Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:34:24 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: ./Ca3AsCl3.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 71 48 13 2731 1504 229 Max 72 49 14 2738 1519 236 Sum 2585 1741 497 98385 54339 8385 bravais-lattice index = 14 lattice parameter (alat) = 10.8697 a.u. unit-cell volume = 1284.2605 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.869704 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 As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) Cl 7.00 35.45300 Cl( 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= 216 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 -0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 -0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 -0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 -0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512820), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512821), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 Dense grid: 98385 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 54339 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 380, 68) NL pseudopotentials 0.63 Mb ( 190, 218) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2738) G-vector shells 0.00 Mb ( 567) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.58 Mb ( 380, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.45 Mb ( 218, 2, 68) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./Ca3AsCl3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5.0 secs Computing kpt #: 2 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 8.0 secs Computing kpt #: 3 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 10.9 secs Computing kpt #: 4 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 13.9 secs Computing kpt #: 5 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 16.8 secs Computing kpt #: 6 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 19.8 secs Computing kpt #: 7 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 22.7 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.6 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 28.4 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.2 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 34.0 secs Computing kpt #: 12 total cpu time spent up to now is 36.2 secs Computing kpt #: 13 total cpu time spent up to now is 38.6 secs Computing kpt #: 14 total cpu time spent up to now is 41.1 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.8 secs Computing kpt #: 16 total cpu time spent up to now is 46.1 secs Computing kpt #: 17 total cpu time spent up to now is 48.2 secs Computing kpt #: 18 total cpu time spent up to now is 50.2 secs Computing kpt #: 19 total cpu time spent up to now is 52.2 secs Computing kpt #: 20 total cpu time spent up to now is 54.4 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.1 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.7 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.5 secs Computing kpt #: 24 total cpu time spent up to now is 64.1 secs Computing kpt #: 25 total cpu time spent up to now is 65.7 secs Computing kpt #: 26 total cpu time spent up to now is 67.2 secs Computing kpt #: 27 total cpu time spent up to now is 68.7 secs Computing kpt #: 28 total cpu time spent up to now is 70.2 secs Computing kpt #: 29 total cpu time spent up to now is 71.6 secs Computing kpt #: 30 total cpu time spent up to now is 73.1 secs Computing kpt #: 31 total cpu time spent up to now is 74.7 secs Computing kpt #: 32 total cpu time spent up to now is 76.2 secs Computing kpt #: 33 total cpu time spent up to now is 77.7 secs Computing kpt #: 34 total cpu time spent up to now is 79.2 secs Computing kpt #: 35 total cpu time spent up to now is 80.6 secs Computing kpt #: 36 total cpu time spent up to now is 82.0 secs Computing kpt #: 37 total cpu time spent up to now is 83.7 secs Computing kpt #: 38 total cpu time spent up to now is 85.2 secs Computing kpt #: 39 total cpu time spent up to now is 86.7 secs Computing kpt #: 40 total cpu time spent up to now is 88.5 secs Computing kpt #: 41 total cpu time spent up to now is 89.9 secs Computing kpt #: 42 total cpu time spent up to now is 91.3 secs Computing kpt #: 43 total cpu time spent up to now is 92.9 secs Computing kpt #: 44 total cpu time spent up to now is 94.4 secs Computing kpt #: 45 total cpu time spent up to now is 96.0 secs Computing kpt #: 46 total cpu time spent up to now is 97.6 secs Computing kpt #: 47 total cpu time spent up to now is 99.2 secs Computing kpt #: 48 total cpu time spent up to now is 100.7 secs Computing kpt #: 49 total cpu time spent up to now is 102.2 secs Computing kpt #: 50 total cpu time spent up to now is 103.6 secs Computing kpt #: 51 total cpu time spent up to now is 105.2 secs Computing kpt #: 52 total cpu time spent up to now is 106.8 secs Computing kpt #: 53 total cpu time spent up to now is 108.4 secs Computing kpt #: 54 total cpu time spent up to now is 110.5 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.2 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.9 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.6 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.3 secs Computing kpt #: 59 total cpu time spent up to now is 124.0 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.7 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.4 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.1 secs Computing kpt #: 63 total cpu time spent up to now is 133.9 secs Computing kpt #: 64 total cpu time spent up to now is 135.5 secs Computing kpt #: 65 total cpu time spent up to now is 137.0 secs Computing kpt #: 66 total cpu time spent up to now is 138.4 secs Computing kpt #: 67 total cpu time spent up to now is 139.8 secs Computing kpt #: 68 total cpu time spent up to now is 141.2 secs Computing kpt #: 69 total cpu time spent up to now is 143.2 secs