Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:33:36 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: ./Ca3Hg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 79 35 10 3201 929 150 Max 80 36 11 3206 952 153 Sum 2869 1265 373 115313 33833 5449 bravais-lattice index = 14 lattice parameter (alat) = 9.2975 a.u. unit-cell volume = 803.6960 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.297452 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 Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Hg 12.00 200.59000 Hg( 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= 250 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0040000 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0040000 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0040000 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0040000 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0040000 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0040000 k( 8) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0040000 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0040000 k( 10) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0040000 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0040000 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0040000 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0040000 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0040000 k( 15) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0040000 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0040000 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0040000 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0040000 k( 19) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0040000 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0040000 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0040000 k( 22) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0040000 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0040000 k( 24) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0040000 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0040000 k( 26) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0040000 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0040000 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0040000 k( 29) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0040000 k( 30) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0040000 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0040000 k( 32) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0040000 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040000 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040000 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0040000 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0040000 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0040000 k( 38) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0040000 k( 39) = ( 0.0781250 0.5000000 -0.0000000), wk = 0.0040000 k( 40) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0040000 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0040000 k( 42) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0040000 k( 43) = ( 0.1406250 0.5000000 -0.0000000), wk = 0.0040000 k( 44) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0040000 k( 45) = ( 0.1718750 0.5000000 -0.0000000), wk = 0.0040000 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0040000 k( 47) = ( 0.2031250 0.5000000 -0.0000000), wk = 0.0040000 k( 48) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0040000 k( 49) = ( 0.2343750 0.5000000 -0.0000000), wk = 0.0040000 k( 50) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0040000 k( 51) = ( 0.2656250 0.5000000 -0.0000000), wk = 0.0040000 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0040000 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0040000 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0040000 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0040000 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0040000 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0040000 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0040000 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0040000 k( 60) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0040000 k( 61) = ( 0.4218750 0.5000000 -0.0000000), wk = 0.0040000 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0040000 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0040000 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0040000 k( 65) = ( 0.4843750 0.5000000 -0.0000000), wk = 0.0040000 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040000 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040000 k( 68) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0040000 k( 69) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0040000 k( 70) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0040000 k( 71) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0040000 k( 72) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0040000 k( 73) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0040000 k( 74) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0040000 k( 75) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0040000 k( 76) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0040000 k( 77) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0040000 k( 78) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0040000 k( 79) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0040000 k( 80) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0040000 k( 81) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0040000 k( 82) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0040000 k( 83) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0040000 k( 84) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0040000 k( 85) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0040000 k( 86) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0040000 k( 87) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0040000 k( 88) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0040000 k( 89) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0040000 k( 90) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0040000 k( 91) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0040000 k( 92) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0040000 k( 93) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0040000 k( 94) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0040000 k( 95) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0040000 k( 96) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0040000 k( 97) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0040000 k( 98) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0040000 k( 99) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0040000 k( 100) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0040000 k( 101) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0040000 k( 102) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0040000 k( 103) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0040000 k( 104) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0040000 k( 105) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0040000 k( 106) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0040000 k( 107) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0040000 k( 108) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0040000 k( 109) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0040000 k( 110) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0040000 k( 111) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0040000 k( 112) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0040000 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 115) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0040000 k( 116) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0040000 k( 117) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0040000 k( 118) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0040000 k( 119) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0040000 k( 120) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0040000 k( 121) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0040000 k( 122) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0040000 k( 123) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0040000 k( 124) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0040000 k( 125) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0040000 k( 126) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0040000 k( 127) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0040000 k( 128) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0040000 k( 129) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0040000 k( 130) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0040000 k( 131) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0040000 k( 132) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0040000 k( 133) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0040000 k( 134) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0040000 k( 135) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0040000 k( 136) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0040000 k( 137) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0040000 k( 138) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0040000 k( 139) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0040000 k( 140) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0040000 k( 141) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0040000 k( 142) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040000 k( 143) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0040000 k( 144) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0040000 k( 145) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0040000 k( 146) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0040000 k( 147) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0040000 k( 148) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0040000 k( 149) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0040000 k( 150) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0040000 k( 151) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0040000 k( 152) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0040000 k( 153) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0040000 k( 154) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0040000 k( 155) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0040000 k( 156) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0040000 k( 157) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0040000 k( 158) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0040000 k( 159) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0040000 k( 160) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0040000 k( 161) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0040000 k( 162) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0040000 k( 163) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0040000 k( 164) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0040000 k( 165) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0040000 k( 166) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0040000 k( 167) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0040000 k( 168) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0040000 k( 169) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0040000 k( 170) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040000 k( 171) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040000 k( 172) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0040000 k( 173) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0040000 k( 174) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0040000 k( 175) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0040000 k( 176) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0040000 k( 177) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0040000 k( 178) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0040000 k( 179) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0040000 k( 180) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0040000 k( 181) = ( 0.3913044 0.5000000 0.3913043), wk = 0.0040000 k( 182) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0040000 k( 183) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0040000 k( 184) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0040000 k( 185) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0040000 k( 186) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0040000 k( 187) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0040000 k( 188) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0040000 k( 189) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0040000 k( 190) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0040000 k( 191) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0040000 k( 192) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0040000 k( 193) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0040000 k( 194) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0040000 k( 195) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0040000 k( 196) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0040000 k( 197) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0040000 k( 198) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0040000 k( 199) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0040000 k( 200) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0040000 k( 201) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0040000 k( 202) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0040000 k( 203) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0040000 k( 204) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0040000 k( 205) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0040000 k( 206) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0040000 k( 207) = ( 0.1086957 0.5000000 0.1086956), wk = 0.0040000 k( 208) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0040000 k( 209) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0040000 k( 210) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0040000 k( 211) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0040000 k( 212) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0040000 k( 213) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0040000 k( 214) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0040000 k( 215) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0040000 k( 216) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0040000 k( 217) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040000 k( 218) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040000 k( 219) = ( 0.5000000 0.5000000 0.0156250), wk = 0.0040000 k( 220) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0040000 k( 221) = ( 0.5000000 0.5000000 0.0468750), wk = 0.0040000 k( 222) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0040000 k( 223) = ( 0.5000000 0.5000000 0.0781250), wk = 0.0040000 k( 224) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0040000 k( 225) = ( 0.5000000 0.5000000 0.1093750), wk = 0.0040000 k( 226) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0040000 k( 227) = ( 0.5000000 0.5000000 0.1406250), wk = 0.0040000 k( 228) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0040000 k( 229) = ( 0.5000000 0.5000000 0.1718750), wk = 0.0040000 k( 230) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0040000 k( 231) = ( 0.5000000 0.5000000 0.2031250), wk = 0.0040000 k( 232) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0040000 k( 233) = ( 0.5000000 0.5000000 0.2343750), wk = 0.0040000 k( 234) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0040000 k( 235) = ( 0.5000000 0.5000000 0.2656250), wk = 0.0040000 k( 236) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0040000 k( 237) = ( 0.5000000 0.5000000 0.2968750), wk = 0.0040000 k( 238) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0040000 k( 239) = ( 0.5000000 0.5000000 0.3281250), wk = 0.0040000 k( 240) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0040000 k( 241) = ( 0.5000000 0.5000000 0.3593750), wk = 0.0040000 k( 242) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0040000 k( 243) = ( 0.5000000 0.5000000 0.3906250), wk = 0.0040000 k( 244) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0040000 k( 245) = ( 0.5000000 0.5000000 0.4218750), wk = 0.0040000 k( 246) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0040000 k( 247) = ( 0.5000000 0.5000000 0.4531250), wk = 0.0040000 k( 248) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0040000 k( 249) = ( 0.5000000 0.5000000 0.4843750), wk = 0.0040000 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 2) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0040000 k( 3) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0040000 k( 4) = ( 0.0000000 0.0468750 0.0000000), wk = 0.0040000 k( 5) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0040000 k( 6) = ( 0.0000000 0.0781250 0.0000000), wk = 0.0040000 k( 7) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0040000 k( 8) = ( 0.0000000 0.1093750 0.0000000), wk = 0.0040000 k( 9) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0040000 k( 10) = ( 0.0000000 0.1406250 0.0000000), wk = 0.0040000 k( 11) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0040000 k( 12) = ( 0.0000000 0.1718750 0.0000000), wk = 0.0040000 k( 13) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0040000 k( 14) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0040000 k( 15) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0040000 k( 16) = ( 0.0000000 0.2343750 0.0000000), wk = 0.0040000 k( 17) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0040000 k( 18) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0040000 k( 19) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0040000 k( 20) = ( 0.0000000 0.2968750 0.0000000), wk = 0.0040000 k( 21) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0040000 k( 22) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0040000 k( 23) = ( 0.0000000 0.3437500 0.0000000), wk = 0.0040000 k( 24) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0040000 k( 25) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0040000 k( 26) = ( 0.0000000 0.3906250 0.0000000), wk = 0.0040000 k( 27) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0040000 k( 28) = ( 0.0000000 0.4218750 0.0000000), wk = 0.0040000 k( 29) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0040000 k( 30) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0040000 k( 31) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0040000 k( 32) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0040000 k( 33) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040000 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040000 k( 35) = ( 0.0156250 0.5000000 0.0000000), wk = 0.0040000 k( 36) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0040000 k( 37) = ( 0.0468750 0.5000000 0.0000000), wk = 0.0040000 k( 38) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0040000 k( 39) = ( 0.0781250 0.5000000 0.0000000), wk = 0.0040000 k( 40) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0040000 k( 41) = ( 0.1093750 0.5000000 0.0000000), wk = 0.0040000 k( 42) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0040000 k( 43) = ( 0.1406250 0.5000000 0.0000000), wk = 0.0040000 k( 44) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0040000 k( 45) = ( 0.1718750 0.5000000 0.0000000), wk = 0.0040000 k( 46) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0040000 k( 47) = ( 0.2031250 0.5000000 0.0000000), wk = 0.0040000 k( 48) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0040000 k( 49) = ( 0.2343750 0.5000000 0.0000000), wk = 0.0040000 k( 50) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0040000 k( 51) = ( 0.2656250 0.5000000 0.0000000), wk = 0.0040000 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0040000 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0040000 k( 54) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0040000 k( 55) = ( 