Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:55 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: ./Ca3Pb.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 34 10 1634 917 150 Max 51 35 11 1637 936 153 Sum 1829 1257 373 58893 33401 5449 bravais-lattice index = 14 lattice parameter (alat) = 9.1708 a.u. unit-cell volume = 771.3072 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.170840 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 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. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) Ca 10.00 40.07800 Ca( 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= 254 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039370 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039370 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039370 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039370 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039370 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039370 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039370 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039370 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039370 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039370 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039370 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039370 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039370 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039370 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039370 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039370 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039370 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039370 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039370 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039370 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039370 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039370 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039370 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039370 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039370 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039370 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039370 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039370 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039370 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039370 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039370 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039370 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039370 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039370 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039370 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039370 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039370 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039370 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039370 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039370 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039370 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039370 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039370 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039370 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039370 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039370 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039370 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039370 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039370 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039370 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039370 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039370 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039370 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039370 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039370 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039370 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039370 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039370 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039370 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039370 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039370 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039370 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 70) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0039370 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0039370 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0039370 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0039370 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0039370 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0039370 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0039370 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0039370 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0039370 k( 79) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0039370 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0039370 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0039370 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0039370 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0039370 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0039370 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0039370 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0039370 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039370 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0039370 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0039370 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0039370 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0039370 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0039370 k( 93) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0039370 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0039370 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0039370 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0039370 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0039370 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0039370 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0039370 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0039370 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0039370 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0039370 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0039370 k( 104) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0039370 k( 105) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0039370 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0039370 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0039370 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0039370 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0039370 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0039370 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0039370 k( 112) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0039370 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0039370 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0039370 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 117) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039370 k( 118) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039370 k( 119) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039370 k( 120) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039370 k( 121) = ( 0.0438597 0.0438596 0.0438596), wk = 0.0039370 k( 122) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039370 k( 123) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039370 k( 124) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039370 k( 125) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039370 k( 126) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039370 k( 127) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039370 k( 128) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039370 k( 129) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039370 k( 130) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039370 k( 131) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0039370 k( 132) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039370 k( 133) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039370 k( 134) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039370 k( 135) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039370 k( 136) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039370 k( 137) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039370 k( 138) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039370 k( 139) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039370 k( 140) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039370 k( 141) = ( 0.2192983 0.2192982 0.2192982), wk = 0.0039370 k( 142) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039370 k( 143) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039370 k( 144) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039370 k( 145) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039370 k( 146) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039370 k( 147) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039370 k( 148) = ( 0.2807018 0.2807017 0.2807017), wk = 0.0039370 k( 149) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039370 k( 150) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039370 k( 151) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039370 k( 152) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039370 k( 153) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039370 k( 154) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039370 k( 155) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039370 k( 156) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039370 k( 157) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039370 k( 158) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0039370 k( 159) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039370 k( 160) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039370 k( 161) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039370 k( 162) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039370 k( 163) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039370 k( 164) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039370 k( 165) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039370 k( 166) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039370 k( 167) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039370 k( 168) = ( 0.4561404 0.4561403 0.4561403), wk = 0.0039370 k( 169) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039370 k( 170) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039370 k( 171) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039370 k( 172) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039370 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 175) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039370 k( 176) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039370 k( 177) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039370 k( 178) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039370 k( 179) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039370 k( 180) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039370 k( 181) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039370 k( 182) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039370 k( 183) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039370 k( 184) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0039370 k( 185) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039370 k( 186) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039370 k( 187) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039370 k( 188) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039370 k( 189) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039370 k( 190) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039370 k( 191) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039370 k( 192) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039370 k( 193) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039370 k( 194) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039370 k( 195) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039370 k( 196) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039370 k( 197) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039370 k( 198) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039370 k( 199) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039370 k( 200) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039370 k( 201) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039370 k( 202) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039370 k( 203) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039370 k( 204) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039370 k( 205) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039370 k( 206) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039370 k( 207) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039370 k( 208) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039370 k( 209) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039370 k( 210) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0039370 k( 211) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039370 k( 212) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039370 k( 213) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039370 k( 214) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039370 k( 215) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039370 k( 216) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039370 k( 217) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039370 k( 218) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039370 k( 219) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039370 k( 220) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039370 k( 221) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 222) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039370 k( 223) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039370 k( 224) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039370 k( 225) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039370 k( 226) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039370 k( 227) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039370 k( 228) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039370 k( 229) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039370 k( 230) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039370 k( 231) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039370 k( 232) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039370 k( 233) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039370 k( 234) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039370 k( 235) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039370 k( 236) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039370 k( 237) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039370 k( 238) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039370 k( 239) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039370 k( 240) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039370 k( 241) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039370 k( 242) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039370 k( 243) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039370 k( 244) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039370 k( 245) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039370 k( 246) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039370 k( 247) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039370 k( 248) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039370 k( 249) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039370 k( 250) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039370 k( 251) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039370 k( 252) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039370 k( 253) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039370 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039370 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039370 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039370 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039370 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039370 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039370 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039370 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039370 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039370 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039370 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039370 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039370 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039370 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039370 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039370 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039370 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039370 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039370 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039370 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039370 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039370 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039370 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039370 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039370 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039370 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039370 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039370 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039370 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039370 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039370 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039370 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039370 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039370 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039370 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039370 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039370 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039370 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039370 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039370 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039370 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039370 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039370 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039370 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039370 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039370 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039370 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039370 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039370 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039370 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039370 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0039370 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0039370 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0039370 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0039370 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039370 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039370 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039370 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039370 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039370 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039370 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039370 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039370 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039370 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039370 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 70) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0039370 k( 71) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0039370 k( 72) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0039370 k( 73) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0039370 k( 74) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0039370 k( 75) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0039370 k( 76) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0039370 k( 77) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0039370 k( 78) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0039370 k( 79) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0039370 k( 80) = ( 0.3804348 0.3804348 0.0000000), wk = 0.0039370 k( 81) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0039370 k( 82) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0039370 k( 83) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0039370 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0039370 k( 85) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0039370 