Computing kpt #: 70 total cpu time spent up to now is 144.9 secs Computing kpt #: 71 total cpu time spent up to now is 146.6 secs Computing kpt #: 72 total cpu time spent up to now is 148.4 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 151.2 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.9 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.7 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.4 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.2 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.0 secs Computing kpt #: 79 total cpu time spent up to now is 167.3 secs Computing kpt #: 80 total cpu time spent up to now is 169.6 secs Computing kpt #: 81 total cpu time spent up to now is 172.2 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.9 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.6 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.4 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 183.5 secs Computing kpt #: 86 total cpu time spent up to now is 186.3 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.1 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.9 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.8 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.7 secs Computing kpt #: 91 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 200.7 secs Computing kpt #: 92 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 203.6 secs Computing kpt #: 93 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 206.6 secs Computing kpt #: 94 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 209.5 secs Computing kpt #: 95 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 212.5 secs Computing kpt #: 96 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 215.4 secs Computing kpt #: 97 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 218.3 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.0 secs Computing kpt #: 100 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 227.1 secs Computing kpt #: 101 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 230.1 secs Computing kpt #: 102 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 233.0 secs Computing kpt #: 103 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 236.0 secs Computing kpt #: 104 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 238.9 secs Computing kpt #: 105 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 241.8 secs Computing kpt #: 106 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 244.8 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.6 secs Computing kpt #: 108 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 250.5 secs Computing kpt #: 109 total cpu time spent up to now is 252.9 secs Computing kpt #: 110 total cpu time spent up to now is 254.9 secs Computing kpt #: 111 total cpu time spent up to now is 257.1 secs Computing kpt #: 112 total cpu time spent up to now is 259.1 secs Computing kpt #: 113 total cpu time spent up to now is 261.0 secs Computing kpt #: 114 total cpu time spent up to now is 263.2 secs Computing kpt #: 115 total cpu time spent up to now is 265.2 secs Computing kpt #: 116 total cpu time spent up to now is 267.0 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.8 secs Computing kpt #: 118 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 272.8 secs Computing kpt #: 119 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 275.8 secs Computing kpt #: 120 total cpu time spent up to now is 278.7 secs Computing kpt #: 121 total cpu time spent up to now is 280.9 secs Computing kpt #: 122 total cpu time spent up to now is 283.4 secs Computing kpt #: 123 total cpu time spent up to now is 285.4 secs Computing kpt #: 124 total cpu time spent up to now is 287.2 secs Computing kpt #: 125 total cpu time spent up to now is 289.1 secs Computing kpt #: 126 total cpu time spent up to now is 291.0 secs Computing kpt #: 127 total cpu time spent up to now is 293.1 secs Computing kpt #: 128 total cpu time spent up to now is 295.1 secs Computing kpt #: 129 total cpu time spent up to now is 297.0 secs Computing kpt #: 130 total cpu time spent up to now is 299.0 secs Computing kpt #: 131 total cpu time spent up to now is 301.0 secs Computing kpt #: 132 total cpu time spent up to now is 302.9 secs Computing kpt #: 133 total cpu time spent up to now is 305.3 secs Computing kpt #: 134 total cpu time spent up to now is 307.5 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.3 secs Computing kpt #: 136 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 313.2 secs Computing kpt #: 137 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 316.1 secs Computing kpt #: 138 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 319.1 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.9 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 324.6 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.4 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.2 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.0 secs Computing kpt #: 144 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 335.8 secs Computing kpt #: 145 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 338.8 secs Computing kpt #: 146 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 341.7 secs Computing kpt #: 147 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 344.6 secs Computing kpt #: 148 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 347.6 secs Computing kpt #: 149 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 350.5 secs Computing kpt #: 150 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 353.4 secs Computing kpt #: 151 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 356.4 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 359.2 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.0 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 364.7 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.5 