0.3281250 0.5000000 0.0000000), wk = 0.0040000 k( 56) = ( 0.3437500 0.5000000 0.0000000), wk = 0.0040000 k( 57) = ( 0.3593750 0.5000000 0.0000000), wk = 0.0040000 k( 58) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0040000 k( 59) = ( 0.3906250 0.5000000 0.0000000), wk = 0.0040000 k( 60) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0040000 k( 61) = ( 0.4218750 0.5000000 0.0000000), wk = 0.0040000 k( 62) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0040000 k( 63) = ( 0.4531250 0.5000000 0.0000000), wk = 0.0040000 k( 64) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0040000 k( 65) = ( 0.4843750 0.5000000 0.0000000), wk = 0.0040000 k( 66) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040000 k( 67) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040000 k( 68) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0040000 k( 69) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0040000 k( 70) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0040000 k( 71) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0040000 k( 72) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0040000 k( 73) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0040000 k( 74) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0040000 k( 75) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0040000 k( 76) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0040000 k( 77) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0040000 k( 78) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0040000 k( 79) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0040000 k( 80) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0040000 k( 81) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0040000 k( 82) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0040000 k( 83) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0040000 k( 84) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0040000 k( 85) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0040000 k( 86) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0040000 k( 87) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0040000 k( 88) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0040000 k( 89) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0040000 k( 90) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0040000 k( 91) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0040000 k( 92) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0040000 k( 93) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0040000 k( 94) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0040000 k( 95) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0040000 k( 96) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0040000 k( 97) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0040000 k( 98) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0040000 k( 99) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0040000 k( 100) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0040000 k( 101) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0040000 k( 102) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0040000 k( 103) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0040000 k( 104) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0040000 k( 105) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0040000 k( 106) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0040000 k( 107) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0040000 k( 108) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0040000 k( 109) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0040000 k( 110) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0040000 k( 111) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0040000 k( 112) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0040000 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040000 k( 115) = ( 0.0089286 0.0089286 0.0089286), wk = 0.0040000 k( 116) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0040000 k( 117) = ( 0.0267857 0.0267857 0.0267857), wk = 0.0040000 k( 118) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0040000 k( 119) = ( 0.0446429 0.0446429 0.0446429), wk = 0.0040000 k( 120) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0040000 k( 121) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0040000 k( 122) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0040000 k( 123) = ( 0.0803571 0.0803571 0.0803571), wk = 0.0040000 k( 124) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0040000 k( 125) = ( 0.0982143 0.0982143 0.0982143), wk = 0.0040000 k( 126) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0040000 k( 127) = ( 0.1160714 0.1160714 0.1160714), wk = 0.0040000 k( 128) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0040000 k( 129) = ( 0.1339286 0.1339286 0.1339286), wk = 0.0040000 k( 130) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0040000 k( 131) = ( 0.1517857 0.1517857 0.1517857), wk = 0.0040000 k( 132) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0040000 k( 133) = ( 0.1696429 0.1696429 0.1696429), wk = 0.0040000 k( 134) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0040000 k( 135) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0040000 k( 136) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0040000 k( 137) = ( 0.2053571 0.2053571 0.2053571), wk = 0.0040000 k( 138) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0040000 k( 139) = ( 0.2232143 0.2232143 0.2232143), wk = 0.0040000 k( 140) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0040000 k( 141) = ( 0.2410714 0.2410714 0.2410714), wk = 0.0040000 k( 142) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040000 k( 143) = ( 0.2589286 0.2589286 0.2589286), wk = 0.0040000 k( 144) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0040000 k( 145) = ( 0.2767857 0.2767857 0.2767857), wk = 0.0040000 k( 146) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0040000 k( 147) = ( 0.2946429 0.2946429 0.2946429), wk = 0.0040000 k( 148) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0040000 k( 149) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0040000 k( 150) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0040000 k( 151) = ( 0.3303571 0.3303571 0.3303571), wk = 0.0040000 k( 152) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0040000 k( 153) = ( 0.3482143 0.3482143 0.3482143), wk = 0.0040000 k( 154) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0040000 k( 155) = ( 0.3660714 0.3660714 0.3660714), wk = 0.0040000 k( 156) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0040000 k( 157) = ( 0.3839286 0.3839286 0.3839286), wk = 0.0040000 k( 158) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0040000 k( 159) = ( 0.4017857 0.4017857 0.4017857), wk = 0.0040000 k( 160) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0040000 k( 161) = ( 0.4196429 0.4196429 0.4196429), wk = 0.0040000 k( 162) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0040000 k( 163) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0040000 k( 164) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0040000 k( 165) = ( 0.4553571 0.4553571 0.4553571), wk = 0.0040000 k( 166) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0040000 k( 167) = ( 0.4732143 0.4732143 0.4732143), wk = 0.0040000 k( 168) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0040000 k( 169) = ( 0.4910714 0.4910714 0.4910714), wk = 0.0040000 k( 170) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040000 k( 171) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040000 k( 172) = ( 0.4891304 0.5000000 0.4891304), wk = 0.0040000 k( 173) = ( 0.4782609 0.5000000 0.4782609), wk = 0.0040000 k( 174) = ( 0.4673913 0.5000000 0.4673913), wk = 0.0040000 k( 175) = ( 0.4565217 0.5000000 0.4565217), wk = 0.0040000 k( 176) = ( 0.4456522 0.5000000 0.4456522), wk = 0.0040000 k( 177) = ( 0.4347826 0.5000000 0.4347826), wk = 0.0040000 k( 178) = ( 0.4239130 0.5000000 0.4239130), wk = 0.0040000 k( 179) = ( 0.4130435 0.5000000 0.4130435), wk = 0.0040000 k( 180) = ( 0.4021739 0.5000000 0.4021739), wk = 0.0040000 k( 181) = ( 0.3913044 0.5000000 0.3913044), wk = 0.0040000 k( 182) = ( 0.3804348 0.5000000 0.3804348), wk = 0.0040000 k( 183) = ( 0.3695652 0.5000000 0.3695652), wk = 0.0040000 k( 184) = ( 0.3586956 0.5000000 0.3586956), wk = 0.0040000 k( 185) = ( 0.3478261 0.5000000 0.3478261), wk = 0.0040000 k( 186) = ( 0.3369565 0.5000000 0.3369565), wk = 0.0040000 k( 187) = ( 0.3260870 0.5000000 0.3260870), wk = 0.0040000 k( 188) = ( 0.3152174 0.5000000 0.3152174), wk = 0.0040000 k( 189) = ( 0.3043478 0.5000000 0.3043478), wk = 0.0040000 k( 190) = ( 0.2934783 0.5000000 0.2934783), wk = 0.0040000 k( 191) = ( 0.2826087 0.5000000 0.2826087), wk = 0.0040000 k( 192) = ( 0.2717391 0.5000000 0.2717391), wk = 0.0040000 k( 193) = ( 0.2608696 0.5000000 0.2608696), wk = 0.0040000 k( 194) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0040000 k( 195) = ( 0.2391304 0.5000000 0.2391304), wk = 0.0040000 k( 196) = ( 0.2282609 0.5000000 0.2282609), wk = 0.0040000 k( 197) = ( 0.2173913 0.5000000 0.2173913), wk = 0.0040000 k( 198) = ( 0.2065217 0.5000000 0.2065217), wk = 0.0040000 k( 199) = ( 0.1956522 0.5000000 0.1956522), wk = 0.0040000 k( 200) = ( 0.1847826 0.5000000 0.1847826), wk = 0.0040000 k( 201) = ( 0.1739130 0.5000000 0.1739130), wk = 0.0040000 k( 202) = ( 0.1630435 0.5000000 0.1630435), wk = 0.0040000 k( 203) = ( 0.1521739 0.5000000 0.1521739), wk = 0.0040000 k( 204) = ( 0.1413043 0.5000000 0.1413043), wk = 0.0040000 k( 205) = ( 0.1304348 0.5000000 0.1304348), wk = 0.0040000 k( 206) = ( 0.1195652 0.5000000 0.1195652), wk = 0.0040000 k( 207) = ( 0.1086957 0.5000000 0.1086957), wk = 0.0040000 k( 208) = ( 0.0978261 0.5000000 0.0978261), wk = 0.0040000 k( 209) = ( 0.0869565 0.5000000 0.0869565), wk = 0.0040000 k( 210) = ( 0.0760870 0.5000000 0.0760870), wk = 0.0040000 k( 211) = ( 0.0652174 0.5000000 0.0652174), wk = 0.0040000 k( 212) = ( 0.0543478 0.5000000 0.0543478), wk = 0.0040000 k( 213) = ( 0.0434783 0.5000000 0.0434783), wk = 0.0040000 k( 214) = ( 0.0326087 0.5000000 0.0326087), wk = 0.0040000 k( 215) = ( 0.0217391 0.5000000 0.0217391), wk = 0.0040000 k( 216) = ( 0.0108696 0.5000000 0.0108696), wk = 0.0040000 k( 217) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040000 k( 218) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040000 k( 219) = ( 0.5000000 0.5000000 0.0156250), wk = 0.0040000 k( 220) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0040000 k( 221) = ( 0.5000000 0.5000000 0.0468750), wk = 0.0040000 k( 222) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0040000 k( 223) = ( 0.5000000 0.5000000 0.0781250), wk = 0.0040000 k( 224) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0040000 k( 225) = ( 0.5000000 0.5000000 0.1093750), wk = 0.0040000 k( 226) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0040000 k( 227) = ( 0.5000000 0.5000000 0.1406250), wk = 0.0040000 k( 228) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0040000 k( 229) = ( 0.5000000 0.5000000 0.1718750), wk = 0.0040000 k( 230) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0040000 k( 231) = ( 0.5000000 0.5000000 0.2031250), wk = 0.0040000 k( 232) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0040000 k( 233) = ( 0.5000000 0.5000000 0.2343750), wk = 0.0040000 k( 234) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0040000 k( 235) = ( 0.5000000 0.5000000 0.2656250), wk = 0.0040000 k( 236) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0040000 k( 237) = ( 0.5000000 0.5000000 0.2968750), wk = 0.0040000 k( 238) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0040000 k( 239) = ( 0.5000000 0.5000000 0.3281250), wk = 0.0040000 k( 240) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0040000 k( 241) = ( 0.5000000 0.5000000 0.3593750), wk = 0.0040000 k( 242) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0040000 k( 243) = ( 0.5000000 0.5000000 0.3906250), wk = 0.0040000 k( 244) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0040000 k( 245) = ( 0.5000000 0.5000000 0.4218750), wk = 0.0040000 k( 246) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0040000 k( 247) = ( 0.5000000 0.5000000 0.4531250), wk = 0.0040000 k( 248) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0040000 k( 249) = ( 0.5000000 0.5000000 0.4843750), wk = 0.0040000 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040000 Dense grid: 115313 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 33833 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 260, 50) NL pseudopotentials 0.27 Mb ( 130, 136) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 3206) G-vector shells 0.00 Mb ( 610) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 260, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) The potential is recalculated from file : ./Ca3Hg.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 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 8.2 secs Computing kpt #: 6 total cpu time spent up to now is 9.2 secs Computing kpt #: 7 total cpu time spent up to now is 10.3 secs Computing kpt #: 8 total cpu time spent up to now is 11.4 secs Computing kpt #: 9 total cpu time spent up to now is 12.6 secs Computing kpt #: 10 total cpu time spent up to now is 13.5 secs Computing kpt #: 11 total cpu time spent up to now is 14.7 secs Computing kpt #: 12 total cpu time spent up to now is 15.8 secs Computing kpt #: 13 total cpu time spent up to now is 17.0 secs Computing kpt #: 14 total cpu time spent up to now is 18.0 secs Computing kpt #: 15 total cpu time spent up to now is 19.2 secs Computing kpt #: 16 total cpu time spent up to now is 20.5 secs Computing kpt #: 17 total cpu time spent up to now is 21.5 secs Computing kpt #: 18 total cpu time spent up to now is 23.1 secs Computing kpt #: 19 total cpu time spent up to now is 24.4 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.0 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 27.7 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.3 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.9 secs Computing kpt #: 24 total cpu time spent up to now is 32.3 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 34.0 secs Computing kpt #: 26 total cpu time spent up to now is 35.4 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 37.0 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 38.8 secs Computing kpt #: 29 total cpu time spent up to now is 40.0 secs Computing kpt #: 30 total cpu time spent up to now is 41.3 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.0 secs Computing kpt #: 32 total cpu time spent up to now is 44.1 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.8 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.5 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.2 secs Computing kpt #: 36 total cpu time spent up to now is 50.6 secs Computing kpt #: 37 total cpu time spent up to now is 51.8 secs Computing kpt #: 38 total cpu time spent up to now is 52.9 secs Computing kpt #: 39 total cpu time spent up to now is 53.9 secs Computing kpt #: 40 total cpu time spent up to now is 54.9 secs Computing kpt #: 41 total cpu time spent up to now is 55.9 secs Computing kpt #: 42 total cpu time spent up to now is 56.8 secs Computing kpt #: 43 total cpu time spent up to now is 57.7 secs Computing kpt #: 44 total cpu time spent up to now is 58.6 secs Computing kpt #: 45 total cpu time spent up to now is 59.5 secs Computing kpt #: 46 total cpu time spent up to now is 60.4 secs Computing kpt #: 47 total cpu time spent up to now is 61.3 secs Computing kpt #: 48 total cpu time spent up to now is 62.2 secs Computing kpt #: 49 total cpu time spent up to now is 63.0 secs Computing kpt #: 50 total cpu time spent up to now is 63.9 secs Computing kpt #: 51 total cpu time spent up to now is 64.8 secs Computing kpt #: 52 total cpu time spent up to now is 65.6 secs Computing kpt #: 53 total cpu time spent up to now is 66.5 secs Computing kpt #: 54 total cpu time spent up to now is 67.3 secs Computing kpt #: 55 total cpu time spent up to now is 68.2 secs Computing kpt #: 56 total cpu time spent up to now is 69.0 secs Computing kpt #: 57 total cpu time spent up to now is 69.9 secs Computing kpt #: 58 total cpu time spent up to now is 70.7 secs Computing kpt #: 59 total cpu time spent up to now is 71.6 secs Computing kpt #: 60 total cpu time spent up to now is 72.5 secs Computing kpt #: 61 total cpu time spent up to now is 73.3 secs Computing kpt #: 62 total cpu time spent up to now is 74.5 secs Computing kpt #: 63 total cpu time spent up to now is 75.3 secs Computing kpt #: 64 total cpu time spent up to now is 76.2 secs Computing kpt #: 65 total cpu time spent up to now is 77.1 secs Computing kpt #: 66 total cpu time spent up to now is 78.0 secs Computing kpt #: 67 total cpu time spent up to now is 78.9 secs Computing kpt #: 68 total cpu time spent up to now is 79.8 secs Computing kpt #: 69 total cpu time spent up to now is 80.6 secs Computing kpt #: 70 total cpu time spent up to now is 81.6 secs Computing kpt #: 71 total cpu time spent up to now is 82.5 secs Computing kpt #: 72 total cpu time spent up to now is 83.3 secs Computing kpt #: 73 total cpu time spent up to now is 84.3 secs Computing kpt #: 74 total cpu time spent up to now is 85.2 secs Computing kpt #: 75 total cpu time spent up to now is 86.0 secs Computing kpt #: 76 total cpu time spent up to now is 87.0 secs Computing kpt #: 77 total cpu time spent up to now is 88.0 secs Computing kpt #: 78 total cpu time spent up to now is 89.0 secs Computing kpt #: 79 total cpu time spent up to now is 90.1 secs Computing kpt #: 80 total cpu time spent up to now is 91.1 secs Computing kpt #: 81 total cpu time spent up to now is 92.5 secs Computing kpt #: 82 total cpu time spent up to now is 93.6 secs Computing kpt #: 83 total cpu time spent up to now is 95.1 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.8 secs Computing kpt #: 85 total cpu time spent up to now is 98.2 secs Computing kpt #: 86 total cpu time spent up to now is 99.2 secs Computing kpt #: 87 total cpu time spent up to now is 100.2 secs Computing kpt #: 88 total cpu time spent up to now is 101.2 secs Computing kpt #: 89 total cpu time spent up to now is 102.2 secs Computing kpt #: 90 total cpu time spent up to now is 103.2 secs Computing kpt #: 91 total cpu time spent up to now is 104.2 secs Computing kpt #: 92 total cpu time spent up to now is 105.2 secs Computing kpt #: 93 total cpu time spent up to now is 106.1 secs Computing kpt #: 94 total cpu time spent up to now is 106.9 secs Computing kpt #: 95 total cpu time spent up to now is 107.9 secs Computing kpt #: 96 total cpu time spent up to now is 108.9 secs Computing kpt #: 97 total cpu time spent up to now is 109.8 secs Computing kpt #: 98 total cpu time spent up to now is 110.8 secs Computing kpt #: 99 total cpu time spent up to now is 111.9 secs Computing kpt #: 100 total cpu time spent up to now is 112.8 secs Computing kpt #: 101 total cpu time spent up to now is 114.0 secs Computing kpt #: 102 total cpu time spent up to now is 115.1 secs Computing kpt #: 103 total cpu time spent up to now is 116.3 secs Computing kpt #: 104 total cpu time spent up to now is 117.4 secs Computing kpt #: 105 total cpu time spent up to now is 118.6 secs Computing kpt #: 106 total cpu time spent up to now is 119.6 secs Computing kpt #: 107 total cpu time spent up to now is 121.0 secs Computing kpt #: 108 total cpu time spent up to now is 122.1 secs Computing kpt #: 109 total cpu time spent up to now is 123.1 secs Computing kpt #: 110 total cpu time spent up to now is 124.2 secs Computing kpt #: 111 total cpu time spent up to now is 125.4 secs Computing kpt #: 112 total cpu time spent up to now is 126.5 secs Computing kpt #: 113 total cpu time spent up to now is 127.3 secs Computing kpt #: 114 total cpu time spent up to now is 128.2 secs Computing kpt #: 115 total cpu time spent up to now is 129.3 secs Computing kpt #: 116 total cpu time spent up to now is 130.4 secs Computing kpt #: 117 total cpu time spent up to now is 131.5 secs Computing kpt #: 118 total cpu time spent up to now is 132.7 secs Computing kpt #: 119 total cpu time spent up to now is 133.8 secs Computing kpt #: 120 total cpu time