k( 86) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0039370 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0039370 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0039370 k( 89) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0039370 k( 90) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0039370 k( 91) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0039370 k( 92) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0039370 k( 93) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0039370 k( 94) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0039370 k( 95) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0039370 k( 96) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0039370 k( 97) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0039370 k( 98) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0039370 k( 99) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0039370 k( 100) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0039370 k( 101) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0039370 k( 102) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0039370 k( 103) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0039370 k( 104) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0039370 k( 105) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0039370 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0039370 k( 107) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0039370 k( 108) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0039370 k( 109) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0039370 k( 110) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0039370 k( 111) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0039370 k( 112) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0039370 k( 113) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0039370 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0039370 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 117) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039370 k( 118) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039370 k( 119) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039370 k( 120) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039370 k( 121) = ( 0.0438597 0.0438597 0.0438597), wk = 0.0039370 k( 122) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039370 k( 123) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039370 k( 124) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039370 k( 125) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039370 k( 126) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039370 k( 127) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039370 k( 128) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039370 k( 129) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039370 k( 130) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039370 k( 131) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0039370 k( 132) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039370 k( 133) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039370 k( 134) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039370 k( 135) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039370 k( 136) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039370 k( 137) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039370 k( 138) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039370 k( 139) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039370 k( 140) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039370 k( 141) = ( 0.2192983 0.2192983 0.2192983), wk = 0.0039370 k( 142) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039370 k( 143) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039370 k( 144) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039370 k( 145) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039370 k( 146) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039370 k( 147) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039370 k( 148) = ( 0.2807018 0.2807018 0.2807018), wk = 0.0039370 k( 149) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039370 k( 150) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039370 k( 151) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039370 k( 152) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039370 k( 153) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039370 k( 154) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039370 k( 155) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039370 k( 156) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039370 k( 157) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039370 k( 158) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0039370 k( 159) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039370 k( 160) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039370 k( 161) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039370 k( 162) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039370 k( 163) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039370 k( 164) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039370 k( 165) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039370 k( 166) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039370 k( 167) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039370 k( 168) = ( 0.4561404 0.4561404 0.4561404), wk = 0.0039370 k( 169) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039370 k( 170) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039370 k( 171) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039370 k( 172) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039370 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 175) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0039370 k( 176) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0039370 k( 177) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0039370 k( 178) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0039370 k( 179) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0039370 k( 180) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0039370 k( 181) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0039370 k( 182) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0039370 k( 183) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0039370 k( 184) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0039370 k( 185) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0039370 k( 186) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0039370 k( 187) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0039370 k( 188) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0039370 k( 189) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0039370 k( 190) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0039370 k( 191) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0039370 k( 192) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0039370 k( 193) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0039370 k( 194) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0039370 k( 195) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0039370 k( 196) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0039370 k( 197) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0039370 k( 198) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0039370 k( 199) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0039370 k( 200) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0039370 k( 201) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0039370 k( 202) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0039370 k( 203) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0039370 k( 204) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0039370 k( 205) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0039370 k( 206) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0039370 k( 207) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0039370 k( 208) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0039370 k( 209) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0039370 k( 210) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0039370 k( 211) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0039370 k( 212) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0039370 k( 213) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0039370 k( 214) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0039370 k( 215) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0039370 k( 216) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0039370 k( 217) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0039370 k( 218) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0039370 k( 219) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0039370 k( 220) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 221) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039370 k( 222) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039370 k( 223) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039370 k( 224) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039370 k( 225) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039370 k( 226) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039370 k( 227) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039370 k( 228) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039370 k( 229) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039370 k( 230) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039370 k( 231) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039370 k( 232) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039370 k( 233) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039370 k( 234) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039370 k( 235) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039370 k( 236) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039370 k( 237) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039370 k( 238) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039370 k( 239) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039370 k( 240) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039370 k( 241) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039370 k( 242) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039370 k( 243) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039370 k( 244) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039370 k( 245) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039370 k( 246) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039370 k( 247) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039370 k( 248) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039370 k( 249) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039370 k( 250) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039370 k( 251) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039370 k( 252) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039370 k( 253) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039370 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 Dense grid: 58893 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 33401 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 242, 52) NL pseudopotentials 0.25 Mb ( 121, 136) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1637) G-vector shells 0.00 Mb ( 371) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 242, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Ca3Pb.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.5 secs Computing kpt #: 7 total cpu time spent up to now is 9.5 secs Computing kpt #: 8 total cpu time spent up to now is 10.5 secs Computing kpt #: 9 total cpu time spent up to now is 11.5 secs Computing kpt #: 10 total cpu time spent up to now is 12.6 secs Computing kpt #: 11 total cpu time spent up to now is 13.6 secs Computing kpt #: 12 total cpu time spent up to now is 14.7 secs Computing kpt #: 13 total cpu time spent up to now is 15.7 secs Computing kpt #: 14 total cpu time spent up to now is 17.2 secs Computing kpt #: 15 total cpu time spent up to now is 18.2 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.3 secs Computing kpt #: 18 total cpu time spent up to now is 21.5 secs Computing kpt #: 19 total cpu time spent up to now is 22.5 secs Computing kpt #: 20 total cpu time spent up to now is 23.7 secs Computing kpt #: 21 total cpu time spent up to now is 24.7 secs Computing kpt #: 22 total cpu time spent up to now is 25.9 secs Computing kpt #: 23 total cpu time spent up to now is 27.2 secs Computing kpt #: 24 total cpu time spent up to now is 28.5 secs Computing kpt #: 25 total cpu time spent up to now is 29.6 secs Computing kpt #: 26 total cpu time spent up to now is 30.9 secs Computing kpt #: 27 total cpu time spent up to now is 32.2 secs Computing kpt #: 28 total cpu time spent up to now is 34.0 secs Computing kpt #: 29 total cpu time spent up to now is 35.1 secs Computing kpt #: 30 total cpu time spent up to now is 36.2 secs Computing kpt #: 31 total cpu time spent up to now is 37.3 secs Computing kpt #: 32 total cpu time spent up to now is 38.6 secs Computing kpt #: 33 total cpu time spent up to now is 39.6 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.3 secs Computing kpt #: 35 total cpu time spent up to now is 42.7 secs Computing kpt #: 36 total cpu time spent up to now is 44.2 secs Computing kpt #: 37 total cpu time spent up to now is 45.5 secs Computing kpt #: 38 total cpu time spent up to now is 46.7 secs Computing kpt #: 39 total cpu time spent up to now is 47.7 secs Computing kpt #: 40 total cpu time spent up to now is 48.9 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.7 secs Computing kpt #: 42 total cpu time spent up to now is 52.1 secs Computing kpt #: 43 total cpu time spent up to now is 53.3 secs Computing kpt #: 44 total cpu time spent up to now is 54.2 secs Computing kpt #: 45 total cpu time spent up to now is 55.2 secs Computing kpt #: 46 total cpu time spent up to now is 56.1 secs Computing kpt #: 47 total cpu time spent up to now is 57.0 secs Computing kpt #: 48 total cpu time spent up to now is 57.9 secs Computing kpt #: 49 total cpu time spent up to now is 58.7 secs Computing kpt #: 50 total cpu time spent up to now is 59.7 secs Computing kpt #: 51 total cpu time spent up to now is 60.5 secs Computing kpt #: 52 total cpu time spent up to now is 61.5 secs Computing kpt #: 53 total cpu time spent up to now is 62.4 secs Computing kpt #: 54 total cpu time spent up to now is 63.3 secs Computing kpt #: 55 total cpu time spent up to now is 64.3 secs Computing kpt #: 56 total cpu time spent up to now is 65.3 secs Computing kpt #: 57 total cpu time spent up to now is 66.2 secs Computing kpt #: 58 total cpu time spent up to now is 67.2 secs Computing kpt #: 59 total cpu time spent up to now is 68.2 secs Computing kpt #: 60 total cpu time spent up to now is 69.6 secs Computing kpt #: 61 total cpu time spent up to now is 70.6 secs Computing kpt #: 62 total cpu time spent up to now is 71.6 secs Computing kpt #: 63 total cpu time spent up to now is 72.8 secs Computing kpt #: 64 total cpu time spent up to now is 74.3 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 76.0 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 77.6 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 79.4 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 81.1 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.8 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.5 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.1 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.8 secs Computing kpt #: 73 total cpu time spent up to now is 89.4 secs Computing kpt #: 74 total cpu time spent up to now is 90.9 secs Computing kpt #: 75 total cpu time spent up to now is 92.3 secs Computing kpt #: 76 total cpu time spent up to now is 93.7 secs Computing kpt #: 77 total cpu time spent up to now is 95.1 secs Computing kpt #: 78 total cpu time spent up to now is 96.5 secs Computing kpt #: 79 total cpu time spent up to now is 97.7 secs Computing kpt #: 80 total cpu time spent up to now is 98.9 secs Computing kpt #: 81 total cpu time spent up to now is 100.0 secs Computing kpt #: 82 total cpu time spent up to now is 101.0 secs Computing kpt #: 83 total cpu time spent up to now is 102.2 secs Computing kpt #: 84 total cpu time spent up to now is 103.4 secs Computing kpt #: 85 total cpu time spent up to now is 104.6 secs Computing kpt #: 86 total cpu time spent up to now is 105.8 secs Computing kpt #: 87 total cpu time spent up to now is 106.9 secs Computing kpt #: 88 total cpu time spent up to now is 108.1 secs Computing kpt #: 89 total cpu time spent up to now is 109.3 secs Computing kpt #: 90 total cpu time spent up to now is 110.6 secs Computing kpt #: 91 total cpu time spent up to now is 111.8 secs Computing kpt #: 92 total cpu time spent up to now is 112.8 secs Computing kpt #: 93 total cpu time spent up to now is 113.9 secs Computing kpt #: 94 total cpu time spent up to now is 114.9 secs Computing kpt #: 95 total cpu time spent up to now is 116.0 secs Computing kpt #: 96 total cpu time spent up to now is 116.9 secs Computing kpt #: 97 total cpu time spent up to now is 118.2 secs Computing kpt #: 98 total cpu time spent up to now is 119.4 secs Computing kpt #: 99 total cpu time spent up to now is 120.6 secs Computing kpt #: 100 total cpu time spent up to now is 121.7 secs Computing kpt #: 101 total cpu time spent up to now is 122.9 secs Computing kpt #: 102 total cpu time spent up to now is 124.1 secs Computing kpt #: 103 total cpu time spent up to now is 125.2 secs Computing kpt #: 104 total cpu time spent up to now is 126.4 secs Computing kpt #: 105 total cpu time spent up to now is 127.6 secs Computing kpt #: 106 total cpu time spent up to now is 128.7 secs Computing kpt #: 107 total cpu time spent up to now is 129.7 secs Computing kpt #: 108 total cpu time spent up to now is 130.8 secs Computing kpt #: 109 total cpu time spent up to now is 132.4 secs Computing kpt #: 110 total cpu time spent up to now is 133.4 secs Computing kpt #: 111 total cpu time spent up to now is 134.5 secs Computing kpt #: 112 total cpu time spent up to now is 135.5 secs Computing kpt #: 113 total cpu time spent up to now is 136.5 secs Computing kpt #: 114 total cpu time spent up to now is 137.5 secs Computing kpt #: 115 total cpu time spent up to now is 138.4 secs Computing kpt #: 116 total cpu time spent up to now is 139.4 secs Computing kpt #: 117 total cpu time spent up to now is 140.4 secs Computing kpt #: 118 total cpu time spent up to now is 141.3 secs Computing kpt #: 119 total cpu time spent up to now is 142.3 secs Computing kpt #: 120 total cpu time spent up to now is 143.3 secs Computing kpt #: 121 total cpu time spent up to now is 144.4 secs Computing kpt #: 122 total cpu time spent up to now is 145.6 secs Computing kpt #: 123 total cpu time spent up to now is 146.6 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.3 secs Computing kpt #: 125 total cpu time spent up to now is 149.4 secs Computing kpt #: 126 total cpu time spent up to now is 150.3 secs Computing kpt #: 127 total cpu time spent up to now is 151.3 secs Computing kpt #: 128 total cpu time spent up to now is 152.2 secs Computing kpt #: 129 total cpu time spent up to now is 153.2 secs Computing kpt #: 130 total cpu time spent up to now is 154.1 secs Computing kpt #: 131 total cpu time spent up to now is 155.1 secs Computing kpt #: 132 total cpu time spent up to now is 156.1 secs Computing kpt #: 133 total cpu time spent up to now is 157.1 secs Computing kpt #: 134 total cpu time spent up to now is 158.1 secs Computing kpt #: 135 total cpu time spent up to now is 159.5 secs Computing kpt #: 136 total cpu time spent up to now is 160.8 secs Computing kpt #: 137 total cpu time spent up to now is 161.9 secs Computing kpt #: 138 total cpu time spent up to now is 162.9 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.5 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.1 secs Computing kpt #: 141 total cpu time spent up to now is 167.1 secs Computing kpt #: 142 total cpu time spent up to now is 168.2 secs Computing kpt #: 143 total cpu time spent up to now is 169.3 secs Computing kpt #: 144 total cpu time spent up to now is 170.4 secs Computing kpt #: 145 total cpu time spent up to now is 171.5 secs Computing kpt #: 146 total cpu time spent up to now is 172.6 secs Computing kpt #: 147 total cpu time spent up to now is 173.7 secs Computing kpt #: 148 total cpu time spent up to now is 174.8 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.4 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.1 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 179.7 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.3 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 182.9 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.5 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.1 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.7 secs Computing kpt #: 157 total cpu time spent up to now is 190.0 secs Computing kpt #: 158 total cpu time spent up to now is 191.7 secs Computing kpt #: 159 total cpu time spent