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.2 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 373.0 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 375.7 secs Computing kpt #: 159 total cpu time spent up to now is 378.2 secs Computing kpt #: 160 total cpu time spent up to now is 380.8 secs Computing kpt #: 161 total cpu time spent up to now is 383.5 secs Computing kpt #: 162 total cpu time spent up to now is 386.0 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 388.7 secs Computing kpt #: 164 total cpu time spent up to now is 391.0 secs Computing kpt #: 165 total cpu time spent up to now is 393.2 secs Computing kpt #: 166 total cpu time spent up to now is 395.4 secs Computing kpt #: 167 total cpu time spent up to now is 397.7 secs Computing kpt #: 168 total cpu time spent up to now is 400.4 secs Computing kpt #: 169 total cpu time spent up to now is 402.5 secs Computing kpt #: 170 total cpu time spent up to now is 405.2 secs Computing kpt #: 171 total cpu time spent up to now is 407.8 secs Computing kpt #: 172 total cpu time spent up to now is 410.3 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 413.1 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.9 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 418.7 secs Computing kpt #: 176 total cpu time spent up to now is 420.7 secs Computing kpt #: 177 total cpu time spent up to now is 422.9 secs Computing kpt #: 178 total cpu time spent up to now is 425.2 secs Computing kpt #: 179 total cpu time spent up to now is 426.9 secs Computing kpt #: 180 total cpu time spent up to now is 428.5 secs Computing kpt #: 181 total cpu time spent up to now is 429.9 secs Computing kpt #: 182 total cpu time spent up to now is 431.3 secs Computing kpt #: 183 total cpu time spent up to now is 432.8 secs Computing kpt #: 184 total cpu time spent up to now is 434.2 secs Computing kpt #: 185 total cpu time spent up to now is 435.8 secs Computing kpt #: 186 total cpu time spent up to now is 437.3 secs Computing kpt #: 187 total cpu time spent up to now is 438.7 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.4 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 444.1 secs Computing kpt #: 190 total cpu time spent up to now is 446.4 secs Computing kpt #: 191 total cpu time spent up to now is 448.7 secs Computing kpt #: 192 total cpu time spent up to now is 451.1 secs Computing kpt #: 193 total cpu time spent up to now is 453.5 secs Computing kpt #: 194 total cpu time spent up to now is 456.3 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.2 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 462.3 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 465.2 secs Computing kpt #: 198 total cpu time spent up to now is 467.8 secs Computing kpt #: 199 total cpu time spent up to now is 470.1 secs Computing kpt #: 200 total cpu time spent up to now is 473.9 secs Computing kpt #: 201 total cpu time spent up to now is 476.5 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.2 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 481.9 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 484.9 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.6 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.3 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 493.1 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 495.8 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 498.5 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.2 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 504.0 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 508.4 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 511.3 secs Computing kpt #: 214 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 514.2 secs Computing kpt #: 215 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 517.2 secs Computing kpt #: 216 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 520.1 secs ethr = 1.79E-08, avg # of iterations = 92.8 total cpu time spent up to now is 520.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6763 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6723 -16.6723 -16.6723 -16.6723 -16.6351 -16.6351 -16.3261 -16.3261 -16.3261 -16.3261 -16.3132 -16.3132 -16.2480 -16.2480 -16.1945 -16.1945 -16.1945 -16.1945 -10.4815 -10.4815 -10.2803 -10.2803 -10.2803 -10.2803 -3.7959 -3.7959 0.7957 0.7957 0.7957 0.7957 0.8073 0.8073 1.3168 1.3168 1.3168 1.3168 1.3772 1.3772 1.9843 1.9843 2.0645 2.0645 2.0645 2.0645 5.0901 5.0901 5.3074 5.3074 5.3074 5.3074 7.0419 7.0419 7.0423 7.0423 7.0423 7.0423 7.8781 7.8781 9.0163 9.0163 9.0171 9.0177 k = 0.0000 0.0179-0.0000 ( 6771 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6724 -16.6724 -16.6723 -16.6723 -16.6351 -16.6351 -16.3261 -16.3261 -16.3261 -16.3261 -16.3132 -16.3132 -16.2480 -16.2480 -16.1946 -16.1946 -16.1945 -16.1945 -10.4812 -10.4812 -10.2804 -10.2804 -10.2801 -10.2801 -3.7955 -3.7955 0.7956 0.7956 0.7960 0.7960 0.8075 0.8075 1.3156 1.3156 1.3164 1.3164 1.3764 1.3764 1.9837 1.9837 2.0635 2.0635 2.0640 2.0640 5.0867 5.0867 5.3022 5.3022 5.3052 5.3052 7.0428 7.0428 7.0467 7.0467 7.0468 7.0468 7.8827 7.8827 9.0161 9.0161 9.0185 9.0190 k = 0.0000 0.0357-0.0000 ( 6783 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6725 -16.6725 -16.6723 -16.6723 -16.6353 -16.6353 -16.3261 -16.3261 -16.3261 -16.3261 -16.3133 -16.3133 -16.2480 -16.2480 -16.1948 -16.1948 -16.1946 -16.1946 -10.4803 -10.4803 -10.2806 -10.2806 -10.2794 -10.2794 -3.7943 -3.7943 0.7953 0.7953 0.7971 0.7971 0.8080 0.8080 1.3123 1.3123 1.3155 1.3155 1.3743 1.3743 1.9818 1.9818 2.0607 2.0607 2.0627 2.0627 5.0765 5.0765 5.2873 5.2873 5.2986 5.2986 7.0447 7.0447 7.0601 7.0601 7.0603 7.0603 7.8962 7.8962 9.0140 9.0162 9.0262 9.0285 k = 0.0000 0.0536-0.0000 ( 6783 PWs) bands (ev): -35.3767 -35.3767 -35.3673 -35.3673 -35.3672 -35.3672 -16.6725 -16.6725 -16.6722 -16.6722 -16.6354 -16.6354 -16.3262 -16.3262 -16.3261 -16.3261 -16.3134 -16.3134 -16.2479 -16.2479 -16.1950 -16.1950 -16.1947 -16.1947 -10.4788 -10.4788 -10.2809 -10.2809 -10.2783 -10.2783 -3.7923 -3.7923 0.7945 0.7945 0.7989 0.7989 0.8091 0.8091 1.3065 1.3065 1.3139 1.3139 1.3710 1.3710 1.9786 1.9786 2.0562 2.0562 2.0606 2.0606 5.0592 5.0592 5.2638 5.2638 5.2879 5.2879 7.0479 7.0479 7.0820 7.0820 7.0828 7.0828 7.9179 7.9179 9.0086 9.0112 9.0334 9.0343 k = 0.0000 0.0714-0.0000 ( 6779 PWs) bands (ev): -35.3766 -35.3766 -35.3673 -35.3673 -35.3672 -35.3672 -16.6726 -16.6726 -16.6721 -16.6721 -16.6357 -16.6357 -16.3263 -16.3263 -16.3261 -16.3261 -16.3136 -16.3136 -16.2477 -16.2477 -16.1955 -16.1955 -16.1947 -16.1947 -10.4768 -10.4768 -10.2813 -10.2813 -10.2767 -10.2767 -3.7895 -3.7895 0.7930 0.7930 0.8014 0.8014 0.8112 0.8112 1.2982 1.2982 1.3117 1.3117 1.3667 1.3667 1.9742 1.9742 2.0500 2.0500 2.0576 2.0576 5.0342 5.0342 5.2337 5.2337 5.2736 5.2736 7.0523 7.0523 7.1121 7.1121 7.1137 7.1137 7.9467 7.9467 8.9999 9.0001 9.0385 9.0389 k = 0.0000 0.0893-0.0000 ( 6779 PWs) bands (ev): -35.3766 -35.3766 -35.3674 -35.3674 -35.3672 -35.3672 -16.6727 -16.6727 -16.6719 -16.6719 -16.6361 -16.6361 -16.3264 -16.3264 -16.3260 -16.3260 -16.3137 -16.3137 -16.2475 -16.2475 -16.1960 -16.1960 -16.1949 -16.1949 -10.4742 -10.4742 -10.2818 -10.2818 -10.2747 -10.2747 -3.7860 -3.7860 0.7907 0.7907 0.8047 0.8047 0.8141 0.8141 1.2874 1.2874 1.3088 1.3088 1.3617 1.3617 1.9684 1.9684 2.0423 2.0423 2.0538 2.0538 5.0008 5.0008 5.1996 5.1996 5.2559 5.2559 7.0579 7.0579 7.1499 7.1499 7.1524 7.1524 7.9816 7.9816 8.9889 8.9889 9.0432 9.0434 k = 0.0000 0.1071-0.0000 ( 6783 PWs) bands (ev): -35.3765 -35.3765 -35.3674 -35.3674 -35.3672 -35.3672 -16.6728 -16.6728 -16.6717 -16.6717 -16.6365 -16.6365 -16.3266 -16.3266 -16.3260 -16.3260 -16.3140 -16.3140 -16.2472 -16.2472 -16.1967 -16.1967 -16.1950 -16.1950 -10.4710 -10.4710 -10.2825 -10.2825 -10.2724 -10.2724 -3.7818 -3.7818 0.7878 0.7878 0.8086 0.8086 0.8180 0.8180 1.2739 1.2739 1.3053 1.3053 1.3563 1.3563 1.9613 1.9613 2.0335 2.0335 2.0493 2.0493 4.9583 4.9583 5.1640 5.1640 5.2356 5.2356 7.0648 7.0648 7.1950 7.1950 7.1984 7.1984 8.0211 8.0211 8.9756 8.9756 9.0487 9.0488 k = 0.0000 0.1250-0.0000 ( 6787 PWs) bands (ev): -35.3764 -35.3764 -35.3675 -35.3675 -35.3672 -35.3672 -16.6730 -16.6730 -16.6714 -16.6714 -16.6370 -16.6370 -16.3268 -16.3268 -16.3260 -16.3260 -16.3142 -16.3142 -16.2469 -16.2469 -16.1975 -16.1975 -16.1952 -16.1952 -10.4674 -10.4674 -10.2833 -10.2833 -10.2696 -10.2696 -3.7769 -3.7769 0.7843 0.7843 0.8131 0.8131 0.8228 0.8228 1.2581 1.2581 1.3011 1.3011 1.3504 1.3504 1.9528 1.9528 2.0237 2.0237 2.0442 2.0442 4.9071 4.9071 5.1287 5.1287 5.2131 5.2131 7.0727 7.0727 7.2467 7.2467 7.2510 7.2510 8.0641 8.0641 8.9600 8.9600 9.0551 9.0552 k = 0.0000 0.1429-0.0000 ( 6775 PWs) bands (ev): -35.3763 -35.3763 -35.3676 -35.3676 -35.3672 -35.3672 -16.6732 -16.6732 -16.6711 -16.6711 -16.6375 -16.6375 -16.3270 -16.3270 -16.3260 -16.3260 -16.3145 -16.3145 -16.2465 -16.2465 -16.1983 -16.1983 -16.1954 -16.1954 -10.4633 -10.4633 -10.2842 -10.2842 -10.2665 -10.2665 -3.7715 -3.7715 0.7804 0.7804 0.8184 0.8184 0.8283 0.8283 1.2400 1.2400 1.2963 1.2963 1.3441 1.3441 1.9430 1.9430 2.0132 2.0132 2.0385 2.0385 4.8479 4.8479 5.0948 5.0948 5.1890 5.1890 7.0818 7.0818 7.3044 7.3044 7.3095 7.3095 8.1095 8.1095 8.9426 8.9426 9.0623 9.0623 k = 0.0000 0.1607-0.0000 ( 6783 PWs) bands (ev): -35.3762 -35.3762 -35.3677 -35.3677 -35.3672 -35.3672 -16.6734 -16.6734 -16.6708 -16.6708 -16.6381 -16.6381 -16.3272 -16.3272 -16.3260 -16.3260 -16.3148 -16.3148 -16.2462 -16.2462 -16.1992 -16.1992 -16.1956 -16.1956 -10.4588 -10.4588 -10.2853 -10.2853 -10.2632 -10.2632 -3.7655 -3.7655 0.7761 0.7761 0.8242 0.8242 0.8347 0.8347 1.2201 1.2201 1.2908 1.2908 1.3374 1.3374 1.9318 1.9318 2.0023 2.0023 2.0322 2.0322 4.7826 4.7826 5.0623 5.0623 5.1637 5.1637 7.0918 7.0918 7.3675 7.3675 7.3734 7.3734 8.1564 8.1564 8.9233 8.9233 9.0701 9.0702 k = 0.0000 0.1786-0.0000 ( 6783 PWs) bands (ev): -35.3761 -35.3761 -35.3678 -35.3678 -35.3672 -35.3672 -16.6736 -16.6736 -16.6704 -16.6704 -16.6387 -16.6387 -16.3275 -16.3275 -16.3260 -16.3260 -16.3152 -16.3152 -16.2457 -16.2457 -16.2003 -16.2003 -16.1958 -16.1958 -10.4538 -10.4538 -10.2865 -10.2865 -10.2596 -10.2596 -3.7591 -3.7591 0.7715 0.7715 0.8306 0.8306 0.8417 0.8417 1.1986 1.1986 1.2847 1.2847 1.3303 1.3303 1.9193 1.9193 1.9913 1.9913 2.0256 2.0256 4.7130 4.7130 5.0313 5.0313 5.1378 5.1378 7.1028 7.1028 7.4355 7.4355 7.4420 7.4420 8.2042 8.2042 8.9024 8.9024 9.0786 9.0786 k = 0.0000 0.1964-0.0000 ( 6783 PWs) bands (ev): -35.3760 -35.3760 -35.3680 -35.3680 -35.3672 -35.3672 -16.6739 -16.6739 -16.6700 -16.6700 -16.6395 -16.6395 -16.3277 -16.3277 -16.3260 -16.3260 -16.3155 -16.3155 -16.2452 -16.2452 -16.2014 -16.2014 -16.1961 -16.1961 -10.4485 -10.4485 -10.2878 -10.2878 -10.2558 -10.2558 -3.7523 -3.7523 0.7668 0.7668 0.8376 0.8376 0.8495 0.8495 1.1760 1.1760 1.2780 1.2780 1.3228 1.3228 1.9055 1.9055 1.9804 1.9804 2.0186 2.0186 4.6406 4.6406 5.0015 5.0015 5.1117 5.1117 7.1146 7.1146 7.5077 7.5077 7.5147 7.5147 8.2522 8.2522 8.8801 8.8801 9.0877 9.0877 k = 0.0000 0.2143-0.0000 ( 6783 PWs) bands (ev): -35.3758 -35.3758 -35.3681 -35.3681 -35.3672 -35.3672 -16.6741 -16.6741 -16.6695 -16.6695 -16.6402 -16.6402 -16.3280 -16.3280 -16.3260 -16.3260 -16.3158 -16.3158 -16.2447 -16.2447 -16.2026 -16.2026 -16.1963 -16.1963 -10.4428 -10.4428 -10.2894 -10.2894 -10.2518 -10.2518 -3.7452 -3.7452 0.7620 0.7620 0.8450 0.8450 0.8579 0.8579 1.1526 1.1526 1.2705 1.2705 1.3149 1.3149 1.8907 1.8907 1.9696 1.9696 2.0114 2.0114 4.5671 4.5671 4.9730 4.9730 5.0857 5.0857 7.1272 7.1272 7.5836 7.5836 7.5909 7.5909 8.3003 8.3003 8.8567 8.8567 9.0973 9.0973 k = 0.0000 0.2321-0.0000 ( 6799 PWs) bands (ev): -35.3757 -35.3757 -35.3682 -35.3682 -35.3671 -35.3671 -16.6744 -16.6744 -16.6690 -16.6690 -16.6411 -16.6411 -16.3282 -16.3282 -16.3261 -16.3261 -16.3161 -16.3161 -16.2441 -16.2441 -16.2039 -16.2039 -16.1966 -16.1966 -10.4369 -10.4369 -10.2910 -10.2910 -10.2477 -10.2477 -3.7380 -3.7380 0.7572 0.7572 0.8528 0.8528 0.8670 0.8670 1.1288 1.1288 1.2625 1.2625 1.3064 1.3064 1.8752 1.8752 1.9592 1.9592 2.0041 2.0041 4.4935 4.4935 4.9456 4.9456 5.0601 5.0601 7.1403 7.1403 7.6627 7.6627 7.6700 7.6700 8.3482 8.3482 8.8324 8.8324 9.1074 9.1074 k = 0.0000 0.2500-0.0000 ( 6807 PWs) bands (ev): -35.3755 -35.3755 -35.3684 -35.3684 -35.3672 -35.3672 -16.6746 -16.6746 -16.6685 -16.6685 -16.6420 -16.6420 -16.3285 -16.3285 -16.3261 -16.3261 -16.3165 -16.3165 -16.2434 -16.2434 -16.2052 -16.2052 -16.1969 -16.1969 -10.4308 -10.4308 -10.2929 -10.2929 -10.2436 -10.2436 -3.7306 -3.7306 0.7524 0.7524 0.8610 0.8610 0.8767 0.8767 1.1051 1.1051 1.2538 1.2538 1.2976 1.2976 1.8591 1.8591 1.9492 1.9492 1.9967 1.9967 4.4210 4.4210 4.9194 4.9194 5.0353 5.0353 7.1541 7.1541 7.7444 7.7444 7.7516 7.7516 8.3957 8.3957 8.8076 8.8076 9.1180 9.1180 k = 0.0000 0.2679-0.0000 ( 6784 PWs) bands (ev): -35.3754 -35.3754 -35.3685 -35.3685 -35.3671 -35.3671 -16.6749 -16.6749 -16.6679 -16.6679 -16.6429 -16.6429 -16.3287 -16.3287 -16.3262 -16.3262 -16.3167 -16.3167 -16.2427 -16.2427 -16.2065 -16.2065 -16.1971 -16.1971 -10.4244 -10.4244 -10.2950 -10.2950 -10.2394 -10.2394 -3.7232 -3.7232 0.7478 0.7478 0.8693 0.8693 0.8869 0.8869 1.0818 1.0818 1.2445 1.2445 1.2884 1.2884 1.8427 1.8427 1.9396 1.9396 1.9894 1.9894 4.3504 4.3504 4.8946 4.8946 5.0114 5.0114 7.1682 7.1682 7.8281 7.8281 7.8350 7.8350 8.4428 8.4428 8.7825 8.7825 9.1289 9.1289 k = 0.0000 0.2857-0.0000 ( 6780 PWs) bands (ev): -35.3752 -35.3752 -35.3687 -35.3687 -35.3671 -35.3671 -16.6751 -16.6751 -16.6673 -16.6673 -16.6438 -16.6438 -16.3290 -16.3290 -16.3262 -16.3262 -16.3170 -16.3170 -16.2420 -16.2420 -16.2079 -16.2079 -16.1974 -16.1974 -10.4179 -10.4179 -10.2972 -10.2972 -10.2353 -10.2353 -3.7159 -3.7159 0.7434 0.7434 0.8776 0.8776 0.8977 0.8977 1.0593 1.0593 1.2347 1.2347 1.2787 1.2787 1.8263 1.8263 1.9304 1.9304 1.9822 1.9822 4.2825 4.2825 4.8712 4.8712 4.9886 4.9886 7.1825 7.1825 7.9133 7.9133 7.9196 7.9196 8.4894 8.4894 8.7574 8.7574 9.1401 9.1401 k = 0.0000 0.3036-0.0000 ( 6760 PWs) bands (ev): -35.3750 -35.3750 -35.3689 -35.3689 -35.3671 -35.3671 -16.6754 -16.6754 -16.6666 -16.6666 -16.6447 -16.6447 -16.3292 -16.3292 -16.3263 -16.3263 -16.3173 -16.3173 -16.2412 -16.2412 -16.2093 -16.2093 -16.1976 -16.1976 -10.4114 -10.4114 -10.2996 -10.2996 -10.2314 -10.2314 -3.7087 -3.7087 0.7394 0.7394 0.8855 0.8855 0.9090 0.9090 1.0382 1.0382 1.2243 1.2243 1.2688 1.2688 1.8102 1.8102 1.9218 1.9218 1.9753 1.9753 4.2179 4.2179 4.8494 4.8494 4.9672 4.9672 7.1969 7.1969 7.9992 7.9992 8.0047 8.0047 8.5356 8.5356 8.7325 8.7325 9.1514 9.1514 k = 0.0000 0.3214-0.0000 ( 6764 PWs) bands (ev): -35.3748 -35.3748 -35.3690 -35.3690 -35.3671 -35.3671 -16.6756 -16.6756 -16.6659 -16.6659 -16.6457 -16.6457 -16.3294 -16.3294 -16.3264 -16.3264 -16.3175 -16.3175 -16.2404 -16.2404 -16.2107 -16.2107 -16.1979 -16.1979 -10.4047 -10.4047 -10.3023 -10.3023 -10.2275 -10.2275 -3.7019 -3.7019 0.7356 0.7356 0.8927 0.8927 0.9208 0.9208 1.0192 1.0192 1.2134 1.2134 1.2586 1.2586 1.7946 1.7946 1.9137 1.9137 1.9687 1.9687 4.1573 4.1573 4.8291 4.8291 4.9473 4.9473 7.2110 7.2110 8.0853 8.0853 8.0896 8.0896 8.5813 8.5813 8.7083 8.7083 9.1628 9.1628 k = 0.0000 0.3393-0.0000 ( 6764 PWs) bands (ev): -35.3746 -35.3746 -35.3692 -35.3692 -35.3671 -35.3671 -16.6758 -16.6758 -16.6652 -16.6652 -16.6467 -16.6467 -16.3297 -16.3297 -16.3266 -16.3266 -16.3177 -16.3177 -16.2395 -16.2395 -16.2122 -16.2122 -16.1981 -16.1981 -10.3981 -10.3981 -10.3052 -10.3052 -10.2239 -10.2239 -3.6953 -3.6953 0.7322 0.7322 0.8984 0.8984 0.9328 0.9328 1.0031 1.0031 1.2020 1.2020 1.2483 1.2483 1.7798 1.7798 1.9062 1.9062 1.9625 1.9625 4.1010 4.1010 4.8105 4.8105 4.9289 4.9289 7.2249 7.2249 8.1706 8.1706 8.1736 8.1736 8.6265 8.6265 8.6850 8.6850 9.1741 9.1741 k = 0.0000 0.3571-0.0000 ( 6756 PWs) bands (ev): -35.3744 -35.3744 -35.3694 -35.3694 -35.3671 -35.3671 -16.6760 -16.6760 -16.6645 -16.6645 -16.6476 -16.6476 -16.3299 -16.3299 -16.3266 -16.3266 -16.3179 -16.3179 -16.2386 -16.2386 -16.2136 -16.2136 -16.1983 -16.1983 -10.3915 -10.3915 -10.3083 -10.3083 -10.2205 -10.2205 -3.6892 -3.6892 0.7291 0.7291 0.9016 0.9016 0.9452 0.9452 0.9910 0.9910 1.1903 1.1903 1.2380 1.2380 1.7658 1.7658 1.8993 1.8993 1.9568 1.9568 4.0496 4.0496 4.7937 4.7937 4.9123 4.9123 7.2381 7.2381 8.2543 8.2543 8.2557 8.2557 8.6630 8.6630 8.6712 8.6712 9.1851 9.1851 k = 0.0000 0.3750-0.0000 ( 6760 PWs) bands (ev): -35.3743 -35.3743 -35.3696 -35.3696 -35.3671 -35.3671 -16.6762 -16.6762 -16.6638 -16.6638 -16.6486 -16.6486 -16.3301 -16.3301 -16.3268 -16.3268 -16.3181 -16.3181 -16.2377 -16.2377 -16.2149 -16.2149 -16.1985 -16.1985 -10.3849 -10.3849 -10.3116 -10.3116 -10.2174 -10.2174 -3.6836 -3.6836 0.7265 0.7265 0.9013 0.9013 0.9578 0.9578 0.9840 0.9840 1.1783 1.1783 1.2278 1.2278 1.7530 1.7530 1.8931 1.8931 1.9516 1.9516 4.0034 4.0034 4.7787 4.7787 4.8974 4.8974 7.2505 7.2505 8.3347 8.3347 8.3351 8.3351 8.6426 8.6426 8.7153 8.7153 9.1957 9.1957 k = 0.0000 0.3929-0.0000 ( 6760 PWs) bands (ev): -35.3741 -35.3741 -35.3698 -35.3698 -35.3671 -35.3671 -16.6764 -16.6764 -16.6630 -16.6630 -16.6496 -16.6496 -16.3302 -16.3302 -16.3269 -16.3269 -16.3182 -16.3182 -16.2368 -16.2368 -16.2163 -16.2163 -16.1987 -16.1987 -10.3785 -10.3785 -10.3151 -10.3151 -10.2146 -10.2146 -3.6786 -3.6786 0.7243 0.7243 0.8975 0.8975 0.9704 0.9704 0.9821 0.9821 1.1661 1.1661 1.2180 1.2180 1.7415 1.7415 1.8877 1.8877 1.9470 1.9470 3.9627 3.9627 4.7656 4.7656 4.8844 4.8844 7.2619 7.2619 8.4092 8.4092 8.4119 8.4119 8.6241 8.6241 8.7587 8.7587 9.2057 9.2064 k = 0.0000 0.4107-0.0000 ( 6768 PWs) bands (ev): -35.3739 -35.3739 -35.3699 -35.3699 -35.3671 -35.3671 -16.6766 -16.6766 -16.6623 -16.6623 -16.6506 -16.6506 -16.3304 -16.3304 -16.3270 -16.3270 -16.3183 -16.3183 -16.2358 -16.2358 -16.2176 -16.2176 -16.1988 -16.1988 -10.3722 -10.3722 -10.3189 -10.3189 -10.2122 -10.2122 -3.6743 -3.6743 0.7224 0.7224 0.8914 0.8914 0.9829 0.9829 0.9840 0.9840 1.1540 1.1540 1.2088 1.2088 1.7315 1.7315 1.8830 1.8830 1.9430 1.9430 3.9278 3.9278 4.7544 4.7544 4.8733 4.8733 7.2720 7.2720 8.4778 8.4778 8.4828 8.4828 8.6078 8.6078 8.8013 8.8013 9.2107 9.2107 k = 0.0000 0.4286-0.0000 ( 6760 PWs) bands (ev): -35.3738 -35.3738 -35.3701 -35.3701 -35.3671 -35.3671 -16.6767 -16.6767 -16.6615 -16.6615 -16.6515 -16.6515 -16.3305 -16.3305 -16.3270 -16.3270 -16.3184 -16.3184 -16.2350 -16.2350 -16.2188 -16.2188 -16.1990 -16.1990 -10.3661 -10.3661 -10.3229 -10.3229 -10.2102 -10.2102 -3.6707 -3.6707 0.7209 0.7209 0.8848 0.8848 0.9878 0.9878 0.9950 0.9950 1.1423 1.1423 1.2005 1.2005 1.7231 1.7231 1.8791 1.8791 1.9397 1.9397 3.8989 3.8989 4.7452 4.7452 4.8642 4.8642 7.2806 7.2806 8.5385 8.5385 8.5460 8.5460 8.5940 8.5940 8.8429 8.8429 9.1774 9.1774 k = 0.0000 0.4464-0.0000 ( 6788 PWs) bands (ev): -35.3737 -35.3737 -35.3702 -35.3702 -35.3671 -35.3671 -16.6768 -16.6768 -16.6608 -16.6608 -16.6524 -16.6524 -16.3307 -16.3307 -16.3272 -16.3272 -16.3185 -16.3185 -16.2342 -16.2342 -16.2199 -16.2199 -16.1991 -16.1991 -10.3603 -10.3603 -10.3271 -10.3271 -10.2086 -10.2086 -3.6678 -3.6678 0.7198 0.7198 0.8787 0.8787 0.9921 0.9921 1.0061 1.0061 1.1314 1.1314 1.1934 1.1934 1.7164 1.7164 1.8761 1.8761 1.9371 1.9371 3.8763 3.8763 4.7380 4.7380 4.8570 4.8570 7.2876 7.2876 8.5829 8.5829 8.5893 8.5893 8.5991 8.5991 8.8828 8.8828 9.1437 9.1437 k = 0.0000 0.4643-0.0000 ( 6788 PWs) bands (ev): -35.3736 -35.3736 -35.3703 -35.3703 -35.3671 -35.3671 -16.6769 -16.6769 -16.6602 -16.6602 -16.6531 -16.6531 -16.3308 -16.3308 -16.3272 -16.3272 -16.3185 -16.3185 -16.2335 -16.2335 -16.2208 -16.2208 -16.1991 -16.1991 -10.3549 -10.3549 -10.3313 -10.3313 -10.2074 -10.2074 -3.6657 -3.6657 0.7190 0.7190 0.8740 0.8740 0.9959 0.9959 1.0157 1.0157 1.1220 1.1220 1.1879 1.1879 1.7115 1.7115 1.8739 1.8739 1.9352 1.9352 3.8600 3.8600 4.7329 4.7329 4.8519 4.8519 7.2927 7.2927 8.5749 8.5749 8.6275 8.6275 8.6395 8.6395 8.9201 8.9201 9.1110 9.1110 k = 0.0000 0.4821-0.0000 ( 6816 PWs) bands (ev): -35.3735 -35.3735 -35.3703 -35.3703 -35.3671 -35.3671 -16.6771 -16.6771 -16.6597 -16.6597 -16.6536 -16.6536 -16.3308 -16.3308 -16.3274 -16.3274 -16.3185 -16.3185 -16.2331 -16.2331 -16.2214 -16.2214 -16.1992 -16.1992 -10.3502 -10.3502 -10.3352 -10.3352 -10.2067 -10.2067 -3.6645 -3.6645 0.7185 0.7185 0.8710 0.8710 0.9984 0.9984 1.0224 1.0224 1.1154 1.1154 1.1845 1.1845 1.7086 1.7086 1.8726 1.8726 1.9341 1.9341 3.8502 3.8502 4.7298 4.7298 4.8488 4.8488 7.2958 7.2958 8.5701 8.5701 8.6515 8.6515 8.6649 8.6649 8.9510 8.9510 9.0827 9.0827 k = 0.0000 0.5000-0.0000 ( 6816 PWs) bands (ev): -35.3735 -35.3735 -35.3704 -35.3704 -35.3671 -35.3671 -16.6771 -16.6771 -16.6596 -16.6596 -16.6538 -16.6538 -16.3308 -16.3308 -16.3274 -16.3274 -16.3186 -16.3186 -16.2330 -16.2330 -16.2216 -16.2216 -16.1992 -16.1992 -10.3479 -10.3479 -10.3372 -10.3372 -10.2065 -10.2065 -3.6640 -3.6640 0.7184 0.7184 0.8700 0.8700 0.9993 0.9993 1.0248 1.0248 1.1129 1.1129 1.1833 1.1833 1.7076 1.7076 1.8721 1.8721 1.9337 1.9337 3.8470 3.8470 4.7287 4.7287 4.8478 4.8478 7.2969 7.2969 8.5684 8.5684 8.6597 8.6597 8.6736 8.6736 8.9650 8.9650 9.0696 9.0696 k = 0.0000 0.5000-0.0000 ( 6816 PWs) bands (ev): -35.3735 -35.3735 -35.3704 -35.3704 -35.3671 -35.3671 -16.6771 -16.6771 -16.6596 -16.6596 -16.6538 -16.6538 -16.3308 -16.3308 -16.3274 -16.3274 -16.3186 -16.3186 -16.2330 -16.2330 -16.2216 -16.2216 -16.1992 -16.1992 -10.3479 -10.3479 -10.3372 -10.3372 -10.2065 -10.2065 -3.6640 -3.6640 0.7184 0.7184 0.8700 0.8700 0.9993 0.9993 1.0248 1.0248 1.1129 1.1129 1.1833 1.1833 1.7076 1.7076 1.8721 1.8721 1.9337 1.9337 3.8470 3.8470 4.7287 4.7287 4.8478 4.8478 7.2969 7.2969 8.5684 8.5684 8.6597 8.6597 8.6736 8.6736 8.9650 8.9650 9.0696 9.0696 k = 0.0179 0.5000-0.0000 ( 6816 PWs) bands (ev): -35.3735 -35.3735 -35.3704 -35.3704 -35.3671 -35.3671 -16.6771 -16.6771 -16.6596 -16.6596 -16.6538 -16.6538 -16.3309 -16.3309 -16.3275 -16.3275 -16.3184 -16.3184 -16.2331 -16.2331 -16.2215 -16.2215 -16.1992 -16.1992 -10.3477 -10.3477 -10.3370 -10.3370 -10.2065 -10.2065 -3.6635 -3.6635 0.7181 0.7181 0.8686 0.8686 0.9985 0.9985 1.0244 1.0244 1.1132 1.1132 1.1834 1.1834 1.7037 1.7037 1.8737 1.8737 1.9346 1.9346 3.8475 3.8475 4.7263 4.7263 4.8453 4.8453 7.3008 7.3008 8.5700 8.5700 8.6606 8.6606 8.6744 8.6744 8.9680 8.9680 9.0722 9.0722 k = 0.0357 0.5000-0.0000 ( 6794 PWs) bands (ev): -35.3735 -35.3735 -35.3704 -35.3704 -35.3671 -35.3671 -16.6770 -16.6770 -16.6598 -16.6598 -16.6538 -16.6538 -16.3312 -16.3312 -16.3278 -16.3278 -16.3178 -16.3178 -16.2333 -16.2333 -16.2214 -16.2214 -16.1991 -16.1991 -10.3470 -10.3470 -10.3364 -10.3364 -10.2064 -10.2064 -3.6621 -3.6621 0.7173 0.7173 0.8647 0.8647 0.9960 0.9960 1.0234 1.0234 1.1142 1.1142 1.1837 1.1837 1.6928 1.6928 1.8774 1.8774 1.9378 1.9378 3.8490 3.8490 4.7192 4.7192 4.8379 4.8379 7.3125 7.3125 8.5748 8.5748 8.6632 8.6632 8.6770 8.6770 8.9768 8.9768 9.0798 9.0798 k = 0.0536 0.5000-0.0000 ( 6786 PWs) bands (ev): -35.3735 -35.3735 -35.3704 -35.3704 -35.3671 -35.3671 -16.6770 -16.6770 -16.6601 -16.6601 -16.6537 -16.6537 -16.3316 -16.3316 -16.3283 -16.3283 -16.3170 -16.3170 -16.2337 -16.2337 -16.2211 -16.2211 -16.1990 -16.1990 -10.3458 -10.3458 -10.3353 -10.3353 -10.2063 -10.2063 -3.6597 -3.6597 0.7160 0.7160 0.8583 0.8583 0.9914 0.9914 1.0223 1.0223 1.1155 1.1155 1.1842 1.1842 1.6765 1.6765 1.8807 1.8807 1.9442 1.9442 3.8514 3.8514 4.7071 4.7071 4.8260 4.8260 7.3318 7.3318 8.5826 8.5826 8.6673 8.6673 8.6816 8.6816 8.9908 8.9908 9.0917 9.0917 k = 0.0714 0.5000-0.0000 ( 6774 PWs) bands (ev): -35.3734 -35.3734 -35.3703 -35.3703 -35.3672 -35.3672 -16.6771 -16.6771 -16.6605 -16.6605 -16.6536 -16.6536 -16.3323 -16.3323 -16.3288 -16.3288 -16.3161 -16.3161 -16.2342 -16.2342 -16.2209 -16.2209 -16.1988 -16.1988 -10.3442 -10.3442 -10.3338 -10.3338 -10.2062 -10.2062 -3.6564 -3.6564 0.7141 0.7141 0.8495 0.8495 0.9844 0.9844 1.0218 1.0218 1.1171 1.1171 1.1847 1.1847 1.6563 1.6563 1.8817 1.8817 1.9544 1.9544 3.8547 3.8547 4.6903 4.6903 4.8101 4.8101 7.3586 7.3586 8.5934 8.5934 8.6729 8.6729 8.6887 8.6887 9.0088 9.0088 9.1071 9.1071 k = 0.0893 0.5000-0.0000 ( 6772 PWs) bands (ev): -35.3734 -35.3734 -35.3703 -35.3703 -35.3672 -35.3672 -16.6771 -16.6771 -16.6610 -16.6610 -16.6534 -16.6534 -16.3332 -16.3332 -16.3292 -16.3292 -16.3150 -16.3150 -16.2349 -16.2349 -16.2206 -16.2206 -16.1986 -16.1986 -10.3421 -10.3421 -10.3320 -10.3320 -10.2061 -10.2061 -3.6522 -3.6522 0.7116 0.7116 0.8384 0.8384 0.9751 0.9751 1.0222 1.0222 1.1187 1.1187 1.1854 1.1854 1.6334 1.6334 1.8799 1.8799 1.9676 1.9676 3.8587 3.8587 4.6686 4.6686 4.7911 4.7911 7.3926 7.3926 8.6070 8.6070 8.6797 8.6797 8.6989 8.6989 9.0297 9.0297 9.1250 9.1250 k = 0.1071 0.5000-0.0000 ( 6760 PWs) bands (ev): -35.3733 -35.3733 -35.3703 -35.3703 -35.3673 -35.3673 -16.6772 -16.6772 -16.6616 -16.6616 -16.6533 -16.6533 -16.3343 -16.3343 -16.3296 -16.3296 -16.3140 -16.3140 -16.2356 -16.2356 -16.2203 -16.2203 -16.1983 -16.1983 -10.3397 -10.3397 -10.3297 -10.3297 -10.2059 -10.2059 -3.6472 -3.6472 0.7085 0.7085 0.8255 0.8255 0.9637 0.9637 1.0236 1.0236 1.1202 1.1202 1.1859 1.1859 1.6086 1.6086 1.8756 1.8756 1.9831 1.9831 3.8633 3.8633 4.6422 4.6422 4.7697 4.7697 7.4333 7.4333 8.6231 8.6231 8.6875 8.6875 8.7127 8.7127 9.0518 9.0518 9.1440 9.1440 k = 0.1250 0.5000-0.0000 ( 6758 PWs) bands (ev): -35.3732 -35.3732 -35.3703 -35.3703 -35.3673 -35.3673 -16.6773 -16.6773 -16.6622 -16.6622 -16.6533 -16.6533 -16.3354 -16.3354 -16.3300 -16.3300 -16.3129 -16.3129 -16.2364 -16.2364 -16.2200 -16.2200 -16.1980 -16.1980 -10.3368 -10.3368 -10.3272 -10.3272 -10.2057 -10.2057 -3.6414 -3.6414 0.7046 0.7046 0.8110 0.8110 0.9503 0.9503 1.0258 1.0258 1.1216 1.1216 1.1864 1.1864 1.5826 1.5826 1.8694 1.8694 1.9998 1.9998 3.8684 3.8684 4.6113 4.6113 4.7466 4.7466 7.4803 7.4803 8.6414 8.6414 8.6967 8.6967 8.7303 8.7303 9.0739 9.0739 9.1633 9.1633 k = 0.1429 0.5000-0.0000 ( 6750 PWs) bands (ev): -35.3732 -35.3732 -35.3703 -35.3703 -35.3674 -35.3674 -16.6774 -16.6774 -16.6629 -16.6629 -16.6532 -16.6532 -16.3366 -16.3366 -16.3303 -16.3303 -16.3119 -16.3119 -16.2372 -16.2372 -16.2198 -16.2198 -16.1977 -16.1977 -10.3337 -10.3337 -10.3243 -10.3243 -10.2055 -10.2055 -3.6349 -3.6349 0.6999 0.6999 0.7954 0.7954 0.9353 0.9353 1.0290 1.0290 1.1227 1.1227 1.1868 1.1868 1.5559 1.5559 1.8616 1.8616 2.0171 2.0171 3.8737 3.8737 4.5763 4.5763 4.7224 4.7224 7.5333 7.5333 8.6611 8.6611 8.7076 8.7076 8.7517 8.7517 9.0948 9.0948 9.1818 9.1818 k = 0.1607 0.5000-0.0000 ( 6746 PWs) bands (ev): -35.3731 -35.3731 -35.3703 -35.3703 -35.3675 -35.3675 -16.6775 -16.6775 -16.6635 -16.6635 -16.6532 -16.6532 -16.3378 -16.3378 -16.3307 -16.3307 -16.3108 -16.3108 -16.2381 -16.2381 -16.2196 -16.2196 -16.1973 -16.1973 -10.3302 -10.3302 -10.3212 -10.3212 -10.2052 -10.2052 -3.6278 -3.6278 0.6943 0.6943 0.7791 0.7791 0.9189 0.9189 1.0328 1.0328 1.1236 1.1236 1.1869 1.1869 1.5288 1.5288 1.8526 1.8526 2.0346 2.0346 3.8791 3.8791 4.5379 4.5379 4.6977 4.6977 7.5917 7.5917 8.6813 8.6813 8.7212 8.7212 8.7770 8.7770 9.1143 9.1143 9.1990 9.1990 k = 0.1786 0.5000-0.0000 ( 6748 PWs) bands (ev): -35.3730 -35.3730 -35.3703 -35.3703 -35.3676 -35.3676 -16.6776 -16.6776 -16.6642 -16.6642 -16.6532 -16.6532 -16.3391 -16.3391 -16.3310 -16.3310 -16.3098 -16.3098 -16.2390 -16.2390 -16.2194 -16.2194 -16.1969 -16.1969 -10.3265 -10.3265 -10.3178 -10.3178 -10.2049 -10.2049 -3.6201 -3.6201 0.6874 0.6874 0.7626 0.7626 0.9014 0.9014 1.0374 1.0374 1.1243 1.1243 1.1868 1.1868 1.5018 1.5018 1.8425 1.8425 2.0520 2.0520 3.8844 3.8844 4.4967 4.4967 4.6727 4.6727 7.6552 7.6552 8.7004 8.7004 8.7385 8.7385 8.8062 8.8062 9.1321 9.1321 9.2147 9.2147 k = 0.1964 0.5000-0.0000 ( 6748 PWs) bands (ev): -35.3729 -35.3729 -35.3703 -35.3703 -35.3677 -35.3677 -16.6778 -16.6778 -16.6649 -16.6649 -16.6533 -16.6533 -16.3403 -16.3403 -16.3314 -16.3314 -16.3089 -16.3089 -16.2398 -16.2398 -16.2193 -16.2193 -16.1965 -16.1965 -10.3225 -10.3225 -10.3143 -10.3143 -10.2045 -10.2045 -3.6119 -3.6119 0.6791 0.6791 0.7466 0.7466 0.8830 0.8830 1.0425 1.0425 1.1247 1.1247 1.1865 1.1865 1.4750 1.4750 1.8316 1.8316 2.0692 2.0692 3.8896 3.8896 4.4536 4.4536 4.6477 4.6477 7.7232 7.7232 8.7176 8.7176 8.7601 8.7601 8.8393 8.8393 9.1487 9.1487 9.2289 9.2289 k = 0.2143 0.5000-0.0000 ( 6758 PWs) bands (ev): -35.3728 -35.3728 -35.3703 -35.3703 -35.3678 -35.3678 -16.6779 -16.6779 -16.6656 -16.6656 -16.6534 -16.6534 -16.3415 -16.3415 -16.3318 -16.3318 -16.3080 -16.3080 -16.2407 -16.2407 -16.2193 -16.2193 -16.1960 -16.1960 -10.3184 -10.3184 -10.3107 -10.3107 -10.2042 -10.2042 -3.6034 -3.6034 0.6690 0.6690 0.7316 0.7316 0.8640 0.8640 1.0481 1.0481 1.1250 1.1250 1.1860 1.1860 1.4488 1.4488 1.8199 1.8199 2.0860 2.0860 3.8945 3.8945 4.4093 4.4093 4.6231 4.6231 7.7953 7.7953 8.7333 8.7333 8.7852 8.7852 8.8759 8.8759 9.1642 9.1642 9.2416 9.2416 k = 0.2321 0.5000-0.0000 ( 6760 PWs) bands (ev): -35.3727 -35.3727 -35.3703 -35.3703 -35.3679 -35.3679 -16.6781 -16.6781 -16.6663 -16.6663 -16.6536 -16.6536 -16.3426 -16.3426 -16.3322 -16.3322 -16.3071 -16.3071 -16.2415 -16.2415 -16.2192 -16.2192 -16.1956 -16.1956 -10.3142 -10.3142 -10.3069 -10.3069 -10.2038 -10.2038 -3.5946 -3.5946 0.6570 0.6570 0.7181 0.7181 0.8446 0.8446 1.0540 1.0540 1.1252 1.1252 1.1853 1.1853 1.4234 1.4234 1.8077 1.8077 2.1022 2.1022 3.8990 3.8990 4.3646 4.3646 4.5988 4.5988 7.8711 7.8711 8.7484 8.7484 8.8123 8.8123 8.9160 8.9160 9.1790 9.1790 9.2530 9.2530 k = 0.2500 0.5000-0.0000 ( 6754 PWs) bands (ev): -35.3725 -35.3725 -35.3703 -35.3703 -35.3680 -35.3680 -16.6783 -16.6783 -16.6669 -16.6669 -16.6537 -16.6537 -16.3438 -16.3438 -16.3325 -16.3325 -16.3063 -16.3063 -16.2423 -16.2423 -16.2192 -16.2192 -16.1951 -16.1951 -10.3100 -10.3100 -10.3032 -10.3032 -10.2034 -10.2034 -3.5857 -3.5857 0.6434 0.6434 0.7060 0.7060 0.8252 