spent up to now is 134.8 secs Computing kpt #: 121 total cpu time spent up to now is 136.3 secs Computing kpt #: 122 total cpu time spent up to now is 137.4 secs Computing kpt #: 123 total cpu time spent up to now is 138.4 secs Computing kpt #: 124 total cpu time spent up to now is 139.4 secs Computing kpt #: 125 total cpu time spent up to now is 140.4 secs Computing kpt #: 126 total cpu time spent up to now is 141.3 secs Computing kpt #: 127 total cpu time spent up to now is 142.3 secs Computing kpt #: 128 total cpu time spent up to now is 143.2 secs Computing kpt #: 129 total cpu time spent up to now is 144.1 secs Computing kpt #: 130 total cpu time spent up to now is 144.9 secs Computing kpt #: 131 total cpu time spent up to now is 145.8 secs Computing kpt #: 132 total cpu time spent up to now is 146.7 secs Computing kpt #: 133 total cpu time spent up to now is 147.6 secs Computing kpt #: 134 total cpu time spent up to now is 148.5 secs Computing kpt #: 135 total cpu time spent up to now is 149.4 secs Computing kpt #: 136 total cpu time spent up to now is 150.3 secs Computing kpt #: 137 total cpu time spent up to now is 151.2 secs Computing kpt #: 138 total cpu time spent up to now is 152.1 secs Computing kpt #: 139 total cpu time spent up to now is 152.9 secs Computing kpt #: 140 total cpu time spent up to now is 153.8 secs Computing kpt #: 141 total cpu time spent up to now is 154.7 secs Computing kpt #: 142 total cpu time spent up to now is 155.5 secs Computing kpt #: 143 total cpu time spent up to now is 156.3 secs Computing kpt #: 144 total cpu time spent up to now is 157.2 secs Computing kpt #: 145 total cpu time spent up to now is 158.0 secs Computing kpt #: 146 total cpu time spent up to now is 158.8 secs Computing kpt #: 147 total cpu time spent up to now is 159.5 secs Computing kpt #: 148 total cpu time spent up to now is 160.3 secs Computing kpt #: 149 total cpu time spent up to now is 161.0 secs Computing kpt #: 150 total cpu time spent up to now is 161.8 secs Computing kpt #: 151 total cpu time spent up to now is 162.5 secs Computing kpt #: 152 total cpu time spent up to now is 163.2 secs Computing kpt #: 153 total cpu time spent up to now is 163.9 secs Computing kpt #: 154 total cpu time spent up to now is 164.5 secs Computing kpt #: 155 total cpu time spent up to now is 165.1 secs Computing kpt #: 156 total cpu time spent up to now is 165.7 secs Computing kpt #: 157 total cpu time spent up to now is 166.7 secs Computing kpt #: 158 total cpu time spent up to now is 167.2 secs Computing kpt #: 159 total cpu time spent up to now is 167.8 secs Computing kpt #: 160 total cpu time spent up to now is 168.4 secs Computing kpt #: 161 total cpu time spent up to now is 169.0 secs Computing kpt #: 162 total cpu time spent up to now is 169.6 secs Computing kpt #: 163 total cpu time spent up to now is 170.2 secs Computing kpt #: 164 total cpu time spent up to now is 170.8 secs Computing kpt #: 165 total cpu time spent up to now is 171.3 secs Computing kpt #: 166 total cpu time spent up to now is 171.9 secs Computing kpt #: 167 total cpu time spent up to now is 172.5 secs Computing kpt #: 168 total cpu time spent up to now is 173.1 secs Computing kpt #: 169 total cpu time spent up to now is 173.7 secs Computing kpt #: 170 total cpu time spent up to now is 174.3 secs Computing kpt #: 171 total cpu time spent up to now is 174.9 secs Computing kpt #: 172 total cpu time spent up to now is 175.5 secs Computing kpt #: 173 total cpu time spent up to now is 176.1 secs Computing kpt #: 174 total cpu time spent up to now is 176.6 secs Computing kpt #: 175 total cpu time spent up to now is 177.2 secs Computing kpt #: 176 total cpu time spent up to now is 177.8 secs Computing kpt #: 177 total cpu time spent up to now is 178.4 secs Computing kpt #: 178 total cpu time spent up to now is 179.0 secs Computing kpt #: 179 total cpu time spent up to now is 179.6 secs Computing kpt #: 180 total cpu time spent up to now is 180.2 secs Computing kpt #: 181 total cpu time spent up to now is 180.7 secs Computing kpt #: 182 total cpu time spent up to now is 181.3 secs Computing kpt #: 183 total cpu time spent up to now is 181.9 secs Computing kpt #: 184 total cpu time spent up to now is 182.6 secs Computing kpt #: 185 total cpu time spent up to now is 183.2 secs Computing kpt #: 186 total cpu time spent up to now is 183.8 secs Computing kpt #: 187 total cpu time spent up to now is 184.5 secs Computing kpt #: 188 total cpu time spent up to now is 185.2 secs Computing kpt #: 189 total cpu time spent up to now is 185.9 secs Computing kpt #: 190 total cpu time spent up to now is 186.6 secs Computing kpt #: 191 total cpu time spent up to now is 187.4 secs Computing kpt #: 192 total cpu time spent up to now is 188.2 secs Computing kpt #: 193 total cpu time spent up to now is 189.0 secs Computing kpt #: 194 total cpu time spent up to now is 189.8 secs Computing kpt #: 195 total cpu time spent up to now is 190.6 secs Computing kpt #: 196 total cpu time spent up to now is 191.5 secs Computing kpt #: 197 total cpu time spent up to now is 192.3 secs Computing kpt #: 198 total cpu time spent up to now is 193.3 secs Computing kpt #: 199 total cpu time spent up to now is 194.3 secs Computing kpt #: 200 total cpu time spent up to now is 195.7 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.3 secs Computing kpt #: 202 total cpu time spent up to now is 200.1 secs Computing kpt #: 203 total cpu time spent up to now is 201.3 secs Computing kpt #: 204 total cpu time spent up to now is 202.4 secs Computing kpt #: 205 total cpu time spent up to now is 203.5 secs Computing kpt #: 206 total cpu time spent up to now is 204.7 secs Computing kpt #: 207 total cpu time spent up to now is 205.8 secs Computing kpt #: 208 total cpu time spent up to now is 206.8 secs Computing kpt #: 209 total cpu time spent up to now is 208.2 secs Computing kpt #: 210 total cpu time spent up to now is 209.6 secs Computing kpt #: 211 total cpu time spent up to now is 210.9 secs Computing kpt #: 212 total cpu time spent up to now is 212.3 secs Computing kpt #: 213 total cpu time spent up to now is 213.7 secs Computing kpt #: 214 total cpu time spent up to now is 215.4 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.1 secs Computing kpt #: 216 total cpu time spent up to now is 218.5 secs Computing kpt #: 217 total cpu time spent up to now is 219.9 secs Computing kpt #: 218 total cpu time spent up to now is 220.8 secs Computing kpt #: 219 total cpu time spent up to now is 221.7 secs Computing kpt #: 220 total cpu time spent up to now is 222.6 secs Computing kpt #: 221 total cpu time spent up to now is 223.5 secs Computing kpt #: 222 total cpu time spent up to now is 224.3 secs Computing kpt #: 223 total cpu time spent up to now is 225.2 secs Computing kpt #: 224 total cpu time spent up to now is 226.0 secs Computing kpt #: 225 total cpu time spent up to now is 226.8 secs Computing kpt #: 226 total cpu time spent up to now is 227.7 secs Computing kpt #: 227 total cpu time spent up to now is 228.5 secs Computing kpt #: 228 total cpu time spent up to now is 229.3 secs Computing kpt #: 229 total cpu time spent up to now is 230.0 secs Computing kpt #: 230 total cpu time spent up to now is 230.8 secs Computing kpt #: 231 total cpu time spent up to now is 231.6 secs Computing kpt #: 232 total cpu time spent up to now is 232.3 secs Computing kpt #: 233 total cpu time spent up to now is 233.0 secs Computing kpt #: 234 total cpu time spent up to now is 233.7 secs Computing kpt #: 235 total cpu time spent up to now is 234.4 secs Computing kpt #: 236 total cpu time spent up to now is 235.1 secs Computing kpt #: 237 total cpu time spent up to now is 235.8 secs Computing kpt #: 238 total cpu time spent up to now is 236.4 secs Computing kpt #: 239 total cpu time spent up to now is 237.0 secs Computing kpt #: 240 total cpu time spent up to now is 237.6 secs Computing kpt #: 241 total cpu time spent up to now is 238.2 secs Computing kpt #: 242 total cpu time spent up to now is 238.8 secs Computing kpt #: 243 total cpu time spent up to now is 239.4 secs Computing kpt #: 244 total cpu time spent up to now is 240.0 secs Computing kpt #: 245 total cpu time spent up to now is 240.6 secs Computing kpt #: 246 total cpu time spent up to now is 241.1 secs Computing kpt #: 247 total cpu time spent up to now is 241.7 secs Computing kpt #: 248 total cpu time spent up to now is 242.3 secs Computing kpt #: 249 total cpu time spent up to now is 242.9 secs Computing kpt #: 250 total cpu time spent up to now is 243.5 secs ethr = 2.38E-08, avg # of iterations = 47.8 total cpu time spent up to now is 243.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -33.4552 -33.4552 -33.3928 -33.3928 -33.3928 -33.3928 -14.7728 -14.7728 -14.7728 -14.7728 -14.5972 -14.5972 -14.4438 -14.4438 -14.3596 -14.3596 -14.3596 -14.3596 -14.2826 -14.2826 -14.1823 -14.1823 -14.1823 -14.1823 0.1380 0.1380 0.1380 0.1380 1.9043 1.9043 1.9043 1.9043 1.9469 1.9469 2.0006 2.0006 6.3779 6.3779 8.7719 8.7719 8.7755 8.7755 8.7755 8.7755 9.1974 9.1974 9.1974 9.1974 9.2261 9.2261 k = 0.0000 0.0156-0.0000 ( 4181 PWs) bands (ev): -33.4552 -33.4552 -33.3928 -33.3928 -33.3928 -33.3928 -14.7728 -14.7728 -14.7728 -14.7728 -14.5972 -14.5972 -14.4438 -14.4438 -14.3596 -14.3596 -14.3596 -14.3596 -14.2827 -14.2827 -14.1825 -14.1825 -14.1824 -14.1824 0.1381 0.1381 0.1381 0.1381 1.9044 1.9044 1.9045 1.9045 1.9469 1.9469 2.0021 2.0021 6.3779 6.3779 8.7042 8.7042 8.7771 8.7771 8.8307 8.8307 9.1959 9.1959 9.1960 9.1960 9.2228 9.2228 k = 0.0000 0.0312-0.0000 ( 4213 PWs) bands (ev): -33.4551 -33.4551 -33.3930 -33.3930 -33.3928 -33.3928 -14.7728 -14.7728 -14.7725 -14.7725 -14.5974 -14.5974 -14.4437 -14.4437 -14.3598 -14.3598 -14.3596 -14.3596 -14.2828 -14.2828 -14.1830 -14.1830 -14.1826 -14.1826 0.1382 0.1382 0.1384 0.1384 1.9046 1.9046 1.9051 1.9051 1.9471 1.9471 2.0068 2.0068 6.3777 6.3777 8.6254 8.6254 8.7817 8.7817 8.8708 8.8708 9.1887 9.1887 9.1958 9.1958 9.2166 9.2166 k = 0.0000 0.0469-0.0000 ( 4224 PWs) bands (ev): -33.4549 -33.4549 -33.3931 -33.3931 -33.3929 -33.3929 -14.7727 -14.7727 -14.7719 -14.7719 -14.5976 -14.5976 -14.4435 -14.4435 -14.3599 -14.3599 -14.3594 -14.3594 -14.2830 -14.2830 -14.1838 -14.1838 -14.1829 -14.1829 0.1384 0.1384 0.1389 0.1389 1.9051 1.9051 1.9060 1.9060 1.9473 1.9473 2.0145 2.0145 6.3772 6.3772 8.5398 8.5398 8.7893 8.7893 8.8904 8.8904 9.1724 9.1724 9.2047 9.2047 9.2141 9.2141 k = 0.0000 0.0625-0.0000 ( 4220 PWs) bands (ev): -33.4547 -33.4547 -33.3934 -33.3934 -33.3929 -33.3929 -14.7725 -14.7725 -14.7711 -14.7711 -14.5978 -14.5978 -14.4432 -14.4432 -14.3599 -14.3599 -14.3591 -14.3591 -14.2832 -14.2832 -14.1850 -14.1850 -14.1834 -14.1834 0.1386 0.1386 0.1395 0.1395 1.9056 1.9056 1.9073 1.9073 1.9476 1.9476 2.0254 2.0254 6.3761 6.3761 8.4495 8.4495 8.8001 8.8001 8.8898 8.8898 9.1494 9.1494 9.2151 9.2151 9.2259 9.2259 k = 0.0000 0.0781-0.0000 ( 4232 PWs) bands (ev): -33.4544 -33.4544 -33.3937 -33.3937 -33.3929 -33.3929 -14.7723 -14.7723 -14.7701 -14.7701 -14.5982 -14.5982 -14.4429 -14.4429 -14.3601 -14.3601 -14.3587 -14.3587 -14.2835 -14.2835 -14.1864 -14.1864 -14.1839 -14.1839 0.1390 0.1390 0.1404 0.1404 1.9064 1.9064 1.9089 1.9089 1.9481 1.9481 2.0394 2.0394 6.3741 6.3741 8.3561 8.3561 8.8138 8.8138 8.8740 8.8740 9.1228 9.1228 9.2179 9.2179 9.2564 9.2564 k = 0.0000 0.0938-0.0000 ( 4240 PWs) bands (ev): -33.4540 -33.4540 -33.3940 -33.3940 -33.3929 -33.3929 -14.7720 -14.7720 -14.7688 -14.7688 -14.5986 -14.5986 -14.4424 -14.4424 -14.3602 -14.3602 -14.3583 -14.3583 -14.2838 -14.2838 -14.1883 -14.1883 -14.1846 -14.1846 0.1394 0.1394 0.1414 0.1414 1.9073 1.9073 1.9107 1.9107 1.9486 1.9486 2.0566 2.0566 6.3706 6.3706 8.2615 8.2615 8.8305 8.8305 8.8488 8.8488 9.0941 9.0941 9.2218 9.2218 9.2921 9.2921 k = 0.0000 0.1094-0.0000 ( 4236 PWs) bands (ev): -33.4536 -33.4536 -33.3945 -33.3945 -33.3929 -33.3929 -14.7716 -14.7716 -14.7673 -14.7673 -14.5991 -14.5991 -14.4419 -14.4419 -14.3603 -14.3603 -14.3577 -14.3577 -14.2842 -14.2842 -14.1903 -14.1903 -14.1854 -14.1854 0.1399 0.1399 0.1425 0.1425 1.9083 1.9083 1.9127 1.9127 1.9492 1.9492 2.0768 2.0768 6.3649 6.3649 8.1671 8.1671 8.8183 8.8183 8.8501 8.8501 9.0644 9.0644 9.2266 9.2266 9.3300 9.3300 k = 0.0000 0.1250-0.0000 ( 4224 PWs) bands (ev): -33.4530 -33.4530 -33.3950 -33.3950 -33.3929 -33.3929 -14.7712 -14.7712 -14.7655 -14.7655 -14.5996 -14.5996 -14.4412 -14.4412 -14.3603 -14.3603 -14.3571 -14.3571 -14.2846 -14.2846 -14.1926 -14.1926 -14.1863 -14.1863 0.1404 0.1404 0.1439 0.1439 1.9095 1.9095 1.9149 1.9149 1.9499 1.9499 2.1001 2.1001 6.3562 6.3562 8.0748 8.0748 8.7849 8.7849 8.8724 8.8724 9.0342 9.0342 9.2323 9.2323 9.3685 9.3685 k = 0.0000 0.1406-0.0000 ( 4224 PWs) bands (ev): -33.4525 -33.4525 -33.3955 -33.3955 -33.3929 -33.3929 -14.7708 -14.7708 -14.7636 -14.7636 -14.6004 -14.6004 -14.4405 -14.4405 -14.3603 -14.3603 -14.3564 -14.3564 -14.2851 -14.2851 -14.1953 -14.1953 -14.1873 -14.1873 0.1410 0.1410 0.1453 0.1453 1.9108 1.9108 1.9173 1.9173 1.9506 1.9506 2.1264 2.1264 6.3434 6.3434 7.9862 7.9862 8.7502 8.7502 8.8969 8.8969 9.0042 9.0042 9.2386 9.2387 9.4067 9.4067 k = 0.0000 0.1562-0.0000 ( 4228 PWs) bands (ev): -33.4519 -33.4519 -33.3961 -33.3961 -33.3928 -33.3928 -14.7702 -14.7702 -14.7614 -14.7614 -14.6013 -14.6013 -14.4396 -14.4396 -14.3603 -14.3603 -14.3556 -14.3556 -14.2857 -14.2857 -14.1983 -14.1983 -14.1884 -14.1884 0.1416 0.1416 0.1469 0.1469 1.9121 1.9121 1.9199 1.9199 1.9515 1.9515 2.1556 2.1556 6.3256 6.3256 7.9032 7.9032 8.7150 8.7150 8.9215 8.9215 8.9769 8.9769 9.2456 9.2456 9.4441 9.4441 k = 0.0000 0.1719-0.0000 ( 4216 PWs) bands (ev): -33.4512 -33.4512 -33.3968 -33.3968 -33.3928 -33.3928 -14.7697 -14.7697 -14.7590 -14.7590 -14.6022 -14.6022 -14.4387 -14.4387 -14.3602 -14.3602 -14.3546 -14.3546 -14.2863 -14.2863 -14.2016 -14.2016 -14.1896 -14.1896 0.1423 0.1423 0.1485 0.1485 1.9136 1.9136 1.9226 1.9226 1.9524 1.9524 2.1876 2.1876 6.3016 6.3016 7.8273 7.8273 8.6799 8.6799 8.9277 8.9277 8.9708 8.9708 9.2533 9.2533 9.4808 9.4808 k = 0.0000 0.1875-0.0000 ( 4216 PWs) bands (ev): -33.4505 -33.4505 -33.3975 -33.3975 -33.3928 -33.3928 -14.7691 -14.7691 -14.7564 -14.7564 -14.6034 -14.6034 -14.4377 -14.4377 -14.3600 -14.3600 -14.3537 -14.3537 -14.2870 -14.2870 -14.2051 -14.2051 -14.1908 -14.1908 0.1431 0.1431 0.1503 0.1503 1.9152 1.9152 1.9254 1.9254 1.9533 1.9533 2.2224 2.2224 6.2703 6.2703 7.7601 7.7601 8.6452 8.6452 8.9038 8.9038 8.9977 8.9977 9.2615 9.2615 9.5166 9.5166 k = 0.0000 0.2031-0.0000 ( 4212 PWs) bands (ev): -33.4497 -33.4497 -33.3982 -33.3982 -33.3928 -33.3928 -14.7685 -14.7685 -14.7536 -14.7536 -14.6047 -14.6047 -14.4367 -14.4367 -14.3597 -14.3597 -14.3526 -14.3526 -14.2877 -14.2877 -14.2088 -14.2088 -14.1921 -14.1921 0.1438 0.1438 0.1521 0.1521 1.9168 1.9168 1.9283 1.9283 1.9542 1.9542 2.2597 2.2597 6.2309 6.2309 7.7030 7.7030 8.6113 8.6113 8.8751 8.8751 9.0324 9.0324 9.2703 9.2703 9.5515 9.5515 k = 0.0000 0.2188-0.0000 ( 4224 PWs) bands (ev): -33.4489 -33.4489 -33.3990 -33.3990 -33.3928 -33.3928 -14.7679 -14.7679 -14.7506 -14.7506 -14.6062 -14.6062 -14.4356 -14.4356 -14.3593 -14.3593 -14.3515 -14.3515 -14.2886 -14.2886 -14.2129 -14.2129 -14.1935 -14.1935 0.1446 0.1446 0.1539 0.1539 1.9185 1.9185 1.9312 1.9312 1.9552 1.9552 2.2995 2.2995 6.1829 6.1829 7.6567 7.6567 8.5783 8.5783 8.8461 8.8461 9.0703 9.0703 9.2796 9.2796 9.5854 9.5854 k = 0.0000 0.2344-0.0000 ( 4224 PWs) bands (ev): -33.4481 -33.4481 -33.3999 -33.3999 -33.3928 -33.3928 -14.7673 -14.7673 -14.7475 -14.7475 -14.6078 -14.6078 -14.4345 -14.4345 -14.3587 -14.3587 -14.3502 -14.3502 -14.2895 -14.2895 -14.2171 -14.2171 -14.1949 -14.1949 0.1454 0.1454 0.1558 0.1558 1.9202 1.9202 1.9342 1.9342 1.9563 1.9563 2.3417 2.3417 6.1265 6.1265 7.6215 7.6215 8.5465 8.5465 8.8177 8.8177 9.1107 9.1107 9.2893 9.2893 9.6185 9.6185 k = 0.0000 0.2500-0.0000 ( 4224 PWs) bands (ev): -33.4472 -33.4472 -33.4008 -33.4008 -33.3928 -33.3928 -14.7666 -14.7666 -14.7443 -14.7443 -14.6097 -14.6097 -14.4334 -14.4334 -14.3580 -14.3580 -14.3489 -14.3489 -14.2905 -14.2905 -14.2215 -14.2215 -14.1963 -14.1963 0.1462 0.1462 0.1577 0.1577 1.9219 1.9219 1.9373 1.9373 1.9573 1.9573 2.3859 2.3859 6.0623 6.0623 7.5972 7.5972 8.5160 8.5160 8.7900 8.7900 9.1531 9.1531 9.2995 9.2995 9.6506 9.6506 k = 0.0000 0.2656-0.0000 ( 4216 PWs) bands (ev): -33.4463 -33.4463 -33.4017 -33.4017 -33.3928 -33.3928 -14.7660 -14.7660 -14.7408 -14.7408 -14.6116 -14.6116 -14.4322 -14.4322 -14.3570 -14.3570 -14.3475 -14.3475 -14.2915 -14.2915 -14.2260 -14.2260 -14.1977 -14.1977 0.1470 0.1470 0.1596 0.1596 1.9236 1.9236 1.9403 1.9403 1.9583 1.9583 2.4319 2.4319 5.9911 5.9911 7.5829 7.5829 8.4869 8.4869 8.7633 8.7633 9.1971 9.1971 9.3103 9.3103 9.6819 9.6819 k = 0.0000 0.2812-0.0000 ( 4224 PWs) bands (ev): -33.4453 -33.4453 -33.4026 -33.4026 -33.3928 -33.3928 -14.7654 -14.7654 -14.7373 -14.7373 -14.6138 -14.6138 -14.4310 -14.4310 -14.3559 -14.3559 -14.3461 -14.3461 -14.2926 -14.2926 -14.2308 -14.2308 -14.1990 -14.1990 0.1478 0.1478 0.1615 0.1615 1.9253 1.9253 1.9433 1.9433 1.9594 1.9594 2.4796 2.4796 5.9144 5.9144 7.5775 7.5775 8.4594 8.4594 8.7377 8.7377 9.2416 9.2416 9.3223 9.3223 9.7121 9.7121 k = 0.0000 0.2969-0.0000 ( 4220 PWs) bands (ev): -33.4443 -33.4443 -33.4036 -33.4036 -33.3928 -33.3928 -14.7648 -14.7648 -14.7336 -14.7336 -14.6161 -14.6161 -14.4299 -14.4299 -14.3545 -14.3545 -14.3445 -14.3445 -14.2938 -14.2938 -14.2356 -14.2356 -14.2004 -14.2004 0.1486 0.1486 0.1633 0.1633 1.9269 1.9269 1.9462 1.9462 1.9604 1.9604 2.5286 2.5286 5.8337 5.8337 7.5798 7.5798 8.4335 8.4335 8.7134 8.7134 9.2843 9.2843 9.3374 9.3374 9.7414 9.7414 k = 0.0000 0.3125-0.0000 ( 4224 PWs) bands (ev): -33.4433 -33.4433 -33.4046 -33.4046 -33.3928 -33.3928 -14.7642 -14.7642 -14.7299 -14.7299 -14.6186 -14.6186 -14.4288 -14.4288 -14.3529 -14.3529 -14.3430 -14.3430 -14.2951 -14.2951 -14.2405 -14.2405 -14.2017 -14.2017 0.1493 0.1493 0.1651 0.1651 1.9286 1.9286 1.9490 1.9490 1.9614 1.9614 2.5785 2.5785 5.7504 5.7504 7.5884 7.5884 8.4095 8.4095 8.6904 8.6904 9.3174 9.3174 9.3630 9.3630 9.7695 9.7695 k = 0.0000 0.3281-0.0000 ( 4216 PWs) bands (ev): -33.4423 -33.4423 -33.4056 -33.4056 -33.3928 -33.3928 -14.7636 -14.7636 -14.7261 -14.7261 -14.6212 -14.6212 -14.4278 -14.4278 -14.3510 -14.3510 -14.3413 -14.3413 -14.2964 -14.2964 -14.2456 -14.2456 -14.2030 -14.2030 0.1500 0.1500 0.1668 0.1668 1.9301 1.9301 1.9518 1.9518 1.9623 1.9623 2.6288 2.6288 5.6661 5.6661 7.6020 7.6020 8.3873 8.3873 8.6690 8.6690 9.3362 9.3362 9.4034 9.4034 9.7964 9.7964 k = 0.0000 0.3438-0.0000 ( 4216 PWs) bands (ev): -33.4412 -33.4412 -33.4066 -33.4066 -33.3928 -33.3928 -14.7631 -14.7631 -14.7222 -14.7222 -14.6239 -14.6239 -14.4268 -14.4268 -14.3489 -14.3489 -14.3396 -14.3396 -14.2978 -14.2978 -14.2507 -14.2507 -14.2042 -14.2042 0.1507 0.1507 0.1684 0.1684 1.9316 1.9316 1.9543 1.9543 1.9633 1.9633 2.6792 2.6792 5.5822 5.5822 7.6193 7.6193 8.3670 8.3670 8.6492 8.6492 9.3486 9.3486 9.4498 9.4498 9.8219 9.8220 k = 0.0000 0.3594-0.0000 ( 4224 PWs) bands (ev): -33.4402 -33.4402 -33.4077 -33.4077 -33.3928 -33.3928 -14.7625 -14.7625 -14.7183 -14.7183 -14.6269 -14.6269 -14.4259 -14.4259 -14.3465 -14.3465 -14.3379 -14.3379 -14.2993 -14.2993 -14.2558 -14.2558 -14.2054 -14.2054 0.1514 0.1514 0.1699 0.1699 1.9329 1.9329 1.9567 1.9567 1.9641 1.9641 2.7289 2.7289 5.5002 5.5002 7.6391 7.6391 8.3488 8.3488 8.6309 8.6309 9.3588 9.3588 9.4975 9.4975 9.8459 9.8460 k = 0.0000 0.3750-0.0000 ( 4220 PWs) bands (ev): -33.4392 -33.4392 -33.4086 -33.4086 -33.3927 -33.3927 -14.7620 -14.7620 -14.7145 -14.7145 -14.6298 -14.6298 -14.4251 -14.4251 -14.3438 -14.3438 -14.3360 -14.3360 -14.3008 -14.3008 -14.2610 -14.2610 -14.2064 -14.2064 0.1520 0.1520 0.1712 0.1712 1.9342 1.9342 1.9590 1.9590 1.9649 1.9649 2.7774 2.7774 5.4214 5.4214 7.6602 7.6602 8.3326 8.3326 8.6145 8.6145 9.3677 9.3677 9.5447 9.5447 9.8683 9.8684 k = 0.0000 0.3906-0.0000 ( 4220 PWs) bands (ev): -33.4383 -33.4383 -33.4096 -33.4096 -33.3927 -33.3927 -14.7616 -14.7616 -14.7107 -14.7107 -14.6328 -14.6328 -14.4244 -14.4244 -14.3410 -14.3410 -14.3342 -14.3342 -14.3023 -14.3023 -14.2660 -14.2660 -14.2074 -14.2074 0.1525 0.1525 0.1725 0.1725 1.9353 1.9353 1.9610 1.9610 1.9656 1.9656 2.8237 2.8237 5.3471 5.3471 