up to now is 193.0 secs Computing kpt #: 160 total cpu time spent up to now is 194.3 secs Computing kpt #: 161 total cpu time spent up to now is 195.7 secs Computing kpt #: 162 total cpu time spent up to now is 197.2 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.8 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.4 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 202.0 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.6 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.2 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.8 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 208.4 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.0 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.6 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.2 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.7 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.3 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.9 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.5 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.1 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.7 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.3 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.9 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.5 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.1 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.7 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.3 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.9 secs Computing kpt #: 186 total cpu time spent up to now is 235.2 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.8 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.5 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.1 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.7 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.4 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.0 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.6 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.3 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.9 secs Computing kpt #: 196 total cpu time spent up to now is 251.3 secs Computing kpt #: 197 total cpu time spent up to now is 252.8 secs Computing kpt #: 198 total cpu time spent up to now is 254.1 secs Computing kpt #: 199 total cpu time spent up to now is 255.1 secs Computing kpt #: 200 total cpu time spent up to now is 256.2 secs Computing kpt #: 201 total cpu time spent up to now is 257.2 secs Computing kpt #: 202 total cpu time spent up to now is 258.2 secs Computing kpt #: 203 total cpu time spent up to now is 259.2 secs Computing kpt #: 204 total cpu time spent up to now is 260.2 secs Computing kpt #: 205 total cpu time spent up to now is 261.1 secs Computing kpt #: 206 total cpu time spent up to now is 262.0 secs Computing kpt #: 207 total cpu time spent up to now is 262.9 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.6 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.3 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.8 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.5 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.2 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.0 secs Computing kpt #: 214 total cpu time spent up to now is 276.0 secs Computing kpt #: 215 total cpu time spent up to now is 276.9 secs Computing kpt #: 216 total cpu time spent up to now is 277.9 secs Computing kpt #: 217 total cpu time spent up to now is 278.9 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.5 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.2 secs Computing kpt #: 220 total cpu time spent up to now is 283.4 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.1 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.7 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 288.3 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.9 secs Computing kpt #: 225 total cpu time spent up to now is 291.3 secs Computing kpt #: 226 total cpu time spent up to now is 292.5 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.1 secs Computing kpt #: 228 total cpu time spent up to now is 295.3 secs Computing kpt #: 229 total cpu time spent up to now is 296.5 secs Computing kpt #: 230 total cpu time spent up to now is 297.5 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 299.2 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.8 secs Computing kpt #: 233 total cpu time spent up to now is 301.9 secs Computing kpt #: 234 total cpu time spent up to now is 302.9 secs Computing kpt #: 235 total cpu time spent up to now is 304.1 secs Computing kpt #: 236 total cpu time spent up to now is 305.1 secs Computing kpt #: 237 total cpu time spent up to now is 306.1 secs Computing kpt #: 238 total cpu time spent up to now is 307.2 secs Computing kpt #: 239 total cpu time spent up to now is 308.5 secs Computing kpt #: 240 total cpu time spent up to now is 309.7 secs Computing kpt #: 241 total cpu time spent up to now is 311.3 secs Computing kpt #: 242 total cpu time spent up to now is 312.9 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.5 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.1 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.7 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.3 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.9 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.5 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 324.1 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.7 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.3 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.9 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.4 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 332.0 secs ethr = 2.27E-08, avg # of iterations = 80.8 total cpu time spent up to now is 332.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -32.3262 -32.3262 -32.2515 -32.2515 -32.2515 -32.2515 -13.6685 -13.6685 -13.6685 -13.6685 -13.4836 -13.4836 -13.3209 -13.3209 -13.2488 -13.2488 -13.2488 -13.2488 -13.1650 -13.1650 -13.0421 -13.0421 -13.0421 -13.0421 -8.3670 -8.3670 -8.3670 -8.3670 -5.8193 -5.8193 -5.8187 -5.8187 -5.8187 -5.8187 0.4022 0.4022 6.9326 6.9326 8.0626 8.0626 9.1887 9.1887 9.1887 9.1887 9.2483 9.2483 9.2483 9.2483 9.9745 9.9745 9.9745 9.9745 k = 0.0000 0.0152-0.0000 ( 4160 PWs) bands (ev): -32.3262 -32.3262 -32.2516 -32.2516 -32.2515 -32.2515 -13.6685 -13.6685 -13.6684 -13.6684 -13.4836 -13.4836 -13.3208 -13.3208 -13.2488 -13.2488 -13.2488 -13.2488 -13.1650 -13.1650 -13.0422 -13.0422 -13.0421 -13.0421 -8.3670 -8.3670 -8.3670 -8.3670 -5.8193 -5.8193 -5.8187 -5.8187 -5.8187 -5.8187 0.4032 0.4032 6.9315 6.9315 8.0582 8.0582 9.1267 9.1267 9.1904 9.1904 9.2454 9.2454 9.3124 9.3124 9.9760 9.9760 9.9771 9.9771 k = 0.0000 0.0303-0.0000 ( 4160 PWs) bands (ev): -32.3260 -32.3260 -32.2517 -32.2517 -32.2515 -32.2515 -13.6684 -13.6684 -13.6680 -13.6680 -13.4836 -13.4836 -13.3208 -13.3208 -13.2489 -13.2489 -13.2487 -13.2487 -13.1652 -13.1652 -13.0427 -13.0427 -13.0423 -13.0423 -8.3670 -8.3670 -8.3669 -8.3669 -5.8193 -5.8193 -5.8186 -5.8186 -5.8186 -5.8186 0.4061 0.4061 6.9280 6.9280 8.0452 8.0452 9.0453 9.0453 9.1953 9.1953 9.2366 9.2366 9.3997 9.3997 9.9796 9.9796 9.9846 9.9846 k = 0.0000 0.0455-0.0000 ( 4164 PWs) bands (ev): -32.3259 -32.3259 -32.2519 -32.2519 -32.2515 -32.2515 -13.6682 -13.6682 -13.6674 -13.6674 -13.4836 -13.4836 -13.3208 -13.3208 -13.2490 -13.2490 -13.2485 -13.2485 -13.1653 -13.1653 -13.0437 -13.0437 -13.0427 -13.0427 -8.3669 -8.3669 -8.3668 -8.3668 -5.8192 -5.8192 -5.8186 -5.8186 -5.8184 -5.8184 0.4110 0.4110 6.9217 6.9217 8.0243 8.0243 8.9667 8.9667 9.2033 9.2033 9.2228 9.2228 9.4882 9.4882 9.9842 9.9842 9.9969 9.9969 k = 0.0000 0.0606-0.0000 ( 4180 PWs) bands (ev): -32.3256 -32.3256 -32.2521 -32.2521 -32.2515 -32.2515 -13.6680 -13.6680 -13.6665 -13.6665 -13.4836 -13.4836 -13.3208 -13.3208 -13.2492 -13.2492 -13.2483 -13.2483 -13.1656 -13.1656 -13.0450 -13.0450 -13.0432 -13.0432 -8.3668 -8.3668 -8.3667 -8.3667 -5.8191 -5.8191 -5.8185 -5.8185 -5.8181 -5.8181 0.4178 0.4178 6.9120 6.9120 7.9967 7.9967 8.8927 8.8927 9.2027 9.2027 9.2161 9.2161 9.5755 9.5755 9.9897 9.9897 10.0140 10.0140 k = 0.0000 0.0758-0.0000 ( 4200 PWs) bands (ev): -32.3253 -32.3253 -32.2525 -32.2525 -32.2516 -32.2516 -13.6677 -13.6677 -13.6655 -13.6655 -13.4837 -13.4837 -13.3208 -13.3208 -13.2494 -13.2494 -13.2480 -13.2480 -13.1660 -13.1660 -13.0466 -13.0466 -13.0438 -13.0438 -8.3668 -8.3668 -8.3665 -8.3665 -5.8190 -5.8190 -5.8183 -5.8183 -5.8178 -5.8178 0.4264 0.4264 6.8981 6.8981 7.9640 7.9640 8.8241 8.8241 9.1808 9.1808 9.2303 9.2303 9.6606 9.6606 9.9960 9.9960 10.0355 10.0355 k = 0.0000 0.0909-0.0000 ( 4188 PWs) bands (ev): -32.3248 -32.3248 -32.2529 -32.2529 -32.2515 -32.2515 -13.6673 -13.6673 -13.6640 -13.6640 -13.4837 -13.4837 -13.3207 -13.3207 -13.2495 -13.2495 -13.2476 -13.2476 -13.1664 -13.1664 -13.0485 -13.0485 -13.0445 -13.0445 -8.3667 -8.3667 -8.3663 -8.3663 -5.8189 -5.8189 -5.8181 -5.8181 -5.8175 -5.8175 0.4369 0.4369 6.8789 6.8789 7.9285 7.9285 8.7611 8.7611 9.1552 9.1552 9.2482 9.2482 9.7426 9.7426 10.0035 10.0035 10.0614 10.0614 k = 0.0000 0.1061-0.0000 ( 4192 PWs) bands (ev): -32.3243 -32.3243 -32.2534 -32.2534 -32.2515 -32.2515 -13.6669 -13.6669 -13.6624 -13.6624 -13.4838 -13.4838 -13.3206 -13.3206 -13.2497 -13.2497 -13.2471 -13.2471 -13.1669 -13.1669 -13.0508 -13.0508 -13.0454 -13.0454 -8.3665 -8.3665 -8.3660 -8.3660 -5.8188 -5.8188 -5.8179 -5.8179 -5.8170 -5.8170 0.4492 0.4492 6.8533 6.8533 7.8926 7.8926 8.7036 8.7036 9.1272 9.1272 9.2693 9.2693 9.8209 9.8209 10.0121 10.0121 10.0914 10.0914 k = 0.0000 0.1212-0.0000 ( 4192 PWs) bands (ev): -32.3238 -32.3238 -32.2539 -32.2539 -32.2515 -32.2515 -13.6664 -13.6664 -13.6605 -13.6605 -13.4840 -13.4840 -13.3205 -13.3205 -13.2498 -13.2498 -13.2465 -13.2465 -13.1674 -13.1674 -13.0534 -13.0534 -13.0463 -13.0463 -8.3664 -8.3664 -8.3657 -8.3657 -5.8186 -5.8186 -5.8177 -5.8177 -5.8165 -5.8165 0.4631 0.4631 6.8203 6.8203 7.8589 7.8589 8.6512 8.6512 9.0975 9.0975 9.2935 9.2935 9.8952 9.8952 10.0219 10.0219 10.1254 10.1254 k = 0.0000 0.1364-0.0000 ( 4192 PWs) bands (ev): -32.3232 -32.3232 -32.2545 -32.2545 -32.2515 -32.2515 -13.6659 -13.6659 -13.6583 -13.6583 -13.4842 -13.4842 -13.3204 -13.3204 -13.2499 -13.2499 -13.2459 -13.2459 -13.1680 -13.1680 -13.0564 -13.0564 -13.0474 -13.0474 -8.3662 -8.3662 -8.3654 -8.3654 -5.8185 -5.8185 -5.8174 -5.8174 -5.8160 -5.8160 0.4787 0.4787 6.7790 6.7790 7.8297 7.8297 8.6034 8.6034 9.0666 9.0666 9.3208 9.3208 9.9650 9.9650 10.0328 10.0328 10.1631 10.1631 k = 0.0000 0.1515-0.0000 ( 4188 PWs) bands (ev): -32.3225 -32.3225 -32.2552 -32.2552 -32.2515 -32.2515 -13.6653 -13.6653 -13.6559 -13.6559 -13.4845 -13.4845 -13.3202 -13.3202 -13.2499 -13.2499 -13.2451 -13.2451 -13.1687 -13.1687 -13.0597 -13.0597 -13.0486 -13.0486 -8.3661 -8.3661 -8.3651 -8.3651 -5.8183 -5.8183 -5.8171 -5.8171 -5.8154 -5.8154 0.4958 0.4958 6.7291 6.7291 7.8067 7.8067 8.5599 8.5599 9.0350 9.0350 9.3510 9.3510 10.0302 10.0302 10.0448 10.0448 10.2044 10.2044 k = 0.0000 0.1667-0.0000 ( 4188 PWs) bands (ev): -32.3217 -32.3217 -32.2560 -32.2560 -32.2515 -32.2515 -13.6646 -13.6646 -13.6533 -13.6533 -13.4850 -13.4850 -13.3201 -13.3201 -13.2498 -13.2498 -13.2443 -13.2443 -13.1694 -13.1694 -13.0633 -13.0633 -13.0499 -13.0499 -8.3659 -8.3659 -8.3647 -8.3647 -5.8181 -5.8181 -5.8168 -5.8168 -5.8148 -5.8148 0.5144 0.5144 6.6709 6.6709 7.7908 7.7908 8.5202 8.5202 9.0030 9.0030 9.3841 9.3841 10.0578 10.0578 10.0911 10.0911 10.2491 10.2491 k = 0.0000 0.1818-0.0000 ( 4184 PWs) bands (ev): -32.3209 -32.3209 -32.2567 -32.2567 -32.2515 -32.2515 -13.6639 -13.6639 -13.6504 -13.6504 -13.4855 -13.4855 -13.3199 -13.3199 -13.2496 -13.2496 -13.2434 -13.2434 -13.1702 -13.1702 -13.0672 -13.0672 -13.0513 -13.0513 -8.3657 -8.3657 -8.3643 -8.3643 -5.8179 -5.8179 -5.8165 -5.8165 -5.8141 -5.8141 0.5342 0.5342 6.6052 6.6052 7.7822 7.7822 8.4841 8.4841 8.9711 8.9711 9.4200 9.4200 10.0718 10.0718 10.1478 10.1478 10.2929 10.2929 k = 0.0000 0.1970-0.0000 ( 4180 PWs) bands (ev): -32.3200 -32.3200 -32.2576 -32.2576 -32.2515 -32.2515 -13.6632 -13.6632 -13.6474 -13.6474 -13.4862 -13.4862 -13.3198 -13.3198 -13.2493 -13.2493 -13.2424 -13.2424 -13.1711 -13.1711 -13.0714 -13.0714 -13.0526 -13.0526 -8.3655 -8.3655 -8.3639 -8.3639 -5.8177 -5.8177 -5.8161 -5.8161 -5.8134 -5.8134 0.5553 0.5553 6.5331 6.5331 7.7806 7.7806 8.4513 8.4513 8.9395 8.9395 9.4584 9.4584 10.0868 10.0868 10.2010 10.2010 10.3301 10.3302 k = 0.0000 0.2121-0.0000 ( 4172 PWs) bands (ev): -32.3191 -32.3191 -32.2585 -32.2585 -32.2515 -32.2515 -13.6624 -13.6624 -13.6441 -13.6441 -13.4870 -13.4870 -13.3196 -13.3196 -13.2488 -13.2488 -13.2413 -13.2413 -13.1721 -13.1721 -13.0758 -13.0758 -13.0541 -13.0541 -8.3653 -8.3653 -8.3635 -8.3635 -5.8176 -5.8176 -5.8157 -5.8157 -5.8127 -5.8127 0.5774 0.5774 6.4561 6.4561 7.7850 7.7850 8.4221 8.4221 8.9083 8.9083 9.4994 9.4994 10.1025 10.1025 10.2514 10.2514 10.3675 10.3675 k = 0.0000 0.2273-0.0000 ( 4172 PWs) bands (ev): -32.3181 -32.3181 -32.2595 -32.2595 -32.2515 -32.2515 -13.6617 -13.6617 -13.6407 -13.6407 -13.4880 -13.4880 -13.3194 -13.3194 -13.2481 -13.2481 -13.2401 -13.2401 -13.1731 -13.1731 -13.0805 -13.0805 -13.0556 -13.0556 -8.3651 -8.3651 -8.3630 -8.3630 -5.8174 -5.8174 -5.8153 -5.8153 -5.8120 -5.8120 0.6003 0.6003 6.3757 6.3757 7.7944 7.7944 8.3965 8.3965 8.8779 8.8779 9.5426 9.5426 10.1191 10.1191 10.2996 10.2996 10.4047 10.4047 k = 0.0000 0.2424-0.0000 ( 4180 PWs) bands (ev): -32.3171 -32.3171 -32.2605 -32.2605 -32.2515 -32.2515 -13.6609 -13.6609 -13.6371 -13.6371 -13.4893 -13.4893 -13.3193 -13.3193 -13.2472 -13.2472 -13.2389 -13.2389 -13.1742 -13.1742 -13.0853 -13.0853 -13.0572 -13.0572 -8.3648 -8.3648 -8.3626 -8.3626 -5.8172 -5.8172 -5.8150 -5.8150 -5.8112 -5.8112 0.6240 0.6240 6.2931 6.2931 7.8075 7.8075 8.3748 8.3748 8.8484 8.8484 9.5879 9.5879 10.1363 10.1363 10.3461 10.3461 10.4417 10.4417 k = 0.0000 0.2576-0.0000 ( 4184 PWs) bands (ev): -32.3161 -32.3161 -32.2616 -32.2616 -32.2515 -32.2515 -13.6601 -13.6601 -13.6333 -13.6333 -13.4907 -13.4907 -13.3192 -13.3192 -13.2460 -13.2460 -13.2376 -13.2376 -13.1755 -13.1755 -13.0905 -13.0905 -13.0587 -13.0587 -8.3646 -8.3646 -8.3621 -8.3621 -5.8170 -5.8170 -5.8146 -5.8146 -5.8105 -5.8105 0.6482 0.6482 6.2097 6.2097 7.8229 7.8229 8.3575 8.3575 8.8200 8.8200 9.6350 9.6350 10.1540 10.1540 10.3913 10.3913 10.4783 10.4783 k = 0.0000 0.2727-0.0000 ( 4176 PWs) bands (ev): -32.3150 -32.3150 -32.2626 -32.2626 -32.2515 -32.2515 -13.6594 -13.6594 -13.6294 -13.6294 -13.4923 -13.4923 -13.3191 -13.3191 -13.2446 -13.2446 -13.2362 -13.2362 -13.1767 -13.1767 -13.0957 -13.0957 -13.0603 -13.0603 -8.3644 -8.3644 -8.3617 -8.3617 -5.8168 -5.8168 -5.8142 -5.8142 -5.8098 -5.8098 0.6727 0.6727 6.1266 6.1266 7.8394 7.8394 8.3451 8.3451 8.7927 8.7927 9.6839 9.6839 10.1721 10.1721 10.4352 10.4352 10.5142 10.5142 k = 0.0000 0.2879-0.0000 ( 4176 PWs) bands (ev): -32.3138 -32.3138 -32.2638 -32.2638 -32.2514 -32.2514 -13.6586 -13.6586 -13.6253 -13.6253 -13.4942 -13.4942 -13.3189 -13.3189 -13.2430 -13.2430 -13.2348 -13.2348 -13.1781 -13.1781 -13.1011 -13.1011 -13.0618 -13.0618 -8.3642 -8.3642 -8.3612 -8.3612 -5.8166 -5.8166 -5.8138 -5.8138 -5.8090 -5.8090 0.6974 0.6974 6.0448 6.0448 7.8555 7.8555 8.3383 8.3383 8.7667 8.7667 9.7340 9.7340 10.1906 10.1906 10.4779 10.4779 10.5494 10.5494 k = 0.0000 0.3030-0.0000 ( 4176 PWs) bands (ev): -32.3127 -32.3127 -32.2649 -32.2649 -32.2514 -32.2514 -13.6578 -13.6578 -13.6211 -13.6211 -13.4962 -13.4962 -13.3188 -13.3188 -13.2410 -13.2410 -13.2332 -13.2332 -13.1795 -13.1795 -13.1067 -13.1067 -13.0633 -13.0633 -8.3640 -8.3640 -8.3608 -8.3608 -5.8164 -5.8164 -5.8134 -5.8134 -5.8083 -5.8083 0.7219 0.7219 5.9652 5.9652 7.8701 7.8701 8.3374 8.3374 8.7421 8.7421 9.7851 9.7851 10.2091 10.2091 10.5194 10.5194 10.5837 10.5837 k = 0.0000 0.3182-0.0000 ( 4180 PWs) bands (ev): -32.3115 -32.3115 -32.2661 -32.2661 -32.2514 -32.2514 -13.6571 -13.6571 -13.6168 -13.6168 -13.4985 -13.4985 -13.3188 -13.3188 -13.2388 -13.2388 -13.2316 -13.2316 -13.1810 -13.1810 -13.1123 -13.1123 -13.0648 -13.0648 -8.3638 -8.3638 -8.3604 -8.3604 -5.8162 -5.8162 -5.8130 -5.8130 -5.8076 -5.8076 0.7461 0.7461 5.8885 5.8885 7.8821 7.8821 8.3430 8.3430 8.7190 8.7190 9.8367 9.8367 10.2276 10.2276 10.5594 10.5594 10.6169 10.6169 k = 0.0000 0.3333-0.0000 ( 4200 PWs) bands (ev): -32.3103 -32.3103 -32.2673 -32.2673 -32.2514 -32.2514 -13.6565 -13.6565 -13.6125 -13.6125 -13.5010 -13.5010 -13.3187 -13.3187 -13.2363 -13.2363 -13.2300 -13.2300 -13.1826 -13.1826 -13.1181 -13.1181 -13.0662 -13.0662 -8.3636 -8.3636 -8.3600 -8.3600 -5.8160 -5.8160 -5.8127 -5.8127 -5.8070 -5.8070 0.7696 0.7696 5.8155 5.8155 7.8910 7.8910 8.3547 8.3547 8.6975 8.6975 9.8884 9.8884 10.2458 10.2458 10.5979 10.5979 10.6487 10.6487 k = 0.0000 0.3485-0.0000 ( 4184 PWs) bands (ev): -32.3091 -32.3091 -32.2684 -32.2684 -32.2514 -32.2514 -13.6558 -13.6558 -13.6080 -13.6080 -13.5037 -13.5037 -13.3186 -13.3186 -13.2335 -13.2335 -13.2282 -13.2282 -13.1842 -13.1842 -13.1239 -13.1239 -13.0676 -13.0676 -8.3634 -8.3634 -8.3596 -8.3596 -5.8159 -5.8159 -5.8124 -5.8124 -5.8063 -5.8063 0.7924 0.7924 5.7466 5.7466 7.8968 7.8968 8.3721 8.3721 8.6777 8.6777 9.9397 9.9397 10.2636 10.2636 10.6345 10.6345 10.6791 10.6791 k = 0.0000 0.3636-0.0000 ( 4172 PWs) bands (ev): -32.3079 -32.3079 -32.2696 -32.2696 -32.2514 -32.2514 -13.6551 -13.6551 -13.6036 -13.6036 -13.5064 -13.5064 -13.3186 -13.3186 -13.2304 -13.2304 -13.2264 -13.2264 -13.1859 -13.1859 -13.1297 -13.1297 -13.0687 -13.0687 -8.3632 -8.3632 -8.3593 -8.3593 -5.8157 -5.8157 -5.8120 -5.8120 -5.8058 -5.8058 0.8139 0.8139 5.6826 5.6826 7.8996 7.8996 8.3941 8.3941 8.6595 8.6595 9.9900 9.9900 10.2808 10.2808 10.6687 10.6687 10.7078 10.7078 k = 0.0000 0.3788-0.0000 ( 4168 PWs) bands (ev): -32.3068 -32.3068 -32.2707 -32.2707 -32.2514 -32.2514 -13.6546 -13.6546 -13.5992 -13.5992 -13.5094 -13.5094 -13.3185 -13.3185 -13.2271 -13.2271 -13.2245 -13.2245 -13.1876 -13.1876 -13.1355 -13.1355 -13.0698 -13.0698 -8.3631 -8.3631 -8.3590 -8.3590 -5.8156 -5.8156 -5.8118 -5.8118 -5.8052 -5.8052 0.8341 0.8341 5.6239 5.6239 7.9002 7.9002 8.4193 8.4193 8.6431 8.6431 10.0385 10.0385 10.2970 10.2970 10.6994 10.6994 10.7344 10.7344 k = 0.0000 0.3939-0.0000 ( 4176 PWs) bands (ev): -32.3057 -32.3057 -32.2719 -32.2719 -32.2514 -32.2514 -13.6540 -13.6540 -13.5949 -13.5949 -13.5125 -13.5125 -13.3185 -13.3185 -13.2235 -13.2235 -13.2227 -13.2227 -13.1893 -13.1893 -13.1414 -13.1414 -13.0709 -13.0709 -8.3629 -8.3629 -8.3587 -8.3587 -5.8154 -5.8154 -5.8115 -5.8115 -5.8047 -5.8047 0.8527 0.8527 5.5709 5.5709 7.8991 7.8991 8.4463 8.4463 8.6286 8.6286 10.0844 10.0844 10.3121 10.3121 10.7236 10.7236 10.7589 10.7589 k = 0.0000 0.4091-0.0000 ( 4180 PWs) bands (ev): -32.3046 -32.3046 -32.2729 -32.2729 -32.2514 -32.2514 -13.6536 -13.6536 -13.5907 -13.5907 -13.5156 -13.5156 -13.3185 -13.3185 -13.2209 -13.2209 -13.2198 -13.2198 -13.1911 -13.1911 -13.1471 -13.1471 -13.0718 -13.0718 -8.3628 -8.3628 -8.3584 -8.3584 -5.8153 -5.8153 -5.8113 -5.8113 -5.8043 -5.8043 0.8694 0.8694 5.5241 5.5241 7.8970 7.8970 8.4737 8.4737 8.6159 8.6159 10.1270 10.1270 10.3258 10.3258 10.7314 10.7314 10.7808 10.7809 k = 0.0000 0.4242-0.0000 ( 4180 PWs) bands (ev): -32.3037 -32.3037 -32.2738 -32.2738 -32.2514 -32.2514 -13.6532 -13.6532 -13.5867 -13.5867 -13.5186 -13.5186 -13.3185 -13.3185 -13.2190 -13.2190 -13.2160 -13.2160 -13.1929 -13.1929 -13.1526 -13.1526 -13.0726 -13.0726 -8.3627 -8.3627 -8.3582 -8.3582 -5.8152 -5.8152 -5.8111 -5.8111 -5.8039 -5.8039 0.8839 0.8839 5.4839 5.4839 7.8943 7.8943 8.4998 8.4998 8.6051 8.6051 10.1653 10.1653 10.3379 10.3379 10.7172 10.7172 10.7998 10.7998 k = 0.0000 0.4394-0.0000 ( 4164 PWs) bands (ev): -32.3028 -32.3028 -32.2747 -32.2747 -32.2514 -32.2514 -13.6528 -13.6528 -13.5831 -13.5831 -13.5214 -13.5214 -13.3185 -13.3185 -13.2172 -13.2172 -13.2121 -13.2121 -13.1945 -13.1945 -13.1578 -13.1578 -13.0733 -13.0733 -8.3626 -8.3626 -8.3580 -8.3580 -5.8151 -5.8151 -5.8109 -5.8109 -5.8036 -5.8036 0.8962 0.8962 5.4505 5.4505 7.8917 7.8917 8.5234 8.5234 8.5962 8.5962 10.1984 10.1984 10.3481 10.3481 10.6953 10.6953 10.8162 10.8167 k = 0.0000 0.4545-0.0000 ( 4168 PWs) bands (ev): -32.3021 -32.3021 -32.2754 -32.2754 -32.2514 -32.2514 -13.6526 -13.6526 -13.5799 -13.5799 -13.5240 -13.5240 -13.3185 -13.3185 -13.2156 -13.2156 -13.2084 -13.2084 -13.1961 -13.1961 -13.1625 -13.1625 -13.0738 -13.0738 -8.3625 -8.3625 -8.3579 -8.3579 -5.8151 -5.8151 -5.8108 -5.8108 -5.8034 -5.8034 0.9059 0.9059 5.4243 5.4243 7.8893 7.8893 8.5432 8.5432 8.5893 8.5893 10.2253 10.2253 10.3563 10.3563 10.6740 10.6740 10.8290 10.8291 k = 0.0000 0.4697-0.0000 ( 4164 PWs) bands (ev): -32.3016 -32.3016 -32.2759 -32.2759 -32.2514 -32.2514 -13.6524 -13.6524 -13.5775 -13.5775 -13.5260 -13.5260 -13.3185 -13.3185 -13.2143 -13.2143 -13.2052 -13.2052 -13.1974 -13.1974 -13.1665 -13.1665 -13.0741 -13.0741 -8.3625 -8.3625 -8.3578 -8.3578 -5.8150 -5.8150 -5.8107 -5.8107 -5.8032 -5.8032 0.9129 0.9129 5.4054 5.4054 7.8875 7.8875 8.5581 8.5581 8.5843 8.5843 10.2452 10.2452 10.3623 10.3623 10.6568 10.6568 10.8384 10.8387 k = 0.0000 0.4848-0.0000 ( 4164 PWs) bands (ev): -32.3013 -32.3013 -32.2762 -32.2762 -32.2514 -32.2514 -13.6523 -13.6523 -13.5759 -13.5759 -13.5273 -13.5273 -13.3185 -13.3185 -13.2134 -13.2134 -13.2028 -13.2028 -13.1983 -13.1983 -13.1693 -13.1693 -13.0743 -13.0743 -8.3625 -8.3625 -8.3577 -8.3577 -5.8150 -5.8150 -5.8106 -5.8106 -5.8031 -5.8031 0.9172 0.9172 5.3940 5.3940 7.8863 7.8863 8.5675 8.5675 8.5813 8.5813 10.2575 10.2575 10.3659 10.3659 10.6457 10.6457 10.8440 10.8441 k = 0.0000 0.5000-0.0000 ( 4140 PWs) bands (ev): -32.3011 -32.3011 -32.2763 -32.2763 -32.2514 -32.2514 -13.6522 -13.6522 -13.5753 -13.5753 -13.5276 -13.5276 -13.3185 -13.3185 -13.2130 -13.2130 -13.2019 -13.2019 -13.1986 -13.1986 -13.1703 -13.1703 -13.0743 -13.0743 -8.3624 -8.3624 -8.3577 -8.3577 -5.8150 -5.8150 -5.8106 -5.8106 -5.8030 -5.8030 0.9186 0.9186 5.3902 5.3902 7.8859 7.8859 8.5706 8.5706 8.5804 8.5804 10.2616 10.2616 10.3672 10.3672 10.6419 10.6419 10.8460 10.8476 k = 0.0000 0.5000-0.0000 ( 4140 PWs) bands (ev): -32.3011 -32.3011 -32.2763 -32.2763 -32.2514 -32.2514 -13.6522 -13.6522 -13.5753 -13.5753 -13.5276 -13.5276 -13.3185 -13.3185 -13.2130 -13.2130 -13.2019 -13.2019 -13.1986 -13.1986 -13.1703 -13.1703 -13.0743 -13.0743 -8.3624 -8.3624 -8.3577 -8.3577 -5.8150 -5.8150 -5.8106 -5.8106 -5.8030 -5.8030 0.9186 0.9186 5.3902 5.3902 7.8859 7.8859 8.5706 8.5706 8.5804 8.5804 10.2616 10.2616 10.3672 10.3672 10.6419 10.6419 10.8460 10.8460 k = 0.0152 0.5000-0.0000 ( 4162 PWs) bands (ev): -32.3011 -32.3011 -32.2764 -32.2764 -32.2514 -32.2514 -13.6522 -13.6522 -13.5754 -13.5754 -13.5278 -13.5278 -13.3184 -13.3184 -13.2137 -13.2137 -13.2018 -13.2018 -13.1981 -13.1981 -13.1701 -13.1701 -13.0745 -13.0745 -8.3624 -8.3624 -8.3577 -8.3577 -5.8150 -5.8150 -5.8106 -5.8106 -5.8030 -5.8030 0.9192 0.9192 5.3916 5.3916 7.8829 7.8829 8.5702 8.5702 8.5761 8.5761 10.2640 10.2640 10.3665 10.3665 10.6490 10.6490 10.8439 10.8439 k = 0.0303 0.5000-0.0000 ( 4174 PWs) bands (ev): -32.3010 -32.3010 -32.2764 -32.2764 -32.2515 -32.2515 -13.6520 -13.6520 -13.5758 -13.5758 -13.5281 -13.5281 -13.3182 -13.3182 -13.2156 -13.2156 -13.2018 -13.2018 -13.1967 -13.1967 -13.1695 -13.1695 -13.0748 -13.0748 -8.3624 -8.3624 -8.3577 -8.3577 -5.8149 -5.8149 -5.8106 -5.8106 -5.8030 -5.8030 0.9208 0.9208 5.3959 5.3959 7.8737 7.8737 8.5594 8.5594 8.5733 8.5733 10.2708 10.2708 10.3652 10.3652 10.6702 10.6702 10.8342 10.8342 k = 0.0455 0.5000-0.0000 ( 4174 PWs) bands (ev): -32.3009 -32.3009 -32.2764 -32.2764 -32.2516 -32.2516 -13.6517 -13.6517 -13.5763 -13.5763 -13.5285 -13.5285 -13.3179 -13.3179 -13.2180 -13.2180 -13.2018 -13.2018 -13.1949 -13.1949 -13.1685 -13.1685 -13.0751 -13.0751 -8.3624 -8.3624 -8.3577 -8.3577 -5.8149 -5.8149 -5.8106 -5.8106 -5.8030 -5.8030 0.9235 0.9235 5.4031 5.4031 7.8581 7.8581 8.5370 8.5370 8.5748 8.5748 10.2810 10.2810 10.3631 10.3631 10.7051 10.7051 10.8172 10.8172 k = 0.0606 0.5000-0.0000 ( 4174 PWs) bands (ev): -32.3007 -32.3007 -32.2763 -32.2763 -32.2518 -32.2518 -13.6513 -13.6513 -13.5770 -13.5770 -13.5291 -13.5291 -13.3174 -13.3174 -13.2208 -13.2208 -13.2019 -13.2019 -13.1929 -13.1929 -13.1669 -13.1669 -13.0756 -13.0756 -8.3623 -8.3623 -8.3577 -8.3577 -5.8148 -5.8148 -5.8106 -5.8106 -5.8030 -5.8030 0.9272 0.9272 5.4131 5.4131 7.8355 7.8355 8.5085 8.5085 8.5772 8.5772 10.2933 10.2933 10.3602 10.3602 10.7521 10.7521 10.7950 10.7950 k = 0.0758 0.5000-0.0000 ( 4184 PWs) bands (ev): -32.3005 -32.3005 -32.2763 -32.2763 -32.2520 -32.2520 -13.6509 -13.6509 -13.5780 -13.5780 -13.5299 -13.5299 -13.3168 -13.3168 -13.2238 -13.2238 -13.2021 -13.2021 -13.1911 -13.1911 -13.1650 -13.1650 -13.0762 -13.0762 -8.3622 -8.3622 -8.3577 -8.3577 -5.8147 -5.8147 -5.8106 -5.8106 -5.8029 -5.8029 0.9320 0.9320 5.4259 5.4259 7.8056 7.8056 8.4765 8.4765 8.5800 8.5800 10.3070 10.3070 10.3566 10.3566 10.7635 10.7635 10.8148 10.8148 k = 0.0909 0.5000-0.0000 ( 4184 PWs) bands (ev): -32.3001 -32.3001 -32.2763 -32.2763 -32.2524 -32.2524 -13.6503 -13.6503 -13.5790 -13.5790 -13.5308 -13.5308 -13.3161 -13.3161 -13.2267 -13.2267 -13.2023 -13.2023 -13.1894 -13.1894 -13.1627 -13.1627 -13.0768 -13.0768 -8.3621 -8.3621 -8.3577 -8.3577 -5.8146 -5.8146 -5.8105 -5.8105 -5.8029 -5.8029 0.9377 0.9377 5.4415 5.4415 7.7680 7.7680 8.4435 8.4435 8.5833 8.5833 10.3212 10.3212 10.3524 10.3524 10.7321 10.7321 10.8734 10.8737 k = 0.1061 0.5000-0.0000 ( 4188 PWs) bands (ev): -32.2998 -32.2998 -32.2763 -32.2763 -32.2527 -32.2527 -13.6496 -13.6496 -13.5803 -13.5803 -13.5318 -13.5318 -13.3152 -13.3152 -13.2297 -13.2297 -13.2025 -13.2025 -13.1879 -13.1879 -13.1600 -13.1600 -13.0776 -13.0776 -8.3620 -8.3620 -8.3578 -8.3578 -5.8145 -5.8145 -5.8105 -5.8105 -5.8028 -5.8028 0.9444 0.9444 5.4597 5.4597 7.7225 7.7225 8.4113 8.4113 8.5868 8.5868 10.3358 10.3358 10.3478 10.3478 10.6969 10.6969 10.8887 10.8887 k = 0.1212 0.5000-0.0000 ( 4198 PWs) bands (ev): -32.2994 -32.2994 -32.2763 -32.2763 -32.2531 -32.2531 -13.6488 -13.6488 -13.5818 -13.5818 -13.5331 -13.5331 -13.3142 -13.3142 -13.2327 -13.2327 -13.2027 -13.2027 -13.1867 -13.1867 -13.1571 -13.1571 -13.0786 -13.0786 -8.3619 -8.3619 -8.3578 -8.3578 -5.8144 -5.8144 -5.8104 -5.8104 -5.8027 -5.8027 0.9521 0.9521 5.4805 5.4805 7.6697 7.6697 8.3815 8.3815 8.5902 8.5902 10.3427 10.3427 10.3505 10.3505 10.6595 10.6595 10.9007 10.9007 k = 0.1364 0.5000-0.0000 ( 4198 PWs) bands (ev): -32.2989 -32.2989 -32.2763 -32.2763 -32.2536 -32.2536 -13.6479 -13.6479 -13.5833 -13.5833 -13.5344 -13.5344 -13.3130 -13.3130 -13.2355 -13.2355 -13.2030 -13.2030 -13.1856 -13.1856 -13.1540 -13.1540 -13.0795 -13.0795 -8.3618 -8.3618 -8.3578 -8.3578 -5.8144 -5.8144 -5.8103 -5.8103 -5.8026 -5.8026 0.9605 0.9605 5.5039 5.5039 7.6102 7.6102 8.3546 8.3546 8.5932 8.5932 10.3373 10.3373 10.3653 10.3653 10.6209 10.6209 10.9134 10.9134 k = 0.1515 0.5000-0.0000 ( 4196 PWs) bands (ev): -32.2984 -32.2984 -32.2763 -32.2763 -32.2541 -32.2541 -13.6469 -13.6469 -13.5850 -13.5850 -13.5359 -13.5359 -13.3117 -13.3117 -13.2383 -13.2383 -13.2032 -13.2032 -13.1846 -13.1846 -13.1507 -13.1507 -13.0806 -13.0806 -8.3616 -8.3616 -8.3579 -8.3579 -5.8143 -5.8143 -5.8102 -5.8102 -5.8025 -5.8025 0.9698 0.9698 5.5296 5.5296 7.5451 7.5451 8.3308 8.3308 8.5957 8.5957 10.3316 10.3316 10.3801 10.3801 10.5821 10.5821 10.9271 10.9271 k = 0.1667 0.5000-0.0000 ( 4192 PWs) bands (ev): -32.2978 -32.2978 -32.2763 -32.2763 -32.2547 -32.2547 -13.6458 -13.6458 -13.5867 -13.5867 -13.5375 -13.5375 -13.3102 -13.3102 -13.2410 -13.2410 -13.2035 -13.2035 -13.1839 -13.1839 -13.1472 -13.1472 -13.0817 -13.0817 -8.3614 -8.3614 -8.3579 -8.3579 -5.8143 -5.8143 -5.8100 -5.8100 -5.8024 -5.8024 0.9798 0.9798 5.5576 5.5576 7.4758 7.4758 8.3100 8.3100 8.5971 8.5971 10.3258 10.3258 10.3948 10.3948 10.5439 10.5439 10.9415 10.9415 k = 0.1818 0.5000-0.0000 ( 4204 PWs) bands (ev): -32.2972 -32.2972 -32.2763 -32.2763 -32.2553 -32.2553 -13.6446 -13.6446 -13.5886 -13.5886 -13.5393 -13.5393 -13.3087 -13.3087 -13.2437 -13.2437 -13.2038 -13.2038 -13.1833 -13.1833 -13.1438 -13.1438 -13.0828 -13.0828 -8.3613 -8.3613 -8.3579 -8.3579 -5.8143 -5.8143 -5.8098 -5.8098 -5.8022 -5.8022 0.9905 0.9905 5.5877 5.5877 7.4034 7.4034 8.2919 8.2919 8.5971 8.5971 10.3199 10.3199 10.4092 10.4092 10.5070 10.5070 10.9566 10.9566 k = 0.1970 0.5000-0.0000 ( 4204 PWs) bands (ev): -32.2965 -32.2965 -32.2763 -32.2763 -32.2559 -32.2559 -13.6434 -13.6434 -13.5906 -13.5906 -13.5411 -13.5411 -13.3070 -13.3070 -13.2462 -13.2462 -13.2040 -13.2040 -13.1829 -13.1829 -13.1403 -13.1403 -13.0839 -13.0839 -8.3611 -8.3611 -8.3580 -8.3580 -5.8144 -5.8144 -5.8096 -5.8096 -5.8021 -5.8021 1.0018 1.0018 5.6197 5.6197 7.3292 7.3292 8.2759 8.2759 8.5953 8.5953 10.3140 10.3140 10.4231 10.4231 10.4724 10.4724 10.9722 10.9722 k = 0.2121 0.5000-0.0000 ( 4208 PWs) bands (ev): -32.2958 -32.2958 -32.2763 -32.2763 -32.2566 -32.2566 -13.6420 -13.6420 -13.5925 -13.5925 -13.5431 -13.5431 -13.3052 -13.3052 -13.2486 -13.2486 -13.2043 -13.2043 -13.1827 -13.1827 -13.1369 -13.1369 -13.0851 -13.0851 -8.3609 -8.3609 -8.3580 -8.3580 -5.8145 -5.8145 -5.8093 -5.8093 -5.8019 -5.8019 1.0135 1.0135 5.6534 5.6534 7.2544 7.2544 8.2619 8.2619 8.5912 8.5912 10.3082 10.3082 10.4363 10.4363 10.4407 10.4407 10.9883 10.9883 k = 0.2273 0.5000-0.0000 ( 4204 PWs) bands (ev): -32.2950 -32.2950 -32.2763 -32.2763 -32.2574 -32.2574 -13.6406 -13.6406 -13.5945 -13.5945 -13.5451 -13.5451 -13.3032 -13.3032 -13.2509 -13.2509 -13.2046 -13.2046 -13.1826 -13.1826 -13.1335 -13.1335 -13.0862 -13.0862 -8.3607 -8.3607 -8.3581 -8.3581 -5.8146 -5.8146 -5.8090 -5.8090 -5.8017 -5.8017 1.0257 1.0257 5.6887 5.6887 7.1799 7.1799 8.2493 8.2493 8.5845 8.5845 10.3025 10.3025 10.4125 10.4125 10.4488 10.4488 11.0046 11.0047 k = 0.2424 0.5000-0.0000 ( 4200 PWs) bands (ev): -32.2942 -32.2942 -32.2762 -32.2762 -32.2582 -32.2582 -13.6391 -13.6391 -13.5965 -13.5965 -13.5472 -13.5472 -13.3012 -13.3012 -13.2531 -13.2531 -13.2048 -13.2048 -13.1827 -13.1827 -13.1302 -13.1302 -13.0873 -13.0873 -8.3605 -8.3605 -8.3581 -8.3581 -5.8147 -5.8147 -5.8088 -5.8088 -5.8015 -5.8015 1.0382 1.0382 5.7251 5.7251 7.1067 7.1067 8.2380 8.2380 8.5748 8.5748 10.2970 10.2970 10.3885 10.3885 10.4602 10.4602 11.0212 11.0212 k = 0.2576 0.5000-0.0000 ( 4200 PWs) bands (ev): -32.2934 -32.2934 -32.2762 -32.2762 -32.2590 -32.2590 -13.6376 -13.6376 -13.5985 -13.5985 -13.5494 -13.5494 -13.2990 -13.2990 -13.2551 -13.2551 -13.2051 -13.2051 -13.1830 -13.1830 -13.1269 -13.1269 -13.0883 -13.0883 -8.3604 -8.3604 -8.3582 -8.3582 -5.8148 -5.8148 -5.8085 -5.8085 -5.8012 -5.8012 1.0508 1.0508 5.7624 5.7624 7.0355 7.0355 8.2276 8.2276 8.5619 8.5619 10.2916 10.2916 10.3691 10.3691 10.4703 10.4703 11.0379 11.0379 k = 0.2727 0.5000-0.0000 ( 4204 PWs) bands (ev): -32.2925 -32.2925 -32.2762 -32.2762 -32.2599 -32.2599 -13.6360 -13.6360 -13.6005 -13.6005 -13.5516 -13.5516 -13.2968 -13.2968 -13.2571 -13.2571 -13.2053 -13.2053 -13.1834 -13.1834 -13.1238 -13.1238 -13.0893 -13.0893 -8.3602 -8.3602 -8.3582 -8.3582 -5.8150 -5.8150 -5.8082 -5.8082 -5.8010 -5.8010 1.0636 1.0636 5.8002 5.8002 6.9671 6.9671 8.2182 8.2182 8.5455 8.5455 10.2865 10.2865 10.3548 10.3548 10.4792 10.4792 11.0545 11.0545 k = 0.2879 0.5000-0.0000 ( 4198 PWs) bands (ev): -32.2916 -32.2916 -32.2762 -32.2762 -32.2608 -32.2608 -13.6343 -13.6343 -13.6024 -13.6024 -13.5539 -13.5539 -13.2945 -13.2945 -13.2589 -13.2589 -13.2055 -13.2055 -13.1841 -13.1841 -13.1209 -13.1209 -13.0902 -13.0902 -8.3600 -8.3600 -8.3582 -8.3582 -5.8151 -5.8151 -5.8079 -5.8079 -5.8007 -5.8007 1.0763 1.0763 5.8380 5.8380 6.9023 6.9023 8.2095 8.2095 8.5257 8.5257 10.2816 10.2816 10.3457 10.3457 10.4866 10.4866 11.0709 11.0709 k = 0.3030 0.5000-0.0000 ( 4202 PWs) bands (ev): -32.2906 -32.2906 -32.2762 -32.2762 -32.2617 -32.2617 -13.6326 -13.6326 -13.6043 -13.6043 -13.5562 -13.5562 -13.2921 -13.2921 -13.2606 -13.2606 -13.2058 -13.2058 -13.1849 -13.1849 -13.1180 -13.1180 -13.0910 -13.0910 -8.3598 -8.3598 -8.3583 -8.3583 -5.8153 -5.8153 -5.8077 -5.8077 -5.8005 -5.8005 1.0888 1.0888 5.8753 5.8753 6.8417 6.8417 8.2014 8.2014 8.5026 8.5026 10.2770 10.2770 10.3417 10.3417 10.4926 10.4926 11.0869 11.0869 k = 0.3182 0.5000-0.0000 ( 4208 PWs) bands (ev): -32.2896 -32.2896 -32.2762 -32.2762 -32.2627 -32.2627 -13.6309 -13.6309 -13.6061 -13.6061 -13.5586 -13.5586 -13.2897 -13.2897 -13.2622 -13.2622 -13.2060 -13.2060 -13.1859 -13.1859 -13.1153 -13.1153 -13.0918 -13.0918 -8.3596 -8.3596 -8.3583 -8.3583 -5.8155 -5.8155 -5.8075 -5.8075 -5.8002 -5.8002 1.1011 1.1011 5.9114 5.9114 6.7859 6.7859 8.1939 8.1939 8.4765 8.4765 10.2727 10.2727 10.3428 10.3428 10.4972 10.4972 11.1026 11.1026 k = 0.3333 0.5000-0.0000 ( 4208 PWs) bands (ev): -32.2886 -32.2886 -32.2762 -32.2762 -32.2637 -32.2637 -13.6292 -13.6292 -13.6078 -13.6078 -13.5608 -13.5608 -13.2873 -13.2873 -13.2637 -13.2637 -13.2062 -13.2062 -13.1870 -13.1870 -13.1128 -13.1128 -13.0924 -13.0924 -8.3595 -8.3595 -8.3584 -8.3584 -5.8156 -5.8156 -5.8072 -5.8072 -5.7999 -5.7999 1.1130 1.1130 5.9457 5.9457 6.7357 6.7357 8.1869 8.1869 8.4479 8.4479 10.2687 10.2687 10.3485 10.3485 10.5006 10.5006 11.1176 11.1177 k = 0.3485 0.5000-0.0000 ( 4192 PWs) bands (ev): -32.2876 -32.2876 -32.2761 -32.2761 -32.2647 -32.2647 -13.6274 -13.6274 -13.6094 -13.6094 -13.5631 -13.5631 -13.2848 -13.2848 -13.2650 -13.2650 -13.2063 -13.2063 -13.1883 -13.1883 -13.1105 -13.1105 -13.0930 -13.0930 -8.3593 -8.3593 -8.3584 -8.3584 -5.8158 -5.8158 -5.8070 -5.8070 -5.7996 -5.7996 1.1244 1.1244 5.9773 5.9773 6.6918 6.6918 8.1804 8.1804 8.4175 8.4175 10.2650 10.2650 10.3584 10.3584 10.5030 10.5030 11.1320 11.1320 k = 0.3636 0.5000-0.0000 ( 4194 PWs) bands (ev): -32.2865 -32.2865 -32.2761 -32.2761 -32.2658 -32.2658 -13.6258 -13.6258 -13.6109 -13.6109 -13.5653 -13.5653 -13.2825 -13.2825 -13.2662 -13.2662 -13.2065 -13.2065 -13.1896 -13.1896 -13.1083 -13.1083 -13.0935 -13.0935 -8.3592 -8.3592 -8.3584 -8.3584 -5.8159 -5.8159 -5.8069 -5.8069 -5.7994 -5.7994 1.1351 1.1351 6.0053 6.0053 6.6547 6.6547 8.1743 8.1743 8.3859 8.3859 10.2617 10.2617 10.3716 10.3716 10.5044 10.5044 11.1455 11.1455 k = 0.3788 0.5000-0.0000 ( 4202 PWs) bands (ev): -32.2854 -32.2854 -32.2761 -32.2761 -32.2669 -32.2669 -13.6241 -13.6241 -13.6122 -13.6122 -13.5675 -13.5675 -13.2802 -13.2802 -13.2673 -13.2673 -13.2066 -13.2066 -13.1911 -13.1911 -13.1064 -13.1064 -13.0939 -13.0939 -8.3590 -8.3590 -8.3585 -8.3585 -5.8161 -5.8161 -5.8067 -5.8067 -5.7991 -5.7991 1.1451 1.1451 6.0290 6.0290 6.6249 6.6249 8.1687 8.1687 8.3540 8.3540 10.2586 10.2586 10.3874 10.3874 10.5051 10.5051 11.1580 11.1580 k = 0.3939 0.5000-0.0000 ( 4208 PWs) bands (ev): -32.2843 -32.2843 -32.2761 -32.2761 -32.2680 -32.2680 -13.6226 -13.6226 -13.6134 -13.6134 -13.5696 -13.5696 -13.2780 -13.2780 -13.2683 -13.2683 -13.2068 -13.2068 -13.1925 -13.1925 -13.1047 -13.1047 -13.0942 -13.0942 -8.3589 -8.3589 -8.3585 -8.3585 -5.8162 -5.8162 -5.8066 -5.8066 -5.7989 -5.7989 1.1542 1.1542 6.0479 6.0479 6.6026 6.6026 8.1634 8.1634 8.3229 8.3229 10.2560 10.2560 10.4047 10.4047 10.5055 10.5055 11.1694 11.1694 k = 0.4091 0.5000-0.0000 ( 4204 PWs) bands (ev): -32.2832 -32.2832 -32.2761 -32.2761 -32.2691 -32.2691 -13.6211 -13.6211 -13.6143 -13.6143 -13.5715 -13.5715 -13.2760 -13.2760 -13.2691 -13.2691 -13.2069 -13.2069 -13.1939 -13.1939 -13.1032 -13.1032 -13.0945 -13.0945 -8.3588 -8.3588 -8.3585 -8.3585 -5.8163 -5.8163 -5.8064 -5.8064 -5.7987 -5.7987 1.1623 1.1623 6.0618 6.0618 6.5874 6.5874 8.1583 8.1583 8.2936 8.2936 10.2536 10.2536 10.4226 10.4226 10.5059 10.5059 11.1795 11.1795 k = 0.4242 0.5000-0.0000 ( 4204 PWs) bands (ev): -32.2820 -32.2820 -32.2761 -32.2761 -32.2702 -32.2702 -13.6199 -13.6199 -13.6150 -13.6150 -13.5732 -13.5732 -13.2743 -13.2743 -13.2697 -13.2697 -13.2070 -13.2070 -13.1952 -13.1952 -13.1019 -13.1019 -13.0947 -13.0947 -8.3588 -8.3588 -8.3585 -8.3585 -5.8164 -5.8164 -5.8064 -5.8064 -5.7985 -5.7985 1.1694 1.1694 6.0711 6.0711 6.5785 6.5785 8.1535 8.1535 8.2671 8.2671 10.2517 10.2517 10.4395 10.4395 10.5067 10.5067 11.1882 11.1882 k = 0.4394 0.5000-0.0000 ( 4196 PWs) bands (ev): -32.2808 -32.2808 -32.2761 -32.2761 -32.2714 -32.2714 -13.6191 -13.6191 -13.6154 -13.6154 -13.5747 -13.5747 -13.2728 -13.2728 -13.2701 -13.2701 -13.2071 -13.2071 -13.1964 -13.1964 -13.1009 -13.1009 -13.0948 -13.0948 -8.3587 -8.3587 -8.3584 -8.3584 -5.8165 -5.8165 -5.8063 -5.8063 -5.7983 -5.7983 1.1753 1.1753 6.0765 6.0765 6.5744 6.5744 8.1488 8.1488 8.2445 8.2445 10.2501 10.2501 10.4542 10.4542 10.5083 10.5083 11.1953 11.1953 k = 0.4545 0.5000-0.0000 ( 4200 PWs) bands (ev): -32.2797 -32.2797 -32.2761 -32.2761 -32.2726 -32.2726 -13.6187 -13.6187 -13.6153 -13.6153 -13.5760 -13.5760 -13.2721 -13.2721 -13.2700 -13.2700 -13.2071 -13.2071 -13.1974 -13.1974 -13.1001 -13.1001 -13.0949 -13.0949 -8.3587 -8.3587 -8.3584 -8.3584 -5.8165 -5.8165 -5.8062 -5.8062 -5.7982 -5.7982 1.1800 1.1800 6.0791 6.0791 6.5736 6.5736 8.1443 8.1443 8.2266 8.2266 10.2488 10.2488 10.4653 10.4653 10.5110 10.5110 11.2011 11.2020 k = 0.4697 0.5000-0.0000 ( 4208 PWs) bands (ev): -32.2785 -32.2785 -32.2761 -32.2761 -32.2737 -32.2737 -13.6187 -13.6187 -13.6150 -13.6150 -13.5770 -13.5770 -13.2719 -13.2719 -13.2695 -13.2695 -13.2072 -13.2072 -13.1981 -13.1981 -13.0995 -13.0995 -13.0950 -13.0950 -8.3587 -8.3587 -8.3584 -8.3584 -5.8166 -5.8166 -5.8062 -5.8062 -5.7981 -5.7981 1.1833 1.1833 6.0801 6.0801 6.5743 6.5743 8.1403 8.1403 8.2140 8.2140 10.2479 10.2479 10.4723 10.4723 10.5146 10.5146 11.2037 11.2057 k = 0.4848 0.5000-0.0000 ( 4196 PWs) bands (ev): -32.2773 -32.2773 -32.2761 -32.2761 -32.2749 -32.2749 -13.6187 -13.6187 -13.6146 -13.6146 -13.5775 -13.5775 -13.2719 -13.2719 -13.2690 -13.2690 -13.2072 -13.2072 -13.1986 -13.1986 -13.0991 -13.0991 -13.0950 -13.0950 -8.3587 -8.3587 -8.3584 -8.3584 -5.8166 -5.8166 -5.8061 -5.8061 -5.7981 -5.7981 1.1854 1.1854 6.0803 6.0803 6.5754 6.5754 8.1375 8.1375 8.2066 8.2066 10.2474 10.2474 10.4760 10.4760 10.5177 10.5177 11.2051 11.2089 k = 0.5000 0.5000-0.0000 ( 4196 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6188 -13.6188 -13.6145 -13.6145 -13.5777 -13.5777 -13.2719 -13.2719 -13.2689 -13.2689 -13.2072 -13.2072 -13.1987 -13.1987 -13.0990 -13.0990 -13.0951 -13.0951 -8.3587 -8.3587 -8.3584 -8.3584 -5.8166 -5.8166 -5.8061 -5.8061 -5.7980 -5.7980 1.1861 1.1861 6.0803 6.0803 6.5758 6.5758 8.1365 8.1365 8.2041 8.2041 10.2472 10.2472 10.4770 10.4770 10.5189 10.5189 11.2052 11.2121 k = 0.5000 0.5000-0.0000 ( 4196 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6188 -13.6188 -13.6145 -13.6145 -13.5777 -13.5777 -13.2719 -13.2719 -13.2689 -13.2689 -13.2072 -13.2072 -13.1987 -13.1987 -13.0990 -13.0990 -13.0951 -13.0951 -8.3587 -8.3587 -8.3584 -8.3584 -5.8166 -5.8166 -5.8061 -5.8061 -5.7980 -5.7980 1.1861 1.1861 6.0803 6.0803 6.5758 6.5758 8.1365 8.1365 8.2041 8.2041 10.2472 10.2472 10.4770 10.4770 10.5189 10.5189 11.2048 11.2064 k = 0.4891 0.4891-0.0000 ( 4196 PWs) bands (ev): -32.2773 -32.2773 -32.2761 -32.2761 -32.2749 -32.2749 -13.6187 -13.6187 -13.6146 -13.6146 -13.5775 -13.5775 -13.2719 -13.2719 -13.2690 -13.2690 -13.2072 -13.2072 -13.1986 -13.1986 -13.0991 -13.0991 -13.0950 -13.0950 -8.3587 -8.3587 -8.3584 -8.3584 -5.8166 -5.8166 -5.8061 -5.8061 -5.7981 -5.7981 1.1854 1.1854 6.0803 6.0803 6.5753 6.5753 8.1375 8.1375 8.2066 8.2066 10.2474 10.2474 10.4758 10.4758 10.5178 10.5178 11.2046 11.2048 k = 0.4783 0.4783-0.0000 ( 4206 PWs) bands (ev): -32.2786 -32.2786 -32.2760 -32.2760 -32.2738 -32.2738 -13.6186 -13.6186 -13.6150 -13.6150 -13.5769 -13.5769 -13.2719 -13.2719 -13.2695 -13.2695 -13.2073 -13.2073 -13.1981 -13.1981 -13.0996 -13.0996 -13.0950 -13.0950 -8.3587 -8.3587 -8.3584 -8.3584 -5.8166 -5.8166 -5.8062 -5.8062 -5.7981 -5.7981 1.1832 1.1832 6.0803 6.0803 6.5741 6.5741 8.1404 8.1404 8.2143 8.2143 10.2480 10.2480 10.4702 10.4702 10.5164 10.5164 11.2025 11.2080 k = 0.4674 0.4674-0.0000 ( 4198 PWs) bands (ev): -32.2799 -32.2799 -32.2758 -32.2758 -32.2726 -32.2726 -13.6185 -13.6185 -13.6156 -13.6156 -13.5759 -13.5759 -13.2719 -13.2719 -13.2702 -13.2702 -13.2074 -13.2074 -13.1971 -13.1971 -13.1003 -13.1003 -13.0947 -13.0947 -8.3587 -8.3587 -8.3584 -8.3584 -5.8165 -5.8165 -5.8062 -5.8062 -5.7982 -5.7982 1.1797 1.1797 6.0803 6.0803 6.5723 6.5723 8.1443 8.1443 8.2276 8.2276 10.2489 10.2489 10.4570 10.4570 10.5188 10.5188 11.1893 11.1893 k = 0.4565 0.4565-0.0000 ( 4198 PWs) bands (ev): -32.2812 -32.2812 -32.2756 -32.2756 -32.2715 -32.2715 -13.6183 -13.6183 -13.6164 -13.6164 -13.5745 -13.5745 -13.2725 -13.2725 -13.2704 -13.2704 -13.2076 -13.2076 -13.1957 -13.1957 -13.1015 -13.1015 -13.0943 -13.0943 -8.3587 -8.3587 -8.3584 -8.3584 -5.8165 -5.8165 -5.8063 -5.8063 -5.7983 -5.7983 1.1747 1.1747 6.0802 6.0802 6.5707 6.5707 8.1485 8.1485 8.2465 8.2465 10.2503 10.2503 10.4355 10.4355 10.5262 10.5262 11.1744 11.1744 k = 0.4457 0.4457-0.0000 ( 4194 PWs) bands (ev): -32.2825 -32.2825 -32.2754 -32.2754 -32.2705 -32.2705 -13.6180 -13.6180 -13.6174 -13.6174 -13.5727 -13.5727 -13.2738 -13.2738 -13.2702 -13.2702 -13.2082 -13.2082 -13.1938 -13.1938 -13.1030 -13.1030 -13.0937 -13.0937 -8.3588 -8.3588 -8.3585 -8.3585 -5.8164 -5.8164 -5.8064 -5.8064 -5.7985 -5.7985 1.1684 1.1684 6.0798 6.0798 6.5698 6.5698 8.1527 8.1527 8.2705 8.2705 10.2520 10.2520 10.4075 10.4075 10.5378 10.5378 11.1555 11.1555 k = 0.4348 0.4348-0.0000 ( 4204 PWs) bands (ev): -32.2838 -32.2838 -32.2751 -32.2751 -32.2695 -32.2695 -13.6185 -13.6185 -13.6178 -13.6178 -13.5706 -13.5706 -13.2755 -13.2755 -13.2697 -13.2697 -13.2089 -13.2089 -13.1916 -13.1916 -13.1050 -13.1050 -13.0929 -13.0929 -8.3589 -8.3589 -8.3585 -8.3585 -5.8163 -5.8163 -5.8065 -5.8065 -5.7987 -5.7987 1.1605 1.1605 6.0792 6.0792 6.5705 6.5705 8.1570 8.1570 8.2988 8.2988 10.2543 10.2543 10.3747 10.3747 10.5529 10.5529 11.1328 11.1328 k = 0.4239 0.4239-0.0000 ( 4200 PWs) bands (ev): -32.2852 -32.2852 -32.2747 -32.2747 -32.2685 -32.2685 -13.6197 -13.6197 -13.6176 -13.6176 -13.5682 -13.5682 -13.2773 -13.2773 -13.2691 -13.2691 -13.2098 -13.2098 -13.1890 -13.1890 -13.1073 -13.1073 -13.0919 -13.0919 -8.3590 -8.3590 -8.3585 -8.3585 -5.8162 -5.8162 -5.8066 -5.8066 -5.7990 -5.7990 1.1512 1.1512 6.0783 6.0783 6.5733 6.5733 8.1613 8.1613 8.3302 8.3302 10.2569 10.2569 10.3386 10.3386 10.5708 10.5708 11.1069 11.1069 k = 0.4130 0.4130-0.0000 ( 4206 PWs) bands (ev): -32.2866 -32.2866 -32.2743 -32.2743 -32.2675 -32.2675 -13.6211 -13.6211 -13.6174 -13.6174 -13.5654 -13.5654 -13.2793 -13.2793 -13.2684 -13.2684 -13.2109 -13.2109 -13.1860 -13.1860 -13.1099 -13.1099 -13.0907 -13.0907 -8.3591 -8.3591 -8.3585 -8.3585 -5.8161 -5.8161 -5.8067 -5.8067 -5.7992 -5.7992 1.1405 1.1405 6.0773 6.0773 6.5789 6.5789 8.1659 8.1659 8.3635 8.3635 10.2600 10.2600 