7.6817 7.6817 8.3185 8.3185 8.5998 8.5998 9.3758 9.3758 9.5903 9.5903 9.8888 9.8888 k = 0.0000 0.4062-0.0000 ( 4220 PWs) bands (ev): -33.4374 -33.4374 -33.4105 -33.4105 -33.3927 -33.3927 -14.7612 -14.7612 -14.7071 -14.7071 -14.6357 -14.6357 -14.4238 -14.4238 -14.3380 -14.3380 -14.3324 -14.3324 -14.3039 -14.3039 -14.2710 -14.2710 -14.2082 -14.2082 0.1530 0.1530 0.1736 0.1736 1.9363 1.9363 1.9628 1.9628 1.9663 1.9663 2.8670 2.8670 5.2789 5.2789 7.7025 7.7025 8.3065 8.3065 8.5869 8.5869 9.3829 9.3829 9.6331 9.6331 9.9071 9.9072 k = 0.0000 0.4219-0.0000 ( 4220 PWs) bands (ev): -33.4365 -33.4365 -33.4113 -33.4113 -33.3927 -33.3927 -14.7609 -14.7609 -14.7036 -14.7036 -14.6385 -14.6385 -14.4233 -14.4233 -14.3349 -14.3349 -14.3307 -14.3307 -14.3054 -14.3054 -14.2757 -14.2757 -14.2089 -14.2089 0.1534 0.1534 0.1745 0.1745 1.9372 1.9372 1.9643 1.9643 1.9668 1.9668 2.9063 2.9063 5.2179 5.2179 7.7217 7.7217 8.2966 8.2966 8.5760 8.5760 9.3890 9.3890 9.6721 9.6721 9.9233 9.9241 k = 0.0000 0.4375-0.0000 ( 4216 PWs) bands (ev): -33.4358 -33.4358 -33.4121 -33.4121 -33.3927 -33.3927 -14.7606 -14.7606 -14.7005 -14.7005 -14.6411 -14.6411 -14.4228 -14.4228 -14.3319 -14.3319 -14.3291 -14.3291 -14.3069 -14.3069 -14.2801 -14.2801 -14.2095 -14.2095 0.1537 0.1537 0.1753 0.1753 1.9379 1.9379 1.9656 1.9656 1.9673 1.9673 2.9405 2.9405 5.1656 5.1656 7.7386 7.7386 8.2887 8.2887 8.5670 8.5670 9.3941 9.3941 9.7062 9.7062 9.9366 9.9367 k = 0.0000 0.4531-0.0000 ( 4220 PWs) bands (ev): -33.4352 -33.4352 -33.4127 -33.4127 -33.3927 -33.3927 -14.7604 -14.7604 -14.6978 -14.6978 -14.6435 -14.6435 -14.4225 -14.4225 -14.3290 -14.3290 -14.3276 -14.3276 -14.3083 -14.3083 -14.2841 -14.2841 -14.2101 -14.2101 0.1540 0.1540 0.1759 0.1759 1.9385 1.9385 1.9666 1.9666 1.9676 1.9676 2.9685 2.9685 5.1233 5.1233 7.7525 7.7525 8.2827 8.2827 8.5599 8.5599 9.3981 9.3981 9.7343 9.7343 9.9474 9.9474 k = 0.0000 0.4688-0.0000 ( 4220 PWs) bands (ev): -33.4347 -33.4347 -33.4132 -33.4132 -33.3927 -33.3927 -14.7602 -14.7602 -14.6957 -14.6957 -14.6453 -14.6453 -14.4222 -14.4222 -14.3264 -14.3264 -14.3263 -14.3263 -14.3095 -14.3095 -14.2874 -14.2874 -14.2104 -14.2104 0.1542 0.1542 0.1764 0.1764 1.9389 1.9389 1.9674 1.9674 1.9679 1.9679 2.9894 2.9894 5.0921 5.0921 7.7628 7.7628 8.2785 8.2785 8.5549 8.5549 9.4011 9.4011 9.7552 9.7552 9.9551 9.9555 k = 0.0000 0.4844-0.0000 ( 4220 PWs) bands (ev): -33.4344 -33.4344 -33.4135 -33.4135 -33.3927 -33.3927 -14.7601 -14.7601 -14.6944 -14.6944 -14.6466 -14.6466 -14.4221 -14.4221 -14.3253 -14.3253 -14.3247 -14.3247 -14.3103 -14.3103 -14.2897 -14.2897 -14.2107 -14.2107 0.1543 0.1543 0.1767 0.1767 1.9391 1.9391 1.9678 1.9678 1.9680 1.9680 3.0023 3.0023 5.0730 5.0730 7.7692 7.7692 8.2761 8.2761 8.5519 8.5519 9.4028 9.4028 9.7682 9.7682 9.9599 9.9600 k = 0.0000 0.5000-0.0000 ( 4220 PWs) bands (ev): -33.4343 -33.4343 -33.4136 -33.4136 -33.3927 -33.3927 -14.7600 -14.7600 -14.6939 -14.6939 -14.6470 -14.6470 -14.4220 -14.4220 -14.3250 -14.3250 -14.3241 -14.3241 -14.3106 -14.3106 -14.2905 -14.2905 -14.2107 -14.2107 0.1543 0.1543 0.1767 0.1767 1.9392 1.9392 1.9680 1.9680 1.9681 1.9681 3.0067 3.0067 5.0665 5.0665 7.7713 7.7713 8.2753 8.2753 8.5509 8.5509 9.4034 9.4034 9.7725 9.7725 9.9615 9.9620 k = 0.0000 0.5000-0.0000 ( 4220 PWs) bands (ev): -33.4343 -33.4343 -33.4136 -33.4136 -33.3927 -33.3927 -14.7600 -14.7600 -14.6939 -14.6939 -14.6470 -14.6470 -14.4220 -14.4220 -14.3250 -14.3250 -14.3241 -14.3241 -14.3106 -14.3106 -14.2905 -14.2905 -14.2107 -14.2107 0.1543 0.1543 0.1767 0.1767 1.9392 1.9392 1.9680 1.9680 1.9681 1.9681 3.0067 3.0067 5.0665 5.0665 7.7713 7.7713 8.2753 8.2753 8.5509 8.5509 9.4034 9.4034 9.7725 9.7725 9.9615 9.9623 k = 0.0156 0.5000-0.0000 ( 4220 PWs) bands (ev): -33.4343 -33.4343 -33.4136 -33.4136 -33.3927 -33.3927 -14.7600 -14.7600 -14.6940 -14.6940 -14.6471 -14.6471 -14.4220 -14.4220 -14.3257 -14.3257 -14.3239 -14.3239 -14.3103 -14.3103 -14.2902 -14.2902 -14.2108 -14.2108 0.1544 0.1544 0.1767 0.1767 1.9393 1.9393 1.9680 1.9680 1.9681 1.9681 3.0075 3.0075 5.0683 5.0683 7.7715 7.7715 8.2717 8.2717 8.5467 8.5467 9.4029 9.4029 9.7738 9.7738 9.9593 9.9597 k = 0.0312 0.5000-0.0000 ( 4216 PWs) bands (ev): -33.4342 -33.4342 -33.4136 -33.4136 -33.3928 -33.3928 -14.7599 -14.7599 -14.6942 -14.6942 -14.6473 -14.6473 -14.4218 -14.4218 -14.3272 -14.3272 -14.3237 -14.3237 -14.3095 -14.3095 -14.2895 -14.2895 -14.2109 -14.2109 0.1545 0.1545 0.1767 0.1767 1.9397 1.9397 1.9678 1.9678 1.9686 1.9686 3.0100 3.0100 5.0737 5.0737 7.7719 7.7719 8.2605 8.2605 8.5350 8.5350 9.4013 9.4013 9.7774 9.7774 9.9494 9.9494 k = 0.0469 0.5000-0.0000 ( 4212 PWs) bands (ev): -33.4341 -33.4341 -33.4136 -33.4136 -33.3929 -33.3929 -14.7596 -14.7596 -14.6946 -14.6946 -14.6477 -14.6477 -14.4215 -14.4215 -14.3292 -14.3292 -14.3235 -14.3235 -14.3085 -14.3085 -14.2882 -14.2882 -14.2112 -14.2112 0.1547 0.1547 0.1767 0.1767 1.9402 1.9402 1.9674 1.9674 1.9693 1.9693 3.0142 3.0142 5.0827 5.0827 7.7723 7.7723 8.2404 8.2404 8.5183 8.5183 9.3988 9.3988 9.7827 9.7827 9.9317 9.9317 k = 0.0625 0.5000-0.0000 ( 4216 PWs) bands (ev): -33.4339 -33.4339 -33.4136 -33.4136 -33.3931 -33.3931 -14.7593 -14.7593 -14.6951 -14.6951 -14.6483 -14.6483 -14.4211 -14.4211 -14.3316 -14.3316 -14.3232 -14.3232 -14.3076 -14.3076 -14.2865 -14.2865 -14.2116 -14.2116 0.1550 0.1550 0.1767 0.1767 1.9410 1.9410 1.9668 1.9668 1.9703 1.9703 3.0201 3.0201 5.0953 5.0953 7.7726 7.7726 8.2101 8.2101 8.4999 8.4999 9.3952 9.3952 9.7888 9.7888 9.9077 9.9077 k = 0.0781 0.5000-0.0000 ( 4210 PWs) bands (ev): -33.4337 -33.4337 -33.4135 -33.4135 -33.3933 -33.3933 -14.7589 -14.7589 -14.6957 -14.6957 -14.6490 -14.6490 -14.4205 -14.4205 -14.3341 -14.3341 -14.3229 -14.3229 -14.3069 -14.3069 -14.2844 -14.2844 -14.2122 -14.2122 0.1554 0.1554 0.1767 0.1767 1.9420 1.9420 1.9661 1.9661 1.9716 1.9716 3.0276 3.0276 5.1114 5.1114 7.7719 7.7719 8.1687 8.1687 8.4829 8.4829 9.3907 9.3908 9.7946 9.7946 9.8788 9.8788 k = 0.0938 0.5000-0.0000 ( 4218 PWs) bands (ev): -33.4334 -33.4334 -33.4135 -33.4135 -33.3936 -33.3936 -14.7583 -14.7583 -14.6965 -14.6965 -14.6500 -14.6500 -14.4198 -14.4198 -14.3366 -14.3366 -14.3226 -14.3226 -14.3063 -14.3063 -14.2820 -14.2820 -14.2130 -14.2130 0.1559 0.1559 0.1767 0.1767 1.9431 1.9431 1.9652 1.9652 1.9732 1.9732 3.0368 3.0368 5.1310 5.1310 7.7693 7.7693 8.1173 8.1173 8.4689 8.4689 9.3855 9.3855 9.7992 9.7992 9.8464 9.8464 k = 0.1094 0.5000-0.0000 ( 4222 PWs) bands (ev): -33.4331 -33.4331 -33.4135 -33.4135 -33.3939 -33.3939 -14.7576 -14.7576 -14.6974 -14.6974 -14.6511 -14.6511 -14.4189 -14.4189 -14.3392 -14.3392 -14.3222 -14.3222 -14.3059 -14.3059 -14.2793 -14.2793 -14.2138 -14.2138 0.1564 0.1564 0.1767 0.1767 1.9444 1.9444 1.9642 1.9642 1.9751 1.9751 3.0476 3.0476 5.1540 5.1540 7.7630 7.7630 8.0590 8.0590 8.4581 8.4581 9.3795 9.3795 9.7975 9.7975 9.8161 9.8161 k = 0.1250 0.5000-0.0000 ( 4222 PWs) bands (ev): -33.4327 -33.4327 -33.4135 -33.4135 -33.3943 -33.3943 -14.7569 -14.7569 -14.6984 -14.6984 -14.6523 -14.6523 -14.4179 -14.4179 -14.3418 -14.3418 -14.3219 -14.3219 -14.3057 -14.3057 -14.2765 -14.2765 -14.2147 -14.2147 0.1570 0.1570 0.1766 0.1766 1.9457 1.9457 1.9631 1.9631 1.9772 1.9772 3.0601 3.0601 5.1803 5.1803 7.7495 7.7495 7.9987 7.9987 8.4503 8.4503 9.3731 9.3731 9.7682 9.7682 9.8100 9.8100 k = 0.1406 0.5000-0.0000 ( 4238 PWs) bands (ev): -33.4323 -33.4323 -33.4135 -33.4135 -33.3947 -33.3947 -14.7561 -14.7561 -14.6996 -14.6996 -14.6538 -14.6538 -14.4168 -14.4168 -14.3444 -14.3444 -14.3215 -14.3215 -14.3056 -14.3056 -14.2735 -14.2735 -14.2157 -14.2157 0.1577 0.1577 0.1766 0.1766 1.9472 1.9472 1.9619 1.9619 1.9795 1.9795 3.0742 3.0742 5.2100 5.2100 7.7230 7.7230 7.9441 7.9441 8.4446 8.4446 9.3662 9.3662 9.7303 9.7303 9.8098 9.8098 k = 0.1562 0.5000-0.0000 ( 4238 PWs) bands (ev): -33.4318 -33.4318 -33.4135 -33.4135 -33.3952 -33.3952 -14.7551 -14.7551 -14.7008 -14.7008 -14.6553 -14.6553 -14.4156 -14.4156 -14.3469 -14.3469 -14.3211 -14.3211 -14.3056 -14.3056 -14.2704 -14.2704 -14.2168 -14.2168 0.1584 0.1584 0.1766 0.1766 1.9487 1.9487 1.9606 1.9606 1.9821 1.9821 3.0899 3.0899 5.2428 5.2428 7.6773 7.6773 7.9025 7.9025 8.4406 8.4406 9.3591 9.3591 9.6917 9.6917 9.8083 9.8083 k = 0.1719 0.5000-0.0000 ( 4242 PWs) bands (ev): -33.4313 -33.4313 -33.4135 -33.4135 -33.3957 -33.3957 -14.7541 -14.7541 -14.7021 -14.7021 -14.6569 -14.6569 -14.4143 -14.4143 -14.3494 -14.3494 -14.3207 -14.3207 -14.3057 -14.3057 -14.2672 -14.2672 -14.2179 -14.2179 0.1591 0.1591 0.1765 0.1765 1.9503 1.9503 1.9592 1.9592 1.9849 1.9849 3.1071 3.1071 5.2787 5.2787 7.6123 7.6123 7.8752 7.8752 8.4377 8.4377 9.3518 9.3518 9.6539 9.6539 9.8051 9.8051 k = 0.1875 0.5000-0.0000 ( 4238 PWs) bands (ev): -33.4308 -33.4308 -33.4135 -33.4135 -33.3962 -33.3962 -14.7530 -14.7530 -14.7034 -14.7034 -14.6587 -14.6587 -14.4128 -14.4128 -14.3517 -14.3517 -14.3203 -14.3203 -14.3058 -14.3058 -14.2641 -14.2641 -14.2191 -14.2191 0.1599 0.1599 0.1765 0.1765 1.9518 1.9518 1.9578 1.9578 1.9878 1.9878 3.1259 3.1259 5.3176 5.3176 7.5340 7.5340 7.8569 7.8569 8.4356 8.4356 9.3445 9.3445 9.6179 9.6179 9.8000 9.8000 k = 0.2031 0.5000-0.0000 ( 4230 PWs) bands (ev): -33.4302 -33.4302 -33.4135 -33.4135 -33.3968 -33.3968 -14.7518 -14.7518 -14.7047 -14.7047 -14.6606 -14.6606 -14.4112 -14.4112 -14.3539 -14.3539 -14.3199 -14.3199 -14.3061 -14.3061 -14.2610 -14.2610 -14.2203 -14.2203 0.1607 0.1607 0.1764 0.1764 1.9533 1.9533 1.9564 1.9564 1.9908 1.9908 3.1460 3.1460 5.3594 5.3594 7.4483 7.4483 7.8420 7.8420 8.4341 8.4341 9.3371 9.3371 9.5845 9.5845 9.7931 9.7931 k = 0.2188 0.5000-0.0000 ( 4230 PWs) bands (ev): -33.4295 -33.4295 -33.4135 -33.4135 -33.3974 -33.3974 -14.7505 -14.7505 -14.7061 -14.7061 -14.6625 -14.6625 -14.4095 -14.4095 -14.3561 -14.3561 -14.3195 -14.3195 -14.3064 -14.3064 -14.2579 -14.2579 -14.2215 -14.2215 0.1616 0.1616 0.1763 0.1763 1.9542 1.9542 1.9557 1.9557 1.9939 1.9939 3.1674 3.1674 5.4039 5.4039 7.3589 7.3589 7.8272 7.8272 8.4328 8.4328 9.3298 9.3298 9.5545 9.5545 9.7847 9.7847 k = 0.2344 0.5000-0.0000 ( 4230 PWs) bands (ev): -33.4289 -33.4289 -33.4135 -33.4135 -33.3981 -33.3981 -14.7492 -14.7492 -14.7076 -14.7076 -14.6645 -14.6645 -14.4077 -14.4077 -14.3581 -14.3581 -14.3191 -14.3191 -14.3069 -14.3069 -14.2550 -14.2550 -14.2227 -14.2227 0.1624 0.1624 0.1763 0.1763 1.9530 1.9530 1.9568 1.9568 1.9971 1.9971 3.1901 3.1901 5.4510 5.4510 7.2680 7.2680 7.8105 7.8105 8.4318 8.4318 9.3226 9.3226 9.5286 9.5286 9.7748 9.7748 k = 0.2500 0.5000-0.0000 ( 4216 PWs) bands (ev): -33.4281 -33.4281 -33.4135 -33.4135 -33.3987 -33.3987 -14.7478 -14.7478 -14.7089 -14.7089 -14.6666 -14.6666 -14.4057 -14.4057 -14.3601 -14.3601 -14.3188 -14.3188 -14.3074 -14.3074 -14.2520 -14.2520 -14.2239 -14.2239 0.1633 0.1633 0.1762 0.1762 1.9516 1.9516 1.9583 1.9583 2.0003 2.0003 3.2138 3.2138 5.5004 5.5004 7.1771 7.1771 7.7908 7.7908 8.4309 8.4309 9.3156 9.3156 9.5075 9.5075 9.7638 9.7638 k = 0.2656 0.5000-0.0000 ( 4232 PWs) bands (ev): -33.4274 -33.4274 -33.4135 -33.4135 -33.3995 -33.3995 -14.7464 -14.7464 -14.7104 -14.7104 -14.6688 -14.6688 -14.4038 -14.4038 -14.3620 -14.3619 -14.3185 -14.3185 -14.3080 -14.3080 -14.2493 -14.2493 -14.2251 -14.2251 0.1641 0.1641 0.1761 0.1761 1.9501 1.9501 1.9598 1.9598 2.0034 2.0034 3.2385 3.2385 5.5519 5.5519 7.0873 7.0873 7.7672 7.7672 8.4300 8.4300 9.3088 9.3088 9.4914 9.4914 9.7518 9.7518 k = 0.2812 0.5000-0.0000 ( 4242 PWs) bands (ev): -33.4266 -33.4266 -33.4135 -33.4135 -33.4003 -33.4003 -14.7449 -14.7449 -14.7118 -14.7118 -14.6711 -14.6711 -14.4018 -14.4018 -14.3637 -14.3637 -14.3183 -14.3183 -14.3088 -14.3088 -14.2466 -14.2466 -14.2263 -14.2263 0.1649 0.1649 0.1761 0.1761 1.9486 1.9486 1.9612 1.9612 2.0065 2.0065 3.2638 3.2638 5.6054 5.6054 6.9993 6.9993 7.7393 7.7393 8.4292 8.4292 9.3024 9.3024 9.4806 9.4806 9.7390 9.7390 k = 0.2969 0.5000-0.0000 ( 4238 PWs) bands (ev): -33.4258 -33.4258 -33.4134 -33.4134 -33.4011 -33.4011 -14.7433 -14.7433 -14.7132 -14.7132 -14.6734 -14.6734 -14.3997 -14.3997 -14.3653 -14.3653 -14.3181 -14.3181 -14.3096 -14.3096 -14.2441 -14.2441 -14.2274 -14.2274 0.1657 0.1657 0.1760 0.1760 1.9471 1.9471 1.9626 1.9626 2.0095 2.0095 3.2896 3.2896 5.6605 5.6605 6.9140 6.9140 7.7070 7.7070 8.4284 8.4284 9.2963 9.2963 9.4752 9.4752 9.7259 9.7259 k = 0.3125 0.5000-0.0000 ( 4238 PWs) bands (ev): -33.4250 -33.4250 -33.4134 -33.4134 -33.4019 -33.4019 -14.7417 -14.7417 -14.7145 -14.7145 -14.6756 -14.6756 -14.3976 -14.3976 -14.3668 -14.3668 -14.3179 -14.3179 -14.3105 -14.3105 -14.2417 -14.2417 -14.2283 -14.2283 0.1664 0.1664 0.1759 0.1759 1.9458 1.9458 1.9639 1.9639 2.0124 2.0124 3.3157 3.3157 5.7168 5.7168 6.8321 6.8321 7.6703 7.6703 8.4276 8.4276 9.2905 9.2905 9.4749 9.4749 9.7127 9.7127 k = 0.3281 0.5000-0.0000 ( 4246 PWs) bands (ev): -33.4241 -33.4241 -33.4134 -33.4134 -33.4027 -33.4027 -14.7401 -14.7401 -14.7157 -14.7157 -14.6779 -14.6779 -14.3954 -14.3954 -14.3682 -14.3682 -14.3178 -14.3178 -14.3115 -14.3115 -14.2395 -14.2395 -14.2293 -14.2293 0.1672 0.1672 0.1759 0.1759 1.9444 1.9444 1.9652 1.9652 2.0152 2.0152 3.3418 3.3418 5.7740 5.7740 6.7543 6.7543 7.6295 7.6295 8.4268 8.4268 9.2851 9.2851 9.4795 9.4795 9.6996 9.6996 k = 0.3438 0.5000-0.0000 ( 4246 PWs) bands (ev): -33.4232 -33.4232 -33.4134 -33.4134 -33.4036 -33.4036 -14.7385 -14.7385 -14.7169 -14.7169 -14.6802 -14.6802 -14.3933 -14.3933 -14.3695 -14.3695 -14.3176 -14.3176 -14.3126 -14.3126 -14.2375 -14.2375 -14.2300 -14.2300 0.1678 0.1678 0.1758 0.1758 1.9432 1.9432 1.9663 1.9663 2.0178 2.0178 3.3675 3.3675 5.8314 5.8314 6.6813 6.6813 7.5851 7.5851 8.4260 8.4260 9.2801 9.2801 9.4882 9.4882 9.6869 9.6869 k = 0.3594 0.5000-0.0000 ( 4248 PWs) bands (ev): -33.4223 -33.4223 -33.4134 -33.4134 -33.4045 -33.4045 -14.7369 -14.7369 -14.7179 -14.7179 -14.6824 -14.6824 -14.3912 -14.3912 -14.3706 -14.3706 -14.3175 -14.3175 -14.3137 -14.3137 -14.2357 -14.2357 -14.2307 -14.2307 0.1684 0.1684 0.1758 0.1758 1.9420 1.9420 1.9674 1.9674 2.0202 2.0202 3.3924 3.3924 5.8884 5.8884 6.6139 6.6139 7.5377 7.5377 8.4253 8.4253 9.2756 9.2756 9.5004 9.5004 9.6748 9.6748 k = 0.3750 0.5000-0.0000 ( 4248 PWs) bands (ev): -33.4214 -33.4214 -33.4134 -33.4134 -33.4055 -33.4055 -14.7353 -14.7353 -14.7189 -14.7189 -14.6846 -14.6846 -14.3892 -14.3892 -14.3716 -14.3716 -14.3175 -14.3175 -14.3149 -14.3149 -14.2343 -14.2343 -14.2310 -14.2310 0.1690 0.1690 0.1758 0.1758 1.9410 1.9410 1.9684 1.9684 2.0224 2.0224 3.4163 3.4163 5.9440 5.9440 6.5530 6.5530 7.4883 7.4883 8.4247 8.4247 9.2715 9.2715 9.5152 9.5152 9.6636 9.6636 k = 0.3906 0.5000-0.0000 ( 4244 PWs) bands (ev): -33.4204 -33.4204 -33.4134 -33.4134 -33.4064 -33.4064 -14.7337 -14.7337 -14.7197 -14.7197 -14.6867 -14.6867 -14.3872 -14.3872 -14.3725 -14.3725 -14.3174 -14.3174 -14.3161 -14.3161 -14.2336 -14.2336 -14.2308 -14.2308 0.1694 0.1694 0.1758 0.1758 1.9400 1.9400 1.9692 1.9692 2.0244 2.0244 3.4387 3.4387 5.9969 5.9969 6.4997 6.4997 7.4378 7.4378 8.4242 8.4242 9.2679 9.2679 9.5316 9.5316 9.6534 9.6534 k = 0.4062 0.5000-0.0000 ( 4240 PWs) bands (ev): -33.4194 -33.4194 -33.4134 -33.4134 -33.4074 -33.4074 -14.7323 -14.7323 -14.7204 -14.7204 -14.6886 -14.6886 -14.3854 -14.3854 -14.3733 -14.3733 -14.3177 -14.3177 -14.3169 -14.3169 -14.2335 -14.2335 -14.2300 -14.2300 0.1698 0.1698 0.1758 0.1758 1.9392 1.9392 1.9700 1.9700 2.0262 2.0262 3.4593 3.4593 6.0454 6.0454 6.4553 6.4553 7.3877 7.3877 8.4237 8.4237 9.2647 9.2647 9.5486 9.5486 9.6445 9.6445 k = 0.4219 0.5000-0.0000 ( 4236 PWs) bands (ev): -33.4185 -33.4185 -33.4134 -33.4134 -33.4083 -33.4083 -14.7310 -14.7310 -14.7209 -14.7209 -14.6905 -14.6905 -14.3837 -14.3837 -14.3738 -14.3738 -14.3185 -14.3185 -14.3171 -14.3171 -14.2337 -14.2337 -14.2290 -14.2290 0.1702 0.1702 0.1758 0.1758 1.9384 1.9384 1.9706 1.9706 2.0277 2.0277 3.4775 3.4775 6.0868 6.0868 6.4215 6.4215 7.3394 7.3394 8.4234 8.4234 9.2620 9.2620 9.5648 9.5648 9.6371 9.6371 k = 0.4375 0.5000-0.0000 ( 4244 PWs) bands (ev): -33.4175 -33.4175 -33.4134 -33.4134 -33.4093 -33.4093 -14.7299 -14.7299 -14.7212 -14.7212 -14.6921 -14.6921 -14.3824 -14.3824 -14.3744 -14.3744 -14.3195 -14.3195 -14.3171 -14.3171 -14.2340 -14.2340 -14.2282 -14.2282 0.1704 0.1704 0.1758 0.1758 1.9378 1.9378 1.9712 1.9712 2.0289 2.0289 3.4930 3.4930 6.1186 6.1186 6.3999 6.3999 7.2948 7.2948 8.4231 8.4231 9.2598 9.2598 9.5792 9.5792 9.6318 9.6318 k = 0.4531 0.5000-0.0000 ( 4240 PWs) bands (ev): -33.4165 -33.4165 -33.4134 -33.4134 -33.4103 -33.4103 -14.7290 -14.7290 -14.7214 -14.7214 -14.6934 -14.6934 -14.3812 -14.3812 -14.3747 -14.3747 -14.3203 -14.3203 -14.3171 -14.3171 -14.2342 -14.2342 -14.2275 -14.2275 0.1706 0.1706 0.1759 0.1759 1.9374 1.9374 1.9716 1.9716 2.0299 2.0299 3.5056 3.5056 6.1392 6.1392 6.3907 6.3907 7.2561 7.2561 8.4228 8.4228 9.2581 9.2581 9.5902 9.5902 9.6288 9.6288 k = 0.4688 0.5000-0.0000 ( 4244 PWs) bands (ev): -33.4154 -33.4154 -33.4134 -33.4134 -33.4114 -33.4114 -14.7284 -14.7284 -14.7215 -14.7215 -14.6945 -14.6945 -14.3804 -14.3804 -14.3749 -14.3749 -14.3210 -14.3210 -14.3171 -14.3171 -14.2344 -14.2344 -14.2270 -14.2270 0.1707 0.1707 0.1759 0.1759 1.9370 1.9370 1.9719 1.9719 2.0306 2.0306 3.5147 3.5147 6.1496 6.1496 6.3905 6.3905 7.2258 7.2258 8.4227 8.4227 9.2568 9.2568 9.5968 9.5968 9.6286 9.6286 k = 0.4844 0.5000-0.0000 ( 4252 PWs) bands (ev): -33.4144 -33.4144 -33.4134 -33.4134 -33.4124 -33.4124 -14.7281 -14.7281 -14.7215 -14.7215 -14.6951 -14.6951 -14.3800 -14.3800 -14.3751 -14.3751 -14.3214 -14.3214 -14.3171 -14.3171 -14.2345 -14.2345 -14.2267 -14.2267 0.1708 0.1708 0.1759 0.1759 1.9368 1.9368 1.9721 1.9721 2.0310 2.0310 3.5203 3.5203 6.1535 6.1535 6.3939 6.3939 7.2064 7.2064 8.4226 8.4226 9.2561 9.2561 9.5997 9.5997 9.6298 9.6298 k = 0.5000 0.5000-0.0000 ( 4260 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7280 -14.7280 -14.7215 -14.7215 -14.6954 -14.6954 -14.3798 -14.3798 -14.3751 -14.3751 -14.3215 -14.3215 -14.3172 -14.3172 -14.2345 -14.2345 -14.2266 -14.2266 0.1708 0.1708 0.1759 0.1759 1.9368 1.9368 1.9721 1.9721 2.0311 2.0311 3.5222 3.5222 6.1543 6.1543 6.3957 6.3957 7.1997 7.1997 8.4225 8.4225 9.2558 9.2558 9.6003 9.6003 9.6305 9.6305 k = 0.5000 0.5000-0.0000 ( 4260 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7280 -14.7280 -14.7215 -14.7215 -14.6954 -14.6954 -14.3798 -14.3798 -14.3751 -14.3751 -14.3215 -14.3215 -14.3172 -14.3172 -14.2345 -14.2345 -14.2266 -14.2266 0.1708 0.1708 0.1759 0.1759 1.9368 1.9368 1.9721 1.9721 2.0311 2.0311 3.5222 3.5222 6.1543 6.1543 6.3957 6.3957 7.1997 7.1997 8.4225 8.4225 9.2558 9.2558 9.6003 9.6003 9.6305 9.6305 k = 0.4891 0.4891-0.0000 ( 4250 PWs) bands (ev): -33.4144 -33.4144 -33.4134 -33.4134 -33.4124 -33.4124 -14.7281 -14.7281 -14.7215 -14.7215 -14.6951 -14.6951 -14.3800 -14.3800 -14.3750 -14.3750 -14.3214 -14.3214 -14.3171 -14.3171 -14.2345 -14.2345 -14.2267 -14.2267 0.1708 0.1708 0.1759 0.1759 1.9368 1.9368 1.9721 1.9721 2.0310 2.0310 3.5204 3.5204 6.1536 6.1536 6.3939 6.3939 7.2062 7.2062 8.4226 8.4226 9.2561 9.2561 9.5996 9.5996 9.6299 9.6299 k = 0.4783 0.4783-0.0000 ( 4242 PWs) bands (ev): -33.4155 -33.4155 -33.4133 -33.4133 -33.4114 -33.4114 -14.7284 -14.7284 -14.7215 -14.7215 -14.6945 -14.6945 -14.3804 -14.3804 -14.3749 -14.3749 -14.3211 -14.3211 -14.3170 -14.3170 -14.2344 -14.2344 -14.2270 -14.2270 0.1707 0.1707 0.1759 0.1759 1.9370 1.9370 1.9719 1.9719 2.0306 2.0306 3.5149 3.5149 6.1511 6.1511 6.3892 6.3892 7.2252 7.2252 8.4227 8.4227 9.2568 9.2568 9.5963 9.5963 9.6293 9.6293 k = 0.4674 0.4674-0.0000 ( 4246 PWs) bands (ev): -33.4165 -33.4165 -33.4132 -33.4132 -33.4105 -33.4105 -14.7289 -14.7289 -14.7216 -14.7216 -14.6934 -14.6934 -14.3812 -14.3812 -14.3748 -14.3748 -14.3208 -14.3208 -14.3167 -14.3167 -14.2343 -14.2343 -14.2273 -14.2273 0.1706 0.1706 0.1758 0.1758 1.9373 1.9373 1.9716 1.9716 2.0299 2.0299 3.5058 3.5058 6.1464 6.1464 6.3835 6.3835 7.2552 7.2552 8.4229 8.4229 9.2581 9.2581 9.5877 9.5877 9.6314 9.6314 k = 0.4565 0.4565-0.0000 ( 4246 PWs) bands (ev): -33.4176 -33.4176 -33.4130 -33.4130 -33.4096 -33.4096 -14.7296 -14.7296 -14.7217 -14.7217 -14.6920 -14.6920 -14.3822 -14.3822 -14.3745 -14.3745 -14.3208 -14.3208 -14.3158 -14.3158 -14.2344 -14.2344 -14.2277 -14.2277 0.1704 0.1704 0.1758 0.1758 1.9378 1.9378 1.9712 1.9712 2.0290 2.0290 3.4930 3.4930 6.1387 6.1387 6.3793 6.3793 7.2944 7.2944 8.4232 8.4232 9.2599 9.2599 9.5733 9.5733 9.6373 9.6373 k = 0.4457 0.4457-0.0000 ( 4246 PWs) bands (ev): -33.4187 -33.4187 -33.4128 -33.4128 -33.4087 -33.4087 -14.7304 -14.7304 -14.7219 -14.7219 -14.6902 -14.6902 -14.3834 -14.3834 -14.3742 -14.3742 -14.3213 -14.3213 -14.3144 -14.3144 -14.2349 -14.2349 -14.2279 -14.2279 0.1702 0.1702 0.1757 0.1757 1.9383 1.9383 1.9707 1.9707 2.0278 2.0278 3.4766 3.4766 6.1276 6.1276 6.3789 6.3789 7.3405 7.3405 8.4237 8.4237 9.2624 9.2624 9.5542 9.5542 9.6466 9.6466 k = 0.4348 0.4348-0.0000 ( 4240 PWs) bands (ev): -33.4198 -33.4198 -33.4125 -33.4125 -33.4078 -33.4078 -14.7313 -14.7313 -14.7221 -14.7221 -14.6881 -14.6881 -14.3849 -14.3849 -14.3737 -14.3737 -14.3221 -14.3221 -14.3124 -14.3124 -14.2358 -14.2358 -14.2277 -14.2277 0.1699 0.1699 0.1757 0.1757 1.9390 1.9390 1.9701 1.9701 2.0263 2.0263 3.4565 3.4565 6.1135 6.1135 6.3838 6.3838 7.3917 7.3917 8.4244 8.4244 9.2657 9.2657 9.5314 9.5314 9.6584 9.6584 k = 0.4239 0.4239-0.0000 ( 4242 PWs) bands (ev): -33.4210 -33.4210 -33.4122 -33.4122 -33.4070 -33.4070 -14.7324 -14.7324 -14.7223 -14.7223 -14.6857 -14.6857 -14.3865 -14.3865 -14.3732 -14.3732 -14.3230 -14.3230 -14.3101 -14.3101 -14.2372 -14.2372 -14.2272 -14.2272 0.1695 0.1695 0.1756 0.1756 1.9397 1.9397 1.9693 1.9693 2.0246 2.0246 3.4329 3.4329 6.0973 6.0973 6.3943 6.3943 7.4460 7.4460 8.4254 8.4254 9.2698 9.2698 9.5060 9.5060 9.6727 9.6727 k = 0.4130 0.4130-0.0000 ( 4240 PWs) bands (ev): -33.4221 -33.4221 -33.4119 -33.4119 -33.4062 -33.4062 -14.7335 -14.7335 -14.7226 -14.7226 -14.6830 -14.6830 -14.3883 -14.3883 -14.3726 -14.3726 -14.3242 -14.3242 -14.3076 -14.3076 -14.2390 -14.2390 -14.2263 -14.2263 0.1690 0.1690 0.1755 0.1755 1.9405 1.9405 1.9685 1.9685 2.0226 2.0226 3.4058 3.4058 6.0804 6.0804 6.4103 6.4103 7.5021 7.5021 8.4268 8.4268 9.2747 9.2747 9.4787 9.4787 9.6891 9.6891 k = 0.4022 0.4022-0.0000 ( 4240 PWs) bands (ev): -33.4233 -33.4233 -33.4115 -33.4115 -33.4054 -33.4054 -14.7347 -14.7347 -14.7230 -14.7230 -14.6800 -14.6800 -14.3901 -14.3901 -14.3719 -14.3719 -14.3255 -14.3255 -14.3048 -14.3048 -14.2411 -14.2411 -14.2252 -14.2252 0.1685 0.1685 0.1754 0.1754 1.9413 1.9413 1.9676 1.9676 2.0204 2.0204 3.3753 3.3753 6.0639 6.0639 6.4313 6.4313 7.5585 7.5585 8.4287 8.4287 9.2806 9.2806 9.4503 9.4503 9.7075 9.7075 k = 0.3913 0.3913-0.0000 ( 4246 PWs) bands (ev): -33.4245 -33.4245 -33.4111 -33.4111 -33.4047 -33.4047 -14.7360 -14.7360 -14.7234 -14.7234 -14.6770 -14.6770 -14.3920 -14.3920 -14.3712 -14.3712 -14.3269 -14.3269 -14.3018 -14.3018 -14.2435 -14.2435 -14.2240 -14.2240 0.1679 0.1679 0.1752 0.1752 1.9421 1.9421 1.9666 1.9666 2.0180 2.0180 3.3415 3.3415 6.0491 6.0491 6.4568 6.4568 7.6140 7.6140 8.4311 8.4311 9.2875 9.2875 9.4216 9.4216 9.7275 9.7275 k = 0.3804 0.3804-0.0000 ( 4242 PWs) bands (ev): -33.4257 -33.4257 -33.4106 -33.4106 -33.4040 -33.4040 -14.7373 -14.7373 -14.7239 -14.7239 -14.6736 -14.6736 -14.3940 -14.3940 -14.3704 -14.3704 -14.3284 -14.3284 -14.2986 -14.2986 -14.2460 -14.2460 -14.2227 -14.2227 0.1673 0.1673 0.1750 0.1750 1.9430 1.9430 1.9655 1.9655 2.0153 2.0153 3.3046 3.3046 6.0368 6.0368 6.4864 6.4864 7.6678 7.6678 8.4343 8.4343 9.2953 9.2953 9.3933 9.3933 9.7491 9.7491 k = 0.3696 0.3696-0.0000 ( 4246 PWs) bands (ev): -33.4269 -33.4269 -33.4101 -33.4101 -33.4033 -33.4033 -14.7387 -14.7387 -14.7245 -14.7245 -14.6701 -14.6701 -14.3960 -14.3960 -14.3696 -14.3696 -14.3300 -14.3300 -14.2953 -14.2953 -14.2488 -14.2488 -14.2213 -14.2213 0.1666 0.1666 0.1747 0.1747 1.9438 1.9438 1.9643 1.9643 2.0124 2.0124 3.2648 3.2648 6.0275 6.0275 6.5198 6.5198 7.7189 7.7189 8.4381 8.4381 9.3041 9.3041 9.3659 9.3659 9.7721 9.7721 k = 0.3587 0.3587-0.0000 ( 4246 PWs) bands (ev): -33.4282 -33.4282 -33.4096 -33.4096 -33.4026 -33.4026 -14.7400 -14.7400 -14.7252 -14.7252 -14.6665 -14.6665 -14.3981 -14.3981 -14.3687 -14.3687 -14.3316 -14.3316 -14.2919 -14.2919 -14.2515 -14.2515 -14.2198 -14.2198 0.1658 0.1658 0.1744 0.1744 1.9445 1.9445 1.9631 1.9631 2.0094 2.0094 3.2223 3.2223 6.0216 6.0216 6.5567 6.5567 7.7665 7.7665 8.4429 8.4429 9.3134 9.3134 9.3402 9.3402 9.7961 9.7961 k = 0.3478 0.3478-0.0000 ( 4248 PWs) bands (ev): -33.4294 -33.4294 -33.4090 -33.4090 -33.4020 -33.4020 -14.7414 -14.7414 -14.7260 -14.7260 -14.6628 -14.6628 -14.4001 -14.4001 -14.3678 -14.3678 -14.3333 -14.3333 -14.2883 -14.2883 -14.2544 -14.2544 -14.2182 -14.2182 0.1650 0.1650 0.1740 0.1740 1.9451 1.9451 1.9619 1.9619 2.0061 2.0061 3.1774 3.1774 6.0194 6.0194 6.5968 6.5968 7.8103 7.8103 8.4486 8.4486 9.3130 9.3130 9.3271 9.3271 9.8208 9.8208 k = 0.3370 0.3370-0.0000 ( 4244 PWs) bands (ev): -33.4306 -33.4306 -33.4085 -33.4085 -33.4013 -33.4013 -14.7428 -14.7428 -14.7269 -14.7269 -14.6590 -14.6590 -14.4022 -14.4022 -14.3669 -14.3669 -14.3350 -14.3350 -14.2846 -14.2846 -14.2573 -14.2573 -14.2166 -14.2166 0.1641 0.1641 0.1735 0.1735 1.9455 1.9455 1.9607 1.9607 2.0027 2.0027 3.1303 3.1303 6.0208 6.0208 6.6400 6.6400 7.8497 7.8497 8.4552 8.4552 9.2922 9.2922 9.3372 9.3372 9.8460 9.8460 k = 0.3261 0.3261-0.0000 ( 4242 PWs) bands (ev): -33.4318 -33.4318 -33.4079 -33.4079 -33.4007 -33.4007 -14.7442 -14.7442 -14.7279 -14.7279 -14.6551 -14.6551 -14.4043 -14.4043 -14.3660 -14.3660 -14.3367 -14.3367 -14.2808 -14.2808 -14.2602 -14.2602 -14.2149 -14.2149 0.1632 0.1632 0.1729 0.1729 1.9458 1.9458 1.9596 1.9596 1.9991 1.9991 3.0814 3.0814 6.0258 6.0258 6.6860 6.6860 7.8847 7.8847 8.4628 8.4628 9.2725 9.2725 9.3493 9.3493 9.8711 9.8711 k = 0.3152 0.3152-0.0000 ( 4238 PWs) bands (ev): -33.4330 -33.4330 -33.4072 -33.4072 -33.4002 -33.4002 -14.7457 -14.7457 -14.7290 -14.7290 -14.6512 -14.6512 -14.4064 -14.4064 -14.3651 -14.3651 -14.3384 -14.3384 -14.2769 -14.2769 -14.2630 -14.2630 -14.2132 -14.2132 0.1622 0.1622 0.1723 0.1723 1.9458 1.9458 1.9586 1.9586 1.9954 1.9954 3.0310 3.0310 6.0343 6.0343 6.7348 6.7348 7.9152 7.9152 8.4715 8.4715 9.2550 9.2550 9.3622 9.3622 9.8944 9.8951 k = 0.3043 0.3043-0.0000 ( 4232 PWs) bands (ev): -33.4342 -33.4342 -33.4066 -33.4066 -33.3996 -33.3996 -14.7472 -14.7472 -14.7302 -14.7302 -14.6472 -14.6472 -14.4085 -14.4085 -14.3642 -14.3642 -14.3400 -14.3400 -14.2730 -14.2730 -14.2656 -14.2656 -14.2115 -14.2115 0.1612 0.1612 0.1715 0.1715 1.9454 1.9454 1.9577 1.9577 1.9916 1.9916 2.9793 2.9793 6.0460 6.0460 6.7862 6.7862 7.9416 7.9416 8.4811 8.4811 9.2397 9.2397 9.3755 9.3755 9.8732 9.8732 k = 0.2935 0.2935-0.0000 ( 4228 PWs) bands (ev): -33.4354 -33.4354 -33.4059 -33.4059 -33.3991 -33.3991 -14.7486 -14.7486 -14.7316 -14.7316 -14.6434 -14.6434 -14.4106 -14.4106 -14.3633 -14.3633 -14.3416 -14.3416 -14.2700 -14.2700 -14.2673 -14.2673 -14.2098 -14.2098 0.1601 0.1601 0.1707 0.1707 1.9448 1.9448 1.9570 1.9570 1.9877 1.9877 2.9267 2.9267 6.0606 6.0606 6.8401 6.8401 7.9643 7.9643 8.4919 8.4919 9.2265 9.2265 9.3891 9.3891 9.8340 9.8340 k = 0.2826 0.2826-0.0000 ( 4230 PWs) bands (ev): -33.4366 -33.4366 -33.4052 -33.4052 -33.3986 -33.3986 -14.7500 -14.7500 -14.7330 -14.7330 -14.6396 -14.6396 -14.4127 -14.4127 -14.3625 -14.3625 -14.3432 -14.3432 -14.2713 -14.2713 -14.2643 -14.2643 -14.2081 -14.2081 0.1590 0.1590 0.1698 0.1698 1.9437 1.9437 1.9564 1.9564 1.9837 1.9837 2.8736 2.8736 6.0778 6.0778 6.8964 6.8964 7.9839 7.9839 8.5037 8.5037 9.2149 9.2149 9.4028 9.4028 9.7949 9.7949 k = 0.2717 0.2717-0.0000 ( 4230 PWs) bands (ev): -33.4378 -33.4378 -33.4045 -33.4045 -33.3982 -33.3982 -14.7515 -14.7515 -14.7345 -14.7345 -14.6359 -14.6359 -14.4148 -14.4148 -14.3617 -14.3617 -14.3447 -14.3447 -14.2735 -14.2735 -14.2603 -14.2603 -14.2064 -14.2064 0.1579 0.1579 0.1687 0.1687 1.9424 1.9424 1.9559 1.9559 1.9796 1.9796 2.8202 2.8202 6.0970 6.0970 6.9548 6.9548 8.0011 8.0011 8.5166 8.5166 9.2049 9.2049 9.4163 9.4163 9.7560 9.7560 k = 0.2609 0.2609-0.0000 ( 4230 PWs) bands (ev): -33.4390 -33.4390 -33.4038 -33.4038 -33.3977 -33.3977 -14.7529 -14.7529 -14.7362 -14.7362 -14.6323 -14.6323 -14.4168 -14.4168 -14.3610 -14.3610 -14.3461 -14.3461 -14.2756 -14.2756 -14.2561 -14.2561 -14.2048 -14.2048 0.1568 0.1568 0.1676 0.1676 1.9409 1.9409 1.9556 1.9556 1.9755 1.9755 2.7667 2.7667 6.1180 6.1180 7.0154 7.0154 8.0167 8.0167 8.5307 8.5307 9.1958 9.1958 9.4295 9.4295 9.7178 9.7178 k = 0.2500 0.2500-0.0000 ( 4246 PWs) bands (ev): -33.4401 -33.4401 -33.4032 -33.4032 -33.3973 -33.3973 -14.7543 -14.7543 -14.7379 -14.7379 -14.6289 -14.6289 -14.4189 -14.4189 -14.3605 -14.3605 -14.3475 -14.3475 -14.2776 -14.2776 -14.2518 -14.2518 -14.2032 -14.2032 0.1557 0.1557 0.1663 0.1663 1.9391 1.9391 1.9551 1.9551 1.9715 1.9715 2.7136 2.7136 6.1402 6.1402 7.0779 7.0779 8.0316 8.0316 8.5461 8.5461 9.1875 9.1875 9.4421 9.4421 9.6803 9.6803 k = 0.2391 0.2391-0.0000 ( 4238 PWs) bands (ev): -33.4413 -33.4413 -33.4025 -33.4025 -33.3969 -33.3969 -14.7557 -14.7557 -14.7397 -14.7397 -14.6256 -14.6256 -14.4209 -14.4209 -14.3600 -14.3600 -14.3487 -14.3487 -14.2793 -14.2793 -14.2475 -14.2475 -14.2016 -14.2016 0.1545 0.1545 0.1650 0.1650 1.9373 1.9373 1.9546 1.9546 1.9675 1.9675 2.6610 2.6610 6.1632 6.1632 7.1424 7.1424 8.0466 8.0466 8.5629 8.5629 9.1795 9.1795 9.4538 9.4538 9.6437 9.6437 k = 0.2283 0.2283-0.0000 ( 4238 PWs) bands (ev): -33.4424 -33.4424 -33.4018 -33.4018 -33.3965 -33.3965 -14.7570 -14.7570 -14.7416 -14.7416 -14.6225 -14.6225 -14.4229 -14.4229 -14.3596 -14.3596 -14.3499 -14.3499 -14.2808 -14.2808 -14.2432 -14.2432 -14.2000 -14.2000 0.1534 0.1534 0.1636 0.1636 1.9353 1.9353 1.9538 1.9538 1.9637 1.9637 2.6092 2.6092 6.1865 6.1865 7.2085 7.2085 8.0626 8.0626 8.5811 8.5811 9.1717 9.1717 9.4644 9.4644 9.6081 9.6081 k = 0.2174 0.2174-0.0000 ( 4228 PWs) bands (ev): -33.4434 -33.4434 -33.4011 -33.4011 -33.3962 -33.3962 -14.7583 -14.7583 -14.7435 -14.7435 -14.6196 -14.6196 -14.4248 -14.4248 -14.3593 -14.3593 -14.3509 -14.3509 -14.2820 -14.2820 -14.2388 -14.2388 -14.1985 -14.1985 0.1522 0.1522 0.1621 0.1621 1.9333 1.9333 1.9526 1.9526 1.9604 1.9604 2.5585 2.5585 6.2095 6.2095 7.2763 7.2763 8.0803 8.0803 8.6007 8.6007 9.1639 9.1639 9.4736 9.4736 9.5736 9.5736 k = 0.2065 0.2065-0.0000 ( 4222 PWs) bands (ev): -33.4444 -33.4444 -33.4004 -33.4004 -33.3958 -33.3958 -14.7596 -14.7596 -14.7455 -14.7455 -14.6168 -14.6168 -14.4267 -14.4267 -14.3591 -14.3591 -14.3518 -14.3518 -14.2831 -14.2831 -14.2344 -14.2344 -14.1970 -14.1970 0.1511 0.1511 0.1606 0.1606 1.9312 1.9312 1.9505 1.9505 1.9579 1.9579 2.5090 2.5090 6.2319 6.2319 7.3456 7.3456 8.1003 8.1003 8.6218 8.6218 9.1560 9.1560 9.4810 9.4810 9.5404 9.5404 k = 0.1957 0.1957-0.0000 ( 4218 PWs) bands (ev): -33.4455 -33.4455 -33.3997 -33.3997 -33.3955 -33.3955 -14.7609 -14.7609 -14.7476 -14.7476 -14.6143 -14.6143 -14.4285 -14.4285 -14.3590 -14.3590 -14.3526 -14.3526 -14.2838 -14.2838 -14.2301 -14.2301 -14.1956 -14.1956 0.1500 0.1500 0.1590 0.1590 1.9291 1.9291 1.9475 1.9475 1.9563 1.9563 2.4610 2.4610 6.2533 6.2533 7.4163 7.4163 8.1233 8.1233 8.6444 8.6444 9.1480 9.1480 9.4857 9.4857 9.5091 9.5091 k = 0.1848 0.1848-0.0000 ( 4224 PWs) bands (ev): -33.4464 -33.4464 -33.3991 -33.3991 -33.3952 -33.3952 -14.7621 -14.7621 -14.7497 -14.7497 -14.6120 -14.6120 -14.4302 -14.4302 -14.3590 -14.3590 -14.3533 -14.3533 -14.2845 -14.2845 -14.2259 -14.2259 -14.1942 -14.1942 0.1488 0.1488 0.1574 0.1574 1.9270 1.9270 1.9440 1.9440 1.9553 1.9553 2.4147 2.4147 6.2732 6.2732 7.4882 7.4882 8.1497 8.1497 8.6685 8.6685 9.1398 9.1398 9.4749 9.4749 9.4922 9.4922 k = 0.1739 0.1739-0.0000 ( 4216 PWs) bands (ev): -33.4474 -33.4474 -33.3984 -33.3984 -33.3949 -33.3949 -14.7632 -14.7632 -14.7517 -14.7517 -14.6099 -14.6099 -14.4318 -14.4318 -14.3590 -14.3590 -14.3540 -14.3540 -14.2849 -14.2849 -14.2217 -14.2217 -14.1929 -14.1929 0.1478 0.1478 0.1557 0.1557 1.9249 1.9249 1.9403 1.9403 1.9544 1.9544 2.3701 2.3701 6.2915 6.2915 7.5614 7.5614 8.1798 8.1798 8.6940 8.6940 9.1316 9.1316 9.4468 9.4468 9.4914 9.4914 k = 0.1630 0.1630-0.0000 ( 4210 PWs) bands (ev): -33.4482 -33.4482 -33.3978 -33.3978 -33.3947 -33.3947 -14.7643 -14.7643 -14.7538 -14.7538 -14.6079 -14.6079 -14.4333 -14.4333 -14.3591 -14.3591 -14.3546 -14.3546 -14.2851 -14.2851 -14.2175 -14.2175 -14.1916 -14.1916 0.1467 0.1467 0.1540 0.1540 1.9228 1.9228 1.9366 1.9366 1.9537 1.9537 2.3276 2.3276 6.3079 6.3079 7.6357 7.6357 8.2136 8.2136 8.7208 8.7208 9.1234 9.1234 9.4191 9.4191 9.4886 9.4886 k = 0.1522 0.1522-0.0000 ( 4212 PWs) bands (ev): -33.4491 -33.4491 -33.3972 -33.3972 -33.3944 -33.3944 -14.7654 -14.7654 -14.7558 -14.7558 -14.6062 -14.6062 -14.4348 -14.4348 -14.3592 -14.3592 -14.3552 -14.3552 -14.2853 -14.2853 -14.2135 -14.2135 -14.1905 -14.1905 0.1457 0.1457 0.1524 0.1524 1.9208 1.9208 1.9330 1.9330 1.9530 1.9530 2.2872 2.2872 6.3223 6.3223 7.7109 7.7109 8.2511 8.2511 8.7487 8.7487 9.1155 9.1155 9.3928 9.3928 9.4823 9.4823 k = 0.1413 0.1413-0.0000 ( 4214 PWs) bands (ev): -33.4499 -33.4499 -33.3967 -33.3967 -33.3942 -33.3942 -14.7664 -14.7664 -14.7579 -14.7579 -14.6047 -14.6047 -14.4361 -14.4361 -14.3593 -14.3593 -14.3558 -14.3558 -14.2853 -14.2853 -14.2097 -14.2097 -14.1894 -14.1894 0.1447 0.1447 0.1507 0.1507 1.9188 1.9188 1.9295 1.9295 1.9523 1.9523 2.2491 2.2491 6.3347 6.3347 7.7871 7.7871 8.2921 8.2921 8.7777 8.7777 9.1081 9.1081 9.3681 9.3681 9.4721 9.4721 k = 0.1304 0.1304-0.0000 ( 4222 PWs) bands (ev): -33.4507 -33.4507 -33.3961 -33.3961 -33.3940 -33.3940 -14.7674 -14.7674 -14.7598 -14.7598 -14.6034 -14.6034 -14.4374 -14.4374 -14.3594 -14.3594 -14.3563 -14.3563 -14.2852 -14.2852 -14.2060 -14.2060 -14.1884 -14.1884 0.1438 0.1438 0.1491 0.1491 1.9169 1.9169 1.9262 1.9262 1.9517 1.9517 2.2133 2.2133 6.3451 6.3451 7.8641 7.8641 8.3361 8.3361 8.8073 8.8073 9.1013 9.1013 9.3450 9.3450 9.4575 9.4575 k = 0.1196 0.1196-0.0000 ( 4226 PWs) bands (ev): -33.4513 -33.4513 -33.3956 -33.3956 -33.3938 -33.3938 -14.7683 -14.7683 -14.7617 -14.7617 -14.6022 -14.6022 -14.4385 -14.4385 -14.3595 -14.3595 -14.3568 -14.3568 -14.2850 -14.2850 -14.2025 -14.2025 -14.1874 -14.1874 0.1429 0.1429 0.1475 0.1475 1.9151 1.9151 1.9230 1.9230 1.9511 1.9511 2.1801 2.1801 6.3536 6.3536 7.9417 7.9417 8.3828 8.3828 8.8373 8.8373 9.0956 9.0956 9.3236 9.3236 9.4380 9.4380 k = 0.1087 0.1087-0.0000 ( 4222 PWs) bands (ev): -33.4520 -33.4520 -33.3952 -33.3952 -33.3937 -33.3937 -14.7691 -14.7691 -14.7635 -14.7635 -14.6012 -14.6012 -14.4395 -14.4395 -14.3596 -14.3596 -14.3573 -14.3573 -14.2848 -14.2848 -14.1992 -14.1992 -14.1866 -14.1866 0.1421 0.1421 0.1461 0.1461 1.9134 1.9134 1.9200 1.9200 1.9504 1.9504 2.1494 2.1494 6.3604 6.3604 8.0199 8.0199 8.4314 8.4314 8.8669 8.8669 9.0915 9.0915 9.3039 9.3039 9.4136 9.4136 k = 0.0978 0.0978-0.0000 ( 4234 PWs) bands (ev): -33.4526 -33.4526 -33.3948 -33.3948 -33.3935 -33.3935 -14.7698 -14.7698 -14.7652 -14.7652 -14.6003 -14.6003 -14.4404 -14.4404 -14.3597 -14.3597 -14.3578 -14.3578 -14.2846 -14.2846 -14.1961 -14.1961 -14.1858 -14.1858 0.1414 0.1414 0.1446 0.1446 1.9118 1.9118 1.9172 1.9172 1.9499 1.9499 2.1215 2.1215 6.3657 6.3657 8.0986 8.0986 8.4810 8.4810 8.8953 8.8953 9.0896 9.0896 9.2860 9.2860 9.3844 9.3844 k = 0.0870 0.0870-0.0000 ( 4235 PWs) bands (ev): -33.4531 -33.4531 -33.3944 -33.3944 -33.3934 -33.3934 -14.7705 -14.7705 -14.7668 -14.7668 -14.5996 -14.5996 -14.4412 -14.4412 -14.3597 -14.3597 -14.3582 -14.3582 -14.2843 -14.2843 -14.1933 -14.1933 -14.1851 -14.1851 0.1407 0.1407 0.1433 0.1433 1.9103 1.9103 1.9147 1.9147 1.9493 1.9493 2.0963 2.0963 6.3697 6.3697 8.1774 8.1774 8.5306 8.5306 8.9209 8.9209 9.0909 9.0909 9.2700 9.2700 9.3512 9.3512 k = 0.0761 0.0761-0.0000 ( 4237 PWs) bands (ev): -33.4536 -33.4536 -33.3940 -33.3940 -33.3933 -33.3933 -14.7711 -14.7711 -14.7682 -14.7682 -14.5990 -14.5990 -14.4419 -14.4419 -14.3598 -14.3598 -14.3585 -14.3585 -14.2840 -14.2840 -14.1908 -14.1908 -14.1844 -14.1844 0.1401 0.1401 0.1421 0.1421 1.9090 1.9090 1.9123 1.9123 1.9488 1.9488 2.0740 2.0740 6.3726 6.3726 8.2562 8.2562 8.5793 8.5793 8.9417 8.9417 9.0967 9.0967 9.2558 9.2558 9.3154 9.3154 k = 0.0652 0.0652-0.0000 ( 4225 PWs) bands (ev): -33.4540 -33.4540 -33.3937 -33.3937 -33.3931 -33.3931 -14.7715 -14.7715 -14.7694 -14.7694 -14.5985 -14.5985 -14.4424 -14.4424 -14.3597 -14.3597 -14.3588 -14.3588 -14.2837 -14.2837 -14.1887 -14.1887 -14.1839 -14.1839 0.1395 0.1395 0.1411 0.1411 1.9078 1.9078 1.9103 1.9103 1.9483 1.9483 2.0546 2.0546 6.3747 6.3747 8.3348 8.3348 8.6255 8.6255 8.9550 8.9550 9.1083 9.1083 9.2436 9.2436 9.2792 9.2792 k = 0.0543 0.0543-0.0000 ( 4227 PWs) bands (ev): -33.4544 -33.4544 -33.3935 -33.3935 -33.3930 -33.3930 -14.7720 -14.7720 -14.7705 -14.7705 -14.5981 -14.5981 -14.4429 -14.4429 -14.3598 -14.3598 -14.3591 -14.3591 -14.2834 -14.2834 -14.1868 -14.1868 -14.1834 -14.1834 0.1391 0.1391 0.1402 0.1402 1.9067 1.9067 1.9085 1.9085 1.9479 1.9479 2.0381 2.0381 6.3760 6.3760 8.4127 8.4127 8.6680 8.6680 8.9578 8.9578 9.1254 9.1254 9.2330 9.2330 9.2460 9.2460 k = 0.0435 0.0435-0.0000 ( 4225 PWs) bands (ev): -33.4547 -33.4547 -33.3932 -33.3932 -33.3930 -33.3930 -14.7723 -14.7723 -14.7714 -14.7714 -14.5978 -14.5978 -14.4433 -14.4433 -14.3597 -14.3597 -14.3593 -14.3593 -14.2832 -14.2832 -14.1852 -14.1852 -14.1830 -14.1830 0.1387 0.1387 0.1394 0.1394 1.9059 1.9059 1.9070 1.9070 1.9476 1.9476 2.0246 2.0246 6.3769 6.3769 8.4896 8.4896 8.7050 8.7050 8.9479 8.9479 9.1464 9.1464 9.2177 9.2177 9.2265 9.2265 k = 0.0326 0.0326-0.0000 ( 4227 PWs) bands (ev): -33.4549 -33.4549 -33.3931 -33.3931 -33.3929 -33.3929 -14.7726 -14.7726 -14.7721 -14.7721 -14.5976 -14.5976 -14.4436 -14.4436 -14.3598 -14.3598 -14.3595 -14.3595 -14.2830 -14.2830 -14.1840 -14.1840 -14.1828 -14.1828 0.1384 0.1384 0.1388 0.1388 1.9052 1.9052 1.9059 1.9059 1.9473 1.9473 2.0141 2.0141 6.3774 6.3774 8.5649 8.5649 8.7352 8.7352 8.9232 8.9232 9.1681 9.1681 9.2017 9.2017 9.2206 9.2206 k = 0.0217 0.0217-0.0000 ( 4217 PWs) bands (ev): -33.4551 -33.4551 -33.3929 -33.3929 -33.3929 -33.3929 -14.7728 -14.7728 -14.7726 -14.7726 -14.5974 -14.5974 -14.4437 -14.4437 -14.3597 -14.3597 -14.3596 -14.3596 -14.2829 -14.2829 -14.1831 -14.1831 -14.1825 -14.1825 0.1382 0.1382 0.1384 0.1384 1.9047 1.9047 1.9050 1.9050 1.9471 1.9471 2.0066 2.0066 6.3777 6.3777 8.6381 8.6381 8.7574 8.7574 8.8842 8.8842 9.1860 9.1860 9.1959 9.1959 9.2192 9.2192 k = 0.0109 0.0109-0.0000 ( 4181 PWs) bands (ev): -33.4552 -33.4552 -33.3928 -33.3928 -33.3928 -33.3928 -14.7728 -14.7728 -14.7727 -14.7727 -14.5972 -14.5972 -14.4438 -14.4438 -14.3596 -14.3596 -14.3596 -14.3596 -14.2827 -14.2827 -14.1825 -14.1825 -14.1824 -14.1824 0.1381 0.1381 0.1381 0.1381 1.9044 1.9044 1.9045 1.9045 1.9469 1.9469 2.0021 2.0021 6.3779 6.3779 8.7081 8.7081 8.7710 8.7710 8.8333 8.8333 9.1952 9.1952 9.1964 9.1964 9.2231 9.2231 k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -33.4552 -33.4552 -33.3928 -33.3928 -33.3928 -33.3928 -14.7728 -14.7728 -14.7728 -14.7728 -14.5972 -14.5972 -14.4438 -14.4438 -14.3596 -14.3596 -14.3596 -14.3596 -14.2826 -14.2826 -14.1823 -14.1823 -14.1823 -14.1823 0.1380 0.1380 0.1380 0.1380 1.9043 1.9043 1.9043 1.9043 1.9469 1.9469 2.0006 2.0006 6.3779 6.3779 8.7719 8.7719 8.7755 8.7755 8.7755 8.7755 9.1974 9.1974 9.1974 9.1974 9.2261 9.2261 k = 0.0000 0.0000 0.0000 ( 4169 PWs) bands (ev): -33.4552 -33.4552 -33.3928 -33.3928 -33.3928 -33.3928 -14.7728 -14.7728 -14.7728 -14.7728 -14.5972 -14.5972 -14.4438 -14.4438 -14.3596 -14.3596 -14.3596 -14.3596 -14.2826 -14.2826 -14.1823 -14.1823 -14.1823 -14.1823 0.1380 0.1380 0.1380 0.1380 1.9043 1.9043 1.9043 1.9043 1.9469 1.9469 2.0006 2.0006 6.3779 6.3779 8.7719 8.7719 8.7755 8.7755 8.7755 8.7755 9.1974 9.1974 9.1974 9.1974 9.2261 9.2261 k = 0.0089 0.0089 0.0089 ( 4175 PWs) bands (ev): -33.4552 -33.4552 -33.3928 -33.3928 -33.3928 -33.3928 -14.7728 -14.7728 -14.7727 -14.7727 -14.5972 -14.5972 -14.4437 -14.4437 -14.3596 -14.3596 -14.3596 -14.3596 -14.2826 -14.2826 -14.1825 -14.1825 -14.1824 -14.1824 0.1381 0.1381 0.1381 0.1381 1.9044 1.9044 1.9045 1.9045 1.9469 1.9469 2.0021 2.0021 6.3779 6.3779 8.7086 8.7086 8.7690 8.7690 8.8347 8.8347 9.1956 9.1956 9.1960 9.1960 9.2231 9.2231 k = 0.0179 0.0179 0.0179 ( 4217 PWs) bands (ev): -33.4551 -33.4551 -33.3929 -33.3929 -33.3929 -33.3929 -14.7728 -14.7728 -14.7726 -14.7726 -14.5974 -14.5974 -14.4437 -14.4437 -14.3597 -14.3597 -14.3597 -14.3597 -14.2829 -14.2829 -14.1831 -14.1831 -14.1825 -14.1825 0.1382 0.1382 0.1383 0.1383 1.9047 1.9047 1.9050 1.9050 1.9471 1.9471 2.0066 2.0066 6.3777 6.3777 8.6411 8.6411 8.7499 8.7499 8.8881 8.8881 9.1893 9.1893 9.1914 9.1914 9.2202 9.2202 k = 0.0268 0.0268 0.0268 ( 4217 PWs) bands (ev): -33.4549 -33.4549 -33.3930 -33.3930 -33.3930 -33.3930 -14.7726 -14.7726 -14.7721 -14.7721 -14.5975 -14.5975 -14.4435 -14.4435 -14.3596 -14.3596 -14.3596 -14.3596 -14.2830 -14.2830 -14.1840 -14.1840 -14.1827 -14.1827 0.1384 0.1384 0.1388 0.1388 1.9053 1.9053 1.9058 1.9058 1.9473 1.9473 2.0142 2.0142 6.3775 6.3775 8.5721 8.5721 8.7198 8.7198 8.9286 8.9286 9.1795 9.1795 9.1877 9.1877 9.2246 9.2246 k = 0.0357 0.0357 0.0357 ( 4223 PWs) bands (ev): -33.4547 -33.4547 -33.3931 -33.3931 -33.3931 -33.3931 -14.7723 -14.7723 -14.7714 -14.7714 -14.5978 -14.5978 -14.4432 -14.4432 -14.3596 -14.3596 -14.3595 -14.3595 -14.2832 -14.2832 -14.1853 -14.1853 -14.1829 -14.1829 0.1387 0.1387 0.1394 0.1394 1.9060 1.9060 1.9070 1.9070 1.9476 1.9476 2.0248 2.0248 6.3771 6.3771 8.5025 8.5025 8.6809 8.6809 8.9479 8.9479 9.1768 9.1768 9.1860 9.1860 9.2363 9.2363 k = 0.0446 0.0446 0.0446 ( 4223 PWs) bands (ev): -33.4544 -33.4544 -33.3933 -33.3933 -33.3933 -33.3933 -14.7719 -14.7719 -14.7705 -14.7705 -14.5981 -14.5981 -14.4428 -14.4428 -14.3595 -14.3595 -14.3593 -14.3593 -14.2834 -14.2834 -14.1870 -14.1870 -14.1833 -14.1833 0.1391 0.1391 0.1402 0.1402 1.9069 1.9069 1.9085 1.9085 1.9479 1.9479 2.0385 2.0385 6.3766 6.3766 8.4327 8.4327 8.6353 8.6353 8.9417 8.9417 9.1853 9.1853 9.1870 9.1870 9.2565 9.2565 k = 0.0536 0.0536 0.0536 ( 4238 PWs) bands (ev): -33.4540 -33.4540 -33.3934 -33.3934 -33.3934 -33.3934 -14.7715 -14.7715 -14.7695 -14.7695 -14.5985 -14.5985 -14.4424 -14.4424 -14.3595 -14.3595 -14.3591 -14.3591 -14.2837 -14.2837 -14.1889 -14.1889 -14.1837 -14.1837 0.1396 0.1396 0.1411 0.1411 1.9080 1.9080 1.9103 1.9103 1.9483 1.9483 2.0552 2.0552 6.3758 6.3758 8.3632 8.3632 8.5847 8.5847 8.9155 8.9155 9.1906 9.1907 9.1991 9.1991 9.2861 9.2861 k = 0.0625 0.0625 0.0625 ( 4238 PWs) bands (ev): -33.4536 -33.4536 -33.3937 -33.3937 -33.3937 -33.3937 -14.7709 -14.7709 -14.7683 -14.7683 -14.5990 -14.5990 -14.4418 -14.4418 -14.3595 -14.3595 -14.3589 -14.3589 -14.2839 -14.2839 -14.1912 -14.1912 -14.1842 -14.1842 0.1402 0.1402 0.1421 0.1421 1.9093 1.9093 1.9124 1.9124 1.9487 1.9487 2.0748 2.0748 6.3746 6.3746 8.2943 8.2943 8.5307 8.5307 8.8773 8.8773 9.1968 9.1968 9.2132 9.2132 9.3220 9.3220 k = 0.0714 0.0714 0.0714 ( 4241 PWs) bands (ev): -33.4531 -33.4531 -33.3939 -33.3939 -33.3939 -33.3939 -14.7704 -14.7704 -14.7670 -14.7670 -14.5997 -14.5997 -14.4411 -14.4411 -14.3595 -14.3595 -14.3585 -14.3585 -14.2842 -14.2842 -14.1939 -14.1939 -14.1847 -14.1847 0.1408 0.1408 0.1433 0.1433 1.9107 1.9107 1.9147 1.9147 1.9492 1.9492 2.0973 2.0973 6.3731 6.3731 8.2262 8.2262 8.4745 8.4745 8.8325 8.8325 9.2050 9.2051 9.2269 9.2269 9.3594 9.3594 k = 0.0804 0.0804 0.0804 ( 4241 PWs) bands (ev): -33.4526 -33.4526 -33.3942 -33.3942 -33.3942 -33.3942 -14.7697 -14.7697 -14.7654 -14.7654 -14.6004 -14.6004 -14.4403 -14.4403 -14.3595 -14.3595 -14.3581 -14.3581 -14.2844 -14.2844 -14.1968 -14.1968 -14.1853 -14.1853 0.1415 0.1415 0.1446 0.1446 1.9122 1.9122 1.9174 1.9174 1.9496 1.9496 2.1227 2.1227 6.3710 6.3710 8.1593 8.1593 8.4169 8.4169 8.7841 8.7841 9.2152 9.2152 9.2406 9.2406 9.3947 9.3947 k = 0.0893 0.0893 0.0893 ( 4238 PWs) bands (ev): -33.4520 -33.4520 -33.3944 -33.3944 -33.3944 -33.3944 -14.7690 -14.7690 -14.7637 -14.7637 -14.6013 -14.6013 -14.4393 -14.4393 -14.3595 -14.3595 -14.3577 -14.3577 -14.2846 -14.2846 -14.2000 -14.2000 -14.1859 -14.1859 0.1422 0.1422 0.1460 0.1460 1.9139 1.9139 1.9202 1.9202 1.9501 1.9501 2.1510 2.1510 6.3684 6.3684 8.0937 8.0937 8.3587 8.3587 8.7336 8.7336 9.2269 9.2269 9.2545 9.2545 9.4263 9.4263 k = 0.0982 0.0982 0.0982 ( 4223 PWs) bands (ev): -33.4513 -33.4513 -33.3948 -33.3948 -33.3948 -33.3948 -14.7682 -14.7682 -14.7619 -14.7619 -14.6023 -14.6023 -14.4382 -14.4382 -14.3596 -14.3596 -14.3571 -14.3571 -14.2847 -14.2847 -14.2034 -14.2034 -14.1865 -14.1865 0.1431 0.1431 0.1476 0.1476 1.9157 1.9157 1.9233 1.9233 1.9506 1.9506 2.1819 2.1819 6.3650 6.3650 8.0297 8.0297 8.3004 8.3004 8.6823 8.6823 9.2401 9.2401 9.2690 9.2690 9.4536 9.4536 k = 0.1071 0.1071 0.1071 ( 4229 PWs) bands (ev): -33.4506 -33.4506 -33.3951 -33.3951 -33.3951 -33.3951 -14.7674 -14.7674 -14.7600 -14.7600 -14.6036 -14.6036 -14.4370 -14.4370 -14.3598 -14.3598 -14.3565 -14.3565 -14.2847 -14.2847 -14.2072 -14.2072 -14.1872 -14.1872 0.1439 0.1439 0.1491 0.1491 1.9176 1.9176 1.9266 1.9266 1.9511 1.9511 2.2154 2.2154 6.3608 6.3608 7.9674 7.9674 8.2424 8.2424 8.6309 8.6309 9.2543 9.2543 9.2839 9.2839 9.4766 9.4766 k = 0.1161 0.1161 0.1161 ( 4220 PWs) bands (ev): -33.4498 -33.4498 -33.3955 -33.3955 -33.3955 -33.3955 -14.7666 -14.7666 -14.7580 -14.7580 -14.6050 -14.6050 -14.4356 -14.4356 -14.3600 -14.3600 -14.3557 -14.3557 -14.2846 -14.2846 -14.2110 -14.2110 -14.1880 -14.1880 0.1448 0.1448 0.1508 0.1508 1.9196 1.9196 1.9301 1.9301 1.9517 1.9517 2.2515 2.2515 6.3558 6.3558 7.9070 7.9070 8.1851 8.1851 8.5802 8.5802 9.2695 9.2695 9.2993 9.2993 9.4961 9.4961 k = 0.1250 0.1250 0.1250 ( 4214 PWs) bands (ev): -33.4490 -33.4490 -33.3959 -33.3959 -33.3959 -33.3959 -14.7658 -14.7658 -14.7560 -14.7560 -14.6066 -14.6066 -14.4341 -14.4341 -14.3604 -14.3604 -14.3550 -14.3550 -14.2845 -14.2845 -14.2150 -14.2150 -14.1887 -14.1887 0.1458 0.1458 0.1524 0.1524 1.9216 1.9216 1.9337 1.9337 1.9522 1.9522 2.2900 2.2900 6.3497 6.3497 7.8486 7.8486 8.1288 8.1288 8.5308 8.5308 9.2853 9.2853 9.3148 9.3148 9.5123 9.5123 k = 0.1339 0.1339 0.1339 ( 4214 PWs) bands (ev): -33.4482 -33.4482 -33.3963 -33.3963 -33.3963 -33.3963 -14.7651 -14.7651 -14.7539 -14.7539 -14.6084 -14.6084 -14.4324 -14.4324 -14.3609 -14.3609 -14.3541 -14.3541 -14.2842 -14.2842 -14.2192 -14.2192 -14.1895 -14.1895 0.1467 0.1467 0.1541 0.1541 1.9237 1.9237 1.9374 1.9374 1.9526 1.9526 2.3309 2.3309 6.3426 6.3426 7.7925 7.7925 8.0737 8.0737 8.4831 8.4831 9.3014 9.3014 9.3303 9.3303 9.5259 9.5259 k = 0.1429 0.1429 0.1429 ( 4220 PWs) bands (ev): -33.4473 -33.4473 -33.3967 -33.3967 -33.3967 -33.3967 -14.7643 -14.7643 -14.7517 -14.7517 -14.6105 -14.6105 -14.4306 -14.4306 -14.3615 -14.3615 -14.3531 -14.3531 -14.2837 -14.2837 -14.2236 -14.2236 -14.1903 -14.1903 0.1477 0.1477 0.1558 0.1558 1.9258 1.9258 1.9412 1.9412 1.9531 1.9531 2.3738 2.3738 6.3345 6.3345 7.7386 7.7386 8.0200 8.0200 8.4375 8.4375 9.3175 9.3175 9.3455 9.3455 9.5371 9.5371 k = 0.1518 0.1518 0.1518 ( 4217 PWs) bands (ev): -33.4464 -33.4464 -33.3972 -33.3972 -33.3972 -33.3972 -14.7636 -14.7636 -14.7496 -14.7496 -14.6128 -14.6128 -14.4286 -14.4286 -14.3623 -14.3623 -14.3521 -14.3521 -14.2830 -14.2830 -14.2278 -14.2278 -14.1911 -14.1911 0.1487 0.1487 0.1575 0.1575 1.9279 1.9279 1.9451 1.9451 1.9535 1.9535 2.4189 2.4189 6.3252 6.3252 7.6871 7.6871 7.9681 7.9681 8.3946 8.3946 9.3333 9.3333 9.3600 9.3600 9.5462 9.5462 k = 0.1607 0.1607 0.1607 ( 4217 PWs) bands (ev): -33.4454 -33.4454 -33.3976 -33.3976 -33.3976 -33.3976 -14.7629 -14.7629 -14.7475 -14.7475 -14.6153 -14.6153 -14.4264 -14.4264 -14.3633 -14.3633 -14.3509 -14.3509 -14.2822 -14.2822 -14.2322 -14.2322 -14.1919 -14.1919 0.1497 0.1497 0.1592 0.1592 1.9299 1.9299 1.9490 1.9490 1.9540 1.9540 2.4657 2.4657 6.3150 6.3150 7.6381 7.6381 7.9180 7.9180 8.3544 8.3544 9.3483 9.3483 9.3733 9.3733 9.5534 9.5534 k = 0.1696 0.1696 0.1696 ( 4223 PWs) bands (ev): -33.4444 -33.4444 -33.3981 -33.3981 -33.3981 -33.3981 -14.7623 -14.7623 -14.7454 -14.7454 -14.6181 -14.6181 -14.4242 -14.4242 -14.3645 -14.3645 -14.3496 -14.3496 -14.2812 -14.2812 -14.2365 -14.2365 -14.1927 -14.1927 0.1506 0.1506 0.1608 0.1608 1.9319 1.9319 1.9529 1.9529 1.9545 1.9545 2.5143 2.5143 6.3038 6.3038 7.5916 7.5916 7.8698 7.8698 8.3174 8.3174 9.3619 9.3619 9.3849 9.3849 9.5588 9.5588 k = 0.1786 0.1786 0.1786 ( 4223 PWs) bands (ev): -33.4433 -33.4433 -33.3986 -33.3986 -33.3986 -33.3986 -14.7617 -14.7617 -14.7433 -14.7433 -14.6211 -14.6211 -14.4217 -14.4217 -14.3658 -14.3658 -14.3482 -14.3482 -14.2799 -14.2799 -14.2408 -14.2408 -14.1934 -14.1934 0.1516 0.1516 0.1624 0.1624 1.9337 1.9337 1.9550 1.9550 1.9568 1.9568 2.5643 2.5643 6.2919 6.2919 7.5477 7.5477 7.8238 7.8238 8.2837 8.2837 9.3735 9.3735 9.3941 9.3941 9.5625 9.5625 k = 0.1875 0.1875 0.1875 ( 4223 PWs) bands (ev): -33.4422 -33.4422 -33.3992 -33.3992 -33.3992 -33.3992 -14.7612 -14.7612 -14.7413 -14.7413 -14.6244 -14.6244 -14.4191 -14.4191 -14.3673 -14.3673 -14.3466 -14.3466 -14.2784 -14.2784 -14.2450 -14.2450 -14.1941 -14.1941 0.1526 0.1526 0.1639 0.1639 1.9353 1.9353 1.9556 1.9556 1.9606 1.9606 2.6156 2.6156 6.2795 6.2795 7.5064 7.5064 7.7800 7.7800 8.2535 8.2535 9.3825 9.3825 9.4002 9.4002 9.5644 9.5644 k = 0.1964 0.1964 0.1964 ( 4232 PWs) bands (ev): -33.4411 -33.4411 -33.3997 -33.3997 -33.3997 -33.3997 -14.7608 -14.7608 -14.7394 -14.7394 -14.6279 -14.6279 -14.4164 -14.4164 -14.3691 -14.3691 -14.3450 -14.3450 -14.2768 -14.2768 -14.2491 -14.2491 -14.1948 -14.1948 0.1535 0.1535 0.1653 0.1653 1.9366 1.9366 1.9564 1.9564 1.9644 1.9644 2.6680 2.6680 6.2667 6.2667 7.4678 7.4678 7.7386 7.7386 8.2268 8.2268 9.3880 9.3880 9.4025 9.4025 9.5646 9.5646 k = 0.2054 0.2054 0.2054 ( 4244 PWs) bands (ev): -33.4400 -33.4400 -33.4003 -33.4003 -33.4003 -33.4003 -14.7604 -14.7604 -14.7377 -14.7377 -14.6317 -14.6317 -14.4136 -14.4136 -14.3710 -14.3710 -14.3432 -14.3432 -14.2750 -14.2750 -14.2530 -14.2530 -14.1955 -14.1955 0.1544 0.1544 0.1666 0.1666 1.9376 1.9376 1.9573 1.9573 1.9680 1.9680 2.7211 2.7211 6.2540 6.2540 7.4318 7.4318 7.6995 7.6995 8.2036 8.2036 9.3895 9.3895 9.4002 9.4002 9.5630 9.5630 k = 0.2143 0.2143 0.2143 ( 4251 PWs) bands (ev): -33.4389 -33.4389 -33.4008 -33.4008 -33.4008 -33.4008 -14.7602 -14.7602 -14.7359 -14.7359 -14.6358 -14.6358 -14.4107 -14.4107 -14.3732 -14.3732 -14.3412 -14.3412 -14.2729 -14.2729 -14.2567 -14.2567 -14.1962 -14.1962 0.1552 0.1552 0.1678 0.1678 1.9381 1.9381 1.9585 1.9585 1.9716 1.9716 2.7748 2.7748 6.2418 6.2418 7.3985 7.3985 7.6630 7.6630 8.1840 8.1840 9.3861 9.3861 9.3926 9.3926 9.5596 9.5596 k = 0.2232 0.2232 0.2232 ( 4239 PWs) bands (ev): -33.4378 -33.4378 -33.4014 -33.4014 -33.4014 -33.4014 -14.7600 -14.7600 -14.7343 -14.7343 -14.6399 -14.6399 -14.4077 -14.4077 -14.3754 -14.3754 -14.3392 -14.3392 -14.2708 -14.2708 -14.2601 -14.2601 -14.1967 -14.1967 0.1560 0.1560 0.1689 0.1689 1.9382 1.9382 1.9599 1.9599 1.9749 1.9749 2.8288 2.8288 6.2304 6.2304 7.3680 7.3680 7.6291 7.6291 8.1677 8.1677 9.3773 9.3773 9.3792 9.3792 9.5543 9.5543 k = 0.2321 0.2321 0.2321 ( 4239 PWs) bands (ev): -33.4366 -33.4366 -33.4019 -33.4019 -33.4019 -33.4019 -14.7599 -14.7599 -14.7328 -14.7328 -14.6443 -14.6443 -14.4047 -14.4047 -14.3778 -14.3778 -14.3370 -14.3370 -14.2690 -14.2690 -14.2627 -14.2627 -14.1972 -14.1972 0.1568 0.1568 0.1698 0.1698 1.9379 1.9379 1.9615 1.9615 1.9782 1.9782 2.8827 2.8827 6.2203 6.2203 7.3401 7.3401 7.5979 7.5979 8.1547 8.1547 9.3598 9.3598 9.3627 9.3627 9.5471 9.5471 k = 0.2411 0.2411 0.2411 ( 4233 PWs) bands (ev): -33.4354 -33.4354 -33.4025 -33.4025 -33.4025 -33.4025 -14.7599 -14.7599 -14.7315 -14.7315 -14.6488 -14.6488 -14.4017 -14.4017 -14.3804 -14.3804 -14.3347 -14.3347 -14.2690 -14.2690 -14.2631 -14.2631 -14.1977 -14.1977 0.1575 0.1575 0.1706 0.1706 1.9372 1.9372 1.9633 1.9633 1.9812 1.9812 2.9362 2.9362 6.2119 6.2119 7.3150 7.3150 7.5693 7.5693 8.1448 8.1448 9.3342 9.3342 9.3422 9.3422 9.5379 9.5379 k = 0.2500 0.2500 0.2500 ( 4257 PWs) bands (ev): -33.4343 -33.4343 -33.4031 -33.4031 -33.4031 -33.4031 -14.7602 -14.7602 -14.7304 -14.7304 -14.6536 -14.6536 -14.3988 -14.3988 -14.3830 -14.3830 -14.3323 -14.3323 -14.2710 -14.2710 -14.2612 -14.2612 -14.1981 -14.1981 0.1581 0.1581 0.1713 0.1713 1.9362 1.9362 1.9651 1.9651 1.9840 1.9840 2.9890 2.9890 6.2058 6.2058 7.2925 7.2925 7.5435 7.5435 8.1377 8.1377 9.3026 9.3026 9.3158 9.3158 9.5264 9.5264 k = 0.2589 0.2589 0.2589 ( 4242 PWs) bands (ev): -33.4331 -33.4331 -33.4036 -33.4036 -33.4036 -33.4036 -14.7604 -14.7604 -14.7293 -14.7293 -14.6583 -14.6583 -14.3961 -14.3961 -14.3854 -14.3854 -14.3298 -14.3298 -14.2733 -14.2733 -14.2584 -14.2584 -14.1983 -14.1983 0.1587 0.1587 0.1718 0.1718 1.9348 1.9348 1.9671 1.9671 1.9867 1.9867 3.0409 3.0409 6.2026 6.2026 7.2728 7.2728 7.5204 7.5204 8.1333 8.1333 9.2656 9.2656 9.2841 9.2841 9.5128 9.5128 k = 0.2679 0.2679 0.2679 ( 4251 PWs) bands (ev): -33.4319 -33.4319 -33.4042 -33.4042 -33.4042 -33.4042 -14.7609 -14.7609 -14.7284 -14.7284 -14.6632 -14.6632 -14.3945 -14.3945 -14.3871 -14.3871 -14.3273 -14.3273 -14.2755 -14.2755 -14.2554 -14.2554 -14.1985 -14.1985 0.1592 0.1592 0.1722 0.1722 1.9332 1.9332 1.9691 1.9691 1.9891 1.9891 3.0914 3.0914 6.2026 6.2026 7.2558 7.2558 7.5001 7.5001 8.1312 8.1312 9.2236 9.2236 9.2473 9.2473 9.4968 9.4968 k = 0.2768 0.2768 0.2768 ( 4257 PWs) bands (ev): -33.4307 -33.4307 -33.4048 -33.4048 -33.4048 -33.4048 -14.7614 -14.7614 -14.7277 -14.7277 -14.6681 -14.6681 -14.3950 -14.3950 -14.3866 -14.3866 -14.3247 -14.3247 -14.2776 -14.2776 -14.2521 -14.2521 -14.1987 -14.1987 0.1596 0.1596 0.1724 0.1724 1.9313 1.9313 1.9711 1.9711 1.9912 1.9912 3.1401 3.1401 6.2064 6.2064 7.2416 7.2416 7.4827 7.4827 8.1313 8.1313 9.1772 9.1772 9.2061 9.2061 9.4783 9.4783 k = 0.2857 0.2857 0.2857 ( 4251 PWs) bands (ev): -33.4296 -33.4296 -33.4053 -33.4053 -33.4053 -33.4053 -14.7621 -14.7621 -14.7271 -14.7271 -14.6729 -14.6729 -14.3974 -14.3974 -14.3845 -14.3845 -14.3220 -14.3220 -14.2793 -14.2793 -14.2488 -14.2488 -14.1987 -14.1987 0.1600 0.1600 0.1725 0.1725 1.9292 1.9292 1.9730 1.9730 1.9932 1.9932 3.1869 3.1869 6.2143 6.2143 7.2301 7.2301 7.4681 7.4681 8.1332 8.1332 9.1271 9.1271 9.1611 9.1611 9.4573 9.4573 k = 0.2946 0.2946 0.2946 ( 4251 PWs) bands (ev): -33.4284 -33.4284 -33.4059 -33.4059 -33.4059 -33.4059 -14.7630 -14.7630 -14.7267 -14.7267 -14.6778 -14.6778 -14.4003 -14.4003 -14.3820 -14.3820 -14.3193 -14.3193 -14.2809 -14.2809 -14.2453 -14.2453 -14.1987 -14.1987 0.1603 0.1603 0.1725 0.1725 1.9269 1.9269 1.9750 1.9750 1.9949 1.9949 3.2314 3.2314 6.2269 6.2269 7.2214 7.2214 7.4563 7.4563 8.1367 8.1367 9.0740 9.0740 9.1128 9.1128 9.4337 9.4337 k = 0.3036 0.3036 0.3036 ( 4260 PWs) bands (ev): -33.4273 -33.4273 -33.4064 -33.4064 -33.4064 -33.4064 -14.7640 -14.7640 -14.7264 -14.7264 -14.6826 -14.6826 -14.4034 -14.4034 -14.3794 -14.3794 -14.3166 -14.3166 -14.2822 -14.2822 -14.2417 -14.2417 -14.1986 -14.1986 0.1606 0.1606 0.1723 0.1723 1.9244 1.9244 1.9769 1.9769 1.9964 1.9964 3.2733 3.2733 6.2445 6.2445 7.2154 7.2154 7.4473 7.4473 8.1415 8.1415 9.0184 9.0184 9.0618 9.0618 9.4073 9.4073 k = 0.3125 0.3125 0.3125 ( 4254 PWs) bands (ev): -33.4262 -33.4262 -33.4070 -33.4070 -33.4070 -33.4070 -14.7651 -14.7651 -14.7262 -14.7262 -14.6873 -14.6873 -14.4066 -14.4066 -14.3768 -14.3768 -14.3139 -14.3139 -14.2833 -14.2833 -14.2381 -14.2381 -14.1984 -14.1984 0.1608 0.1608 0.1720 0.1720 1.9217 1.9217 1.9787 1.9787 1.9977 1.9977 3.3125 3.3125 6.2672 6.2672 7.2122 7.2122 7.4411 7.4411 8.1475 8.1475 8.9609 8.9609 9.0087 9.0087 9.3781 9.3781 k = 0.3214 0.3214 0.3214 ( 4242 PWs) bands (ev): -33.4251 -33.4251 -33.4075 -33.4075 -33.4075 -33.4075 -14.7664 -14.7664 -14.7260 -14.7260 -14.6918 -14.6918 -14.4097 -14.4097 -14.3743 -14.3743 -14.3111 -14.3111 -14.2841 -14.2841 -14.2344 -14.2344 -14.1981 -14.1981 0.1609 0.1609 0.1716 0.1716 1.9189 1.9189 1.9805 1.9805 1.9987 1.9987 3.3486 3.3486 6.2955 6.2955 7.2118 7.2118 7.4377 7.4377 8.1542 8.1542 8.9019 8.9019 8.9539 8.9539 9.3460 9.3460 k = 0.3304 0.3304 0.3304 ( 4248 PWs) bands (ev): -33.4241 -33.4241 -33.4080 -33.4080 -33.4080 -33.4080 -14.7679 -14.7679 -14.7261 -14.7261 -14.6962 -14.6962 -14.4129 -14.4129 -14.3720 -14.3720 -14.3084 -14.3084 -14.2847 -14.2847 -14.2307 -14.2307 -14.1977 -14.1977 0.1610 0.1610 0.1711 0.1711 1.9160 1.9160 1.9822 1.9822 1.9996 1.9996 3.3818 3.3818 6.3292 6.3292 7.2141 7.2141 7.4371 7.4371 8.1615 8.1615 8.8420 8.8420 8.8978 8.8978 9.3109 9.3109 k = 0.3393 0.3393 0.3393 ( 4236 PWs) bands (ev): -33.4231 -33.4231 -33.4085 -33.4085 -33.4085 -33.4085 -14.7695 -14.7695 -14.7262 -14.7262 -14.7003 -14.7003 -14.4160 -14.4160 -14.3697 -14.3697 -14.3058 -14.3058 -14.2852 -14.2852 -14.2271 -14.2271 -14.1972 -14.1972 0.1611 0.1611 0.1705 0.1705 1.9131 1.9131 1.9838 1.9838 2.0002 2.0002 3.4118 3.4118 6.3685 6.3685 7.2191 7.2191 7.4391 7.4391 8.1691 8.1691 8.7815 8.7815 8.8408 8.8408 9.2728 9.2728 k = 0.3482 0.3482 0.3482 ( 4242 PWs) bands (ev): -33.4221 -33.4221 -33.4089 -33.4089 -33.4089 -33.4089 -14.7713 -14.7713 -14.7264 -14.7264 -14.7042 -14.7042 -14.4190 -14.4190 -14.3677 -14.3677 -14.3033 -14.3033 -14.2854 -14.2854 -14.2235 -14.2235 -14.1967 -14.1967 0.1610 0.1610 0.1698 0.1698 1.9100 1.9100 1.9854 1.9854 2.0007 2.0007 3.4386 3.4386 6.4133 6.4133 7.2269 7.2269 7.4439 7.4439 8.1766 8.1766 8.7209 8.7209 8.7831 8.7831 9.2316 9.2316 k = 0.3571 0.3571 0.3571 ( 4248 PWs) bands (ev): -33.4211 -33.4211 -33.4094 -33.4094 -33.4094 -33.4094 -14.7733 -14.7733 -14.7268 -14.7268 -14.7078 -14.7078 -14.4220 -14.4220 -14.3658 -14.3658 -14.3009 -14.3009 -14.2856 -14.2856 -14.2199 -14.2199 -14.1961 -14.1961 0.1610 0.1610 0.1690 0.1690 1.9070 1.9070 1.9868 1.9868 2.0010 2.0010 3.4624 3.4624 6.4634 6.4634 7.2374 7.2374 7.4513 7.4513 8.1837 8.1837 8.6605 8.6605 8.7251 8.7251 9.1872 9.1872 k = 0.3661 0.3661 0.3661 ( 4242 PWs) bands (ev): -33.4202 -33.4202 -33.4098 -33.4098 -33.4098 -33.4098 -14.7753 -14.7753 -14.7271 -14.7271 -14.7111 -14.7111 -14.4248 -14.4248 -14.3641 -14.3641 -14.2986 -14.2986 -14.2855 -14.2855 -14.2164 -14.2164 -14.1955 -14.1955 0.1609 0.1609 0.1682 0.1682 1.9039 1.9039 1.9882 1.9882 2.0011 2.0011 3.4833 3.4833 6.5186 6.5186 7.2507 7.2507 7.4613 7.4613 8.1902 8.1902 8.6008 8.6008 8.6670 8.6670 9.1399 9.1399 k = 0.3750 0.3750 0.3750 ( 4239 PWs) bands (ev): -33.4194 -33.4194 -33.4102 -33.4102 -33.4102 -33.4102 -14.7775 -14.7775 -14.7275 -14.7275 -14.7142 -14.7142 -14.4275 -14.4275 -14.3625 -14.3625 -14.2964 -14.2964 -14.2854 -14.2854 -14.2130 -14.2130 -14.1947 -14.1947 0.1608 0.1608 0.1673 0.1673 1.9009 1.9009 1.9895 1.9895 2.0012 2.0012 3.5014 3.5014 6.5784 6.5784 7.2667 7.2667 7.4738 7.4738 8.1954 8.1954 8.5424 8.5424 8.6090 8.6090 9.0895 9.0895 k = 0.3839 0.3839 0.3839 ( 4230 PWs) bands (ev): -33.4185 -33.4185 -33.4106 -33.4106 -33.4106 -33.4106 -14.7797 -14.7797 -14.7279 -14.7279 -14.7169 -14.7169 -14.4300 -14.4300 -14.3610 -14.3610 -14.2943 -14.2943 -14.2851 -14.2851 -14.2098 -14.2098 -14.1940 -14.1940 0.1606 0.1606 0.1664 0.1664 1.8979 1.8979 1.9906 1.9906 2.0011 2.0011 3.5169 3.5169 6.6423 6.6423 7.2856 7.2856 7.4889 7.4889 8.1986 8.1986 8.4858 8.4858 8.5513 8.5513 9.0363 9.0363 k = 0.3929 0.3929 0.3929 ( 4230 PWs) bands (ev): -33.4178 -33.4178 -33.4110 -33.4110 -33.4110 -33.4110 -14.7819 -14.7819 -14.7284 -14.7284 -14.7195 -14.7195 -14.4324 -14.4324 -14.3597 -14.3597 -14.2924 -14.2924 -14.2848 -14.2848 -14.2066 -14.2066 -14.1932 -14.1932 0.1604 0.1604 0.1655 0.1655 1.8950 1.8950 1.9917 1.9917 2.0009 2.0009 3.5300 3.5300 6.7099 6.7099 7.3074 7.3074 7.5063 7.5063 8.1987 8.1987 8.4321 8.4321 8.4940 8.4940 8.9805 8.9805 k = 0.4018 0.4018 0.4018 ( 4236 PWs) bands (ev): -33.4171 -33.4171 -33.4113 -33.4113 -33.4113 -33.4113 -14.7842 -14.7842 -14.7289 -14.7289 -14.7217 -14.7217 -14.4347 -14.4347 -14.3586 -14.3586 -14.2906 -14.2906 -14.2845 -14.2845 -14.2037 -14.2037 -14.1925 -14.1925 0.1603 0.1603 0.1646 0.1646 1.8922 1.8922 1.9927 1.9927 2.0007 2.0007 3.5409 3.5409 6.7804 6.7804 7.3322 7.3322 7.5262 7.5262 8.1941 8.1941 8.3828 8.3828 8.4374 8.4374 8.9225 8.9225 k = 0.4107 0.4107 0.4107 ( 4248 PWs) bands (ev): -33.4164 -33.4164 -33.4117 -33.4117 -33.4117 -33.4117 -14.7865 -14.7865 -14.7294 -14.7294 -14.7237 -14.7237 -14.4368 -14.4368 -14.3576 -14.3576 -14.2890 -14.2890 -14.2841 -14.2841 -14.2010 -14.2010 -14.1917 -14.1917 0.1601 0.1601 0.1638 0.1638 1.8895 1.8895 1.9936 1.9936 2.0004 2.0004 3.5500 3.5500 6.8528 6.8528 7.3603 7.3603 7.5483 7.5483 8.1819 8.1819 8.3402 8.3402 8.3815 8.3815 8.8628 8.8628 k = 0.4196 0.4196 0.4196 ( 4242 PWs) bands (ev): -33.4158 -33.4158 -33.4120 -33.4120 -33.4120 -33.4120 -14.7886 -14.7886 -14.7299 -14.7299 -14.7254 -14.7254 -14.4386 -14.4386 -14.3567 -14.3567 -14.2875 -14.2875 -14.2836 -14.2836 -14.1984 -14.1984 -14.1909 -14.1909 0.1599 0.1599 0.1629 0.1629 1.8870 1.8870 1.9945 1.9945 2.0000 2.0000 3.5574 3.5574 6.9263 6.9263 7.3919 7.3919 7.5727 7.5727 8.1599 8.1599 8.3064 8.3064 8.3264 8.3264 8.8023 8.8023 k = 0.4286 0.4286 0.4286 ( 4242 PWs) bands (ev): -33.4153 -33.4153 -33.4122 -33.4122 -33.4122 -33.4122 -14.7906 -14.7906 -14.7303 -14.7303 -14.7269 -14.7269 -14.4403 -14.4403 -14.3559 -14.3559 -14.2862 -14.2862 -14.2832 -14.2832 -14.1961 -14.1961 -14.1902 -14.1902 0.1597 0.1597 0.1621 0.1621 1.8847 1.8847 1.9952 1.9952 1.9997 1.9997 3.5633 3.5633 6.9994 6.9994 7.4277 7.4277 7.5993 7.5993 8.1282 8.1282 8.2723 8.2723 8.2804 8.2804 8.7423 8.7423 k = 0.4375 0.4375 0.4375 ( 4245 PWs) bands (ev): -33.4148 -33.4148 -33.4124 -33.4124 -33.4124 -33.4124 -14.7924 -14.7924 -14.7307 -14.7307 -14.7282 -14.7282 -14.4419 -14.4419 -14.3553 -14.3553 -14.2850 -14.2850 -14.2828 -14.2828 -14.1940 -14.1940 -14.1895 -14.1895 0.1595 0.1595 0.1614 0.1614 1.8826 1.8826 1.9958 1.9958 1.9993 1.9993 3.5680 3.5680 7.0705 7.0705 7.4681 7.4681 7.6281 7.6281 8.0903 8.0903 8.2193 8.2193 8.2575 8.2575 8.6844 8.6844 k = 0.4464 0.4464 0.4464 ( 4248 PWs) bands (ev): -33.4144 -33.4144 -33.4126 -33.4126 -33.4126 -33.4126 -14.7941 -14.7941 -14.7311 -14.7311 -14.7293 -14.7293 -14.4432 -14.4432 -14.3547 -14.3547 -14.2840 -14.2840 -14.2825 -14.2825 -14.1922 -14.1922 -14.1889 -14.1889 0.1593 0.1593 0.1607 0.1607 1.8808 1.8808 1.9964 1.9964 1.9990 1.9990 3.5717 3.5717 7.1379 7.1379 7.5139 7.5139 7.6589 7.6589 8.0501 8.0501 8.1674 8.1674 8.2323 8.2323 8.6310 8.6310 k = 0.4554 0.4554 0.4554 ( 4248 PWs) bands (ev): -33.4140 -33.4140 -33.4128 -33.4128 -33.4128 -33.4128 -14.7956 -14.7956 -14.7314 -14.7314 -14.7302 -14.7302 -14.4443 -14.4443 -14.3542 -14.3542 -14.2832 -14.2832 -14.2821 -14.2821 -14.1906 -14.1906 -14.1883 -14.1883 0.1592 0.1592 0.1602 0.1602 1.8792 1.8792 1.9968 1.9968 1.9987 1.9987 3.5745 3.5745 7.1993 7.1993 7.5658 7.5658 7.6917 7.6917 8.0107 8.0107 8.1167 8.1167 8.2003 8.2003 8.5848 8.5848 k = 0.4643 0.4643 0.4643 ( 4248 PWs) bands (ev): -33.4137 -33.4137 -33.4130 -33.4130 -33.4130 -33.4130 -14.7968 -14.7968 -14.7317 -14.7317 -14.7310 -14.7310 -14.4453 -14.4453 -14.3539 -14.3539 -14.2825 -14.2825 -14.2818 -14.2818 -14.1893 -14.1893 -14.1878 -14.1878 0.1590 0.1590 0.1597 0.1597 1.8778 1.8778 1.9972 1.9972 1.9984 1.9984 3.5766 3.5766 7.2529 7.2529 7.6240 7.6240 7.7264 7.7264 7.9741 7.9741 8.0673 8.0673 8.1589 8.1589 8.5478 8.5478 k = 0.4732 0.4732 0.4732 ( 4242 PWs) bands (ev): -33.4135 -33.4135 -33.4131 -33.4131 -33.4131 -33.4131 -14.7978 -14.7978 -14.7319 -14.7319 -14.7315 -14.7315 -14.4460 -14.4460 -14.3536 -14.3536 -14.2819 -14.2819 -14.2816 -14.2816 -14.1882 -14.1882 -14.1874 -14.1874 0.1589 0.1589 0.1593 0.1593 1.8768 1.8768 1.9975 1.9975 1.9982 1.9982 3.5781 3.5781 7.2969 7.2969 7.6879 7.6879 7.7630 7.7630 7.9424 7.9424 8.0194 8.0194 8.1074 8.1074 8.5209 8.5209 k = 0.4821 0.4821 0.4821 ( 4242 PWs) bands (ev): -33.4133 -33.4133 -33.4131 -33.4131 -33.4131 -33.4131 -14.7985 -14.7985 -14.7321 -14.7321 -14.7319 -14.7319 -14.4465 -14.4465 -14.3534 -14.3534 -14.2816 -14.2816 -14.2814 -14.2814 -14.1875 -14.1875 -14.1872 -14.1872 0.1589 0.1589 0.1590 0.1590 1.8760 1.8760 1.9977 1.9977 1.9980 1.9980 3.5792 3.5792 7.3297 7.3297 7.7561 7.7561 7.8013 7.8013 7.9174 7.9174 7.9729 7.9729 8.0475 8.0475 8.5032 8.5032 k = 0.4911 0.4911 0.4911 ( 4242 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7989 -14.7989 -14.7322 -14.7322 -14.7321 -14.7321 -14.4468 -14.4468 -14.3532 -14.3532 -14.2813 -14.2813 -14.2813 -14.2813 -14.1871 -14.1871 -14.1870 -14.1870 0.1588 0.1588 0.1589 0.1589 1.8756 1.8756 1.9979 1.9979 1.9979 1.9979 3.5797 3.5797 7.3502 7.3502 7.8253 7.8253 7.8412 7.8412 7.9010 7.9010 7.9282 7.9282 7.9832 7.9832 8.4933 8.4933 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7991 -14.7991 -14.7322 -14.7322 -14.7322 -14.7322 -14.4469 -14.4469 -14.3532 -14.3532 -14.2812 -14.2812 -14.2812 -14.2812 -14.1869 -14.1869 -14.1869 -14.1869 0.1588 0.1588 0.1588 0.1588 1.8754 1.8754 1.9979 1.9979 1.9979 1.9979 3.5799 3.5799 7.3571 7.3571 7.8757 7.8757 7.8757 7.8757 7.8920 7.8920 7.8920 7.8920 7.9378 7.9378 8.4902 8.4902 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7991 -14.7991 -14.7322 -14.7322 -14.7322 -14.7322 -14.4469 -14.4469 -14.3532 -14.3532 -14.2812 -14.2812 -14.2812 -14.2812 -14.1869 -14.1869 -14.1869 -14.1869 0.1588 0.1588 0.1588 0.1588 1.8754 1.8754 1.9979 1.9979 1.9979 1.9979 3.5799 3.5799 7.3571 7.3571 7.8757 7.8757 7.8757 7.8757 7.8920 7.8920 7.8920 7.8920 7.9378 7.9378 8.4902 8.4902 k = 0.4891 0.5000 0.4891 ( 4244 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7989 -14.7989 -14.7322 -14.7322 -14.7321 -14.7321 -14.4468 -14.4468 -14.3532 -14.3532 -14.2813 -14.2813 -14.2813 -14.2813 -14.1871 -14.1871 -14.1870 -14.1870 0.1588 0.1588 0.1589 0.1589 1.8756 1.8756 1.9979 1.9979 1.9979 1.9979 3.5797 3.5797 7.3503 7.3503 7.8244 7.8244 7.8442 7.8442 7.8977 7.8977 7.9294 7.9294 7.9831 7.9831 8.4933 8.4933 k = 0.4783 0.5000 0.4783 ( 4248 PWs) bands (ev): -33.4133 -33.4133 -33.4132 -33.4132 -33.4131 -33.4131 -14.7985 -14.7985 -14.7321 -14.7321 -14.7319 -14.7319 -14.4465 -14.4465 -14.3534 -14.3534 -14.2816 -14.2816 -14.2814 -14.2814 -14.1875 -14.1875 -14.1872 -14.1872 0.1589 0.1589 0.1590 0.1590 1.8760 1.8760 1.9977 1.9977 1.9981 1.9981 3.5792 3.5792 7.3301 7.3301 7.7523 7.7523 7.8130 7.8130 7.9038 7.9038 7.9769 7.9769 8.0491 8.0491 8.5028 8.5028 k = 0.4674 0.5000 0.4674 ( 4248 PWs) bands (ev): -33.4134 -33.4134 -33.4132 -33.4132 -33.4130 -33.4130 -14.7978 -14.7978 -14.7319 -14.7319 -14.7315 -14.7315 -14.4460 -14.4460 -14.3536 -14.3536 -14.2820 -14.2820 -14.2816 -14.2816 -14.1882 -14.1882 -14.1875 -14.1875 0.1590 0.1590 0.1593 0.1593 1.8768 1.8768 1.9975 1.9975 1.9983 1.9983 3.5782 3.5782 7.2981 7.2981 7.6776 7.6776 7.7894 7.7894 7.9134 7.9134 8.0246 8.0246 8.1151 8.1151 8.5194 8.5194 k = 0.4565 0.5000 0.4565 ( 4248 PWs) bands (ev): -33.4136 -33.4136 -33.4132 -33.4132 -33.4128 -33.4128 -14.7969 -14.7969 -14.7317 -14.7317 -14.7310 -14.7310 -14.4453 -14.4453 -14.3539 -14.3539 -14.2825 -14.2825 -14.2818 -14.2818 -14.1892 -14.1892 -14.1879 -14.1879 0.1591 0.1591 0.1596 0.1596 1.8778 1.8778 1.9971 1.9971 1.9985 1.9985 3.5768 3.5768 7.2561 7.2561 7.6026 7.6026 7.7730 7.7730 7.9266 7.9266 8.0685 8.0685 8.1805 8.1805 8.5437 8.5437 k = 0.4457 0.5000 0.4457 ( 4248 PWs) bands (ev): -33.4138 -33.4138 -33.4132 -33.4132 -33.4126 -33.4126 -14.7956 -14.7956 -14.7314 -14.7314 -14.7302 -14.7302 -14.4444 -14.4444 -14.3542 -14.3542 -14.2832 -14.2832 -14.2821 -14.2821 -14.1904 -14.1904 -14.1885 -14.1885 0.1592 0.1592 0.1601 0.1601 1.8791 1.8791 1.9967 1.9967 1.9989 1.9989 3.5748 3.5748 7.2063 7.2063 7.5285 7.5285 7.7625 7.7625 7.9435 7.9435 8.1053 8.1053 8.2464 8.2464 8.5759 8.5759 k = 0.4348 0.5000 0.4348 ( 4248 PWs) bands (ev): -33.4141 -33.4141 -33.4132 -33.4132 -33.4124 -33.4124 -14.7942 -14.7942 -14.7311 -14.7311 -14.7294 -14.7294 -14.4433 -14.4433 -14.3547 -14.3547 -14.2840 -14.2840 -14.2824 -14.2824 -14.1918 -14.1918 -14.1891 -14.1891 0.1594 0.1594 0.1606 0.1606 1.8807 1.8807 1.9961 1.9961 1.9993 1.9993 3.5723 3.5723 7.1504 7.1504 7.4563 7.4563 7.7569 7.7569 7.9640 7.9640 8.1332 8.1332 8.3138 8.3138 8.6154 8.6154 k = 0.4239 0.5000 0.4239 ( 4240 PWs) bands (ev): -33.4144 -33.4144 -33.4132 -33.4132 -33.4121 -33.4121 -14.7924 -14.7924 -14.7307 -14.7307 -14.7283 -14.7283 -14.4419 -14.4419 -14.3552 -14.3552 -14.2850 -14.2850 -14.2828 -14.2828 -14.1935 -14.1935 -14.1899 -14.1899 0.1596 0.1596 0.1613 0.1613 1.8826 1.8826 1.9955 1.9955 1.9998 1.9998 3.5691 3.5691 7.0898 7.0898 7.3870 7.3870 7.7550 7.7550 7.9882 7.9882 8.1525 8.1525 8.3829 8.3829 8.6606 8.6606 k = 0.4130 0.5000 0.4130 ( 4248 PWs) bands (ev): -33.4147 -33.4147 -33.4132 -33.4132 -33.4117 -33.4117 -14.7906 -14.7906 -14.7303 -14.7303 -14.7271 -14.7271 -14.4404 -14.4404 -14.3559 -14.3559 -14.2861 -14.2861 -14.2833 -14.2833 -14.1954 -14.1954 -14.1908 -14.1908 0.1599 0.1599 0.1619 0.1619 1.8846 1.8846 1.9948 1.9948 2.0003 2.0003 3.5651 3.5651 7.0253 7.0253 7.3217 7.3217 7.7561 7.7561 8.0159 8.0159 8.1643 8.1643 8.4534 8.4534 8.7097 8.7097 k = 0.4022 0.5000 0.4022 ( 4238 PWs) bands (ev): -33.4151 -33.4151 -33.4132 -33.4132 -33.4113 -33.4113 -14.7885 -14.7885 -14.7298 -14.7298 -14.7257 -14.7257 -14.4387 -14.4387 -14.3566 -14.3566 -14.2873 -14.2873 -14.2838 -14.2838 -14.1975 -14.1975 -14.1918 -14.1918 0.1601 0.1601 0.1627 0.1627 1.8869 1.8869 1.9940 1.9940 2.0008 2.0008 3.5603 3.5603 6.9575 6.9575 7.2612 7.2612 7.7596 7.7596 8.0471 8.0471 8.1703 8.1703 8.5251 8.5251 8.7608 8.7608 k = 0.3913 0.5000 0.3913 ( 4238 PWs) bands (ev): -33.4156 -33.4156 -33.4132 -33.4132 -33.4109 -33.4109 -14.7863 -14.7863 -14.7292 -14.7292 -14.7242 -14.7242 -14.4368 -14.4368 -14.3575 -14.3575 -14.2886 -14.2886 -14.2844 -14.2844 -14.1997 -14.1997 -14.1929 -14.1929 0.1604 0.1604 0.1635 0.1635 1.8894 1.8894 1.9930 1.9930 2.0014 2.0014 3.5544 3.5544 6.8869 6.8869 7.2063 7.2063 7.7650 7.7650 8.0816 8.0816 8.1719 8.1719 8.5975 8.5975 8.8124 8.8124 k = 0.3804 0.5000 0.3804 ( 4246 PWs) bands (ev): -33.4160 -33.4160 -33.4133 -33.4133 -33.4105 -33.4105 -14.7839 -14.7839 -14.7287 -14.7287 -14.7225 -14.7225 -14.4348 -14.4348 -14.3585 -14.3585 -14.2900 -14.2900 -14.2850 -14.2850 -14.2021 -14.2021 -14.1941 -14.1941 0.1607 0.1607 0.1643 0.1643 1.8921 1.8921 1.9920 1.9920 2.0019 2.0019 3.5475 3.5475 6.8139 6.8139 7.1575 7.1575 7.7720 7.7720 8.1194 8.1194 8.1702 8.1702 8.6702 8.6702 8.8634 8.8634 k = 0.3696 0.5000 0.3696 ( 4242 PWs) bands (ev): -33.4166 -33.4166 -33.4133 -33.4133 -33.4100 -33.4100 -14.7815 -14.7815 -14.7280 -14.7280 -14.7207 -14.7207 -14.4326 -14.4326 -14.3596 -14.3596 -14.2915 -14.2915 -14.2857 -14.2857 -14.2045 -14.2045 -14.1953 -14.1953 0.1609 0.1609 0.1652 0.1652 1.8949 1.8949 1.9909 1.9909 2.0025 2.0025 3.5393 3.5393 6.7391 6.7391 7.1151 7.1151 7.7805 7.7805 8.1593 8.1593 8.1671 8.1671 8.7431 8.7431 8.9130 8.9130 k = 0.3587 0.5000 0.3587 ( 4226 PWs) bands (ev): -33.4171 -33.4171 -33.4133 -33.4133 -33.4094 -33.4094 -14.7790 -14.7790 -14.7273 -14.7273 -14.7186 -14.7186 -14.4301 -14.4301 -14.3608 -14.3608 -14.2930 -14.2930 -14.2864 -14.2864 -14.2071 -14.2071 -14.1966 -14.1966 0.1612 0.1612 0.1660 0.1660 1.8978 1.8978 1.9897 1.9897 2.0030 2.0030 3.5299 3.5299 6.6629 6.6629 7.0792 7.0792 7.7903 7.7903 8.1594 8.1594 8.2050 8.2050 8.8158 8.8158 8.9607 8.9607 k = 0.3478 0.5000 0.3478 ( 4236 PWs) bands (ev): -33.4177 -33.4177 -33.4133 -33.4133 -33.4089 -33.4089 -14.7765 -14.7765 -14.7266 -14.7266 -14.7164 -14.7164 -14.4276 -14.4276 -14.3622 -14.3622 -14.2946 -14.2946 -14.2872 -14.2872 -14.2098 -14.2098 -14.1981 -14.1981 0.1615 0.1615 0.1669 0.1669 1.9009 1.9009 1.9884 1.9884 2.0035 2.0035 3.5191 3.5191 6.5860 6.5860 7.0500 7.0500 7.8012 7.8012 8.1521 8.1521 8.2520 8.2520 8.8878 8.8878 9.0064 9.0064 k = 0.3370 0.5000 0.3370 ( 4238 PWs) bands (ev): -33.4183 -33.4183 -33.4133 -33.4133 -33.4083 -33.4083 -14.7740 -14.7740 -14.7259 -14.7259 -14.7141 -14.7141 -14.4249 -14.4249 -14.3637 -14.3637 -14.2961 -14.2961 -14.2880 -14.2880 -14.2125 -14.2125 -14.1995 -14.1995 0.1618 0.1618 0.1678 0.1678 1.9040 1.9040 1.9870 1.9870 2.0039 2.0039 3.5069 3.5069 6.5088 6.5088 7.0274 7.0274 7.8131 7.8131 8.1437 8.1437 8.3018 8.3018 8.9582 8.9582 9.0506 9.0506 k = 0.3261 0.5000 0.3261 ( 4230 PWs) bands (ev): -33.4189 -33.4189 -33.4133 -33.4133 -33.4077 -33.4077 -14.7716 -14.7716 -14.7251 -14.7251 -14.7115 -14.7115 -14.4221 -14.4221 -14.3653 -14.3653 -14.2976 -14.2976 -14.2888 -14.2888 -14.2152 -14.2152 -14.2010 -14.2010 0.1620 0.1620 0.1686 0.1686 1.9072 1.9072 1.9856 1.9856 2.0043 2.0043 3.4933 3.4933 6.4317 6.4317 7.0115 7.0115 7.8258 7.8258 8.1348 8.1348 8.3544 8.3544 9.0249 9.0249 9.0956 9.0956 k = 0.3152 0.5000 0.3152 ( 4238 PWs) bands (ev): -33.4196 -33.4196 -33.4133 -33.4133 -33.4071 -33.4071 -14.7692 -14.7692 -14.7242 -14.7242 -14.7089 -14.7089 -14.4192 -14.4192 -14.3672 -14.3672 -14.2992 -14.2992 -14.2897 -14.2897 -14.2180 -14.2180 -14.2026 -14.2026 0.1623 0.1623 0.1694 0.1694 1.9104 1.9104 1.9841 1.9841 2.0046 2.0046 3.4782 3.4782 6.3549 6.3549 7.0023 7.0023 7.8391 7.8391 8.1256 8.1256 8.4095 8.4095 9.0821 9.0822 9.1465 9.1465 k = 0.3043 0.5000 0.3043 ( 4238 PWs) bands (ev): -33.4202 -33.4202 -33.4133 -33.4133 -33.4064 -33.4064 -14.7670 -14.7670 -14.7233 -14.7233 -14.7061 -14.7061 -14.4162 -14.4162 -14.3691 -14.3691 -14.3006 -14.3006 -14.2907 -14.2907 -14.2207 -14.2207 -14.2041 -14.2041 0.1625 0.1625 0.1702 0.1702 1.9136 1.9136 1.9824 1.9824 2.0047 2.0047 3.4618 3.4618 6.2790 6.2790 6.9998 6.9998 7.8529 7.8529 8.1166 8.1166 8.4669 8.4669 9.1257 9.1257 9.2079 9.2079 k = 0.2935 0.5000 0.2935 ( 4246 PWs) bands (ev): -33.4209 -33.4209 -33.4133 -33.4133 -33.4058 -33.4058 -14.7649 -14.7649 -14.7224 -14.7224 -14.7032 -14.7032 -14.4131 -14.4131 -14.3712 -14.3712 -14.3020 -14.3020 -14.2916 -14.2916 -14.2235 -14.2235 -14.2057 -14.2057 0.1627 0.1627 0.1710 0.1710 1.9169 1.9169 1.9808 1.9808 2.0047 2.0047 3.4440 3.4440 6.2040 6.2040 7.0038 7.0038 7.8668 7.8668 8.1082 8.1082 8.5265 8.5265 9.1592 9.1592 9.2761 9.2761 k = 0.2826 0.5000 0.2826 ( 4246 PWs) bands (ev): -33.4216 -33.4216 -33.4134 -33.4134 -33.4051 -33.4051 -14.7629 -14.7629 -14.7214 -14.7214 -14.7002 -14.7002 -14.4100 -14.4100 -14.3733 -14.3733 -14.3033 -14.3033 -14.2926 -14.2926 -14.2263 -14.2263 -14.2072 -14.2072 0.1628 0.1628 0.1717 0.1717 1.9201 1.9201 1.9790 1.9790 2.0046 2.0046 3.4249 3.4249 6.1303 6.1303 7.0144 7.0144 7.8804 7.8804 8.1007 8.1007 8.5881 8.5881 9.1868 9.1868 9.3472 9.3472 k = 0.2717 0.5000 0.2717 ( 4242 PWs) bands (ev): -33.4223 -33.4223 -33.4134 -33.4134 -33.4044 -33.4044 -14.7611 -14.7611 -14.7204 -14.7204 -14.6971 -14.6971 -14.4069 -14.4069 -14.3755 -14.3755 -14.3044 -14.3044 -14.2936 -14.2936 -14.2291 -14.2291 -14.2087 -14.2087 0.1629 0.1629 0.1723 0.1723 1.9233 1.9233 1.9772 1.9772 2.0043 2.0043 3.4048 3.4048 6.0579 6.0579 7.0312 7.0312 7.8933 7.8933 8.0949 8.0949 8.6514 8.6514 9.2103 9.2103 9.4196 9.4196 k = 0.2609 0.5000 0.2609 ( 4238 PWs) bands (ev): -33.4231 -33.4231 -33.4134 -33.4134 -33.4037 -33.4037 -14.7594 -14.7594 -14.7193 -14.7193 -14.6939 -14.6939 -14.4039 -14.4039 -14.3776 -14.3776 -14.3056 -14.3056 -14.2945 -14.2945 -14.2319 -14.2319 -14.2101 -14.2101 0.1629 0.1629 0.1729 0.1729 1.9264 1.9264 1.9754 1.9754 2.0039 2.0039 3.3836 3.3836 5.9872 5.9872 7.0543 7.0543 7.9047 7.9047 8.0915 8.0915 8.7164 8.7164 9.2305 9.2305 9.4926 9.4926 k = 0.2500 0.5000 0.2500 ( 4238 PWs) bands (ev): -33.4238 -33.4238 -33.4134 -33.4134 -33.4030 -33.4030 -14.7580 -14.7580 -14.7181 -14.7181 -14.6907 -14.6907 -14.4011 -14.4011 -14.3795 -14.3795 -14.3066 -14.3066 -14.2955 -14.2955 -14.2346 -14.2346 -14.2115 -14.2115 0.1629 0.1629 0.1734 0.1734 1.9295 1.9295 1.9735 1.9735 2.0033 2.0033 3.3616 3.3616 5.9183 5.9183 7.0833 7.0833 7.9139 7.9139 8.0912 8.0912 8.7826 8.7826 9.2481 9.2481 9.5660 9.5660 k = 0.2391 0.5000 0.2391 ( 4250 PWs) bands (ev): -33.4245 -33.4245 -33.4134 -33.4134 -33.4023 -33.4023 -14.7569 -14.7569 -14.7170 -14.7170 -14.6875 -14.6875 -14.3989 -14.3989 -14.3809 -14.3809 -14.3075 -14.3075 -14.2964 -14.2964 -14.2375 -14.2375 -14.2127 -14.2127 0.1629 0.1629 0.1739 0.1739 1.9325 1.9325 1.9716 1.9716 2.0024 2.0024 3.3390 3.3390 5.8512 5.8512 7.1179 7.1179 7.9203 7.9203 8.0948 8.0948 8.8500 8.8500 9.2633 9.2633 9.6397 9.6397 k = 0.2283 0.5000 0.2283 ( 4246 PWs) bands (ev): -33.4252 -33.4252 -33.4134 -33.4134 -33.4016 -33.4016 -14.7559 -14.7559 -14.7157 -14.7157 -14.6843 -14.6843 -14.3976 -14.3976 -14.3814 -14.3814 -14.3084 -14.3084 -14.2973 -14.2973 -14.2402 -14.2402 -14.2138 -14.2138 0.1627 0.1627 0.1743 0.1743 1.9355 1.9355 1.9697 1.9697 2.0014 2.0014 3.3160 3.3160 5.7863 5.7863 7.1579 7.1579 7.9236 7.9236 8.1025 8.1025 8.9182 8.9182 9.2765 9.2765 9.7135 9.7135 k = 0.2174 0.5000 0.2174 ( 4244 PWs) bands (ev): -33.4259 -33.4259 -33.4134 -33.4134 -33.4009 -33.4009 -14.7551 -14.7551 -14.7144 -14.7144 -14.6811 -14.6811 -14.3975 -14.3975 -14.3807 -14.3807 -14.3093 -14.3093 -14.2981 -14.2981 -14.2430 -14.2430 -14.2148 -14.2148 0.1626 0.1626 0.1747 0.1747 1.9383 1.9383 1.9677 1.9677 2.0002 2.0002 3.2927 3.2927 5.7235 5.7235 7.2029 7.2029 7.9240 7.9240 8.1143 8.1143 8.9871 8.9871 9.2881 9.2881 9.7874 9.7874 k = 0.2065 0.5000 0.2065 ( 4244 PWs) bands (ev): -33.4266 -33.4266 -33.4134 -33.4134 -33.4002 -33.4002 -14.7546 -14.7546 -14.7130 -14.7130 -14.6780 -14.6780 -14.3985 -14.3985 -14.3788 -14.3788 -14.3101 -14.3101 -14.2989 -14.2989 -14.2458 -14.2458 -14.2156 -14.2156 0.1623 0.1623 0.1750 0.1750 1.9411 1.9411 1.9657 1.9657 1.9988 1.9988 3.2693 3.2693 5.6629 5.6629 7.2524 7.2524 7.9221 7.9221 8.1295 8.1295 9.0562 9.0562 9.2983 9.2983 9.8613 9.8613 k = 0.1957 0.5000 0.1957 ( 4244 PWs) bands (ev): -33.4273 -33.4273 -33.4135 -33.4135 -33.3996 -33.3996 -14.7542 -14.7542 -14.7116 -14.7116 -14.6750 -14.6750 -14.4001 -14.4001 -14.3763 -14.3763 -14.3110 -14.3110 -14.2997 -14.2997 -14.2487 -14.2487 -14.2162 -14.2162 0.1620 0.1620 0.1753 0.1753 1.9437 1.9437 1.9637 1.9637 1.9972 1.9972 3.2461 3.2461 5.6049 5.6049 7.3059 7.3059 7.9186 7.9186 8.1475 8.1475 9.1255 9.1255 9.3075 9.3075 9.9349 9.9349 k = 0.1848 0.5000 0.1848 ( 4248 PWs) bands (ev): -33.4280 -33.4280 -33.4135 -33.4135 -33.3989 -33.3989 -14.7540 -14.7540 -14.7102 -14.7102 -14.6721 -14.6721 -14.4021 -14.4021 -14.3733 -14.3733 -14.3118 -14.3118 -14.3003 -14.3003 -14.2516 -14.2516 -14.2167 -14.2167 0.1616 0.1616 0.1756 0.1756 1.9462 1.9462 1.9618 1.9618 1.9955 1.9955 3.2233 3.2233 5.5493 5.5493 7.3628 7.3628 7.9144 7.9144 8.1675 8.1675 9.1945 9.1945 9.3158 9.3158 10.0076 10.0076 k = 0.1739 0.5000 0.1739 ( 4248 PWs) bands (ev): -33.4286 -33.4286 -33.4135 -33.4135 -33.3983 -33.3983 -14.7540 -14.7540 -14.7088 -14.7088 -14.6693 -14.6693 -14.4042 -14.4042 -14.3701 -14.3701 -14.3127 -14.3127 -14.3009 -14.3009 -14.2545 -14.2545 -14.2170 -14.2170 0.1612 0.1612 0.1758 0.1758 1.9486 1.9486 1.9598 1.9598 1.9935 1.9935 3.2010 3.2010 5.4963 5.4963 7.4223 7.4223 7.9103 7.9103 8.1892 8.1892 9.2629 9.2629 9.3234 9.3234 10.0497 10.0498 k = 0.1630 0.5000 0.1630 ( 4248 PWs) bands (ev): -33.4293 -33.4293 -33.4135 -33.4135 -33.3977 -33.3977 -14.7541 -14.7541 -14.7074 -14.7074 -14.6666 -14.6666 -14.4063 -14.4063 -14.3668 -14.3668 -14.3136 -14.3136 -14.3015 -14.3015 -14.2574 -14.2574 -14.2171 -14.2171 0.1607 0.1607 0.1760 0.1760 1.9508 1.9508 1.9579 1.9579 1.9915 1.9915 3.1793 3.1793 5.4461 5.4461 7.4834 7.4834 7.9071 7.9071 8.2120 8.2120 9.3282 9.3282 9.3329 9.3329 10.0221 10.0221 k = 0.1522 0.5000 0.1522 ( 4252 PWs) bands (ev): -33.4299 -33.4299 -33.4135 -33.4135 -33.3971 -33.3971 -14.7544 -14.7544 -14.7059 -14.7059 -14.6641 -14.6641 -14.4084 -14.4084 -14.3635 -14.3635 -14.3146 -14.3146 -14.3020 -14.3020 -14.2603 -14.2603 -14.2170 -14.2170 0.1602 0.1602 0.1761 0.1761 1.9529 1.9529 1.9562 1.9562 1.9893 1.9893 3.1585 3.1585 5.3986 5.3986 7.5447 7.5447 7.9059 7.9059 8.2357 8.2357 9.3372 9.3372 9.3972 9.3972 9.9938 9.9938 k = 0.1413 0.5000 0.1413 ( 4244 PWs) bands (ev): -33.4304 -33.4304 -33.4135 -33.4135 -33.3965 -33.3965 -14.7548 -14.7548 -14.7045 -14.7045 -14.6617 -14.6617 -14.4103 -14.4103 -14.3602 -14.3602 -14.3155 -14.3155 -14.3024 -14.3024 -14.2632 -14.2632 -14.2168 -14.2168 0.1597 0.1597 0.1763 0.1763 1.9536 1.9536 1.9556 1.9556 1.9871 1.9871 3.1387 3.1387 5.3541 5.3541 7.6042 7.6042 7.9082 7.9082 8.2599 8.2599 9.3439 9.3439 9.4621 9.4621 9.9665 9.9665 k = 0.1304 0.5000 0.1304 ( 4252 PWs) bands (ev): -33.4310 -33.4310 -33.4135 -33.4135 -33.3960 -33.3960 -14.7553 -14.7553 -14.7032 -14.7032 -14.6595 -14.6595 -14.4122 -14.4122 -14.3568 -14.3568 -14.3165 -14.3165 -14.3028 -14.3028 -14.2661 -14.2661 -14.2164 -14.2164 0.1591 0.1591 0.1764 0.1764 1.9521 1.9521 1.9571 1.9571 1.9849 1.9849 3.1200 3.1200 5.3125 5.3125 7.6587 7.6587 7.9165 7.9165 8.2846 8.2846 9.3504 9.3504 9.5251 9.5251 9.9405 9.9405 k = 0.1196 0.5000 0.1196 ( 4250 PWs) bands (ev): -33.4315 -33.4315 -33.4135 -33.4135 -33.3955 -33.3955 -14.7558 -14.7558 -14.7019 -14.7019 -14.6574 -14.6574 -14.4139 -14.4139 -14.3535 -14.3535 -14.3175 -14.3175 -14.3033 -14.3033 -14.2691 -14.2691 -14.2159 -14.2159 0.1585 0.1585 0.1764 0.1764 1.9504 1.9504 1.9588 1.9588 1.9826 1.9826 3.1025 3.1025 5.2739 5.2739 7.7040 7.7040 7.9344 7.9344 8.3097 8.3097 9.3569 9.3569 9.5857 9.5857 9.9159 9.9159 k = 0.1087 0.5000 0.1087 ( 4246 PWs) bands (ev): -33.4320 -33.4320 -33.4135 -33.4135 -33.3950 -33.3950 -14.7563 -14.7563 -14.7006 -14.7006 -14.6556 -14.6556 -14.4153 -14.4153 -14.3502 -14.3502 -14.3184 -14.3184 -14.3037 -14.3037 -14.2720 -14.2720 -14.2154 -14.2154 0.1579 0.1579 0.1765 0.1765 1.9487 1.9487 1.9604 1.9604 1.9804 1.9804 3.0862 3.0862 5.2385 5.2385 7.7364 7.7364 7.9644 7.9644 8.3351 8.3351 9.3631 9.3631 9.6435 9.6435 9.8929 9.8929 k = 0.0978 0.5000 0.0978 ( 4242 PWs) bands (ev): -33.4324 -33.4324 -33.4135 -33.4135 -33.3946 -33.3946 -14.7568 -14.7568 -14.6994 -14.6994 -14.6540 -14.6540 -14.4167 -14.4167 -14.3469 -14.3469 -14.3193 -14.3193 -14.3042 -14.3042 -14.2748 -14.2748 -14.2147 -14.2147 0.1573 0.1573 0.1766 0.1766 1.9472 1.9472 1.9618 1.9618 1.9783 1.9783 3.0714 3.0714 5.2062 5.2062 7.7561 7.7561 8.0054 8.0054 8.3609 8.3609 9.3693 9.3693 9.6981 9.6981 9.8717 9.8717 k = 0.0870 0.5000 0.0870 ( 4228 PWs) bands (ev): -33.4328 -33.4328 -33.4135 -33.4135 -33.3942 -33.3942 -14.7574 -14.7574 -14.6983 -14.6983 -14.6525 -14.6525 -14.4178 -14.4178 -14.3437 -14.3437 -14.3202 -14.3202 -14.3047 -14.3047 -14.2775 -14.2775 -14.2141 -14.2141 0.1568 0.1568 0.1766 0.1766 1.9457 1.9457 1.9631 1.9631 1.9763 1.9763 3.0580 3.0580 5.1772 5.1772 7.7665 7.7665 8.0526 8.0526 8.3871 8.3871 9.3753 9.3753 9.7487 9.7487 9.8527 9.8527 k = 0.0761 0.5000 0.0761 ( 4220 PWs) bands (ev): -33.4331 -33.4331 -33.4135 -33.4135 -33.3939 -33.3939 -14.7579 -14.7579 -14.6973 -14.6973 -14.6511 -14.6511 -14.4189 -14.4189 -14.3405 -14.3405 -14.3209 -14.3209 -14.3052 -14.3052 -14.2802 -14.2802 -14.2134 -14.2134 0.1563 0.1563 0.1767 0.1767 1.9443 1.9443 1.9643 1.9643 1.9745 1.9745 3.0461 3.0461 5.1515 5.1515 7.7714 7.7714 8.1008 8.1008 8.4137 8.4137 9.3810 9.3810 9.7934 9.7934 9.8372 9.8372 k = 0.0652 0.5000 0.0652 ( 4220 PWs) bands (ev): -33.4334 -33.4334 -33.4136 -33.4136 -33.3936 -33.3936 -14.7585 -14.7585 -14.6965 -14.6965 -14.6500 -14.6500 -14.4198 -14.4198 -14.3375 -14.3375 -14.3217 -14.3217 -14.3059 -14.3059 -14.2826 -14.2826 -14.2127 -14.2127 0.1558 0.1558 0.1767 0.1767 1.9430 1.9430 1.9653 1.9653 1.9728 1.9728 3.0357 3.0357 5.1291 5.1291 7.7733 7.7733 8.1460 8.1460 8.4408 8.4408 9.3864 9.3864 9.8128 9.8128 9.8444 9.8444 k = 0.0543 0.5000 0.0543 ( 4226 PWs) bands (ev): -33.4337 -33.4337 -33.4136 -33.4136 -33.3933 -33.3933 -14.7590 -14.7590 -14.6957 -14.6957 -14.6490 -14.6490 -14.4205 -14.4205 -14.3346 -14.3346 -14.3223 -14.3223 -14.3067 -14.3067 -14.2848 -14.2848 -14.2121 -14.2121 0.1554 0.1554 0.1767 0.1767 1.9419 1.9419 1.9662 1.9662 1.9714 1.9714 3.0268 3.0268 5.1100 5.1100 7.7736 7.7736 8.1858 8.1858 8.4678 8.4678 9.3913 9.3913 9.8027 9.8027 9.8777 9.8778 k = 0.0435 0.5000 0.0435 ( 4226 PWs) bands (ev): -33.4339 -33.4339 -33.4136 -33.4136 -33.3931 -33.3931 -14.7594 -14.7594 -14.6951 -14.6951 -14.6483 -14.6483 -14.4211 -14.4211 -14.3318 -14.3318 -14.3229 -14.3229 -14.3076 -14.3076 -14.2868 -14.2868 -14.2116 -14.2116 0.1550 0.1550 0.1767 0.1767 1.9410 1.9410 1.9668 1.9668 1.9702 1.9702 3.0196 3.0196 5.0944 5.0944 7.7731 7.7731 8.2185 8.2185 8.4935 8.4935 9.3955 9.3955 9.7923 9.7923 9.9081 9.9081 k = 0.0326 0.5000 0.0326 ( 4222 PWs) bands (ev): -33.4341 -33.4341 -33.4136 -33.4136 -33.3929 -33.3929 -14.7597 -14.7597 -14.6946 -14.6946 -14.6477 -14.6477 -14.4216 -14.4216 -14.3293 -14.3293 -14.3233 -14.3233 -14.3085 -14.3085 -14.2883 -14.2883 -14.2112 -14.2112 0.1547 0.1547 0.1767 0.1767 1.9402 1.9402 1.9674 1.9674 1.9692 1.9692 3.0139 3.0139 5.0822 5.0822 7.7725 7.7725 8.2437 8.2437 8.5166 8.5166 9.3989 9.3989 9.7838 9.7838 9.9324 9.9324 k = 0.0217 0.5000 0.0217 ( 4214 PWs) bands (ev): -33.4342 -33.4342 -33.4136 -33.4136 -33.3928 -33.3928 -14.7599 -14.7599 -14.6942 -14.6942 -14.6473 -14.6473 -14.4218 -14.4218 -14.3272 -14.3272 -14.3236 -14.3236 -14.3095 -14.3095 -14.2895 -14.2895 -14.2109 -14.2109 0.1545 0.1545 0.1767 0.1767 1.9397 1.9397 1.9678 1.9678 1.9685 1.9685 3.0099 3.0099 5.0735 5.0735 7.7719 7.7719 8.2614 8.2614 8.5349 8.5349 9.4015 9.4015 9.7776 9.7776 9.9499 9.9501 k = 0.0109 0.5000 0.0109 ( 4220 PWs) bands (ev): -33.4343 -33.4343 -33.4136 -33.4136 -33.3927 -33.3927 -14.7600 -14.7600 -14.6940 -14.6940 -14.6471 -14.6471 -14.4220 -14.4220 -14.3257 -14.3257 -14.3239 -14.3239 -14.3103 -14.3103 -14.2902 -14.2902 -14.2108 -14.2108 0.1544 0.1544 0.1767 0.1767 1.9393 1.9393 1.9680 1.9680 1.9681 1.9681 3.0075 3.0075 5.0683 5.0683 7.7715 7.7715 8.2718 8.2718 8.5468 8.5468 9.4029 9.4029 9.7738 9.7738 9.9595 9.9596 k = 0.0000 0.5000-0.0000 ( 4220 PWs) bands (ev): -33.4343 -33.4343 -33.4136 -33.4136 -33.3927 -33.3927 -14.7600 -14.7600 -14.6939 -14.6939 -14.6470 -14.6470 -14.4220 -14.4220 -14.3250 -14.3250 -14.3241 -14.3241 -14.3106 -14.3106 -14.2905 -14.2905 -14.2107 -14.2107 0.1543 0.1543 0.1767 0.1767 1.9392 1.9392 1.9680 1.9680 1.9681 1.9681 3.0067 3.0067 5.0665 5.0665 7.7713 7.7713 8.2753 8.2753 8.5509 8.5509 9.4034 9.4034 9.7725 9.7725 9.9615 9.9615 k = 0.5000 0.5000-0.0000 ( 4260 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7280 -14.7280 -14.7215 -14.7215 -14.6954 -14.6954 -14.3798 -14.3798 -14.3751 -14.3751 -14.3215 -14.3215 -14.3172 -14.3172 -14.2345 -14.2345 -14.2266 -14.2266 0.1708 0.1708 0.1759 0.1759 1.9368 1.9368 1.9721 1.9721 2.0311 2.0311 3.5222 3.5222 6.1543 6.1543 6.3957 6.3957 7.1997 7.1997 8.4225 8.4225 9.2558 9.2558 9.6003 9.6003 9.6305 9.6305 k = 0.5000 0.5000 0.0156 ( 4248 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7282 -14.7282 -14.7215 -14.7215 -14.6954 -14.6954 -14.3797 -14.3797 -14.3754 -14.3754 -14.3214 -14.3214 -14.3168 -14.3168 -14.2344 -14.2344 -14.2265 -14.2265 0.1708 0.1708 0.1759 0.1759 1.9366 1.9366 1.9722 1.9722 2.0310 2.0310 3.5223 3.5223 6.1561 6.1561 6.3975 6.3975 7.2008 7.2008 8.4208 8.4208 9.2541 9.2541 9.5967 9.5967 9.6273 9.6273 k = 0.5000 0.5000 0.0312 ( 4236 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7288 -14.7288 -14.7215 -14.7215 -14.6957 -14.6957 -14.3794 -14.3794 -14.3765 -14.3765 -14.3211 -14.3211 -14.3159 -14.3159 -14.2341 -14.2341 -14.2262 -14.2262 0.1708 0.1708 0.1757 0.1757 1.9362 1.9362 1.9723 1.9723 2.0307 2.0307 3.5226 3.5226 6.1614 6.1614 6.4030 6.4030 7.2042 7.2042 8.4155 8.4155 9.2488 9.2488 9.5857 9.5857 9.6176 9.6176 k = 0.5000 0.5000 0.0469 ( 4244 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7299 -14.7299 -14.7217 -14.7217 -14.6961 -14.6961 -14.3789 -14.3789 -14.3783 -14.3783 -14.3206 -14.3206 -14.3145 -14.3145 -14.2336 -14.2336 -14.2258 -14.2258 0.1706 0.1706 0.1755 0.1755 1.9356 1.9356 1.9726 1.9726 2.0302 2.0302 3.5231 3.5231 6.1702 6.1702 6.4121 6.4121 7.2099 7.2099 8.4067 8.4067 9.2402 9.2402 9.5678 9.5678 9.6017 9.6017 k = 0.5000 0.5000 0.0625 ( 4236 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7312 -14.7312 -14.7218 -14.7218 -14.6967 -14.6967 -14.3807 -14.3807 -14.3783 -14.3783 -14.3198 -14.3198 -14.3127 -14.3127 -14.2328 -14.2328 -14.2251 -14.2251 0.1704 0.1704 0.1753 0.1753 1.9347 1.9347 1.9730 1.9730 2.0294 2.0294 3.5237 3.5237 6.1825 6.1825 6.4248 6.4248 7.2179 7.2179 8.3946 8.3946 9.2283 9.2283 9.5434 9.5434 9.5801 9.5801 k = 0.5000 0.5000 0.0781 ( 4228 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7330 -14.7330 -14.7220 -14.7220 -14.6975 -14.6975 -14.3834 -14.3834 -14.3774 -14.3774 -14.3189 -14.3189 -14.3107 -14.3107 -14.2319 -14.2319 -14.2243 -14.2243 0.1702 0.1702 0.1749 0.1749 1.9335 1.9335 1.9735 1.9735 2.0285 2.0285 3.5246 3.5246 6.1982 6.1982 6.4411 6.4411 7.2281 7.2281 8.3792 8.3792 9.2133 9.2133 9.5131 9.5131 9.5530 9.5530 k = 0.5000 0.5000 0.0937 ( 4236 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7351 -14.7351 -14.7223 -14.7223 -14.6984 -14.6984 -14.3865 -14.3865 -14.3765 -14.3765 -14.3178 -14.3178 -14.3085 -14.3085 -14.2308 -14.2308 -14.2234 -14.2234 0.1700 0.1700 0.1745 0.1745 1.9321 1.9321 1.9741 1.9741 2.0274 2.0274 3.5256 3.5256 6.2173 6.2173 6.4610 6.4610 7.2405 7.2405 8.3607 8.3607 9.1955 9.1955 9.4774 9.4774 9.5209 9.5209 k = 0.5000 0.5000 0.1094 ( 4236 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -33.4134 -14.7375 -14.7375 -14.7226 -14.7226 -14.6995 -14.6995 -14.3898 -14.3898 -14.3754 -14.3754 -14.3166 -14.3166 -14.3062 -14.3062 -14.2294 -14.2294 -14.2223 -14.2223 0.1696 0.1696 0.1740 0.1740 1.9305 1.9305 1.9748 1.9748 2.0262 2.0262 3.5269 3.5269 6.2398 6.2398 6.4843 6.4843 7.2550 7.2550 8.3394 8.3394 9.1750 9.1750 9.4369 9.4369 9.4844 9.4844 k = 0.5000 0.5000 0.1250 ( 4228 PWs) bands (ev): -33.4134 -33.4134 -33.4133 -33.4133 -33.4133 -33.4133 -14.7401 -14.7401 -14.7229 -14.7229 -14.7007 -14.7007 -14.3932 -14.3932 -14.3742 -14.3742 -14.3152 -14.3152 -14.3038 -14.3038 -14.2279 -14.2279 -14.2210 -14.2210 0.1693 0.1693 0.1734 0.1734 1.9286 1.9286 1.9755 1.9755 2.0248 2.0248 3.5283 3.5283 6.2656 6.2656 6.5110 6.5110 7.2716 7.2716 8.3155 8.3155 9.1521 9.1521 9.3923 9.3923 9.4439 9.4439 k = 0.5000 0.5000 0.1406 ( 4244 PWs) bands (ev): -33.4134 -33.4134 -33.4134 -33.4134 -33.4133 -33.4133 -14.7431 -14.7431 -14.7233 -14.7233 -14.7021 -14.7021 -14.3968 -14.3968 -14.3730 -14.3730 -14.3136 -14.3136 -14.3016 -14.3016 -14.2262 -14.2262 -14.2197 -14.2197 0.1689 0.1689 0.1728 0.1728 1.9265 1.9265 1.9764 1.9764 2.0234 2.0234 3.5299 3.5299 6.2947 6.2947 6.5411 6.5411 7.2902 7.2902 8.2891 8.2891 9.1271 9.1271 9.3441 9.3441 9.4000 9.4000 k = 0.5000 0.5000 0.1562 ( 4252 PWs) bands (ev): -33.4134 -33.4134 -33.4133 -33.4133 -33.4133 -33.4133 -14.7462 -14.7462 -14.7237 -14.7237 -14.7036 -14.7036 -14.4004 -14.4004 -14.3717 -14.3717 -14.3120 -14.3120 -14.2995 -14.2995 -14.2244 -14.2244 -14.2182 -14.2182 0.1684 0.1684 0.1721 0.1721 1.9242 1.9242 1.9774 1.9774 2.0218 2.0218 3.5317 3.5317 6.3268 6.3268 6.5745 6.5745 7.3108 7.3108 8.2607 8.2607 9.1002 9.1002 9.2925 9.2925 9.3528 9.3528 k = 0.5000 0.5000 0.1719 ( 4252 PWs) bands (ev): -33.4134 -33.4134 -33.4133 -33.4133 -33.4133 -33.4133 -14.7494 -14.7494 -14.7241 -14.7241 -14.7052 -14.7052 -14.4040 -14.4040 -14.3703 -14.3703 -14.3102 -14.3102 -14.2975 -14.2975 -14.2223 -14.2223 -14.2165 -14.2165 0.1680 0.1680 0.1714 0.1714 1.9218 1.9218 1.9784 1.9784 2.0202 2.0202 3.5337 3.5337 6.3621 6.3621 6.6111 6.6111 7.3332 7.3332 8.2305 8.2305 9.0717 9.0717 9.2382 9.2382 9.3029 9.3029 k = 0.5000 0.5000 0.1875 ( 4236 PWs) bands (ev): -33.4134 -33.4134 -33.4133 -33.4133 -33.4133 -33.4133 -14.7527 -14.7527 -14.7246 -14.7246 -14.7069 -14.7069 -14.4075 -14.4075 -14.3689 -14.3689 -14.3083 -14.3083 -14.2955 -14.2955 -14.2202 -14.2202 -14.2148 -14.2148 0.1675 0.1675 0.1706 0.1706 1.9191 1.9191 1.9795 1.9795 2.0185 2.0185 3.5359 3.5359 6.4003 6.4003 6.6508 6.6508 7.3575 7.3575 8.1988 8.1988 9.0419 9.0419 9.1814 9.1814 9.2506 9.2506 k = 0.5000 0.5000 0.2031 ( 4240 PWs) bands (ev): -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -14.7561 -14.7561 -14.7250 -14.7250 -14.7086 -14.7086 -14.4110 -14.4110 -14.3675 -14.3675 -14.3065 -14.3065 -14.2938 -14.2938 -14.2179 -14.2179 -14.2130 -14.2130 0.1669 0.1669 0.1698 0.1698 1.9163 1.9163 1.9806 1.9806 2.0169 2.0169 3.5382 3.5382 6.4414 6.4414 6.6935 6.6935 7.3834 7.3834 8.1660 8.1660 9.0108 9.0108 9.1223 9.1223 9.1960 9.1960 k = 0.5000 0.5000 0.2187 ( 4240 PWs) bands (ev): -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -14.7596 -14.7596 -14.7255 -14.7255 -14.7104 -14.7104 -14.4144 -14.4144 -14.3662 -14.3662 -14.3045 -14.3045 -14.2922 -14.2922 -14.2156 -14.2156 -14.2111 -14.2111 0.1664 0.1664 0.1690 0.1690 1.9134 1.9134 1.9818 1.9818 2.0152 2.0152 3.5407 3.5407 6.4852 6.4852 6.7390 6.7390 7.4108 7.4108 8.1323 8.1323 8.9787 8.9787 9.0613 9.0613 9.1393 9.1393 k = 0.5000 0.5000 0.2344 ( 4240 PWs) bands (ev): -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -14.7631 -14.7631 -14.7261 -14.7261 -14.7122 -14.7122 -14.4177 -14.4177 -14.3649 -14.3649 -14.3025 -14.3025 -14.2907 -14.2907 -14.2132 -14.2132 -14.2092 -14.2092 0.1658 0.1658 0.1682 0.1682 1.9105 1.9105 1.9831 1.9831 2.0136 2.0136 3.5434 3.5434 6.5316 6.5316 6.7874 6.7874 7.4397 7.4397 8.0982 8.0982 8.9459 8.9459 8.9986 8.9986 9.0809 9.0809 k = 0.5000 0.5000 0.2500 ( 4244 PWs) bands (ev): -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -14.7665 -14.7665 -14.7266 -14.7266 -14.7141 -14.7141 -14.4208 -14.4208 -14.3636 -14.3636 -14.3005 -14.3005 -14.2894 -14.2894 -14.2108 -14.2108 -14.2073 -14.2073 0.1652 0.1652 0.1674 0.1674 1.9074 1.9074 1.9843 1.9843 2.0120 2.0120 3.5461 3.5461 6.5805 6.5805 6.8384 6.8384 7.4699 7.4699 8.0640 8.0640 8.9124 8.9124 8.9343 8.9343 9.0208 9.0208 k = 0.5000 0.5000 0.2656 ( 4228 PWs) bands (ev): -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -14.7699 -14.7699 -14.7271 -14.7271 -14.7158 -14.7158 -14.4238 -14.4238 -14.3623 -14.3623 -14.2985 -14.2985 -14.2882 -14.2882 -14.2084 -14.2084 -14.2053 -14.2053 0.1646 0.1646 0.1665 0.1665 1.9044 1.9044 1.9856 1.9856 2.0104 2.0104 3.5490 3.5490 6.6316 6.6316 6.8920 6.8920 7.5012 7.5012 8.0301 8.0301 8.8686 8.8686 8.8783 8.8783 8.9593 8.9593 k = 0.5000 0.5000 0.2812 ( 4232 PWs) bands (ev): -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -14.7732 -14.7732 -14.7276 -14.7276 -14.7176 -14.7176 -14.4267 -14.4267 -14.3612 -14.3612 -14.2966 -14.2966 -14.2872 -14.2872 -14.2060 -14.2060 -14.2033 -14.2033 0.1640 0.1640 0.1657 0.1657 1.9013 1.9013 1.9869 1.9869 2.0089 2.0089 3.5519 3.5519 6.6849 6.6849 6.9480 6.9480 7.5335 7.5335 7.9968 7.9968 8.8017 8.8017 8.8437 8.8437 8.8966 8.8966 k = 0.5000 0.5000 0.2969 ( 4240 PWs) bands (ev): -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -33.4133 -14.7764 -14.7764 -14.7282 -14.7282 -14.7194 -14.7194 -14.4294 -14.4294 -14.3601 -14.3601 -14.2947 -14.2947 -14.2863 -14.2863 -14.2037 -14.2037 -14.2014 -14.2014 0.1634 0.1634 0.1649 0.1649 1.8983 1.8983 1.9882 1.9882 2.0075 2.0075 3.5548 3.5548 6.7401 6.7401 7.0063 7.0063 7.5665 7.5665 7.9645 7.9645 8.7338 8.7338 8.8075 8.8075 8.8340 8.8340 k = 0.5000 0.5000 0.3125 ( 4224 PWs) bands (ev): -33.4133 -33.4133 -33.4132 -33.4132 -33.4132 -33.4132 -14.7795 -14.7795 -14.7287 -14.7287 -14.7211 -14.7211 -14.4319 -14.4319 -14.3591 -14.3591 -14.2929 -14.2929 -14.2854 -14.2854 -14.2014 -14.2014 -14.1995 -14.1995 0.1628 0.1628 0.1641 0.1641 1.8954 1.8954 1.9894 1.9894 2.0061 2.0061 3.5578 3.5578 6.7969 6.7969 7.0667 7.0667 7.6001 7.6001 7.9336 7.9336 8.6650 8.6650 8.7597 8.7597 8.7818 8.7818 k = 0.5000 0.5000 0.3281 ( 4232 PWs) bands (ev): -33.4133 -33.4133 -33.4132 -33.4132 -33.4132 -33.4132 -14.7824 -14.7824 -14.7292 -14.7292 -14.7227 -14.7227 -14.4343 -14.4343 -14.3581 -14.3581 -14.2912 -14.2912 -14.2846 -14.2846 -14.1993 -14.1993 -14.1977 -14.1977 0.1623 0.1623 0.1633 0.1633 1.8925 1.8925 1.9906 1.9906 2.0049 2.0049 3.5607 3.5607 6.8551 6.8551 7.1291 7.1291 7.6340 7.6340 7.9044 7.9044 8.5954 8.5954 8.6957 8.6957 8.7449 8.7449 k = 0.5000 0.5000 0.3437 ( 4228 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7851 -14.7851 -14.7296 -14.7296 -14.7242 -14.7242 -14.4364 -14.4364 -14.3573 -14.3573 -14.2896 -14.2896 -14.2840 -14.2840 -14.1973 -14.1973 -14.1960 -14.1960 0.1617 0.1617 0.1626 0.1626 1.8898 1.8898 1.9917 1.9917 2.0037 2.0037 3.5635 3.5635 6.9143 6.9143 7.1933 7.1933 7.6679 7.6679 7.8774 7.8774 8.5253 8.5253 8.6283 8.6283 8.7107 8.7107 k = 0.5000 0.5000 0.3594 ( 4236 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7877 -14.7877 -14.7301 -14.7301 -14.7257 -14.7257 -14.4384 -14.4384 -14.3565 -14.3565 -14.2881 -14.2881 -14.2835 -14.2835 -14.1955 -14.1955 -14.1944 -14.1944 0.1612 0.1612 0.1619 0.1619 1.8873 1.8873 1.9928 1.9928 2.0026 2.0026 3.5663 3.5663 6.9740 6.9740 7.2592 7.2592 7.7015 7.7015 7.8531 7.8531 8.4548 8.4548 8.5594 8.5594 8.6776 8.6776 k = 0.5000 0.5000 0.3750 ( 4252 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7900 -14.7900 -14.7305 -14.7305 -14.7270 -14.7270 -14.4402 -14.4402 -14.3559 -14.3559 -14.2868 -14.2868 -14.2830 -14.2830 -14.1938 -14.1938 -14.1930 -14.1930 0.1607 0.1607 0.1613 0.1613 1.8849 1.8849 1.9938 1.9938 2.0016 2.0016 3.5689 3.5689 7.0338 7.0338 7.3267 7.3267 7.7343 7.7343 7.8318 7.8318 8.3843 8.3843 8.4894 8.4894 8.6456 8.6456 k = 0.5000 0.5000 0.3906 ( 4252 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7921 -14.7921 -14.7309 -14.7309 -14.7282 -14.7282 -14.4418 -14.4418 -14.3552 -14.3552 -14.2855 -14.2855 -14.2826 -14.2826 -14.1922 -14.1922 -14.1916 -14.1916 0.1603 0.1603 0.1607 0.1607 1.8828 1.8828 1.9947 1.9947 2.0008 2.0008 3.5713 3.5713 7.0929 7.0929 7.3955 7.3955 7.7661 7.7661 7.8144 7.8144 8.3141 8.3141 8.4185 8.4185 8.6151 8.6151 k = 0.5000 0.5000 0.4062 ( 4248 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7939 -14.7939 -14.7312 -14.7312 -14.7292 -14.7292 -14.4431 -14.4431 -14.3547 -14.3547 -14.2844 -14.2844 -14.2822 -14.2822 -14.1908 -14.1908 -14.1904 -14.1904 0.1599 0.1599 0.1602 0.1602 1.8809 1.8809 1.9955 1.9955 2.0000 2.0000 3.5734 3.5734 7.1503 7.1503 7.4655 7.4655 7.7960 7.7960 7.8014 7.8014 8.2445 8.2445 8.3468 8.3468 8.5864 8.5864 k = 0.5000 0.5000 0.4219 ( 4248 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7955 -14.7955 -14.7315 -14.7315 -14.7301 -14.7301 -14.4443 -14.4443 -14.3542 -14.3542 -14.2834 -14.2834 -14.2819 -14.2819 -14.1897 -14.1897 -14.1894 -14.1894 0.1596 0.1596 0.1598 0.1598 1.8793 1.8793 1.9962 1.9962 1.9994 1.9994 3.5753 3.5753 7.2047 7.2047 7.5365 7.5365 7.7939 7.7939 7.8236 7.8236 8.1761 8.1761 8.2745 8.2745 8.5600 8.5600 k = 0.5000 0.5000 0.4375 ( 4248 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7968 -14.7968 -14.7318 -14.7318 -14.7309 -14.7309 -14.4452 -14.4452 -14.3539 -14.3539 -14.2827 -14.2827 -14.2817 -14.2817 -14.1887 -14.1887 -14.1885 -14.1885 0.1593 0.1593 0.1595 0.1595 1.8779 1.8779 1.9968 1.9968 1.9989 1.9989 3.5769 3.5769 7.2542 7.2542 7.6083 7.6083 7.7932 7.7932 7.8481 7.8481 8.1095 8.1095 8.2017 8.2017 8.5367 8.5367 k = 0.5000 0.5000 0.4531 ( 4248 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7978 -14.7978 -14.7320 -14.7320 -14.7315 -14.7315 -14.4460 -14.4460 -14.3536 -14.3536 -14.2821 -14.2821 -14.2815 -14.2815 -14.1879 -14.1879 -14.1878 -14.1878 0.1591 0.1591 0.1592 0.1592 1.8768 1.8768 1.9973 1.9973 1.9984 1.9984 3.5782 3.5782 7.2966 7.2966 7.6806 7.6806 7.8006 7.8006 7.8685 7.8685 8.0457 8.0457 8.1287 8.1287 8.5173 8.5173 k = 0.5000 0.5000 0.4687 ( 4248 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7985 -14.7985 -14.7321 -14.7321 -14.7319 -14.7319 -14.4465 -14.4465 -14.3534 -14.3534 -14.2816 -14.2816 -14.2814 -14.2814 -14.1874 -14.1874 -14.1873 -14.1873 0.1589 0.1589 0.1590 0.1590 1.8760 1.8760 1.9976 1.9976 1.9981 1.9981 3.5792 3.5792 7.3293 7.3293 7.7530 7.7530 7.8177 7.8177 7.8838 7.8838 7.9859 7.9859 8.0560 8.0560 8.5026 8.5026 k = 0.5000 0.5000 0.4844 ( 4248 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7989 -14.7989 -14.7322 -14.7322 -14.7321 -14.7321 -14.4468 -14.4468 -14.3533 -14.3533 -14.2814 -14.2814 -14.2813 -14.2813 -14.1871 -14.1871 -14.1870 -14.1870 0.1588 0.1588 0.1588 0.1588 1.8756 1.8756 1.9978 1.9978 1.9980 1.9980 3.5797 3.5797 7.3501 7.3501 7.8239 7.8239 7.8450 7.8450 7.8931 7.8931 7.9318 7.9318 7.9852 7.9852 8.4933 8.4933 k = 0.5000 0.5000 0.5000 ( 4224 PWs) bands (ev): -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -33.4132 -14.7991 -14.7991 -14.7322 -14.7322 -14.7322 -14.7322 -14.4469 -14.4469 -14.3532 -14.3532 -14.2812 -14.2812 -14.2812 -14.2812 -14.1869 -14.1869 -14.1869 -14.1869 0.1588 0.1588 0.1588 0.1588 1.8754 1.8754 1.9979 1.9979 1.9979 1.9979 3.5799 3.5799 7.3571 7.3571 7.8757 7.8757 7.8757 7.8757 7.8920 7.8920 7.8920 7.8920 7.9378 7.9378 8.4902 8.4902 Writing output data file Ca3Hg.save init_run : 0.40s CPU 0.70s WALL ( 1 calls) electrons : 236.58s CPU 240.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 236.57s CPU 240.67s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 250 calls) cegterg : 223.33s CPU 226.19s WALL ( 668 calls) Called by sum_band: Called by *egterg: h_psi : 119.58s CPU 121.53s WALL ( 12868 calls) s_psi : 6.59s CPU 6.68s WALL ( 12868 calls) g_psi : 0.40s CPU 0.33s WALL ( 11950 calls) cdiaghg : 82.56s CPU 83.60s WALL ( 12200 calls) cegterg:over : 7.66s CPU 7.67s WALL ( 11950 calls) cegterg:upda : 7.88s CPU 7.86s WALL ( 11950 calls) cegterg:last : 4.06s CPU 4.10s WALL ( 1766 calls) cdiaghg:chol : 4.44s CPU 4.64s WALL ( 12200 calls) cdiaghg:inve : 3.16s CPU 3.09s WALL ( 12200 calls) cdiaghg:para : 4.73s CPU 4.94s WALL ( 24400 calls) Called by h_psi: h_psi:vloc : 104.74s CPU 106.38s WALL ( 12868 calls) h_psi:vnl : 14.56s CPU 14.85s WALL ( 12868 calls) add_vuspsi : 7.62s CPU 7.70s WALL ( 12868 calls) General routines calbec : 6.89s CPU 7.11s WALL ( 12868 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 96.28s CPU 97.73s WALL ( 984508 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.16s WALL ( 500 calls) Parallel routines fft_scatter : 31.03s CPU 31.94s WALL ( 984531 calls) PWSCF : 4m 8.90s CPU 4m43.21s WALL This run was terminated on: 16:38:19 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=