10.3005 10.3005 10.5912 10.5912 11.0779 11.0779 k = 0.4022 0.4022-0.0000 ( 4212 PWs) bands (ev): -32.2880 -32.2880 -32.2739 -32.2739 -32.2666 -32.2666 -13.6226 -13.6226 -13.6173 -13.6173 -13.5624 -13.5624 -13.2814 -13.2814 -13.2677 -13.2677 -13.2122 -13.2122 -13.1828 -13.1828 -13.1127 -13.1127 -13.0895 -13.0895 -8.3592 -8.3592 -8.3585 -8.3585 -5.8160 -5.8160 -5.8068 -5.8068 -5.7996 -5.7996 1.1283 1.1283 6.0763 6.0763 6.5878 6.5878 8.1708 8.1708 8.3977 8.3977 10.2594 10.2594 10.2655 10.2655 10.6139 10.6139 11.0462 11.0462 k = 0.3913 0.3913-0.0000 ( 4204 PWs) bands (ev): -32.2894 -32.2894 -32.2733 -32.2733 -32.2657 -32.2657 -13.6241 -13.6241 -13.6173 -13.6173 -13.5591 -13.5591 -13.2835 -13.2835 -13.2668 -13.2668 -13.2136 -13.2136 -13.1794 -13.1794 -13.1158 -13.1158 -13.0881 -13.0881 -8.3594 -8.3594 -8.3585 -8.3585 -5.8159 -5.8159 -5.8070 -5.8070 -5.7999 -5.7999 1.1147 1.1147 6.0756 6.0756 6.6003 6.6003 8.1761 8.1761 8.4315 8.4315 10.2214 10.2214 10.2681 10.2681 10.6385 10.6385 11.0123 11.0123 k = 0.3804 0.3804-0.0000 ( 4204 PWs) bands (ev): -32.2909 -32.2909 -32.2728 -32.2728 -32.2648 -32.2648 -13.6257 -13.6257 -13.6173 -13.6173 -13.5555 -13.5555 -13.2857 -13.2857 -13.2658 -13.2658 -13.2151 -13.2151 -13.1757 -13.1757 -13.1190 -13.1190 -13.0866 -13.0866 -8.3596 -8.3596 -8.3585 -8.3585 -5.8158 -5.8158 -5.8072 -5.8072 -5.8003 -5.8003 1.0996 1.0996 6.0756 6.0756 6.6165 6.6165 8.1818 8.1818 8.4640 8.4640 10.1826 10.1826 10.2725 10.2725 10.6646 10.6646 10.9763 10.9763 k = 0.3696 0.3696-0.0000 ( 4208 PWs) bands (ev): -32.2923 -32.2923 -32.2722 -32.2722 -32.2640 -32.2640 -13.6273 -13.6273 -13.6175 -13.6175 -13.5518 -13.5518 -13.2878 -13.2878 -13.2648 -13.2648 -13.2167 -13.2167 -13.1719 -13.1719 -13.1225 -13.1225 -13.0851 -13.0851 -8.3598 -8.3598 -8.3585 -8.3585 -5.8157 -5.8157 -5.8074 -5.8074 -5.8007 -5.8007 1.0830 1.0830 6.0767 6.0767 6.6365 6.6365 8.1879 8.1879 8.4943 8.4943 10.1449 10.1449 10.2774 10.2774 10.6915 10.6915 10.9387 10.9387 k = 0.3587 0.3587-0.0000 ( 4212 PWs) bands (ev): -32.2938 -32.2938 -32.2716 -32.2716 -32.2632 -32.2632 -13.6290 -13.6290 -13.6178 -13.6178 -13.5479 -13.5479 -13.2900 -13.2900 -13.2638 -13.2638 -13.2184 -13.2184 -13.1680 -13.1680 -13.1260 -13.1260 -13.0835 -13.0835 -8.3600 -8.3600 -8.3586 -8.3586 -5.8157 -5.8157 -5.8076 -5.8076 -5.8011 -5.8011 1.0651 1.0651 6.0794 6.0794 6.6602 6.6602 8.1945 8.1945 8.5215 8.5215 10.1090 10.1090 10.2825 10.2825 10.7191 10.7191 10.8998 10.8998 k = 0.3478 0.3478-0.0000 ( 4202 PWs) bands (ev): -32.2952 -32.2952 -32.2709 -32.2709 -32.2624 -32.2624 -13.6307 -13.6307 -13.6183 -13.6183 -13.5438 -13.5438 -13.2921 -13.2921 -13.2627 -13.2627 -13.2202 -13.2202 -13.1638 -13.1638 -13.1296 -13.1296 -13.0817 -13.0817 -8.3602 -8.3602 -8.3586 -8.3586 -5.8156 -5.8156 -5.8078 -5.8078 -5.8016 -5.8016 1.0458 1.0458 6.0840 6.0840 6.6875 6.6875 8.2016 8.2016 8.5451 8.5451 10.0751 10.0751 10.2879 10.2879 10.7465 10.7465 10.8598 10.8598 k = 0.3370 0.3370-0.0000 ( 4192 PWs) bands (ev): -32.2967 -32.2967 -32.2702 -32.2702 -32.2617 -32.2617 -13.6324 -13.6324 -13.6189 -13.6189 -13.5396 -13.5396 -13.2942 -13.2942 -13.2615 -13.2615 -13.2220 -13.2220 -13.1596 -13.1596 -13.1332 -13.1332 -13.0799 -13.0799 -8.3605 -8.3605 -8.3587 -8.3587 -5.8156 -5.8156 -5.8081 -5.8081 -5.8021 -5.8021 1.0253 1.0253 6.0911 6.0911 6.7182 6.7182 8.2090 8.2090 8.5648 8.5648 10.0435 10.0435 10.2933 10.2933 10.7728 10.7728 10.8193 10.8193 k = 0.3261 0.3261-0.0000 ( 4196 PWs) bands (ev): -32.2982 -32.2982 -32.2695 -32.2695 -32.2610 -32.2610 -13.6342 -13.6342 -13.6196 -13.6196 -13.5353 -13.5353 -13.2962 -13.2962 -13.2604 -13.2604 -13.2238 -13.2238 -13.1552 -13.1552 -13.1368 -13.1368 -13.0782 -13.0782 -8.3607 -8.3607 -8.3588 -8.3588 -5.8156 -5.8156 -5.8084 -5.8084 -5.8026 -5.8026 1.0035 1.0035 6.1008 6.1008 6.7521 6.7521 8.2168 8.2168 8.5803 8.5803 10.0143 10.0143 10.2986 10.2986 10.7763 10.7763 10.7993 10.7993 k = 0.3152 0.3152-0.0000 ( 4196 PWs) bands (ev): -32.2996 -32.2996 -32.2687 -32.2687 -32.2603 -32.2603 -13.6359 -13.6359 -13.6205 -13.6205 -13.5311 -13.5311 -13.2982 -13.2982 -13.2592 -13.2592 -13.2257 -13.2257 -13.1508 -13.1508 -13.1404 -13.1404 -13.0763 -13.0763 -8.3610 -8.3610 -8.3589 -8.3589 -5.8156 -5.8156 -5.8087 -5.8087 -5.8031 -5.8031 0.9805 0.9805 6.1135 6.1135 6.7891 6.7891 8.2247 8.2247 8.5918 8.5918 9.9873 9.9873 10.3037 10.3037 10.7353 10.7353 10.8210 10.8210 k = 0.3043 0.3043-0.0000 ( 4196 PWs) bands (ev): -32.3011 -32.3011 -32.2680 -32.2680 -32.2596 -32.2596 -13.6377 -13.6377 -13.6216 -13.6216 -13.5269 -13.5269 -13.3001 -13.3001 -13.2581 -13.2581 -13.2275 -13.2275 -13.1463 -13.1463 -13.1438 -13.1438 -13.0745 -13.0745 -8.3612 -8.3612 -8.3591 -8.3591 -5.8156 -5.8156 -5.8090 -5.8090 -5.8037 -5.8037 0.9565 0.9565 6.1294 6.1294 6.8290 6.8290 8.2327 8.2327 8.5996 8.5996 9.9623 9.9623 10.3083 10.3083 10.6935 10.6935 10.8398 10.8398 k = 0.2935 0.2935-0.0000 ( 4202 PWs) bands (ev): -32.3025 -32.3025 -32.2672 -32.2672 -32.2590 -32.2590 -13.6394 -13.6394 -13.6228 -13.6228 -13.5228 -13.5228 -13.3020 -13.3020 -13.2569 -13.2569 -13.2294 -13.2294 -13.1472 -13.1472 -13.1416 -13.1416 -13.0727 -13.0727 -8.3615 -8.3615 -8.3592 -8.3592 -5.8156 -5.8156 -5.8093 -5.8093 -5.8043 -5.8043 0.9315 0.9315 6.1486 6.1486 6.8715 6.8715 8.2405 8.2405 8.6043 8.6043 9.9390 9.9390 10.3123 10.3123 10.6517 10.6517 10.8540 10.8540 k = 0.2826 0.2826-0.0000 ( 4202 PWs) bands (ev): -32.3040 -32.3040 -32.2664 -32.2664 -32.2585 -32.2585 -13.6412 -13.6412 -13.6241 -13.6241 -13.5187 -13.5187 -13.3038 -13.3038 -13.2558 -13.2558 -13.2312 -13.2312 -13.1503 -13.1503 -13.1369 -13.1369 -13.0709 -13.0709 -8.3618 -8.3618 -8.3594 -8.3594 -5.8157 -5.8157 -5.8097 -5.8097 -5.8049 -5.8049 0.9058 0.9058 6.1712 6.1712 6.9165 6.9165 8.2479 8.2479 8.6069 8.6069 9.9170 9.9170 10.3155 10.3155 10.6102 10.6102 10.8625 10.8625 k = 0.2717 0.2717-0.0000 ( 4198 PWs) bands (ev): -32.3054 -32.3054 -32.2655 -32.2655 -32.2579 -32.2579 -13.6429 -13.6429 -13.6256 -13.6256 -13.5148 -13.5148 -13.3054 -13.3054 -13.2547 -13.2547 -13.2330 -13.2330 -13.1532 -13.1532 -13.1322 -13.1322 -13.0690 -13.0690 -8.3621 -8.3621 -8.3597 -8.3597 -5.8158 -5.8158 -5.8101 -5.8101 -5.8055 -5.8055 0.8793 0.8793 6.1972 6.1972 6.9638 6.9638 8.2548 8.2548 8.6082 8.6082 9.8959 9.8959 10.3177 10.3177 10.5691 10.5691 10.8638 10.8638 k = 0.2609 0.2609-0.0000 ( 4202 PWs) bands (ev): -32.3068 -32.3068 -32.2647 -32.2647 -32.2574 -32.2574 -13.6446 -13.6446 -13.6273 -13.6273 -13.5111 -13.5111 -13.3070 -13.3070 -13.2538 -13.2538 -13.2347 -13.2347 -13.1559 -13.1559 -13.1273 -13.1273 -13.0672 -13.0672 -8.3624 -8.3624 -8.3599 -8.3599 -5.8159 -5.8159 -5.8105 -5.8105 -5.8061 -5.8061 0.8522 0.8522 6.2264 6.2264 7.0131 7.0131 8.2607 8.2607 8.6092 8.6092 9.8753 9.8753 10.3186 10.3186 10.5285 10.5285 10.8555 10.8555 k = 0.2500 0.2500-0.0000 ( 4214 PWs) bands (ev): -32.3082 -32.3082 -32.2639 -32.2639 -32.2569 -32.2569 -13.6463 -13.6463 -13.6290 -13.6290 -13.5076 -13.5076 -13.3086 -13.3086 -13.2529 -13.2529 -13.2363 -13.2363 -13.1584 -13.1584 -13.1225 -13.1225 -13.0655 -13.0655 -8.3627 -8.3627 -8.3602 -8.3602 -5.8160 -5.8160 -5.8109 -5.8109 -5.8068 -5.8068 0.8248 0.8248 6.2589 6.2589 7.0642 7.0642 8.2657 8.2657 8.6112 8.6112 9.8549 9.8549 10.3179 10.3179 10.4886 10.4886 10.8315 10.8315 k = 0.2391 0.2391-0.0000 ( 4186 PWs) bands (ev): -32.3095 -32.3095 -32.2630 -32.2630 -32.2564 -32.2564 -13.6479 -13.6479 -13.6309 -13.6309 -13.5043 -13.5043 -13.3099 -13.3099 -13.2520 -13.2520 -13.2377 -13.2377 -13.1605 -13.1605 -13.1174 -13.1174 -13.0637 -13.0637 -8.3629 -8.3629 -8.3605 -8.3605 -5.8162 -5.8162 -5.8114 -5.8114 -5.8074 -5.8074 0.7970 0.7970 6.2942 6.2942 7.1168 7.1168 8.2697 8.2697 8.6149 8.6149 9.8344 9.8344 10.3157 10.3157 10.4496 10.4496 10.7884 10.7885 k = 0.2283 0.2283-0.0000 ( 4186 PWs) bands (ev): -32.3108 -32.3108 -32.2622 -32.2622 -32.2559 -32.2559 -13.6495 -13.6495 -13.6329 -13.6329 -13.5012 -13.5012 -13.3113 -13.3113 -13.2513 -13.2513 -13.2391 -13.2391 -13.1624 -13.1624 -13.1125 -13.1125 -13.0619 -13.0619 -8.3632 -8.3632 -8.3608 -8.3608 -5.8163 -5.8163 -5.8118 -5.8118 -5.8081 -5.8081 0.7692 0.7692 6.3323 6.3323 7.1707 7.1707 8.2728 8.2728 8.6212 8.6212 9.8135 9.8135 10.3114 10.3114 10.4116 10.4116 10.7370 10.7370 k = 0.2174 0.2174-0.0000 ( 4182 PWs) bands (ev): -32.3121 -32.3121 -32.2614 -32.2614 -32.2555 -32.2555 -13.6511 -13.6511 -13.6350 -13.6350 -13.4985 -13.4985 -13.3125 -13.3125 -13.2506 -13.2506 -13.2403 -13.2403 -13.1640 -13.1640 -13.1075 -13.1075 -13.0602 -13.0602 -8.3635 -8.3635 -8.3611 -8.3611 -5.8165 -5.8165 -5.8123 -5.8123 -5.8088 -5.8088 0.7414 0.7414 6.3727 6.3727 7.2256 7.2256 8.2757 8.2757 8.6305 8.6305 9.7922 9.7922 10.3049 10.3049 10.3747 10.3747 10.6835 10.6835 k = 0.2065 0.2065-0.0000 ( 4172 PWs) bands (ev): -32.3133 -32.3133 -32.2605 -32.2605 -32.2551 -32.2551 -13.6526 -13.6526 -13.6371 -13.6371 -13.4960 -13.4960 -13.3136 -13.3136 -13.2501 -13.2501 -13.2414 -13.2414 -13.1653 -13.1653 -13.1025 -13.1025 -13.0586 -13.0586 -8.3638 -8.3638 -8.3615 -8.3615 -5.8167 -5.8167 -5.8128 -5.8128 -5.8095 -5.8095 0.7138 0.7138 6.4150 6.4150 7.2811 7.2811 8.2790 8.2790 8.6431 8.6431 9.7703 9.7703 10.2961 10.2961 10.3390 10.3390 10.6298 10.6298 k = 0.1957 0.1957-0.0000 ( 4176 PWs) bands (ev): -32.3145 -32.3145 -32.2598 -32.2598 -32.2547 -32.2547 -13.6541 -13.6541 -13.6394 -13.6394 -13.4937 -13.4937 -13.3147 -13.3147 -13.2498 -13.2498 -13.2424 -13.2424 -13.1664 -13.1664 -13.0975 -13.0975 -13.0570 -13.0570 -8.3641 -8.3641 -8.3619 -8.3619 -5.8169 -5.8169 -5.8132 -5.8132 -5.8102 -5.8102 0.6866 0.6866 6.4587 6.4587 7.3368 7.3368 8.2837 8.2837 8.6589 8.6589 9.7478 9.7478 10.2845 10.2845 10.3048 10.3048 10.5763 10.5764 k = 0.1848 0.1848-0.0000 ( 4168 PWs) bands (ev): -32.3157 -32.3157 -32.2590 -32.2590 -32.2543 -32.2543 -13.6556 -13.6556 -13.6417 -13.6417 -13.4917 -13.4917 -13.3156 -13.3156 -13.2495 -13.2495 -13.2432 -13.2432 -13.1671 -13.1671 -13.0926 -13.0926 -13.0555 -13.0555 -8.3644 -8.3644 -8.3623 -8.3623 -5.8171 -5.8171 -5.8137 -5.8137 -5.8109 -5.8109 0.6598 0.6598 6.5034 6.5034 7.3924 7.3924 8.2909 8.2909 8.6779 8.6779 9.7247 9.7247 10.2680 10.2680 10.2742 10.2742 10.5233 10.5233 k = 0.1739 0.1739-0.0000 ( 4168 PWs) bands (ev): -32.3168 -32.3168 -32.2582 -32.2582 -32.2540 -32.2540 -13.6570 -13.6570 -13.6440 -13.6440 -13.4901 -13.4901 -13.3165 -13.3165 -13.2493 -13.2493 -13.2440 -13.2440 -13.1677 -13.1677 -13.0878 -13.0878 -13.0540 -13.0540 -8.3646 -8.3646 -8.3627 -8.3627 -5.8173 -5.8173 -5.8142 -5.8142 -5.8116 -5.8116 0.6338 0.6338 6.5485 6.5485 7.4474 7.4474 8.3018 8.3018 8.6997 8.6997 9.7010 9.7010 10.2390 10.2390 10.2543 10.2543 10.4705 10.4705 k = 0.1630 0.1630-0.0000 ( 4174 PWs) bands (ev): -32.3179 -32.3179 -32.2575 -32.2575 -32.2537 -32.2537 -13.6583 -13.6583 -13.6464 -13.6464 -13.4887 -13.4887 -13.3173 -13.3173 -13.2492 -13.2492 -13.2446 -13.2446 -13.1681 -13.1681 -13.0830 -13.0830 -13.0526 -13.0526 -8.3649 -8.3649 -8.3631 -8.3631 -5.8175 -5.8175 -5.8147 -5.8147 -5.8123 -5.8123 0.6085 0.6085 6.5932 6.5932 7.5014 7.5014 8.3176 8.3176 8.7240 8.7240 9.6766 9.6766 10.2092 10.2092 10.2333 10.2333 10.4180 10.4180 k = 0.1522 0.1522-0.0000 ( 4170 PWs) bands (ev): -32.3189 -32.3189 -32.2568 -32.2568 -32.2534 -32.2534 -13.6595 -13.6595 -13.6487 -13.6487 -13.4875 -13.4875 -13.3179 -13.3179 -13.2492 -13.2492 -13.2451 -13.2451 -13.1683 -13.1683 -13.0784 -13.0784 -13.0513 -13.0513 -8.3651 -8.3651 -8.3635 -8.3635 -5.8176 -5.8176 -5.8151 -5.8151 -5.8130 -5.8130 0.5842 0.5842 6.6370 6.6370 7.5542 7.5542 8.3392 8.3392 8.7506 8.7506 9.6517 9.6517 10.1808 10.1808 10.2082 10.2082 10.3655 10.3655 k = 0.1413 0.1413-0.0000 ( 4174 PWs) bands (ev): -32.3199 -32.3199 -32.2561 -32.2561 -32.2532 -32.2532 -13.6607 -13.6607 -13.6510 -13.6510 -13.4865 -13.4865 -13.3185 -13.3185 -13.2492 -13.2492 -13.2456 -13.2456 -13.1683 -13.1683 -13.0740 -13.0740 -13.0500 -13.0500 -8.3654 -8.3654 -8.3639 -8.3639 -5.8178 -5.8178 -5.8156 -5.8156 -5.8137 -5.8137 0.5609 0.5609 6.6792 6.6792 7.6054 7.6054 8.3673 8.3673 8.7792 8.7792 9.6260 9.6260 10.1539 10.1539 10.1774 10.1774 10.3131 10.3131 k = 0.1304 0.1304-0.0000 ( 4182 PWs) bands (ev): -32.3208 -32.3208 -32.2555 -32.2555 -32.2529 -32.2529 -13.6619 -13.6619 -13.6533 -13.6533 -13.4857 -13.4857 -13.3190 -13.3190 -13.2492 -13.2492 -13.2461 -13.2461 -13.1682 -13.1682 -13.0696 -13.0696 -13.0489 -13.0489 -8.3656 -8.3656 -8.3643 -8.3643 -5.8180 -5.8180 -5.8160 -5.8160 -5.8143 -5.8143 0.5389 0.5389 6.7191 6.7191 7.6552 7.6552 8.4024 8.4024 8.8095 8.8095 9.5997 9.5997 10.1283 10.1283 10.1387 10.1387 10.2622 10.2622 k = 0.1196 0.1196-0.0000 ( 4184 PWs) bands (ev): -32.3216 -32.3216 -32.2549 -32.2549 -32.2527 -32.2527 -13.6630 -13.6630 -13.6555 -13.6555 -13.4851 -13.4851 -13.3194 -13.3194 -13.2492 -13.2492 -13.2465 -13.2465 -13.1680 -13.1680 -13.0656 -13.0656 -13.0478 -13.0478 -8.3658 -8.3658 -8.3647 -8.3647 -5.8182 -5.8182 -5.8164 -5.8164 -5.8149 -5.8149 0.5182 0.5182 6.7561 6.7561 7.7034 7.7034 8.4447 8.4447 8.8412 8.8412 9.5726 9.5726 10.0867 10.0867 10.1063 10.1063 10.2157 10.2157 k = 0.1087 0.1087-0.0000 ( 4186 PWs) bands (ev): -32.3224 -32.3224 -32.2543 -32.2543 -32.2525 -32.2525 -13.6639 -13.6639 -13.6576 -13.6576 -13.4846 -13.4846 -13.3198 -13.3198 -13.2493 -13.2493 -13.2469 -13.2469 -13.1677 -13.1677 -13.0617 -13.0617 -13.0468 -13.0468 -8.3660 -8.3660 -8.3650 -8.3650 -5.8184 -5.8184 -5.8168 -5.8168 -5.8155 -5.8155 0.4989 0.4989 6.7897 6.7897 7.7503 7.7503 8.4938 8.4938 8.8741 8.8741 9.5447 9.5447 10.0246 10.0246 10.0846 10.0846 10.1753 10.1753 k = 0.0978 0.0978-0.0000 ( 4182 PWs) bands (ev): -32.3231 -32.3231 -32.2538 -32.2538 -32.2523 -32.2523 -13.6648 -13.6648 -13.6595 -13.6595 -13.4842 -13.4842 -13.3200 -13.3200 -13.2492 -13.2492 -13.2472 -13.2472 -13.1674 -13.1674 -13.0582 -13.0582 -13.0459 -13.0459 -8.3662 -8.3662 -8.3654 -8.3654 -5.8185 -5.8185 -5.8172 -5.8172 -5.8161 -5.8161 0.4812 0.4812 6.8197 6.8197 7.7961 7.7961 8.5493 8.5493 8.9078 8.9078 9.5159 9.5159 9.9535 9.9535 10.0650 10.0650 10.1399 10.1399 k = 0.0870 0.0870-0.0000 ( 4188 PWs) bands (ev): -32.3237 -32.3237 -32.2534 -32.2534 -32.2522 -32.2522 -13.6656 -13.6656 -13.6613 -13.6613 -13.4840 -13.4840 -13.3203 -13.3203 -13.2492 -13.2492 -13.2476 -13.2476 -13.1670 -13.1670 -13.0549 -13.0549 -13.0451 -13.0451 -8.3664 -8.3664 -8.3657 -8.3657 -5.8187 -5.8187 -5.8175 -5.8175 -5.8166 -5.8166 0.4650 0.4650 6.8458 6.8458 7.8405 7.8405 8.6106 8.6106 8.9421 8.9421 9.4860 9.4860 9.8769 9.8769 10.0473 10.0473 10.1081 10.1081 k = 0.0761 0.0761-0.0000 ( 4192 PWs) bands (ev): -32.3243 -32.3243 -32.2530 -32.2530 -32.2520 -32.2520 -13.6663 -13.6663 -13.6629 -13.6629 -13.4838 -13.4838 -13.3205 -13.3205 -13.2492 -13.2492 -13.2479 -13.2479 -13.1667 -13.1667 -13.0520 -13.0520 -13.0444 -13.0444 -8.3665 -8.3665 -8.3660 -8.3660 -5.8188 -5.8188 -5.8178 -5.8178 -5.8171 -5.8171 0.4506 0.4506 6.8680 6.8680 7.8834 7.8834 8.6767 8.6767 8.9767 8.9767 9.4552 9.4552 9.7970 9.7970 10.0316 10.0316 10.0791 10.0791 k = 0.0652 0.0652-0.0000 ( 4191 PWs) bands (ev): -32.3248 -32.3248 -32.2526 -32.2526 -32.2519 -32.2519 -13.6669 -13.6669 -13.6644 -13.6644 -13.4837 -13.4837 -13.3206 -13.3206 -13.2491 -13.2491 -13.2482 -13.2482 -13.1663 -13.1663 -13.0494 -13.0494 -13.0438 -13.0438 -8.3666 -8.3666 -8.3663 -8.3663 -5.8189 -5.8189 -5.8180 -5.8180 -5.8175 -5.8175 0.4380 0.4380 6.8865 6.8865 7.9241 7.9241 8.7469 8.7469 9.0113 9.0113 9.4234 9.4234 9.7155 9.7155 10.0178 10.0178 10.0530 10.0530 k = 0.0543 0.0543-0.0000 ( 4181 PWs) bands (ev): -32.3252 -32.3252 -32.2523 -32.2523 -32.2518 -32.2518 -13.6674 -13.6674 -13.6656 -13.6656 -13.4836 -13.4836 -13.3207 -13.3207 -13.2490 -13.2490 -13.2484 -13.2484 -13.1660 -13.1660 -13.0472 -13.0472 -13.0432 -13.0432 -8.3668 -8.3668 -8.3665 -8.3665 -5.8190 -5.8190 -5.8182 -5.8182 -5.8179 -5.8179 0.4272 0.4272 6.9015 6.9015 7.9619 7.9619 8.8204 8.8204 9.0458 9.0458 9.3908 9.3908 9.6331 9.6331 10.0060 10.0060 10.0301 10.0301 k = 0.0435 0.0435-0.0000 ( 4175 PWs) bands (ev): -32.3256 -32.3256 -32.2520 -32.2520 -32.2517 -32.2517 -13.6678 -13.6678 -13.6667 -13.6667 -13.4836 -13.4836 -13.3208 -13.3208 -13.2490 -13.2490 -13.2485 -13.2485 -13.1656 -13.1656 -13.0454 -13.0454 -13.0428 -13.0428 -8.3668 -8.3668 -8.3667 -8.3667 -5.8191 -5.8191 -5.8184 -5.8184 -5.8182 -5.8182 0.4182 0.4182 6.9132 6.9132 7.9954 7.9954 8.8964 8.8964 9.0797 9.0797 9.3578 9.3578 9.5505 9.5505 9.9960 9.9960 10.0107 10.0107 k = 0.0326 0.0326-0.0000 ( 4159 PWs) bands (ev): -32.3258 -32.3258 -32.2518 -32.2518 -32.2516 -32.2516 -13.6681 -13.6681 -13.6674 -13.6674 -13.4835 -13.4835 -13.3208 -13.3208 -13.2489 -13.2489 -13.2486 -13.2486 -13.1653 -13.1653 -13.0439 -13.0439 -13.0424 -13.0424 -8.3669 -8.3669 -8.3668 -8.3668 -5.8192 -5.8192 -5.8185 -5.8185 -5.8184 -5.8184 0.4113 0.4113 6.9219 6.9219 8.0235 8.0235 8.9744 8.9744 9.1129 9.1129 9.3248 9.3248 9.4680 9.4680 9.9877 9.9877 9.9952 9.9952 k = 0.0217 0.0217-0.0000 ( 4157 PWs) bands (ev): -32.3260 -32.3260 -32.2517 -32.2517 -32.2516 -32.2516 -13.6683 -13.6683 -13.6680 -13.6680 -13.4835 -13.4835 -13.3208 -13.3208 -13.2488 -13.2488 -13.2487 -13.2487 -13.1652 -13.1652 -13.0428 -13.0428 -13.0422 -13.0422 -8.3670 -8.3670 -8.3669 -8.3669 -5.8193 -5.8193 -5.8186 -5.8186 -5.8186 -5.8186 0.4063 0.4063 6.9280 6.9280 8.0448 8.0448 9.0533 9.0533 9.1449 9.1449 9.2927 9.2927 9.3860 9.3860 9.9810 9.9810 9.9838 9.9838 k = 0.0109 0.0109-0.0000 ( 4157 PWs) bands (ev): -32.3261 -32.3261 -32.2516 -32.2516 -32.2515 -32.2515 -13.6685 -13.6685 -13.6684 -13.6684 -13.4835 -13.4835 -13.3208 -13.3208 -13.2488 -13.2488 -13.2488 -13.2488 -13.1650 -13.1650 -13.0422 -13.0422 -13.0421 -13.0421 -8.3670 -8.3670 -8.3670 -8.3670 -5.8193 -5.8193 -5.8187 -5.8187 -5.8187 -5.8187 0.4032 0.4032 6.9315 6.9315 8.0580 8.0580 9.1316 9.1316 9.1736 9.1736 9.2636 9.2636 9.3060 9.3060 9.9763 9.9763 9.9769 9.9769 k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -32.3262 -32.3262 -32.2515 -32.2515 -32.2515 -32.2515 -13.6685 -13.6685 -13.6685 -13.6685 -13.4836 -13.4836 -13.3209 -13.3209 -13.2488 -13.2488 -13.2488 -13.2488 -13.1650 -13.1650 -13.0421 -13.0421 -13.0421 -13.0421 -8.3670 -8.3670 -8.3670 -8.3670 -5.8193 -5.8193 -5.8187 -5.8187 -5.8187 -5.8187 0.4022 0.4022 6.9326 6.9326 8.0626 8.0626 9.1887 9.1887 9.1887 9.1887 9.2483 9.2483 9.2483 9.2483 9.9745 9.9745 9.9745 9.9745 k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -32.3262 -32.3262 -32.2515 -32.2515 -32.2515 -32.2515 -13.6685 -13.6685 -13.6685 -13.6685 -13.4836 -13.4836 -13.3209 -13.3209 -13.2488 -13.2488 -13.2488 -13.2488 -13.1650 -13.1650 -13.0421 -13.0421 -13.0421 -13.0421 -8.3670 -8.3670 -8.3670 -8.3670 -5.8193 -5.8193 -5.8187 -5.8187 -5.8187 -5.8187 0.4022 0.4022 6.9326 6.9326 8.0626 8.0626 9.1887 9.1887 9.1887 9.1887 9.2483 9.2483 9.2483 9.2483 9.9745 9.9745 9.9745 9.9745 k = 0.0088 0.0088 0.0088 ( 4160 PWs) bands (ev): -32.3262 -32.3262 -32.2516 -32.2516 -32.2516 -32.2516 -13.6685 -13.6685 -13.6684 -13.6684 -13.4836 -13.4836 -13.3208 -13.3208 -13.2488 -13.2488 -13.2488 -13.2488 -13.1650 -13.1650 -13.0422 -13.0422 -13.0421 -13.0421 -8.3670 -8.3670 -8.3670 -8.3670 -5.8193 -5.8193 -5.8187 -5.8187 -5.8187 -5.8187 0.4032 0.4032 6.9315 6.9315 8.0581 8.0581 9.1355 9.1355 9.1682 9.1682 9.2700 9.2700 9.3012 9.3012 9.9764 9.9764 9.9766 9.9766 k = 0.0175 0.0175 0.0175 ( 4160 PWs) bands (ev): -32.3260 -32.3260 -32.2516 -32.2516 -32.2516 -32.2516 -13.6683 -13.6683 -13.6681 -13.6681 -13.4836 -13.4836 -13.3208 -13.3208 -13.2488 -13.2488 -13.2488 -13.2488 -13.1651 -13.1651 -13.0429 -13.0429 -13.0422 -13.0422 -8.3670 -8.3670 -8.3669 -8.3669 -5.8193 -5.8193 -5.8186 -5.8186 -5.8186 -5.8186 0.4062 0.4062 6.9281 6.9281 8.0452 8.0452 9.0607 9.0607 9.1318 9.1318 9.3095 9.3095 9.3747 9.3747 9.9822 9.9822 9.9823 9.9823 k = 0.0263 0.0263 0.0263 ( 4166 PWs) bands (ev): -32.3258 -32.3258 -32.2517 -32.2517 -32.2517 -32.2517 -13.6681 -13.6681 -13.6675 -13.6675 -13.4836 -13.4836 -13.3208 -13.3208 -13.2488 -13.2488 -13.2487 -13.2487 -13.1653 -13.1653 -13.0439 -13.0439 -13.0424 -13.0424 -8.3669 -8.3669 -8.3668 -8.3668 -5.8192 -5.8192 -5.8185 -5.8185 -5.8184 -5.8184 0.4111 0.4111 6.9224 6.9224 8.0245 8.0245 8.9845 8.9845 9.0918 9.0918 9.3547 9.3547 9.4484 9.4484 9.9906 9.9906 9.9921 9.9921 k = 0.0351 0.0351 0.0351 ( 4175 PWs) bands (ev): -32.3256 -32.3256 -32.2518 -32.2518 -32.2518 -32.2518 -13.6678 -13.6678 -13.6668 -13.6668 -13.4836 -13.4836 -13.3208 -13.3208 -13.2488 -13.2488 -13.2487 -13.2487 -13.1656 -13.1656 -13.0454 -13.0454 -13.0427 -13.0427 -8.3669 -8.3669 -8.3667 -8.3667 -5.8191 -5.8191 -5.8184 -5.8184 -5.8182 -5.8182 0.4179 0.4179 6.9142 6.9142 7.9972 7.9972 8.9084 8.9084 9.0496 9.0496 9.4042 9.4042 9.5203 9.5203 10.0008 10.0008 10.0064 10.0064 k = 0.0439 0.0439 0.0439 ( 4178 PWs) bands (ev): -32.3252 -32.3252 -32.2520 -32.2520 -32.2520 -32.2520 -13.6674 -13.6674 -13.6658 -13.6658 -13.4836 -13.4836 -13.3207 -13.3207 -13.2487 -13.2487 -13.2487 -13.2487 -13.1659 -13.1659 -13.0472 -13.0472 -13.0430 -13.0430 -8.3668 -8.3668 -8.3665 -8.3665 -5.8190 -5.8190 -5.8182 -5.8182 -5.8179 -5.8179 0.4266 0.4266 6.9036 6.9036 7.9647 7.9647 8.8331 8.8331 9.0058 9.0058 9.4572 9.4572 9.5892 9.5892 10.0134 10.0134 10.0259 10.0259 k = 0.0526 0.0526 0.0526 ( 4190 PWs) bands (ev): -32.3248 -32.3248 -32.2522 -32.2522 -32.2522 -32.2522 -13.6669 -13.6669 -13.6646 -13.6646 -13.4837 -13.4837 -13.3206 -13.3206 -13.2488 -13.2488 -13.2486 -13.2486 -13.1663 -13.1663 -13.0495 -13.0495 -13.0435 -13.0435 -8.3667 -8.3667 -8.3663 -8.3663 -5.8190 -5.8190 -5.8180 -5.8180 -5.8176 -5.8176 0.4372 0.4372 6.8904 6.8904 7.9283 7.9283 8.7588 8.7588 8.9611 8.9611 9.5131 9.5131 9.6538 9.6538 10.0285 10.0285 10.0511 10.0512 k = 0.0614 0.0614 0.0614 ( 4193 PWs) bands (ev): -32.3243 -32.3243 -32.2525 -32.2525 -32.2525 -32.2525 -13.6663 -13.6663 -13.6632 -13.6632 -13.4838 -13.4838 -13.3204 -13.3204 -13.2488 -13.2488 -13.2484 -13.2484 -13.1666 -13.1666 -13.0521 -13.0521 -13.0440 -13.0440 -8.3665 -8.3665 -8.3660 -8.3660 -5.8188 -5.8188 -5.8177 -5.8177 -5.8172 -5.8172 0.4495 0.4495 6.8745 6.8745 7.8891 7.8891 8.6857 8.6857 8.9161 8.9161 9.5707 9.5707 9.7131 9.7131 10.0463 10.0463 10.0827 10.0827 k = 0.0702 0.0702 0.0702 ( 4187 PWs) bands (ev): -32.3238 -32.3238 -32.2527 -32.2527 -32.2527 -32.2527 -13.6656 -13.6656 -13.6616 -13.6616 -13.4839 -13.4839 -13.3202 -13.3202 -13.2488 -13.2488 -13.2482 -13.2482 -13.1669 -13.1669 -13.0551 -13.0551 -13.0445 -13.0445 -8.3664 -8.3664 -8.3657 -8.3657 -5.8187 -5.8187 -5.8173 -5.8173 -5.8168 -5.8168 0.4637 0.4637 6.8559 6.8559 7.8484 7.8484 8.6141 8.6141 8.8715 8.8715 9.6291 9.6291 9.7664 9.7664 10.0672 10.0672 10.1211 10.1212 k = 0.0789 0.0789 0.0789 ( 4184 PWs) bands (ev): -32.3231 -32.3231 -32.2530 -32.2530 -32.2530 -32.2530 -13.6649 -13.6649 -13.6598 -13.6598 -13.4842 -13.4842 -13.3199 -13.3199 -13.2489 -13.2489 -13.2479 -13.2479 -13.1672 -13.1672 -13.0584 -13.0584 -13.0452 -13.0452 -8.3663 -8.3663 -8.3654 -8.3654 -5.8186 -5.8186 -5.8170 -5.8170 -5.8163 -5.8163 0.4795 0.4795 6.8345 6.8345 7.8067 7.8067 8.5440 8.5440 8.8283 8.8283 9.6869 9.6869 9.8133 9.8133 10.0910 10.0910 10.1659 10.1668 k = 0.0877 0.0877 0.0877 ( 4172 PWs) bands (ev): -32.3224 -32.3224 -32.2534 -32.2534 -32.2534 -32.2534 -13.6641 -13.6641 -13.6579 -13.6579 -13.4845 -13.4845 -13.3196 -13.3196 -13.2490 -13.2490 -13.2475 -13.2475 -13.1674 -13.1674 -13.0620 -13.0620 -13.0458 -13.0458 -8.3661 -8.3661 -8.3650 -8.3650 -5.8185 -5.8185 -5.8166 -5.8166 -5.8157 -5.8157 0.4969 0.4969 6.8105 6.8105 7.7649 7.7649 8.4756 8.4756 8.7870 8.7870 9.7431 9.7431 9.8545 9.8545 10.1176 10.1176 10.1991 10.1991 k = 0.0965 0.0965 0.0965 ( 4181 PWs) bands (ev): -32.3217 -32.3217 -32.2537 -32.2537 -32.2537 -32.2537 -13.6633 -13.6633 -13.6559 -13.6559 -13.4850 -13.4850 -13.3192 -13.3192 -13.2493 -13.2493 -13.2471 -13.2471 -13.1676 -13.1676 -13.0659 -13.0659 -13.0466 -13.0466 -8.3659 -8.3659 -8.3647 -8.3647 -5.8184 -5.8184 -5.8162 -5.8162 -5.8152 -5.8152 0.5158 0.5158 6.7838 6.7838 7.7234 7.7234 8.4091 8.4091 8.7482 8.7482 9.7965 9.7965 9.8910 9.8910 10.1465 10.1465 10.2330 10.2330 k = 0.1053 0.1053 0.1053 ( 4175 PWs) bands (ev): -32.3209 -32.3209 -32.2541 -32.2541 -32.2541 -32.2541 -13.6625 -13.6625 -13.6537 -13.6537 -13.4856 -13.4856 -13.3186 -13.3186 -13.2496 -13.2496 -13.2466 -13.2466 -13.1676 -13.1676 -13.0700 -13.0700 -13.0474 -13.0474 -8.3657 -8.3657 -8.3643 -8.3643 -5.8182 -5.8182 -5.8157 -5.8157 -5.8146 -5.8146 0.5362 0.5362 6.7548 6.7548 7.6825 7.6825 8.3446 8.3446 8.7127 8.7127 9.8464 9.8464 9.9238 9.9238 10.1768 10.1768 10.2697 10.2697 k = 0.1140 0.1140 0.1140 ( 4175 PWs) bands (ev): -32.3200 -32.3200 -32.2546 -32.2546 -32.2546 -32.2546 -13.6616 -13.6616 -13.6514 -13.6514 -13.4864 -13.4864 -13.3180 -13.3180 -13.2500 -13.2500 -13.2460 -13.2460 -13.1676 -13.1676 -13.0743 -13.0743 -13.0482 -13.0482 -8.3655 -8.3655 -8.3639 -8.3639 -5.8181 -5.8181 -5.8152 -5.8152 -5.8140 -5.8140 0.5578 0.5578 6.7236 6.7236 7.6424 7.6424 8.2821 8.2821 8.6808 8.6808 9.8921 9.8921 9.9540 9.9540 10.2072 10.2072 10.3098 10.3098 k = 0.1228 0.1228 0.1228 ( 4178 PWs) bands (ev): -32.3191 -32.3191 -32.2550 -32.2550 -32.2550 -32.2550 -13.6608 -13.6608 -13.6491 -13.6491 -13.4875 -13.4875 -13.3172 -13.3172 -13.2506 -13.2506 -13.2453 -13.2453 -13.1674 -13.1674 -13.0789 -13.0789 -13.0490 -13.0490 -8.3653 -8.3653 -8.3635 -8.3635 -5.8180 -5.8180 -5.8147 -5.8147 -5.8133 -5.8133 0.5807 0.5807 6.6906 6.6906 7.6032 7.6032 8.2218 8.2218 8.6528 8.6528 9.9337 9.9337 9.9821 9.9821 10.2366 10.2366 10.3537 10.3537 k = 0.1316 0.1316 0.1316 ( 4175 PWs) bands (ev): -32.3181 -32.3181 -32.2555 -32.2555 -32.2555 -32.2555 -13.6599 -13.6599 -13.6467 -13.6467 -13.4887 -13.4887 -13.3162 -13.3162 -13.2514 -13.2514 -13.2446 -13.2446 -13.1670 -13.1670 -13.0835 -13.0835 -13.0499 -13.0499 -8.3651 -8.3651 -8.3630 -8.3630 -5.8178 -5.8178 -5.8142 -5.8142 -5.8126 -5.8126 0.6047 0.6047 6.6562 6.6562 7.5649 7.5649 8.1637 8.1637 8.6291 8.6291 9.9712 9.9712 10.0086 10.0086 10.2643 10.2643 10.4007 10.4007 k = 0.1404 0.1404 0.1404 ( 4175 PWs) bands (ev): -32.3170 -32.3170 -32.2560 -32.2560 -32.2560 -32.2560 -13.6591 -13.6591 -13.6443 -13.6443 -13.4902 -13.4902 -13.3151 -13.3151 -13.2523 -13.2523 -13.2437 -13.2437 -13.1664 -13.1664 -13.0882 -13.0882 -13.0508 -13.0508 -8.3649 -8.3649 -8.3626 -8.3626 -5.8177 -5.8177 -5.8137 -5.8137 -5.8120 -5.8120 0.6296 0.6296 6.6209 6.6209 7.5277 7.5277 8.1079 8.1079 8.6096 8.6096 10.0050 10.0050 10.0336 10.0336 10.2902 10.2902 10.4497 10.4497 k = 0.1491 0.1491 0.1491 ( 4181 PWs) bands (ev): -32.3159 -32.3159 -32.2565 -32.2565 -32.2565 -32.2565 -13.6584 -13.6584 -13.6419 -13.6419 -13.4919 -13.4919 -13.3138 -13.3138 -13.2535 -13.2535 -13.2427 -13.2427 -13.1656 -13.1656 -13.0930 -13.0930 -13.0517 -13.0517 -8.3647 -8.3647 -8.3622 -8.3622 -5.8176 -5.8176 -5.8132 -5.8132 -5.8113 -5.8113 0.6554 0.6554 6.5850 6.5850 7.4915 7.4915 8.0544 8.0544 8.5945 8.5945 10.0352 10.0352 10.0571 10.0571 10.3141 10.3141 10.4994 10.4994 k = 0.1579 0.1579 0.1579 ( 4199 PWs) bands (ev): -32.3148 -32.3148 -32.2571 -32.2571 -32.2571 -32.2571 -13.6578 -13.6578 -13.6396 -13.6396 -13.4940 -13.4940 -13.3123 -13.3123 -13.2549 -13.2549 -13.2415 -13.2415 -13.1647 -13.1647 -13.0978 -13.0978 -13.0526 -13.0526 -8.3645 -8.3645 -8.3618 -8.3618 -5.8175 -5.8175 -5.8127 -5.8127 -5.8106 -5.8106 0.6819 0.6819 6.5491 6.5491 7.4564 7.4564 8.0034 8.0034 8.5836 8.5836 10.0619 10.0619 10.0787 10.0787 10.3360 10.3360 10.5486 10.5486 k = 0.1667 0.1667 0.1667 ( 4211 PWs) bands (ev): -32.3136 -32.3136 -32.2577 -32.2577 -32.2577 -32.2577 -13.6571 -13.6571 -13.6372 -13.6372 -13.4965 -13.4965 -13.3106 -13.3106 -13.2565 -13.2565 -13.2402 -13.2402 -13.1634 -13.1634 -13.1027 -13.1027 -13.0535 -13.0535 -8.3643 -8.3643 -8.3614 -8.3614 -5.8174 -5.8174 -5.8122 -5.8122 -5.8099 -5.8099 0.7088 0.7088 6.5136 6.5136 7.4225 7.4225 7.9549 7.9549 8.5768 8.5768 10.0850 10.0850 10.0982 10.0982 10.3560 10.3560 10.5962 10.5962 k = 0.1754 0.1754 0.1754 ( 4193 PWs) bands (ev): -32.3124 -32.3124 -32.2583 -32.2583 -32.2583 -32.2583 -13.6565 -13.6565 -13.6349 -13.6349 -13.4991 -13.4991 -13.3086 -13.3086 -13.2582 -13.2582 -13.2387 -13.2387 -13.1619 -13.1619 -13.1073 -13.1073 -13.0543 -13.0543 -8.3640 -8.3640 -8.3610 -8.3610 -5.8173 -5.8173 -5.8117 -5.8117 -5.8092 -5.8092 0.7362 0.7362 6.4791 6.4791 7.3898 7.3898 7.9089 7.9089 8.5739 8.5739 10.1042 10.1042 10.1150 10.1150 10.3740 10.3740 10.6415 10.6415 k = 0.1842 0.1842 0.1842 ( 4193 PWs) bands (ev): -32.3112 -32.3112 -32.2589 -32.2589 -32.2589 -32.2589 -13.6560 -13.6560 -13.6327 -13.6327 -13.5022 -13.5022 -13.3064 -13.3064 -13.2603 -13.2603 -13.2370 -13.2370 -13.1601 -13.1601 -13.1119 -13.1119 -13.0552 -13.0552 -8.3638 -8.3638 -8.3606 -8.3606 -5.8172 -5.8172 -5.8112 -5.8112 -5.8086 -5.8086 0.7639 0.7639 6.4460 6.4460 7.3584 7.3584 7.8654 7.8654 8.5747 8.5747 10.1189 10.1189 10.1282 10.1282 10.3897 10.3897 10.6843 10.6843 k = 0.1930 0.1930 0.1930 ( 4199 PWs) bands (ev): -32.3099 -32.3099 -32.2595 -32.2595 -32.2595 -32.2595 -13.6555 -13.6555 -13.6306 -13.6306 -13.5056 -13.5056 -13.3041 -13.3041 -13.2626 -13.2626 -13.2352 -13.2352 -13.1581 -13.1581 -13.1163 -13.1163 -13.0560 -13.0560 -8.3636 -8.3636 -8.3603 -8.3603 -5.8172 -5.8172 -5.8107 -5.8107 -5.8079 -5.8079 0.7916 0.7916 6.4146 6.4146 7.3286 7.3286 7.8246 7.8246 8.5788 8.5788 10.1285 10.1285 10.1373 10.1373 10.4030 10.4030 10.7243 10.7243 k = 0.2018 0.2018 0.2018 ( 4199 PWs) bands (ev): -32.3086 -32.3086 -32.2601 -32.2601 -32.2601 -32.2601 -13.6552 -13.6552 -13.6286 -13.6286 -13.5093 -13.5093 -13.3015 -13.3015 -13.2651 -13.2651 -13.2332 -13.2332 -13.1558 -13.1558 -13.1206 -13.1206 -13.0567 -13.0567 -8.3634 -8.3634 -8.3600 -8.3600 -5.8171 -5.8171 -5.8103 -5.8103 -5.8073 -5.8073 0.8192 0.8192 6.3855 6.3855 7.3003 7.3003 7.7864 7.7864 8.5859 8.5859 10.1322 10.1322 10.1413 10.1413 10.4137 10.4137 10.7620 10.7620 k = 0.2105 0.2105 0.2105 ( 4202 PWs) bands (ev): -32.3072 -32.3072 -32.2608 -32.2608 -32.2608 -32.2608 -13.6550 -13.6550 -13.6268 -13.6268 -13.5134 -13.5134 -13.2988 -13.2988 -13.2678 -13.2678 -13.2310 -13.2310 -13.1533 -13.1533 -13.1247 -13.1247 -13.0574 -13.0574 -8.3633 -8.3633 -8.3597 -8.3597 -5.8171 -5.8171 -5.8098 -5.8098 -5.8067 -5.8067 0.8466 0.8466 6.3589 6.3589 7.2739 7.2739 7.7508 7.7508 8.5958 8.5958 10.1293 10.1293 10.1395 10.1395 10.4215 10.4215 10.7979 10.7979 k = 0.2193 0.2193 0.2193 ( 4199 PWs) bands (ev): -32.3059 -32.3059 -32.2614 -32.2614 -32.2614 -32.2614 -13.6548 -13.6548 -13.6251 -13.6251 -13.5178 -13.5178 -13.2959 -13.2959 -13.2707 -13.2707 -13.2286 -13.2286 -13.1506 -13.1506 -13.1285 -13.1285 -13.0581 -13.0581 -8.3631 -8.3631 -8.3594 -8.3594 -5.8172 -5.8172 -5.8094 -5.8094 -5.8062 -5.8062 0.8735 0.8735 6.3351 6.3351 7.2493 7.2493 7.7179 7.7179 8.6081 8.6081 10.1193 10.1193 10.1312 10.1312 10.4261 10.4261 10.8326 10.8326 k = 0.2281 0.2281 0.2281 ( 4200 PWs) bands (ev): -32.3045 -32.3045 -32.2621 -32.2621 -32.2621 -32.2621 -13.6548 -13.6548 -13.6236 -13.6236 -13.5225 -13.5225 -13.2929 -13.2929 -13.2737 -13.2737 -13.2260 -13.2260 -13.1476 -13.1476 -13.1320 -13.1320 -13.0587 -13.0587 -8.3629 -8.3629 -8.3592 -8.3592 -5.8172 -5.8172 -5.8090 -5.8090 -5.8056 -5.8056 0.9000 0.9000 6.3146 6.3146 7.2267 7.2267 7.6877 7.6877 8.6224 8.6224 10.1018 10.1018 10.1160 10.1160 10.4273 10.4273 10.8668 10.8668 k = 0.2368 0.2368 0.2368 ( 4206 PWs) bands (ev): -32.3032 -32.3032 -32.2627 -32.2627 -32.2627 -32.2627 -13.6549 -13.6549 -13.6223 -13.6223 -13.5275 -13.5275 -13.2900 -13.2900 -13.2768 -13.2768 -13.2233 -13.2233 -13.1445 -13.1445 -13.1353 -13.1353 -13.0593 -13.0593 -8.3628 -8.3628 -8.3590 -8.3590 -5.8173 -5.8173 -5.8086 -5.8086 -5.8051 -5.8051 0.9257 0.9257 6.2975 6.2975 7.2063 7.2063 7.6601 7.6601 8.6386 8.6386 10.0767 10.0767 10.0936 10.0936 10.4250 10.4250 10.9012 10.9012 k = 0.2456 0.2456 0.2456 ( 4200 PWs) bands (ev): -32.3018 -32.3018 -32.2634 -32.2634 -32.2634 -32.2634 -13.6550 -13.6550 -13.6212 -13.6212 -13.5327 -13.5327 -13.2876 -13.2876 -13.2793 -13.2793 -13.2204 -13.2204 -13.1415 -13.1415 -13.1380 -13.1380 -13.0598 -13.0598 -8.3626 -8.3626 -8.3588 -8.3588 -5.8174 -5.8174 -5.8082 -5.8082 -5.8047 -5.8047 0.9506 0.9506 6.2841 6.2841 7.1882 7.1882 7.6353 7.6353 8.6562 8.6562 10.0443 10.0443 10.0643 10.0643 10.4189 10.4189 10.9363 10.9363 k = 0.2544 0.2544 0.2544 ( 4200 PWs) bands (ev): -32.3004 -32.3004 -32.2641 -32.2641 -32.2641 -32.2641 -13.6553 -13.6553 -13.6202 -13.6202 -13.5381 -13.5381 -13.2874 -13.2874 -13.2798 -13.2798 -13.2173 -13.2173 -13.1417 -13.1417 -13.1370 -13.1370 -13.0602 -13.0602 -8.3625 -8.3625 -8.3587 -8.3587 -5.8175 -5.8175 -5.8078 -5.8078 -5.8043 -5.8043 0.9746 0.9746 6.2745 6.2745 7.1724 7.1724 7.6131 7.6131 8.6750 8.6750 10.0051 10.0051 10.0283 10.0283 10.4089 10.4089 10.9723 10.9724 k = 0.2632 0.2632 0.2632 ( 4200 PWs) bands (ev): -32.2990 -32.2990 -32.2647 -32.2647 -32.2647 -32.2647 -13.6558 -13.6558 -13.6195 -13.6195 -13.5437 -13.5437 -13.2899 -13.2899 -13.2776 -13.2776 -13.2142 -13.2142 -13.1439 -13.1439 -13.1335 -13.1335 -13.0605 -13.0605 -8.3624 -8.3624 -8.3586 -8.3586 -5.8177 -5.8177 -5.8075 -5.8075 -5.8039 -5.8039 0.9974 0.9974 6.2690 6.2690 7.1591 7.1591 7.5937 7.5937 8.6946 8.6946 9.9596 9.9596 9.9862 9.9862 10.3951 10.3951 11.0092 11.0092 k = 0.2719 0.2719 0.2719 ( 4206 PWs) bands (ev): -32.2976 -32.2976 -32.2654 -32.2654 -32.2654 -32.2654 -13.6564 -13.6564 -13.6189 -13.6189 -13.5493 -13.5493 -13.2934 -13.2934 -13.2746 -13.2746 -13.2109 -13.2109 -13.1460 -13.1460 -13.1297 -13.1297 -13.0608 -13.0608 -8.3623 -8.3623 -8.3586 -8.3586 -5.8179 -5.8179 -5.8072 -5.8072 -5.8036 -5.8036 1.0191 1.0191 6.2675 6.2675 7.1483 7.1483 7.5769 7.5769 8.7149 8.7149 9.9088 9.9088 9.9386 9.9386 10.3773 10.3773 11.0472 11.0472 k = 0.2807 0.2807 0.2807 ( 4212 PWs) bands (ev): -32.2963 -32.2963 -32.2661 -32.2661 -32.2661 -32.2661 -13.6571 -13.6571 -13.6185 -13.6185 -13.5551 -13.5551 -13.2971 -13.2971 -13.2714 -13.2714 -13.2075 -13.2075 -13.1480 -13.1480 -13.1257 -13.1257 -13.0610 -13.0610 -8.3622 -8.3622 -8.3586 -8.3586 -5.8181 -5.8181 -5.8069 -5.8069 -5.8033 -5.8033 1.0396 1.0396 6.2702 6.2702 7.1402 7.1402 7.5628 7.5628 8.7354 8.7354 9.8535 9.8535 9.8863 9.8863 10.3557 10.3557 11.0860 11.0860 k = 0.2895 0.2895 0.2895 ( 4218 PWs) bands (ev): -32.2949 -32.2949 -32.2667 -32.2667 -32.2667 -32.2667 -13.6579 -13.6579 -13.6183 -13.6183 -13.5609 -13.5609 -13.3010 -13.3010 -13.2681 -13.2681 -13.2040 -13.2040 -13.1496 -13.1496 -13.1217 -13.1217 -13.0611 -13.0611 -8.3622 -8.3622 -8.3586 -8.3586 -5.8184 -5.8184 -5.8066 -5.8066 -5.8031 -5.8031 1.0587 1.0587 6.2771 6.2771 7.1349 7.1349 7.5513 7.5513 8.7560 8.7560 9.7943 9.7943 9.8301 9.8301 10.3304 10.3304 11.1255 11.1263 k = 0.2982 0.2982 0.2982 ( 4209 PWs) bands (ev): -32.2936 -32.2936 -32.2674 -32.2674 -32.2674 -32.2674 -13.6589 -13.6589 -13.6182 -13.6182 -13.5667 -13.5667 -13.3049 -13.3049 -13.2647 -13.2647 -13.2005 -13.2005 -13.1510 -13.1510 -13.1175 -13.1175 -13.0611 -13.0611 -8.3621 -8.3621 -8.3586 -8.3586 -5.8187 -5.8187 -5.8064 -5.8064 -5.8029 -5.8029 1.0764 1.0764 6.2881 6.2881 7.1324 7.1324 7.5424 7.5424 8.7763 8.7763 9.7323 9.7323 9.7705 9.7705 10.3016 10.3016 11.1656 11.1714 k = 0.3070 0.3070 0.3070 ( 4209 PWs) bands (ev): -32.2923 -32.2923 -32.2680 -32.2680 -32.2680 -32.2680 -13.6601 -13.6601 -13.6184 -13.6184 -13.5724 -13.5724 -13.3088 -13.3088 -13.2615 -13.2615 -13.1969 -13.1969 -13.1521 -13.1521 -13.1132 -13.1132 -13.0610 -13.0610 -8.3621 -8.3621 -8.3587 -8.3587 -5.8190 -5.8190 -5.8061 -5.8061 -5.8027 -5.8027 1.0928 1.0928 6.3031 6.3031 7.1327 7.1327 7.5361 7.5361 8.7960 8.7960 9.6679 9.6679 9.7083 9.7083 10.2695 10.2695 11.2061 11.2081 k = 0.3158 0.3158 0.3158 ( 4203 PWs) bands (ev): -32.2910 -32.2910 -32.2686 -32.2686 -32.2686 -32.2686 -13.6614 -13.6614 -13.6186 -13.6186 -13.5779 -13.5779 -13.3126 -13.3126 -13.2584 -13.2584 -13.1932 -13.1932 -13.1530 -13.1530 -13.1089 -13.1089 -13.0609 -13.0609 -8.3620 -8.3620 -8.3588 -8.3588 -5.8194 -5.8194 -5.8059 -5.8059 -5.8026 -5.8026 1.1077 1.1077 6.3219 6.3219 7.1361 7.1361 7.5323 7.5323 8.8148 8.8148 9.6021 9.6021 9.6440 9.6440 10.2344 10.2344 11.2449 11.2494 k = 0.3246 0.3246 0.3246 ( 4209 PWs) bands (ev): -32.2897 -32.2897 -32.2692 -32.2692 -32.2692 -32.2692 -13.6629 -13.6629 -13.6190 -13.6190 -13.5834 -13.5834 -13.3165 -13.3165 -13.2554 -13.2554 -13.1897 -13.1897 -13.1537 -13.1537 -13.1046 -13.1046 -13.0606 -13.0606 -8.3620 -8.3620 -8.3590 -8.3590 -5.8198 -5.8198 -5.8057 -5.8057 -5.8025 -5.8025 1.1212 1.1212 6.3444 6.3444 7.1426 7.1426 7.5311 7.5311 8.8323 8.8323 9.5352 9.5352 9.5783 9.5783 10.1966 10.1966 11.2854 11.2889 k = 0.3333 0.3333 0.3333 ( 4212 PWs) bands (ev): -32.2885 -32.2885 -32.2698 -32.2698 -32.2698 -32.2698 -13.6645 -13.6645 -13.6195 -13.6195 -13.5886 -13.5886 -13.3202 -13.3202 -13.2526 -13.2526 -13.1862 -13.1862 -13.1542 -13.1542 -13.1003 -13.1003 -13.0603 -13.0603 -8.3620 -8.3620 -8.3592 -8.3592 -5.8202 -5.8202 -5.8055 -5.8055 -5.8024 -5.8024 1.1333 1.1333 6.3703 6.3703 7.1522 7.1522 7.5322 7.5322 8.8481 8.8481 9.4681 9.4681 9.5115 9.5115 10.1564 10.1564 11.3226 11.3263 k = 0.3421 0.3421 0.3421 ( 4206 PWs) bands (ev): -32.2873 -32.2873 -32.2704 -32.2704 -32.2704 -32.2704 -13.6664 -13.6664 -13.6201 -13.6201 -13.5935 -13.5935 -13.3239 -13.3239 -13.2499 -13.2499 -13.1827 -13.1827 -13.1545 -13.1545 -13.0960 -13.0960 -13.0599 -13.0599 -8.3620 -8.3620 -8.3594 -8.3594 -5.8206 -5.8206 -5.8053 -5.8053 -5.8024 -5.8024 1.1441 1.1441 6.3992 6.3992 7.1652 7.1652 7.5358 7.5358 8.8620 8.8620 9.4010 9.4010 9.4442 9.4442 10.1143 10.1143 11.3610 11.3639 k = 0.3509 0.3509 0.3509 ( 4200 PWs) bands (ev): -32.2862 -32.2862 -32.2709 -32.2709 -32.2709 -32.2709 -13.6684 -13.6684 -13.6208 -13.6208 -13.5981 -13.5981 -13.3274 -13.3274 -13.2473 -13.2473 -13.1793 -13.1793 -13.1546 -13.1546 -13.0917 -13.0917 -13.0593 -13.0593 -8.3620 -8.3620 -8.3596 -8.3596 -5.8210 -5.8210 -5.8051 -5.8051 -5.8024 -5.8024 1.1536 1.1536 6.4308 6.4308 7.1815 7.1815 7.5416 7.5416 8.8732 8.8732 9.3347 9.3347 9.3767 9.3767 10.0707 10.0707 11.3965 11.3991 k = 0.3596 0.3596 0.3596 ( 4188 PWs) bands (ev): -32.2851 -32.2851 -32.2714 -32.2714 -32.2714 -32.2714 -13.6706 -13.6706 -13.6215 -13.6215 -13.6024 -13.6024 -13.3307 -13.3307 -13.2449 -13.2449 -13.1760 -13.1760 -13.1546 -13.1546 -13.0875 -13.0875 -13.0588 -13.0588 -8.3620 -8.3620 -8.3598 -8.3598 -5.8215 -5.8215 -5.8050 -5.8050 -5.8025 -5.8025 1.1619 1.1619 6.4645 6.4645 7.2015 7.2015 7.5496 7.5496 8.8814 8.8814 9.2696 9.2696 9.3094 9.3094 10.0262 10.0262 11.4312 11.4332 k = 0.3684 0.3684 0.3684 ( 4185 PWs) bands (ev): -32.2840 -32.2840 -32.2719 -32.2719 -32.2719 -32.2719 -13.6729 -13.6729 -13.6223 -13.6223 -13.6064 -13.6064 -13.3339 -13.3339 -13.2427 -13.2427 -13.1729 -13.1729 -13.1544 -13.1544 -13.0834 -13.0834 -13.0581 -13.0581 -8.3621 -8.3621 -8.3600 -8.3600 -5.8219 -5.8219 -5.8048 -5.8048 -5.8025 -5.8025 1.1690 1.1690 6.4999 6.4999 7.2250 7.2250 7.5598 7.5598 8.8859 8.8859 9.2063 9.2063 9.2428 9.2428 9.9814 9.9814 11.4641 11.4654 k = 0.3772 0.3772 0.3772 ( 4185 PWs) bands (ev): -32.2830 -32.2830 -32.2724 -32.2724 -32.2724 -32.2724 -13.6753 -13.6753 -13.6231 -13.6231 -13.6100 -13.6100 -13.3370 -13.3370 -13.2407 -13.2407 -13.1700 -13.1700 -13.1542 -13.1542 -13.0795 -13.0795 -13.0574 -13.0574 -8.3621 -8.3621 -8.3603 -8.3603 -5.8224 -5.8224 -5.8047 -5.8047 -5.8026 -5.8026 1.1750 1.1750 6.5364 6.5364 7.2523 7.2523 7.5719 7.5719 8.8859 8.8859 9.1453 9.1453 9.1770 9.1770 9.9369 9.9369 11.4949 11.4956 k = 0.3860 0.3860 0.3860 ( 4197 PWs) bands (ev): -32.2821 -32.2821 -32.2729 -32.2729 -32.2729 -32.2729 -13.6779 -13.6779 -13.6240 -13.6240 -13.6133 -13.6133 -13.3399 -13.3399 -13.2388 -13.2388 -13.1672 -13.1672 -13.1539 -13.1539 -13.0758 -13.0758 -13.0566 -13.0566 -8.3622 -8.3622 -8.3605 -8.3605 -5.8228 -5.8228 -5.8046 -5.8046 -5.8027 -5.8027 1.1801 1.1801 6.5734 6.5734 7.2834 7.2834 7.5858 7.5858 8.8807 8.8807 9.0872 9.0872 9.1125 9.1125 9.8935 9.8935 11.5236 11.5238 k = 0.3947 0.3947 0.3947 ( 4194 PWs) bands (ev): -32.2812 -32.2812 -32.2733 -32.2733 -32.2733 -32.2733 -13.6805 -13.6805 -13.6248 -13.6248 -13.6162 -13.6162 -13.3426 -13.3426 -13.2372 -13.2372 -13.1646 -13.1646 -13.1535 -13.1535 -13.0722 -13.0722 -13.0558 -13.0558 -8.3622 -8.3622 -8.3608 -8.3608 -5.8233 -5.8233 -5.8044 -5.8044 -5.8028 -5.8028 1.1843 1.1843 6.6103 6.6103 7.3183 7.3183 7.6015 7.6015 8.8692 8.8692 9.0329 9.0329 9.0495 9.0495 9.8519 9.8519 11.5500 11.5503 k = 0.4035 0.4035 0.4035 ( 4194 PWs) bands (ev): -32.2803 -32.2803 -32.2737 -32.2737 -32.2737 -32.2737 -13.6831 -13.6831 -13.6257 -13.6257 -13.6188 -13.6188 -13.3451 -13.3451 -13.2356 -13.2356 -13.1622 -13.1622 -13.1530 -13.1530 -13.0687 -13.0687 -13.0550 -13.0550 -8.3622 -8.3622 -8.3610 -8.3610 -5.8237 -5.8237 -5.8043 -5.8043 -5.8029 -5.8029 1.1877 1.1877 6.6465 6.6465 7.3569 7.3569 7.6185 7.6185 8.8507 8.8507 8.9831 8.9831 8.9885 8.9885 9.8128 9.8128 11.5739 11.5747 k = 0.4123 0.4123 0.4123 ( 4185 PWs) bands (ev): -32.2796 -32.2796 -32.2741 -32.2741 -32.2741 -32.2741 -13.6856 -13.6856 -13.6265 -13.6265 -13.6211 -13.6211 -13.3474 -13.3474 -13.2343 -13.2343 -13.1599 -13.1599 -13.1526 -13.1526 -13.0655 -13.0655 -13.0542 -13.0542 -8.3623 -8.3623 -8.3613 -8.3613 -5.8241 -5.8241 -5.8043 -5.8043 -5.8031 -5.8031 1.1905 1.1905 6.6815 6.6815 7.3990 7.3990 7.6369 7.6369 8.8253 8.8253 8.9297 8.9297 8.9378 8.9378 9.7771 9.7771 11.5952 11.5964 k = 0.4211 0.4211 0.4211 ( 4191 PWs) bands (ev): -32.2789 -32.2789 -32.2744 -32.2744 -32.2744 -32.2744 -13.6881 -13.6881 -13.6273 -13.6273 -13.6232 -13.6232 -13.3496 -13.3496 -13.2331 -13.2331 -13.1579 -13.1579 -13.1521 -13.1521 -13.0625 -13.0625 -13.0534 -13.0534 -8.3623 -8.3623 -8.3615 -8.3615 -5.8245 -5.8245 -5.8042 -5.8042 -5.8032 -5.8032 1.1926 1.1926 6.7146 6.7146 7.4441 7.4441 7.6561 7.6561 8.7943 8.7943 8.8737 8.8737 8.8960 8.8960 9.7452 9.7452 11.6151 11.6165 k = 0.4298 0.4298 0.4298 ( 4194 PWs) bands (ev): -32.2783 -32.2783 -32.2747 -32.2747 -32.2747 -32.2747 -13.6905 -13.6905 -13.6280 -13.6280 -13.6249 -13.6249 -13.3515 -13.3515 -13.2320 -13.2320 -13.1561 -13.1561 -13.1516 -13.1516 -13.0598 -13.0598 -13.0527 -13.0527 -8.3624 -8.3624 -8.3617 -8.3617 -5.8248 -5.8248 -5.8041 -5.8041 -5.8033 -5.8033 1.1943 1.1943 6.7455 6.7455 7.4917 7.4917 7.6759 7.6759 8.7602 8.7602 8.8207 8.8207 8.8558 8.8558 9.7174 9.7174 11.6318 11.6339 k = 0.4386 0.4386 0.4386 ( 4206 PWs) bands (ev): -32.2777 -32.2777 -32.2750 -32.2750 -32.2750 -32.2750 -13.6927 -13.6927 -13.6287 -13.6287 -13.6264 -13.6264 -13.3532 -13.3532 -13.2311 -13.2311 -13.1546 -13.1546 -13.1512 -13.1512 -13.0575 -13.0575 -13.0520 -13.0520 -8.3624 -8.3624 -8.3619 -8.3619 -5.8252 -5.8252 -5.8040 -5.8040 -5.8034 -5.8034 1.1956 1.1956 6.7737 6.7737 7.5409 7.5409 7.6958 7.6958 8.7259 8.7259 8.7714 8.7714 8.8155 8.8155 9.6939 9.6939 11.6474 11.6493 k = 0.4474 0.4474 0.4474 ( 4206 PWs) bands (ev): -32.2772 -32.2772 -32.2752 -32.2752 -32.2752 -32.2752 -13.6946 -13.6946 -13.6293 -13.6293 -13.6277 -13.6277 -13.3547 -13.3547 -13.2303 -13.2303 -13.1532 -13.1532 -13.1508 -13.1508 -13.0553 -13.0553 -13.0513 -13.0513 -8.3625 -8.3625 -8.3621 -8.3621 -5.8255 -5.8255 -5.8040 -5.8040 -5.8035 -5.8035 1.1965 1.1965 6.7989 6.7989 7.5906 7.5906 7.7153 7.7153 8.6933 8.6933 8.7263 8.7263 8.7747 8.7747 9.6746 9.6746 11.6593 11.6632 k = 0.4561 0.4561 0.4561 ( 4230 PWs) bands (ev): -32.2768 -32.2768 -32.2754 -32.2754 -32.2754 -32.2754 -13.6963 -13.6963 -13.6299 -13.6299 -13.6288 -13.6288 -13.3560 -13.3560 -13.2298 -13.2298 -13.1521 -13.1521 -13.1504 -13.1504 -13.0536 -13.0536 -13.0508 -13.0508 -8.3625 -8.3625 -8.3622 -8.3622 -5.8257 -5.8257 -5.8039 -5.8039 -5.8036 -5.8036 1.1971 1.1971 6.8208 6.8208 7.6392 7.6392 7.7337 7.7337 8.6639 8.6639 8.6861 8.6861 8.7341 8.7341 9.6591 9.6591 11.6707 11.6739 k = 0.4649 0.4649 0.4649 ( 4236 PWs) bands (ev): -32.2765 -32.2765 -32.2756 -32.2756 -32.2756 -32.2756 -13.6978 -13.6978 -13.6303 -13.6303 -13.6297 -13.6297 -13.3570 -13.3570 -13.2292 -13.2292 -13.1512 -13.1512 -13.1501 -13.1501 -13.0521 -13.0521 -13.0503 -13.0503 -8.3625 -8.3625 -8.3624 -8.3624 -5.8259 -5.8259 -5.8039 -5.8039 -5.8037 -5.8037 1.1976 1.1976 6.8390 6.8390 7.6847 7.6847 7.7504 7.7504 8.6384 8.6384 8.6515 8.6515 8.6954 8.6954 9.6472 9.6472 11.6785 11.6833 k = 0.4737 0.4737 0.4737 ( 4236 PWs) bands (ev): -32.2762 -32.2762 -32.2757 -32.2757 -32.2757 -32.2757 -13.6989 -13.6989 -13.6306 -13.6306 -13.6303 -13.6303 -13.3578 -13.3578 -13.2288 -13.2288 -13.1505 -13.1505 -13.1499 -13.1499 -13.0509 -13.0509 -13.0499 -13.0499 -8.3626 -8.3626 -8.3625 -8.3625 -5.8261 -5.8261 -5.8039 -5.8039 -5.8038 -5.8038 1.1979 1.1979 6.8535 6.8535 7.7249 7.7249 7.7646 7.7646 8.6173 8.6173 8.6234 8.6234 8.6612 8.6612 9.6384 9.6384 11.6877 11.6927 k = 0.4825 0.4825 0.4825 ( 4224 PWs) bands (ev): -32.2760 -32.2760 -32.2758 -32.2758 -32.2758 -32.2758 -13.6997 -13.6997 -13.6309 -13.6309 -13.6307 -13.6307 -13.3583 -13.3583 -13.2285 -13.2285 -13.1499 -13.1499 -13.1496 -13.1496 -13.0500 -13.0500 -13.0495 -13.0495 -8.3626 -8.3626 -8.3625 -8.3625 -5.8262 -5.8262 -5.8039 -5.8039 -5.8038 -5.8038 1.1981 1.1981 6.8639 6.8639 7.7567 7.7567 7.7754 7.7754 8.6009 8.6009 8.6027 8.6027 8.6346 8.6346 9.6324 9.6324 11.6903 11.6936 k = 0.4912 0.4912 0.4912 ( 4224 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.7002 -13.7002 -13.6310 -13.6310 -13.6310 -13.6310 -13.3587 -13.3587 -13.2283 -13.2283 -13.1496 -13.1496 -13.1495 -13.1495 -13.0495 -13.0495 -13.0494 -13.0494 -8.3626 -8.3626 -8.3626 -8.3626 -5.8263 -5.8263 -5.8039 -5.8039 -5.8038 -5.8038 1.1982 1.1982 6.8703 6.8703 7.7774 7.7774 7.7822 7.7822 8.5897 8.5897 8.5899 8.5899 8.6182 8.6182 9.6289 9.6289 11.6924 11.6985 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.7004 -13.7004 -13.6311 -13.6311 -13.6311 -13.6311 -13.3588 -13.3588 -13.2283 -13.2283 -13.1495 -13.1495 -13.1495 -13.1495 -13.0493 -13.0493 -13.0493 -13.0493 -8.3626 -8.3626 -8.3626 -8.3626 -5.8263 -5.8263 -5.8038 -5.8038 -5.8038 -5.8038 1.1982 1.1982 6.8724 6.8724 7.7846 7.7846 7.7846 7.7846 8.5855 8.5855 8.5855 8.5855 8.6128 8.6128 9.6278 9.6278 11.6927 11.6950 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.7004 -13.7004 -13.6311 -13.6311 -13.6311 -13.6311 -13.3588 -13.3588 -13.2283 -13.2283 -13.1495 -13.1495 -13.1495 -13.1495 -13.0493 -13.0493 -13.0493 -13.0493 -8.3626 -8.3626 -8.3626 -8.3626 -5.8263 -5.8263 -5.8038 -5.8038 -5.8038 -5.8038 1.1982 1.1982 6.8724 6.8724 7.7846 7.7846 7.7846 7.7846 8.5855 8.5855 8.5855 8.5855 8.6128 8.6128 9.6278 9.6278 11.6951 11.6995 k = 0.4891 0.5000 0.4891 ( 4224 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2758 -32.2758 -13.7002 -13.7002 -13.6310 -13.6310 -13.6310 -13.6310 -13.3587 -13.3587 -13.2283 -13.2283 -13.1496 -13.1496 -13.1495 -13.1495 -13.0495 -13.0495 -13.0494 -13.0494 -8.3626 -8.3626 -8.3626 -8.3626 -5.8263 -5.8263 -5.8039 -5.8039 -5.8038 -5.8038 1.1982 1.1982 6.8702 6.8702 7.7770 7.7770 7.7824 7.7824 8.5888 8.5888 8.5908 8.5908 8.6185 8.6185 9.6289 9.6289 11.6941 11.6986 k = 0.4783 0.5000 0.4783 ( 4224 PWs) bands (ev): -32.2760 -32.2760 -32.2759 -32.2759 -32.2758 -32.2758 -13.6997 -13.6997 -13.6309 -13.6309 -13.6307 -13.6307 -13.3583 -13.3583 -13.2285 -13.2285 -13.1499 -13.1499 -13.1497 -13.1497 -13.0500 -13.0500 -13.0496 -13.0496 -8.3626 -8.3626 -8.3625 -8.3625 -5.8262 -5.8262 -5.8039 -5.8039 -5.8038 -5.8038 1.1981 1.1981 6.8637 6.8637 7.7553 7.7553 7.7760 7.7760 8.5974 8.5974 8.6043 8.6043 8.6376 8.6376 9.6325 9.6325 11.6907 11.6964 k = 0.4674 0.5000 0.4674 ( 4228 PWs) bands (ev): -32.2761 -32.2761 -32.2759 -32.2759 -32.2756 -32.2756 -13.6989 -13.6989 -13.6307 -13.6307 -13.6302 -13.6302 -13.3578 -13.3578 -13.2288 -13.2288 -13.1505 -13.1505 -13.1499 -13.1499 -13.0508 -13.0508 -13.0499 -13.0499 -8.3626 -8.3626 -8.3625 -8.3625 -5.8261 -5.8261 -5.8039 -5.8039 -5.8038 -5.8038 1.1979 1.1979 6.8530 6.8530 7.7217 7.7217 7.7665 7.7665 8.6097 8.6097 8.6234 8.6234 8.6713 8.6713 9.6385 9.6385 11.6857 11.6904 k = 0.4565 0.5000 0.4565 ( 4236 PWs) bands (ev): -32.2763 -32.2763 -32.2759 -32.2759 -32.2754 -32.2754 -13.6977 -13.6977 -13.6304 -13.6304 -13.6295 -13.6295 -13.3570 -13.3570 -13.2293 -13.2293 -13.1512 -13.1512 -13.1502 -13.1502 -13.0520 -13.0520 -13.0504 -13.0504 -8.3625 -8.3625 -8.3624 -8.3624 -5.8259 -5.8259 -5.8039 -5.8039 -5.8037 -5.8037 1.1976 1.1976 6.8381 6.8381 7.6788 7.6788 7.7548 7.7548 8.6251 8.6251 8.6468 8.6468 8.7170 8.7170 9.6473 9.6473 11.6794 11.6831 k = 0.4457 0.5000 0.4457 ( 4228 PWs) bands (ev): -32.2766 -32.2766 -32.2759 -32.2759 -32.2752 -32.2752 -13.6962 -13.6962 -13.6300 -13.6300 -13.6286 -13.6286 -13.3559 -13.3559 -13.2298 -13.2298 -13.1521 -13.1521 -13.1505 -13.1505 -13.0534 -13.0534 -13.0510 -13.0510 -8.3625 -8.3625 -8.3622 -8.3622 -5.8257 -5.8257 -5.8040 -5.8040 -5.8036 -5.8036 1.1972 1.1972 6.8193 6.8193 7.6293 7.6293 7.7424 7.7424 8.6440 8.6440 8.6730 8.6730 8.7717 8.7717 9.6589 9.6589 11.6698 11.6740 k = 0.4348 0.5000 0.4348 ( 4216 PWs) bands (ev): -32.2769 -32.2769 -32.2759 -32.2759 -32.2749 -32.2749 -13.6944 -13.6944 -13.6294 -13.6294 -13.6275 -13.6275 -13.3546 -13.3546 -13.2304 -13.2304 -13.1532 -13.1532 -13.1510 -13.1510 -13.0551 -13.0551 -13.0518 -13.0518 -8.3624 -8.3624 -8.3621 -8.3621 -5.8254 -5.8254 -5.8040 -5.8040 -5.8035 -5.8035 1.1966 1.1966 6.7968 6.7968 7.5754 7.5754 7.7303 7.7303 8.6666 8.6666 8.7004 8.7004 8.8331 8.8331 9.6738 9.6738 11.6583 11.6643 k = 0.4239 0.5000 0.4239 ( 4212 PWs) bands (ev): -32.2773 -32.2773 -32.2759 -32.2759 -32.2745 -32.2745 -13.6924 -13.6924 -13.6289 -13.6289 -13.6262 -13.6262 -13.3530 -13.3530 -13.2312 -13.2312 -13.1545 -13.1545 -13.1515 -13.1515 -13.0571 -13.0571 -13.0526 -13.0526 -8.3624 -8.3624 -8.3619 -8.3619 -5.8251 -5.8251 -5.8041 -5.8041 -5.8034 -5.8034 1.1958 1.1958 6.7709 6.7709 7.5190 7.5190 7.7193 7.7193 8.6929 8.6929 8.7272 8.7272 8.8995 8.8995 9.6920 9.6920 11.6463 11.6524 k = 0.4130 0.5000 0.4130 ( 4204 PWs) bands (ev): -32.2777 -32.2777 -32.2759 -32.2759 -32.2741 -32.2741 -13.6901 -13.6901 -13.6282 -13.6282 -13.6247 -13.6247 -13.3513 -13.3513 -13.2321 -13.2321 -13.1560 -13.1560 -13.1521 -13.1521 -13.0593 -13.0593 -13.0536 -13.0536 -8.3623 -8.3623 -8.3617 -8.3617 -5.8248 -5.8248 -5.8041 -5.8041 -5.8033 -5.8033 1.1947 1.1947 6.7420 6.7420 7.4614 7.4614 7.7102 7.7102 8.7230 8.7230 8.7521 8.7521 8.9698 8.9698 9.7137 9.7137 11.6318 11.6344 k = 0.4022 0.5000 0.4022 ( 4192 PWs) bands (ev): -32.2782 -32.2782 -32.2759 -32.2759 -32.2736 -32.2736 -13.6876 -13.6876 -13.6274 -13.6274 -13.6230 -13.6230 -13.3493 -13.3493 -13.2332 -13.2332 -13.1576 -13.1576 -13.1527 -13.1527 -13.0618 -13.0618 -13.0546 -13.0546 -8.3622 -8.3622 -8.3615 -8.3615 -5.8244 -5.8244 -5.8042 -5.8042 -5.8031 -5.8031 1.1934 1.1934 6.7102 6.7102 7.4039 7.4039 7.7033 7.7033 8.7566 8.7566 8.7742 8.7742 9.0431 9.0431 9.7389 9.7389 11.6171 11.6218 k = 0.3913 0.5000 0.3913 ( 4196 PWs) bands (ev): -32.2787 -32.2787 -32.2759 -32.2759 -32.2731 -32.2731 -13.6850 -13.6850 -13.6266 -13.6266 -13.6211 -13.6211 -13.3472 -13.3472 -13.2344 -13.2344 -13.1595 -13.1595 -13.1534 -13.1534 -13.0645 -13.0645 -13.0559 -13.0559 -8.3622 -8.3622 -8.3613 -8.3613 -5.8240 -5.8240 -5.8043 -5.8043 -5.8030 -5.8030 1.1916 1.1916 6.6760 6.6760 7.3475 7.3475 7.6989 7.6989 8.7900 8.7900 8.7965 8.7965 9.1186 9.1186 9.7673 9.7673 11.5973 11.6020 k = 0.3804 0.5000 0.3804 ( 4196 PWs) bands (ev): -32.2793 -32.2793 -32.2759 -32.2759 -32.2726 -32.2726 -13.6822 -13.6822 -13.6258 -13.6258 -13.6189 -13.6189 -13.3448 -13.3448 -13.2358 -13.2358 -13.1614 -13.1614 -13.1542 -13.1542 -13.0673 -13.0673 -13.0572 -13.0572 -8.3621 -8.3621 -8.3611 -8.3611 -5.8236 -5.8236 -5.8044 -5.8044 -5.8028 -5.8028 1.1895 1.1895 6.6396 6.6396 7.2931 7.2931 7.6971 7.6971 8.8060 8.8060 8.8358 8.8358 9.1960 9.1960 9.7986 9.7986 11.5771 11.5783 k = 0.3696 0.5000 0.3696 ( 4196 PWs) bands (ev): -32.2799 -32.2799 -32.2759 -32.2759 -32.2720 -32.2720 -13.6793 -13.6793 -13.6248 -13.6248 -13.6166 -13.6166 -13.3422 -13.3422 -13.2374 -13.2374 -13.1635 -13.1635 -13.1551 -13.1551 -13.0702 -13.0702 -13.0585 -13.0585 -8.3620 -8.3620 -8.3609 -8.3609 -5.8232 -5.8232 -5.8045 -5.8045 -5.8027 -5.8027 1.1868 1.1868 6.6013 6.6013 7.2416 7.2416 7.6978 7.6978 8.8165 8.8165 8.8800 8.8800 9.2747 9.2747 9.8324 9.8324 11.5560 11.5563 k = 0.3587 0.5000 0.3587 ( 4188 PWs) bands (ev): -32.2805 -32.2805 -32.2759 -32.2759 -32.2714 -32.2714 -13.6763 -13.6763 -13.6238 -13.6238 -13.6140 -13.6140 -13.3394 -13.3394 -13.2391 -13.2391 -13.1656 -13.1656 -13.1561 -13.1561 -13.0733 -13.0733 -13.0600 -13.0600 -8.3619 -8.3619 -8.3606 -8.3606 -5.8227 -5.8227 -5.8046 -5.8046 -5.8025 -5.8025 1.1836 1.1836 6.5610 6.5610 7.1939 7.1939 7.7010 7.7010 8.8229 8.8229 8.9277 8.9277 9.3544 9.3544 9.8679 9.8679 11.5311 11.5335 k = 0.3478 0.5000 0.3478 ( 4196 PWs) bands (ev): -32.2812 -32.2812 -32.2760 -32.2760 -32.2707 -32.2707 -13.6734 -13.6734 -13.6227 -13.6227 -13.6113 -13.6113 -13.3365 -13.3365 -13.2410 -13.2410 -13.1678 -13.1678 -13.1571 -13.1571 -13.0764 -13.0764 -13.0615 -13.0615 -8.3618 -8.3618 -8.3604 -8.3604 -5.8222 -5.8222 -5.8048 -5.8048 -5.8024 -5.8024 1.1799 1.1799 6.5190 6.5190 7.1507 7.1507 7.7067 7.7067 8.8257 8.8257 8.9786 8.9786 9.4349 9.4349 9.9045 9.9045 11.4999 11.5052 k = 0.3370 0.5000 0.3370 ( 4196 PWs) bands (ev): -32.2820 -32.2820 -32.2760 -32.2760 -32.2700 -32.2700 -13.6705 -13.6705 -13.6216 -13.6216 -13.6083 -13.6083 -13.3333 -13.3333 -13.2431 -13.2431 -13.1700 -13.1700 -13.1582 -13.1582 -13.0796 -13.0796 -13.0631 -13.0631 -8.3618 -8.3618 -8.3602 -8.3602 -5.8218 -5.8218 -5.8049 -5.8049 -5.8022 -5.8022 1.1755 1.1755 6.4752 6.4752 7.1126 7.1126 7.7146 7.7146 8.8252 8.8252 9.0325 9.0325 9.5159 9.5159 9.9416 9.9416 11.4670 11.4807 k = 0.3261 0.5000 0.3261 ( 4188 PWs) bands (ev): -32.2827 -32.2827 -32.2760 -32.2760 -32.2693 -32.2693 -13.6675 -13.6675 -13.6203 -13.6203 -13.6051 -13.6051 -13.3300 -13.3300 -13.2455 -13.2455 -13.1722 -13.1722 -13.1593 -13.1593 -13.0829 -13.0829 -13.0647 -13.0647 -8.3617 -8.3617 -8.3599 -8.3599 -5.8213 -5.8213 -5.8051 -5.8051 -5.8021 -5.8021 1.1704 1.1704 6.4298 6.4298 7.0803 7.0803 7.7246 7.7246 8.8218 8.8218 9.0894 9.0894 9.5974 9.5974 9.9784 9.9784 11.4331 11.4509 k = 0.3152 0.5000 0.3152 ( 4192 PWs) bands (ev): -32.2835 -32.2835 -32.2760 -32.2760 -32.2685 -32.2685 -13.6647 -13.6647 -13.6191 -13.6191 -13.6018 -13.6018 -13.3265 -13.3265 -13.2480 -13.2480 -13.1744 -13.1744 -13.1605 -13.1605 -13.0862 -13.0862 -13.0663 -13.0663 -8.3616 -8.3616 -8.3597 -8.3597 -5.8208 -5.8208 -5.8053 -5.8053 -5.8020 -5.8020 1.1647 1.1647 6.3829 6.3829 7.0541 7.0541 7.7368 7.7368 8.8160 8.8160 9.1490 9.1490 9.6789 9.6789 10.0144 10.0144 11.3943 11.4007 k = 0.3043 0.5000 0.3043 ( 4196 PWs) bands (ev): -32.2843 -32.2843 -32.2760 -32.2760 -32.2677 -32.2677 -13.6620 -13.6620 -13.6177 -13.6177 -13.5982 -13.5982 -13.3229 -13.3229 -13.2507 -13.2507 -13.1764 -13.1764 -13.1617 -13.1617 -13.0896 -13.0896 -13.0680 -13.0680 -8.3615 -8.3615 -8.3595 -8.3595 -5.8203 -5.8203 -5.8054 -5.8054 -5.8019 -5.8019 1.1583 1.1583 6.3345 6.3345 7.0344 7.0344 7.7509 7.7509 8.8081 8.8081 9.2111 9.2111 9.7606 9.7606 10.0491 10.0491 11.3539 11.3545 k = 0.2935 0.5000 0.2935 ( 4196 PWs) bands (ev): -32.2851 -32.2851 -32.2760 -32.2760 -32.2669 -32.2669 -13.6595 -13.6595 -13.6164 -13.6164 -13.5945 -13.5945 -13.3192 -13.3192 -13.2536 -13.2536 -13.1784 -13.1784 -13.1630 -13.1630 -13.0930 -13.0930 -13.0696 -13.0696 -8.3614 -8.3614 -8.3593 -8.3593 -5.8198 -5.8198 -5.8056 -5.8056 -5.8018 -5.8018 1.1511 1.1511 6.2850 6.2850 7.0214 7.0214 7.7669 7.7669 8.7984 8.7984 9.2755 9.2755 9.8422 9.8422 10.0822 10.0822 11.3110 11.3206 k = 0.2826 0.5000 0.2826 ( 4204 PWs) bands (ev): -32.2860 -32.2860 -32.2761 -32.2761 -32.2661 -32.2661 -13.6572 -13.6572 -13.6149 -13.6149 -13.5908 -13.5908 -13.3155 -13.3155 -13.2566 -13.2566 -13.1803 -13.1803 -13.1644 -13.1644 -13.0963 -13.0963 -13.0712 -13.0712 -8.3613 -8.3613 -8.3591 -8.3591 -5.8193 -5.8193 -5.8059 -5.8059 -5.8017 -5.8017 1.1433 1.1433 6.2346 6.2346 7.0151 7.0151 7.7846 7.7846 8.7874 8.7874 9.3422 9.3422 9.9235 9.9235 10.1133 10.1133 11.2669 11.2690 k = 0.2717 0.5000 0.2717 ( 4212 PWs) bands (ev): -32.2868 -32.2868 -32.2761 -32.2761 -32.2653 -32.2653 -13.6551 -13.6551 -13.6134 -13.6134 -13.5869 -13.5869 -13.3117 -13.3117 -13.2598 -13.2598 -13.1820 -13.1820 -13.1657 -13.1657 -13.0997 -13.0997 -13.0727 -13.0727 -8.3613 -8.3613 -8.3590 -8.3590 -5.8188 -5.8188 -5.8061 -5.8061 -5.8017 -5.8017 1.1348 1.1348 6.1836 6.1836 7.0154 7.0154 7.8041 7.8041 8.7753 8.7753 9.4108 9.4108 10.0043 10.0043 10.1425 10.1425 11.2201 11.2286 k = 0.2609 0.5000 0.2609 ( 4214 PWs) bands (ev): -32.2877 -32.2877 -32.2761 -32.2761 -32.2645 -32.2645 -13.6531 -13.6531 -13.6118 -13.6118 -13.5829 -13.5829 -13.3078 -13.3078 -13.2629 -13.2629 -13.1836 -13.1836 -13.1672 -13.1672 -13.1031 -13.1031 -13.0742 -13.0742 -8.3612 -8.3612 -8.3588 -8.3588 -5.8184 -5.8184 -5.8063 -5.8063 -5.8016 -5.8016 1.1256 1.1256 6.1324 6.1324 7.0221 7.0221 7.8252 7.8252 8.7624 8.7624 9.4811 9.4811 10.0837 10.0837 10.1705 10.1705 11.1720 11.1720 k = 0.2500 0.5000 0.2500 ( 4210 PWs) bands (ev): -32.2885 -32.2885 -32.2761 -32.2761 -32.2636 -32.2636 -13.6514 -13.6514 -13.6101 -13.6101 -13.5789 -13.5789 -13.3041 -13.3041 -13.2660 -13.2660 -13.1850 -13.1850 -13.1686 -13.1686 -13.1065 -13.1065 -13.0755 -13.0755 -8.3611 -8.3611 -8.3587 -8.3587 -5.8179 -5.8179 -5.8066 -5.8066 -5.8016 -5.8016 1.1158 1.1158 6.0813 6.0813 7.0351 7.0351 7.8478 7.8478 8.7490 8.7490 9.5529 9.5529 10.1567 10.1567 10.2021 10.2021 11.1229 11.1229 k = 0.2391 0.5000 0.2391 ( 4214 PWs) bands (ev): -32.2894 -32.2894 -32.2761 -32.2761 -32.2628 -32.2628 -13.6499 -13.6499 -13.6084 -13.6084 -13.5749 -13.5749 -13.3006 -13.3006 -13.2689 -13.2689 -13.1863 -13.1863 -13.1700 -13.1700 -13.1099 -13.1099 -13.0768 -13.0768 -8.3611 -8.3611 -8.3586 -8.3586 -5.8175 -5.8175 -5.8069 -5.8069 -5.8016 -5.8016 1.1055 1.1055 6.0306 6.0306 7.0542 7.0542 7.8720 7.8720 8.7352 8.7352 9.6260 9.6260 10.2008 10.2008 10.2598 10.2598 11.0728 11.0728 k = 0.2283 0.5000 0.2283 ( 4214 PWs) bands (ev): -32.2903 -32.2903 -32.2761 -32.2761 -32.2620 -32.2620 -13.6487 -13.6487 -13.6066 -13.6066 -13.5710 -13.5710 -13.2974 -13.2974 -13.2713 -13.2713 -13.1874 -13.1874 -13.1715 -13.1715 -13.1133 -13.1133 -13.0780 -13.0780 -8.3611 -8.3611 -8.3585 -8.3585 -5.8171 -5.8171 -5.8071 -5.8071 -5.8016 -5.8016 1.0947 1.0947 5.9806 5.9806 7.0789 7.0789 7.8976 7.8976 8.7213 8.7213 9.7001 9.7001 10.2239 10.2239 10.3355 10.3355 11.0219 11.0219 k = 0.2174 0.5000 0.2174 ( 4216 PWs) bands (ev): -32.2911 -32.2911 -32.2762 -32.2762 -32.2612 -32.2612 -13.6477 -13.6477 -13.6047 -13.6047 -13.5671 -13.5671 -13.2951 -13.2951 -13.2729 -13.2729 -13.1884 -13.1884 -13.1729 -13.1729 -13.1167 -13.1167 -13.0789 -13.0789 -8.3611 -8.3611 -8.3584 -8.3584 -5.8167 -5.8167 -5.8074 -5.8074 -5.8017 -5.8017 1.0835 1.0835 5.9315 5.9315 7.1090 7.1090 7.9246 7.9246 8.7074 8.7074 9.7749 9.7749 10.2418 10.2418 10.4138 10.4138 10.9705 10.9705 k = 0.2065 0.5000 0.2065 ( 4216 PWs) bands (ev): -32.2920 -32.2920 -32.2762 -32.2762 -32.2603 -32.2603 -13.6469 -13.6469 -13.6028 -13.6028 -13.5634 -13.5634 -13.2940 -13.2940 -13.2732 -13.2732 -13.1893 -13.1893 -13.1744 -13.1744 -13.1202 -13.1202 -13.0798 -13.0798 -8.3611 -8.3611 -8.3583 -8.3583 -5.8163 -5.8163 -5.8077 -5.8077 -5.8017 -5.8017 1.0720 1.0720 5.8836 5.8836 7.1441 7.1441 7.9529 7.9529 8.6937 8.6937 9.8501 9.8501 10.2569 10.2569 10.4919 10.4919 10.9189 10.9189 k = 0.1957 0.5000 0.1957 ( 4208 PWs) bands (ev): -32.2928 -32.2928 -32.2762 -32.2762 -32.2595 -32.2595 -13.6463 -13.6463 -13.6008 -13.6008 -13.5597 -13.5597 -13.2944 -13.2944 -13.2719 -13.2719 -13.1902 -13.1902 -13.1758 -13.1758 -13.1236 -13.1236 -13.0804 -13.0804 -8.3611 -8.3611 -8.3582 -8.3582 -5.8159 -5.8159 -5.8080 -5.8080 -5.8018 -5.8018 1.0603 1.0603 5.8372 5.8372 7.1838 7.1838 7.9826 7.9826 8.6803 8.6803 9.9256 9.9256 10.2699 10.2699 10.5692 10.5692 10.8673 10.8673 k = 0.1848 0.5000 0.1848 ( 4212 PWs) bands (ev): -32.2936 -32.2936 -32.2762 -32.2762 -32.2588 -32.2588 -13.6460 -13.6460 -13.5988 -13.5988 -13.5562 -13.5562 -13.2959 -13.2959 -13.2695 -13.2695 -13.1910 -13.1910 -13.1772 -13.1772 -13.1271 -13.1271 -13.0809 -13.0809 -8.3611 -8.3611 -8.3582 -8.3582 -5.8156 -5.8156 -5.8083 -5.8083 -5.8019 -5.8019 1.0484 1.0484 5.7923 5.7923 7.2275 7.2275 8.0136 8.0136 8.6673 8.6673 10.0009 10.0009 10.2811 10.2811 10.6449 10.6449 10.8161 10.8161 k = 0.1739 0.5000 0.1739 ( 4196 PWs) bands (ev): -32.2944 -32.2944 -32.2762 -32.2762 -32.2580 -32.2580 -13.6458 -13.6458 -13.5968 -13.5968 -13.5528 -13.5528 -13.2979 -13.2979 -13.2663 -13.2663 -13.1917 -13.1917 -13.1786 -13.1786 -13.1305 -13.1305 -13.0811 -13.0811 -8.3611 -8.3611 -8.3581 -8.3581 -5.8153 -5.8153 -5.8087 -5.8087 -5.8020 -5.8020 1.0366 1.0366 5.7492 5.7492 7.2748 7.2748 8.0459 8.0459 8.6550 8.6550 10.0757 10.0757 10.2910 10.2910 10.7175 10.7175 10.7664 10.7664 k = 0.1630 0.5000 0.1630 ( 4196 PWs) bands (ev): -32.2951 -32.2951 -32.2762 -32.2762 -32.2573 -32.2573 -13.6458 -13.6458 -13.5947 -13.5947 -13.5497 -13.5497 -13.3002 -13.3002 -13.2627 -13.2627 -13.1924 -13.1924 -13.1799 -13.1799 -13.1339 -13.1339 -13.0812 -13.0812 -8.3612 -8.3612 -8.3581 -8.3581 -5.8151 -5.8151 -5.8090 -5.8090 -5.8021 -5.8021 1.0247 1.0247 5.7080 5.7080 7.3250 7.3250 8.0795 8.0795 8.6433 8.6433 10.1496 10.1496 10.2998 10.2998 10.7137 10.7137 10.7908 10.7908 k = 0.1522 0.5000 0.1522 ( 4212 PWs) bands (ev): -32.2958 -32.2958 -32.2763 -32.2763 -32.2566 -32.2566 -13.6461 -13.6461 -13.5928 -13.5928 -13.5468 -13.5468 -13.3026 -13.3026 -13.2590 -13.2590 -13.1932 -13.1932 -13.1812 -13.1812 -13.1374 -13.1374 -13.0812 -13.0812 -8.3613 -8.3613 -8.3580 -8.3580 -5.8149 -5.8149 -5.8092 -5.8092 -5.8022 -5.8022 1.0131 1.0131 5.6689 5.6689 7.3775 7.3775 8.1143 8.1143 8.6324 8.6324 10.2223 10.2223 10.3075 10.3075 10.6652 10.6652 10.8560 10.8560 k = 0.1413 0.5000 0.1413 ( 4198 PWs) bands (ev): -32.2965 -32.2965 -32.2763 -32.2763 -32.2559 -32.2559 -13.6463 -13.6463 -13.5907 -13.5907 -13.5440 -13.5440 -13.3048 -13.3048 -13.2551 -13.2551 -13.1940 -13.1940 -13.1824 -13.1824 -13.1409 -13.1409 -13.0810 -13.0810 -8.3614 -8.3614 -8.3580 -8.3580 -5.8147 -5.8147 -5.8095 -5.8095 -5.8023 -5.8023 1.0018 1.0018 5.6320 5.6320 7.4316 7.4316 8.1505 8.1505 8.6223 8.6223 10.2933 10.2933 10.3148 10.3148 10.6178 10.6178 10.9143 10.9143 k = 0.1304 0.5000 0.1304 ( 4198 PWs) bands (ev): -32.2972 -32.2972 -32.2763 -32.2763 -32.2553 -32.2553 -13.6468 -13.6468 -13.5888 -13.5888 -13.5415 -13.5415 -13.3069 -13.3069 -13.2512 -13.2512 -13.1948 -13.1948 -13.1835 -13.1835 -13.1443 -13.1443 -13.0806 -13.0806 -8.3615 -8.3615 -8.3579 -8.3579 -5.8146 -5.8146 -5.8098 -5.8098 -5.8024 -5.8024 0.9908 0.9908 5.5974 5.5974 7.4862 7.4862 8.1880 8.1880 8.6131 8.6131 10.3209 10.3209 10.3629 10.3629 10.5719 10.5719 10.9604 10.9605 k = 0.1196 0.5000 0.1196 ( 4198 PWs) bands (ev): -32.2978 -32.2978 -32.2763 -32.2763 -32.2547 -32.2547 -13.6473 -13.6473 -13.5869 -13.5869 -13.5392 -13.5392 -13.3089 -13.3089 -13.2473 -13.2473 -13.1956 -13.1956 -13.1846 -13.1846 -13.1477 -13.1477 -13.0801 -13.0801 -8.3616 -8.3616 -8.3579 -8.3579 -5.8145 -5.8145 -5.8100 -5.8100 -5.8025 -5.8025 0.9803 0.9803 5.5652 5.5652 7.5407 7.5407 8.2268 8.2268 8.6048 8.6048 10.3270 10.3270 10.4294 10.4294 10.5280 10.5280 10.9715 10.9721 k = 0.1087 0.5000 0.1087 ( 4206 PWs) bands (ev): -32.2983 -32.2983 -32.2763 -32.2763 -32.2541 -32.2541 -13.6479 -13.6479 -13.5852 -13.5852 -13.5371 -13.5371 -13.3107 -13.3107 -13.2434 -13.2434 -13.1964 -13.1964 -13.1857 -13.1857 -13.1510 -13.1510 -13.0795 -13.0795 -8.3617 -8.3617 -8.3579 -8.3579 -5.8144 -5.8144 -5.8102 -5.8102 -5.8026 -5.8026 0.9704 0.9704 5.5355 5.5355 7.5939 7.5939 8.2668 8.2668 8.5975 8.5975 10.3327 10.3327 10.4841 10.4841 10.4954 10.4954 10.9545 10.9546 k = 0.0978 0.5000 0.0978 ( 4198 PWs) bands (ev): -32.2989 -32.2989 -32.2763 -32.2763 -32.2536 -32.2536 -13.6486 -13.6486 -13.5835 -13.5835 -13.5352 -13.5352 -13.3123 -13.3123 -13.2396 -13.2396 -13.1973 -13.1973 -13.1868 -13.1868 -13.1541 -13.1541 -13.0788 -13.0788 -8.3618 -8.3618 -8.3578 -8.3578 -5.8144 -5.8144 -5.8103 -5.8103 -5.8027 -5.8027 0.9611 0.9611 5.5083 5.5083 7.6448 7.6448 8.3079 8.3079 8.5912 8.5912 10.3381 10.3381 10.4467 10.4467 10.5540 10.5540 10.9368 10.9368 k = 0.0870 0.5000 0.0870 ( 4196 PWs) bands (ev): -32.2993 -32.2993 -32.2763 -32.2763 -32.2532 -32.2532 -13.6492 -13.6492 -13.5819 -13.5819 -13.5336 -13.5336 -13.3137 -13.3137 -13.2358 -13.2358 -13.1981 -13.1981 -13.1879 -13.1879 -13.1572 -13.1572 -13.0781 -13.0781 -8.3619 -8.3619 -8.3578 -8.3578 -5.8145 -5.8145 -5.8104 -5.8104 -5.8027 -5.8027 0.9526 0.9526 5.4839 5.4839 7.6926 7.6926 8.3497 8.3497 8.5860 8.5860 10.3433 10.3433 10.4105 10.4105 10.6103 10.6103 10.9199 10.9199 k = 0.0761 0.5000 0.0761 ( 4192 PWs) bands (ev): -32.2997 -32.2997 -32.2763 -32.2763 -32.2527 -32.2527 -13.6498 -13.6498 -13.5804 -13.5804 -13.5322 -13.5322 -13.3149 -13.3149 -13.2320 -13.2320 -13.1989 -13.1989 -13.1891 -13.1891 -13.1600 -13.1600 -13.0774 -13.0774 -8.3620 -8.3620 -8.3578 -8.3578 -5.8145 -5.8145 -5.8105 -5.8105 -5.8028 -5.8028 0.9450 0.9450 5.4622 5.4622 7.7363 7.7363 8.3915 8.3915 8.5816 8.5816 10.3482 10.3482 10.3774 10.3774 10.6620 10.6620 10.9043 10.9127 k = 0.0652 0.5000 0.0652 ( 4194 PWs) bands (ev): -32.3001 -32.3001 -32.2763 -32.2763 -32.2524 -32.2524 -13.6504 -13.6504 -13.5792 -13.5792 -13.5310 -13.5310 -13.3159 -13.3159 -13.2284 -13.2284 -13.1996 -13.1996 -13.1904 -13.1904 -13.1627 -13.1627 -13.0767 -13.0767 -8.3621 -8.3621 -8.3577 -8.3577 -5.8146 -5.8146 -5.8105 -5.8105 -5.8029 -5.8029 0.9381 0.9381 5.4432 5.4432 7.7752 7.7752 8.4326 8.4326 8.5782 8.5782 10.3479 10.3479 10.3526 10.3526 10.7084 10.7084 10.8586 10.8586 k = 0.0543 0.5000 0.0543 ( 4182 PWs) bands (ev): -32.3004 -32.3004 -32.2763 -32.2763 -32.2521 -32.2521 -13.6509 -13.6509 -13.5780 -13.5780 -13.5300 -13.5300 -13.3167 -13.3167 -13.2248 -13.2248 -13.2003 -13.2003 -13.1918 -13.1918 -13.1650 -13.1650 -13.0761 -13.0761 -8.3622 -8.3622 -8.3577 -8.3577 -5.8147 -5.8147 -5.8106 -5.8106 -5.8029 -5.8029 0.9323 0.9323 5.4271 5.4271 7.8087 7.8087 8.4716 8.4716 8.5757 8.5757 10.3223 10.3223 10.3566 10.3566 10.7480 10.7480 10.8040 10.8040 k = 0.0435 0.5000 0.0435 ( 4178 PWs) bands (ev): -32.3007 -32.3007 -32.2764 -32.2764 -32.2518 -32.2518 -13.6513 -13.6513 -13.5771 -13.5771 -13.5292 -13.5292 -13.3174 -13.3174 -13.2215 -13.2215 -13.2008 -13.2008 -13.1934 -13.1934 -13.1669 -13.1669 -13.0756 -13.0756 -8.3623 -8.3623 -8.3577 -8.3577 -5.8148 -5.8148 -5.8106 -5.8106 -5.8030 -5.8030 0.9274 0.9274 5.4139 5.4139 7.8364 7.8364 8.5071 8.5071 8.5738 8.5738 10.3009 10.3009 10.3601 10.3601 10.7469 10.7469 10.7875 10.7875 k = 0.0326 0.5000 0.0326 ( 4178 PWs) bands (ev): -32.3009 -32.3009 -32.2764 -32.2764 -32.2516 -32.2516 -13.6517 -13.6517 -13.5763 -13.5763 -13.5286 -13.5286 -13.3179 -13.3179 -13.2184 -13.2184 -13.2013 -13.2013 -13.1951 -13.1951 -13.1684 -13.1684 -13.0751 -13.0751 -8.3624 -8.3624 -8.3577 -8.3577 -5.8149 -5.8149 -5.8106 -5.8106 -5.8030 -5.8030 0.9236 0.9236 5.4035 5.4035 7.8580 7.8580 8.5372 8.5372 8.5725 8.5725 10.2839 10.2839 10.3630 10.3630 10.7042 10.7042 10.8130 10.8130 k = 0.0217 0.5000 0.0217 ( 4170 PWs) bands (ev): -32.3010 -32.3010 -32.2764 -32.2764 -32.2515 -32.2515 -13.6520 -13.6520 -13.5758 -13.5758 -13.5281 -13.5281 -13.3182 -13.3182 -13.2157 -13.2157 -13.2016 -13.2016 -13.1968 -13.1968 -13.1695 -13.1695 -13.0748 -13.0748 -8.3624 -8.3624 -8.3577 -8.3577 -5.8149 -5.8149 -5.8106 -5.8106 -5.8030 -5.8030 0.9208 0.9208 5.3961 5.3961 7.8735 7.8735 8.5601 8.5601 8.5719 8.5719 10.2715 10.2715 10.3652 10.3652 10.6704 10.6704 10.8325 10.8326 k = 0.0109 0.5000 0.0109 ( 4158 PWs) bands (ev): -32.3011 -32.3011 -32.2764 -32.2764 -32.2514 -32.2514 -13.6522 -13.6522 -13.5754 -13.5754 -13.5278 -13.5278 -13.3184 -13.3184 -13.2138 -13.2138 -13.2018 -13.2018 -13.1981 -13.1981 -13.1701 -13.1701 -13.0745 -13.0745 -8.3624 -8.3624 -8.3577 -8.3577 -5.8150 -5.8150 -5.8106 -5.8106 -5.8030 -5.8030 0.9192 0.9192 5.3917 5.3917 7.8828 7.8828 8.5704 8.5704 8.5757 8.5757 10.2641 10.2641 10.3666 10.3666 10.6492 10.6492 10.8436 10.8477 k = 0.0000 0.5000-0.0000 ( 4140 PWs) bands (ev): -32.3011 -32.3011 -32.2763 -32.2763 -32.2514 -32.2514 -13.6522 -13.6522 -13.5753 -13.5753 -13.5276 -13.5276 -13.3185 -13.3185 -13.2130 -13.2130 -13.2019 -13.2019 -13.1986 -13.1986 -13.1703 -13.1703 -13.0743 -13.0743 -8.3624 -8.3624 -8.3577 -8.3577 -5.8150 -5.8150 -5.8106 -5.8106 -5.8030 -5.8030 0.9186 0.9186 5.3902 5.3902 7.8859 7.8859 8.5706 8.5706 8.5804 8.5804 10.2616 10.2616 10.3672 10.3672 10.6419 10.6419 10.8460 10.8461 k = 0.5000 0.5000-0.0000 ( 4196 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6188 -13.6188 -13.6145 -13.6145 -13.5777 -13.5777 -13.2719 -13.2719 -13.2689 -13.2689 -13.2072 -13.2072 -13.1987 -13.1987 -13.0990 -13.0990 -13.0951 -13.0951 -8.3587 -8.3587 -8.3584 -8.3584 -5.8166 -5.8166 -5.8061 -5.8061 -5.7980 -5.7980 1.1861 1.1861 6.0803 6.0803 6.5758 6.5758 8.1365 8.1365 8.2041 8.2041 10.2472 10.2472 10.4770 10.4770 10.5189 10.5189 11.2050 11.2060 k = 0.5000 0.5000 0.0152 ( 4196 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6188 -13.6188 -13.6147 -13.6147 -13.5779 -13.5779 -13.2724 -13.2724 -13.2687 -13.2687 -13.2068 -13.2068 -13.1986 -13.1986 -13.0989 -13.0989 -13.0950 -13.0950 -8.3587 -8.3587 -8.3584 -8.3584 -5.8166 -5.8166 -5.8061 -5.8061 -5.7981 -5.7981 1.1861 1.1861 6.0817 6.0817 6.5774 6.5774 8.1374 8.1374 8.2024 8.2024 10.2452 10.2452 10.4712 10.4712 10.5136 10.5136 11.2074 11.2113 k = 0.5000 0.5000 0.0303 ( 4208 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6189 -13.6189 -13.6155 -13.6155 -13.5783 -13.5783 -13.2739 -13.2739 -13.2683 -13.2683 -13.2055 -13.2055 -13.1983 -13.1983 -13.0986 -13.0986 -13.0948 -13.0948 -8.3587 -8.3587 -8.3584 -8.3584 -5.8167 -5.8167 -5.8061 -5.8061 -5.7981 -5.7981 1.1862 1.1862 6.0859 6.0859 6.5821 6.5821 8.1400 8.1400 8.1973 8.1973 10.2392 10.2392 10.4540 10.4540 10.4979 10.4979 11.2156 11.2165 k = 0.5000 0.5000 0.0455 ( 4192 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6190 -13.6190 -13.6166 -13.6166 -13.5790 -13.5790 -13.2760 -13.2760 -13.2676 -13.2676 -13.2035 -13.2035 -13.1976 -13.1976 -13.0981 -13.0981 -13.0943 -13.0943 -8.3588 -8.3588 -8.3584 -8.3584 -5.8168 -5.8168 -5.8061 -5.8061 -5.7982 -5.7982 1.1863 1.1863 6.0928 6.0928 6.5901 6.5901 8.1444 8.1444 8.1889 8.1889 10.2294 10.2294 10.4264 10.4264 10.4727 10.4727 11.2284 11.2334 k = 0.5000 0.5000 0.0606 ( 4204 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6192 -13.6192 -13.6182 -13.6182 -13.5800 -13.5800 -13.2789 -13.2789 -13.2666 -13.2666 -13.2010 -13.2010 -13.1967 -13.1967 -13.0974 -13.0974 -13.0938 -13.0938 -8.3588 -8.3588 -8.3585 -8.3585 -5.8169 -5.8169 -5.8061 -5.8061 -5.7983 -5.7983 1.1865 1.1865 6.1025 6.1025 6.6011 6.6011 8.1506 8.1506 8.1773 8.1773 10.2159 10.2159 10.3895 10.3895 10.4390 10.4390 11.2447 11.2449 k = 0.5000 0.5000 0.0758 ( 4196 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6202 -13.6202 -13.6194 -13.6194 -13.5812 -13.5812 -13.2823 -13.2823 -13.2654 -13.2654 -13.1980 -13.1980 -13.1956 -13.1956 -13.0965 -13.0965 -13.0930 -13.0930 -8.3589 -8.3589 -8.3586 -8.3586 -5.8171 -5.8171 -5.8060 -5.8060 -5.7984 -5.7984 1.1867 1.1867 6.1149 6.1149 6.6153 6.6153 8.1584 8.1584 8.1628 8.1628 10.1993 10.1993 10.3449 10.3449 10.3980 10.3980 11.2638 11.2641 k = 0.5000 0.5000 0.0909 ( 4204 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6225 -13.6225 -13.6196 -13.6196 -13.5826 -13.5826 -13.2861 -13.2861 -13.2640 -13.2640 -13.1948 -13.1948 -13.1943 -13.1943 -13.0954 -13.0954 -13.0922 -13.0922 -8.3590 -8.3590 -8.3587 -8.3587 -5.8173 -5.8173 -5.8060 -5.8060 -5.7986 -5.7986 1.1869 1.1869 6.1299 6.1299 6.6326 6.6326 8.1455 8.1455 8.1679 8.1679 10.1796 10.1796 10.2936 10.2936 10.3507 10.3507 11.2844 11.2846 k = 0.5000 0.5000 0.1061 ( 4204 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6253 -13.6253 -13.6199 -13.6199 -13.5843 -13.5843 -13.2900 -13.2900 -13.2624 -13.2624 -13.1928 -13.1928 -13.1915 -13.1915 -13.0941 -13.0941 -13.0911 -13.0911 -8.3591 -8.3591 -8.3588 -8.3588 -5.8175 -5.8175 -5.8059 -5.8059 -5.7988 -5.7988 1.1872 1.1872 6.1476 6.1476 6.6530 6.6530 8.1257 8.1257 8.1790 8.1790 10.1575 10.1575 10.2368 10.2368 10.2981 10.2981 11.3061 11.3062 k = 0.5000 0.5000 0.1212 ( 4212 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -32.2761 -13.6283 -13.6283 -13.6203 -13.6203 -13.5861 -13.5861 -13.2942 -13.2942 -13.2607 -13.2607 -13.1912 -13.1912 -13.1881 -13.1881 -13.0927 -13.0927 -13.0899 -13.0899 -8.3592 -8.3592 -8.3589 -8.3589 -5.8178 -5.8178 -5.8058 -5.8058 -5.7990 -5.7990 1.1876 1.1876 6.1678 6.1678 6.6764 6.6764 8.1038 8.1038 8.1916 8.1916 10.1333 10.1333 10.1754 10.1754 10.2411 10.2411 11.3283 11.3285 k = 0.5000 0.5000 0.1364 ( 4196 PWs) bands (ev): -32.2761 -32.2761 -32.2761 -32.2761 -32.2760 -32.2760 -13.6316 -13.6316 -13.6206 -13.6206 -13.5881 -13.5881 -13.2984 -13.2984 -13.2588 -13.2588 -13.1893 -13.1893 -13.1847 -13.1847 -13.0911 -13.0911 -13.0885 -13.0885 -8.3594 -8.3594 -8.3591 -8.3591 -5.8181 -5.8181 -5.8058 -5.8058 -5.7992 -5.7992 1.1880 1.1880 6.1905 6.1905 6.7028 6.7028 8.0800 8.0800 8.2056 8.2056 10.1074 10.1074 10.1103 10.1103 10.1804 10.1804 11.3506 11.3507 k = 0.5000 0.5000 0.1515 ( 4204 PWs) bands (ev): -32.2761 -32.2761 -32.2760 -32.2760 -32.2760 -32.2760 -13.6351 -13.6351 -13.6210 -13.6210 -13.5903 -13.5903 -13.3027 -13.3027 -13.2568 -13.2568 -13.1873 -13.1873 -13.1814 -13.1814 -13.0893 -13.0893 -13.0870 -13.0870 -8.3595 -8.3595 -8.3592 -8.3592 -5.8185 -5.8185 -5.8057 -5.8057 -5.7995 -5.7995 1.1884 1.1884 6.2155 6.2155 6.7321 6.7321 8.0547 8.0547 8.2210 8.2210 10.0420 10.0420 10.0800 10.0800 10.1166 10.1166 11.3729 11.3743 k = 0.5000 0.5000 0.1667 ( 4204 PWs) bands (ev): -32.2761 -32.2761 -32.2760 -32.2760 -32.2760 -32.2760 -13.6388 -13.6388 -13.6215 -13.6215 -13.5926 -13.5926 -13.3069 -13.3069 -13.2548 -13.2548 -13.1852 -13.1852 -13.1782 -13.1782 -13.0874 -13.0874 -13.0853 -13.0853 -8.3597 -8.3597 -8.3594 -8.3594 -5.8188 -5.8188 -5.8056 -5.8056 -5.7997 -5.7997 1.1889 1.1889 6.2428 6.2428 6.7643 6.7643 8.0283 8.0283 8.2377 8.2377 9.9710 9.9710 10.0468 10.0468 10.0549 10.0549 11.3950 11.3958 k = 0.5000 0.5000 0.1818 ( 4204 PWs) bands (ev): -32.2761 -32.2761 -32.2760 -32.2760 -32.2760 -32.2760 -13.6427 -13.6427 -13.6220 -13.6220 -13.5949 -13.5949 -13.3111 -13.3111 -13.2528 -13.2528 -13.1830 -13.1830 -13.1752 -13.1752 -13.0854 -13.0854 -13.0835 -13.0835 -8.3598 -8.3598 -8.3596 -8.3596 -5.8192 -5.8192 -5.8055 -5.8055 -5.8000 -5.8000 1.1894 1.1894 6.2723 6.2723 6.7993 6.7993 8.0010 8.0010 8.2555 8.2555 9.8979 9.8979 9.9800 9.9800 10.0238 10.0238 11.4167 11.4186 k = 0.5000 0.5000 0.1970 ( 4204 PWs) bands (ev): -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -13.6467 -13.6467 -13.6225 -13.6225 -13.5974 -13.5974 -13.3152 -13.3152 -13.2507 -13.2507 -13.1808 -13.1808 -13.1723 -13.1723 -13.0832 -13.0832 -13.0815 -13.0815 -8.3600 -8.3600 -8.3598 -8.3598 -5.8196 -5.8196 -5.8054 -5.8054 -5.8003 -5.8003 1.1899 1.1899 6.3037 6.3037 6.8371 6.8371 7.9734 7.9734 8.2743 8.2743 9.8230 9.8230 9.9089 9.9089 9.9946 9.9946 11.4381 11.4389 k = 0.5000 0.5000 0.2121 ( 4204 PWs) bands (ev): -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -13.6508 -13.6508 -13.6230 -13.6230 -13.5999 -13.5999 -13.3191 -13.3191 -13.2487 -13.2487 -13.1784 -13.1784 -13.1697 -13.1697 -13.0810 -13.0810 -13.0795 -13.0795 -8.3602 -8.3602 -8.3600 -8.3600 -5.8201 -5.8201 -5.8053 -5.8053 -5.8005 -5.8005 1.1904 1.1904 6.3369 6.3369 6.8775 6.8775 7.9458 7.9458 8.2941 8.2941 9.7468 9.7468 9.8360 9.8360 9.9653 9.9653 11.4593 11.4607 k = 0.5000 0.5000 0.2273 ( 4192 PWs) bands (ev): -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -13.6548 -13.6548 -13.6236 -13.6236 -13.6024 -13.6024 -13.3230 -13.3230 -13.2467 -13.2467 -13.1761 -13.1761 -13.1672 -13.1672 -13.0786 -13.0786 -13.0773 -13.0773 -8.3604 -8.3604 -8.3602 -8.3602 -5.8205 -5.8205 -5.8052 -5.8052 -5.8008 -5.8008 1.1910 1.1910 6.3717 6.3717 6.9205 6.9205 7.9186 7.9186 8.3145 8.3145 9.6694 9.6694 9.7616 9.7616 9.9364 9.9364 11.4798 11.4801 k = 0.5000 0.5000 0.2424 ( 4208 PWs) bands (ev): -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -13.6590 -13.6590 -13.6242 -13.6242 -13.6049 -13.6049 -13.3267 -13.3267 -13.2448 -13.2448 -13.1737 -13.1737 -13.1649 -13.1649 -13.0763 -13.0763 -13.0751 -13.0751 -8.3606 -8.3606 -8.3604 -8.3604 -5.8210 -5.8210 -5.8051 -5.8051 -5.8011 -5.8011 1.1916 1.1916 6.4080 6.4080 6.9660 6.9660 7.8920 7.8920 8.3356 8.3356 9.5913 9.5913 9.6860 9.6860 9.9078 9.9078 11.5001 11.5003 k = 0.5000 0.5000 0.2576 ( 4192 PWs) bands (ev): -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -13.6630 -13.6630 -13.6247 -13.6247 -13.6074 -13.6074 -13.3302 -13.3302 -13.2429 -13.2429 -13.1714 -13.1714 -13.1628 -13.1628 -13.0738 -13.0738 -13.0728 -13.0728 -8.3607 -8.3607 -8.3606 -8.3606 -5.8214 -5.8214 -5.8050 -5.8050 -5.8014 -5.8014 1.1921 1.1921 6.4454 6.4454 7.0138 7.0138 7.8667 7.8667 8.3571 8.3571 9.5128 9.5128 9.6094 9.6094 9.8799 9.8799 11.5195 11.5200 k = 0.5000 0.5000 0.2727 ( 4192 PWs) bands (ev): -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -32.2760 -13.6669 -13.6669 -13.6253 -13.6253 -13.6099 -13.6099 -13.3336 -13.3336 -13.2411 -13.2411 -13.1691 -13.1691 -13.1610 -13.1610 -13.0714 -13.0714 -13.0705 -13.0705 -8.3609 -8.3609 -8.3608 -8.3608 -5.8219 -5.8219 -5.8048 -5.8048 -5.8016 -5.8016 1.1927 1.1927 6.4836 6.4836 7.0638 7.0638 7.8429 7.8429 8.3788 8.3788 9.4341 9.4341 9.5319 9.5319 9.8527 9.8527 11.5383 11.5385 k = 0.5000 0.5000 0.2879 ( 4188 PWs) bands (ev): -32.2760 -32.2760 -32.2759 -32.2759 -32.2759 -32.2759 -13.6707 -13.6707 -13.6259 -13.6259 -13.6123 -13.6123 -13.3367 -13.3367 -13.2395 -13.2395 -13.1669 -13.1669 -13.1592 -13.1592 -13.0690 -13.0690 -13.0682 -13.0682 -8.3611 -8.3611 -8.3610 -8.3610 -5.8224 -5.8224 -5.8047 -5.8047 -5.8019 -5.8019 1.1933 1.1933 6.5223 6.5223 7.1159 7.1159 7.8209 7.8209 8.4006 8.4006 9.3556 9.3556 9.4540 9.4540 9.8266 9.8266 11.5565 11.5566 k = 0.5000 0.5000 0.3030 ( 4184 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6744 -13.6744 -13.6265 -13.6265 -13.6146 -13.6146 -13.3397 -13.3397 -13.2379 -13.2379 -13.1647 -13.1647 -13.1577 -13.1577 -13.0667 -13.0667 -13.0660 -13.0660 -8.3613 -8.3613 -8.3612 -8.3612 -5.8228 -5.8228 -5.8046 -5.8046 -5.8021 -5.8021 1.1939 1.1939 6.5611 6.5611 7.1698 7.1698 7.8013 7.8013 8.4222 8.4222 9.2776 9.2776 9.3757 9.3757 9.8015 9.8015 11.5738 11.5743 k = 0.5000 0.5000 0.3182 ( 4196 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6780 -13.6780 -13.6271 -13.6271 -13.6168 -13.6168 -13.3425 -13.3425 -13.2365 -13.2365 -13.1626 -13.1626 -13.1564 -13.1564 -13.0644 -13.0644 -13.0638 -13.0638 -8.3615 -8.3615 -8.3613 -8.3613 -5.8233 -5.8233 -5.8045 -5.8045 -5.8024 -5.8024 1.1944 1.1944 6.5997 6.5997 7.2254 7.2254 7.7842 7.7842 8.4435 8.4435 9.2004 9.2004 9.2974 9.2974 9.7777 9.7777 11.5897 11.5904 k = 0.5000 0.5000 0.3333 ( 4204 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6813 -13.6813 -13.6276 -13.6276 -13.6189 -13.6189 -13.3451 -13.3451 -13.2352 -13.2352 -13.1607 -13.1607 -13.1552 -13.1552 -13.0623 -13.0623 -13.0617 -13.0617 -8.3616 -8.3616 -8.3615 -8.3615 -5.8237 -5.8237 -5.8044 -5.8044 -5.8026 -5.8026 1.1949 1.1949 6.6375 6.6375 7.2823 7.2823 7.7702 7.7702 8.4642 8.4642 9.1245 9.1245 9.2194 9.2194 9.7553 9.7553 11.6053 11.6067 k = 0.5000 0.5000 0.3485 ( 4196 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6844 -13.6844 -13.6281 -13.6281 -13.6209 -13.6209 -13.3474 -13.3474 -13.2340 -13.2340 -13.1589 -13.1589 -13.1541 -13.1541 -13.0602 -13.0602 -13.0597 -13.0597 -8.3618 -8.3618 -8.3617 -8.3617 -5.8241 -5.8241 -5.8043 -5.8043 -5.8028 -5.8028 1.1955 1.1955 6.6740 6.6740 7.3403 7.3403 7.7594 7.7594 8.4841 8.4841 9.0503 9.0503 9.1420 9.1420 9.7343 9.7343 11.6196 11.6205 k = 0.5000 0.5000 0.3636 ( 4192 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6873 -13.6873 -13.6286 -13.6286 -13.6227 -13.6227 -13.3495 -13.3495 -13.2328 -13.2328 -13.1571 -13.1571 -13.1531 -13.1531 -13.0582 -13.0582 -13.0578 -13.0578 -8.3619 -8.3619 -8.3618 -8.3618 -5.8245 -5.8245 -5.8042 -5.8042 -5.8030 -5.8030 1.1959 1.1959 6.7087 6.7087 7.3990 7.3990 7.7520 7.7520 8.5030 8.5030 8.9785 8.9785 9.0657 9.0657 9.7150 9.7150 11.6332 11.6348 k = 0.5000 0.5000 0.3788 ( 4200 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6900 -13.6900 -13.6291 -13.6291 -13.6244 -13.6244 -13.3515 -13.3515 -13.2319 -13.2319 -13.1556 -13.1556 -13.1523 -13.1523 -13.0565 -13.0565 -13.0561 -13.0561 -8.3621 -8.3621 -8.3620 -8.3620 -5.8248 -5.8248 -5.8042 -5.8042 -5.8032 -5.8032 1.1964 1.1964 6.7412 6.7412 7.4578 7.4578 7.7482 7.7482 8.5206 8.5206 8.9095 8.9095 8.9911 8.9911 9.6973 9.6973 11.6449 11.6480 k = 0.5000 0.5000 0.3939 ( 4200 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6924 -13.6924 -13.6295 -13.6295 -13.6259 -13.6259 -13.3532 -13.3532 -13.2310 -13.2310 -13.1542 -13.1542 -13.1516 -13.1516 -13.0548 -13.0548 -13.0546 -13.0546 -8.3622 -8.3622 -8.3621 -8.3621 -5.8252 -5.8252 -5.8041 -5.8041 -5.8033 -5.8033 1.1968 1.1968 6.7708 6.7708 7.5160 7.5160 7.7479 7.7479 8.5368 8.5368 8.8442 8.8442 8.9189 8.9189 9.6815 9.6815 11.6563 11.6590 k = 0.5000 0.5000 0.4091 ( 4224 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6945 -13.6945 -13.6300 -13.6300 -13.6273 -13.6273 -13.3547 -13.3547 -13.2303 -13.2303 -13.1530 -13.1530 -13.1511 -13.1511 -13.0535 -13.0535 -13.0533 -13.0533 -8.3623 -8.3623 -8.3622 -8.3622 -5.8255 -5.8255 -5.8040 -5.8040 -5.8035 -5.8035 1.1971 1.1971 6.7971 6.7971 7.5729 7.5729 7.7508 7.7508 8.5513 8.5513 8.7834 8.7834 8.8499 8.8499 9.6675 9.6675 11.6659 11.6682 k = 0.5000 0.5000 0.4242 ( 4232 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6963 -13.6963 -13.6303 -13.6303 -13.6285 -13.6285 -13.3560 -13.3560 -13.2297 -13.2297 -13.1520 -13.1520 -13.1506 -13.1506 -13.0522 -13.0522 -13.0521 -13.0521 -8.3624 -8.3624 -8.3624 -8.3624 -5.8257 -5.8257 -5.8040 -5.8040 -5.8036 -5.8036 1.1974 1.1974 6.8199 6.8199 7.6270 7.6270 7.7562 7.7562 8.5638 8.5638 8.7283 8.7283 8.7855 8.7855 9.6556 9.6556 11.6757 11.6796 k = 0.5000 0.5000 0.4394 ( 4240 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6978 -13.6978 -13.6306 -13.6306 -13.6294 -13.6294 -13.3570 -13.3570 -13.2292 -13.2292 -13.1511 -13.1511 -13.1502 -13.1502 -13.0512 -13.0512 -13.0511 -13.0511 -8.3625 -8.3625 -8.3624 -8.3624 -5.8259 -5.8259 -5.8039 -5.8039 -5.8037 -5.8037 1.1977 1.1977 6.8387 6.8387 7.6769 7.6769 7.7634 7.7634 8.5741 8.5741 8.6802 8.6802 8.7274 8.7274 9.6457 9.6457 11.6811 11.6837 k = 0.5000 0.5000 0.4545 ( 4232 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6989 -13.6989 -13.6308 -13.6308 -13.6301 -13.6301 -13.3578 -13.3578 -13.2288 -13.2288 -13.1504 -13.1504 -13.1499 -13.1499 -13.0504 -13.0504 -13.0503 -13.0503 -8.3625 -8.3625 -8.3625 -8.3625 -5.8261 -5.8261 -5.8039 -5.8039 -5.8038 -5.8038 1.1979 1.1979 6.8534 6.8534 7.7203 7.7203 7.7711 7.7711 8.5820 8.5820 8.6404 8.6404 8.6780 8.6780 9.6379 9.6379 11.6862 11.6899 k = 0.5000 0.5000 0.4697 ( 4224 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.6997 -13.6997 -13.6309 -13.6309 -13.6306 -13.6306 -13.3583 -13.3583 -13.2285 -13.2285 -13.1499 -13.1499 -13.1497 -13.1497 -13.0498 -13.0498 -13.0497 -13.0497 -8.3626 -8.3626 -8.3626 -8.3626 -5.8262 -5.8262 -5.8039 -5.8039 -5.8038 -5.8038 1.1981 1.1981 6.8640 6.8640 7.7546 7.7546 7.7780 7.7780 8.5866 8.5866 8.6105 8.6105 8.6405 8.6405 9.6323 9.6323 11.6927 11.6969 k = 0.5000 0.5000 0.4848 ( 4224 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.7002 -13.7002 -13.6310 -13.6310 -13.6310 -13.6310 -13.3587 -13.3587 -13.2283 -13.2283 -13.1496 -13.1496 -13.1495 -13.1495 -13.0494 -13.0494 -13.0494 -13.0494 -8.3626 -8.3626 -8.3626 -8.3626 -5.8263 -5.8263 -5.8039 -5.8039 -5.8038 -5.8038 1.1982 1.1982 6.8703 6.8703 7.7768 7.7768 7.7828 7.7828 8.5870 8.5870 8.5919 8.5919 8.6188 8.6188 9.6289 9.6289 11.6922 11.6961 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -32.2759 -13.7004 -13.7004 -13.6311 -13.6311 -13.6311 -13.6311 -13.3588 -13.3588 -13.2283 -13.2283 -13.1495 -13.1495 -13.1495 -13.1495 -13.0493 -13.0493 -13.0493 -13.0493 -8.3626 -8.3626 -8.3626 -8.3626 -5.8263 -5.8263 -5.8038 -5.8038 -5.8038 -5.8038 1.1982 1.1982 6.8724 6.8724 7.7846 7.7846 7.7846 7.7846 8.5855 8.5855 8.5855 8.5855 8.6128 8.6128 9.6278 9.6278 11.6938 11.6984 Writing output data file Ca3Pb.save init_run : 0.23s CPU 0.48s WALL ( 1 calls) electrons : 324.32s CPU 329.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 324.31s CPU 329.61s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 254 calls) cegterg : 309.86s CPU 313.76s WALL ( 1115 calls) Called by sum_band: Called by *egterg: h_psi : 145.08s CPU 147.08s WALL ( 21894 calls) s_psi : 8.32s CPU 8.54s WALL ( 21894 calls) g_psi : 0.41s CPU 0.37s WALL ( 20525 calls) cdiaghg : 135.85s CPU 137.94s WALL ( 20779 calls) cegterg:over : 9.18s CPU 9.09s WALL ( 20525 calls) cegterg:upda : 10.32s CPU 10.35s WALL ( 20525 calls) cegterg:last : 4.00s CPU 4.04s WALL ( 2038 calls) cdiaghg:chol : 6.92s CPU 7.49s WALL ( 20779 calls) cdiaghg:inve : 4.96s CPU 5.06s WALL ( 20779 calls) cdiaghg:para : 7.86s CPU 7.87s WALL ( 41558 calls) Called by h_psi: h_psi:vloc : 126.14s CPU 128.22s WALL ( 21894 calls) h_psi:vnl : 18.54s CPU 18.50s WALL ( 21894 calls) add_vuspsi : 9.91s CPU 9.69s WALL ( 21894 calls) General routines calbec : 8.56s CPU 8.75s WALL ( 21894 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 118.99s CPU 120.97s WALL ( 1214624 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.25s WALL ( 508 calls) Parallel routines fft_scatter : 38.53s CPU 39.60s WALL ( 1214647 calls) PWSCF : 5m37.04s CPU 5m56.22s WALL This run was terminated on: 16:39:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=