0.8252 1.0601 1.0601 1.1253 1.1253 1.1845 1.1845 1.3990 1.3990 1.7951 1.7951 2.1178 2.1178 3.9029 3.9029 4.3201 4.3201 4.5753 4.5753 7.9502 7.9502 8.7635 8.7635 8.8403 8.8403 8.9593 8.9593 9.1933 9.1933 9.2633 9.2633 k = 0.2679 0.5000-0.0000 ( 6770 PWs) bands (ev): -35.3724 -35.3724 -35.3703 -35.3703 -35.3682 -35.3682 -16.6786 -16.6786 -16.6675 -16.6675 -16.6539 -16.6539 -16.3448 -16.3448 -16.3329 -16.3329 -16.3056 -16.3056 -16.2431 -16.2431 -16.2193 -16.2193 -16.1946 -16.1946 -10.3057 -10.3057 -10.2994 -10.2994 -10.2029 -10.2029 -3.5767 -3.5767 0.6285 0.6285 0.6953 0.6953 0.8059 0.8059 1.0663 1.0663 1.1254 1.1254 1.1836 1.1836 1.3759 1.3759 1.7821 1.7821 2.1327 2.1327 3.9063 3.9063 4.2766 4.2766 4.5526 4.5526 8.0319 8.0319 8.7789 8.7789 8.8683 8.8683 9.0054 9.0054 9.2072 9.2072 9.2726 9.2726 k = 0.2857 0.5000-0.0000 ( 6776 PWs) bands (ev): -35.3723 -35.3723 -35.3703 -35.3703 -35.3683 -35.3683 -16.6789 -16.6789 -16.6680 -16.6680 -16.6541 -16.6541 -16.3458 -16.3458 -16.3333 -16.3333 -16.3049 -16.3049 -16.2439 -16.2439 -16.2194 -16.2194 -16.1942 -16.1942 -10.3015 -10.3015 -10.2957 -10.2957 -10.2024 -10.2024 -3.5678 -3.5678 0.6130 0.6130 0.6854 0.6854 0.7870 0.7870 1.0722 1.0722 1.1256 1.1256 1.1826 1.1826 1.3542 1.3542 1.7691 1.7691 2.1468 2.1468 3.9089 3.9089 4.2347 4.2347 4.5309 4.5309 8.1160 8.1160 8.7947 8.7947 8.8955 8.8955 9.0540 9.0540 9.2207 9.2207 9.2811 9.2811 k = 0.3036 0.5000-0.0000 ( 6764 PWs) bands (ev): -35.3721 -35.3721 -35.3703 -35.3703 -35.3684 -35.3684 -16.6791 -16.6791 -16.6685 -16.6685 -16.6543 -16.6543 -16.3468 -16.3468 -16.3336 -16.3336 -16.3042 -16.3042 -16.2446 -16.2446 -16.2195 -16.2195 -16.1937 -16.1937 -10.2975 -10.2975 -10.2921 -10.2921 -10.2019 -10.2019 -3.5591 -3.5591 0.5975 0.5975 0.6761 0.6761 0.7690 0.7690 1.0778 1.0778 1.1262 1.1262 1.1817 1.1817 1.3341 1.3341 1.7561 1.7561 2.1600 2.1600 3.9107 3.9107 4.1949 4.1949 4.5104 4.5104 8.2019 8.2019 8.8109 8.8109 8.9212 8.9212 9.1045 9.1045 9.2340 9.2340 9.2891 9.2891 k = 0.3214 0.5000-0.0000 ( 6760 PWs) bands (ev): -35.3720 -35.3720 -35.3703 -35.3703 -35.3686 -35.3686 -16.6794 -16.6794 -16.6689 -16.6689 -16.6545 -16.6545 -16.3477 -16.3477 -16.3339 -16.3339 -16.3036 -16.3036 -16.2452 -16.2452 -16.2196 -16.2196 -16.1933 -16.1933 -10.2936 -10.2936 -10.2887 -10.2887 -10.2014 -10.2014 -3.5507 -3.5507 0.5825 0.5825 0.6672 0.6672 0.7519 0.7519 1.0827 1.0827 1.1272 1.1272 1.1808 1.1808 1.3156 1.3156 1.7434 1.7434 2.1722 2.1722 3.9117 3.9117 4.1577 4.1577 4.4912 4.4912 8.2892 8.2892 8.8275 8.8275 8.9448 8.9448 9.1563 9.1563 9.2469 9.2469 9.2966 9.2966 k = 0.3393 0.5000-0.0000 ( 6758 PWs) bands (ev): -35.3718 -35.3718 -35.3703 -35.3703 -35.3687 -35.3687 -16.6797 -16.6797 -16.6692 -16.6692 -16.6547 -16.6547 -16.3485 -16.3485 -16.3343 -16.3343 -16.3031 -16.3031 -16.2458 -16.2458 -16.2197 -16.2197 -16.1928 -16.1928 -10.2899 -10.2899 -10.2854 -10.2854 -10.2009 -10.2009 -3.5427 -3.5427 0.5682 0.5682 0.6585 0.6585 0.7361 0.7361 1.0867 1.0867 1.1288 1.1288 1.1800 1.1800 1.2988 1.2988 1.7310 1.7310 2.1835 2.1835 3.9117 3.9117 4.1238 4.1238 4.4735 4.4735 8.3772 8.3772 8.8444 8.8444 8.9656 8.9656 9.2083 9.2083 9.2593 9.2593 9.3042 9.3043 k = 0.3571 0.5000-0.0000 ( 6770 PWs) bands (ev): -35.3717 -35.3717 -35.3703 -35.3703 -35.3689 -35.3689 -16.6800 -16.6800 -16.6696 -16.6696 -16.6549 -16.6549 -16.3492 -16.3492 -16.3346 -16.3346 -16.3026 -16.3026 -16.2464 -16.2464 -16.2198 -16.2198 -16.1925 -16.1925 -10.2865 -10.2865 -10.2824 -10.2824 -10.2004 -10.2004 -3.5352 -3.5352 0.5550 0.5550 0.6500 0.6500 0.7217 0.7217 1.0895 1.0895 1.1312 1.1312 1.1794 1.1794 1.2839 1.2839 1.7192 1.7192 2.1937 2.1937 3.9105 3.9105 4.0936 4.0936 4.4574 4.4574 8.4655 8.4655 8.8616 8.8616 8.9830 8.9830 9.2574 9.2574 9.2712 9.2712 9.3142 9.3142 k = 0.3750 0.5000-0.0000 ( 6766 PWs) bands (ev): -35.3715 -35.3715 -35.3703 -35.3703 -35.3690 -35.3690 -16.6803 -16.6803 -16.6698 -16.6698 -16.6551 -16.6551 -16.3499 -16.3499 -16.3348 -16.3348 -16.3022 -16.3022 -16.2469 -16.2469 -16.2200 -16.2200 -16.1921 -16.1921 -10.2834 -10.2834 -10.2796 -10.2796 -10.1999 -10.1999 -3.5283 -3.5283 0.5430 0.5430 0.6417 0.6417 0.7091 0.7091 1.0912 1.0912 1.1340 1.1340 1.1790 1.1790 1.2708 1.2708 1.7082 1.7082 2.2028 2.2028 3.9082 3.9082 4.0675 4.0675 4.4429 4.4429 8.5533 8.5533 8.8788 8.8788 8.9967 8.9967 9.2815 9.2815 9.2936 9.2936 9.3369 9.3369 k = 0.3929 0.5000-0.0000 ( 6754 PWs) bands (ev): -35.3713 -35.3713 -35.3703 -35.3703 -35.3692 -35.3692 -16.6806 -16.6806 -16.6700 -16.6700 -16.6552 -16.6552 -16.3504 -16.3504 -16.3350 -16.3350 -16.3018 -16.3018 -16.2473 -16.2473 -16.2201 -16.2201 -16.1918 -16.1918 -10.2807 -10.2807 -10.2771 -10.2771 -10.1995 -10.1995 -3.5222 -3.5222 0.5323 0.5323 0.6339 0.6339 0.6981 0.6981 1.0921 1.0921 1.1372 1.1372 1.1789 1.1789 1.2595 1.2595 1.6981 1.6981 2.2108 2.2108 3.9046 3.9046 4.0458 4.0458 4.4302 4.4302 8.6397 8.6397 8.8960 8.8960 9.0065 9.0065 9.2917 9.2917 9.3069 9.3069 9.3796 9.3796 k = 0.4107 0.5000-0.0000 ( 6770 PWs) bands (ev): -35.3712 -35.3712 -35.3703 -35.3703 -35.3694 -35.3694 -16.6808 -16.6808 -16.6702 -16.6702 -16.6554 -16.6554 -16.3509 -16.3509 -16.3353 -16.3353 -16.3015 -16.3015 -16.2477 -16.2477 -16.2202 -16.2202 -16.1915 -16.1915 -10.2784 -10.2784 -10.2749 -10.2749 -10.1991 -10.1991 -3.5168 -3.5168 0.5232 0.5232 0.6267 0.6267 0.6890 0.6890 1.0923 1.0923 1.1402 1.1402 1.1790 1.1790 1.2501 1.2501 1.6892 1.6892 2.2176 2.2176 3.8999 3.8999 4.0287 4.0287 4.4193 4.4193 8.7235 8.7235 8.9130 8.9130 9.0123 9.0123 9.3006 9.3006 9.3131 9.3131 9.4263 9.4263 k = 0.4286 0.5000-0.0000 ( 6766 PWs) bands (ev): -35.3710 -35.3710 -35.3703 -35.3703 -35.3696 -35.3696 -16.6810 -16.6810 -16.6703 -16.6703 -16.6555 -16.6555 -16.3513 -16.3513 -16.3354 -16.3354 -16.3013 -16.3013 -16.2479 -16.2479 -16.2203 -16.2203 -16.1913 -16.1913 -10.2765 -10.2765 -10.2730 -10.2730 -10.1987 -10.1987 -3.5123 -3.5123 0.5156 0.5156 0.6203 0.6203 0.6816 0.6816 1.0921 1.0921 1.1430 1.1430 1.1792 1.1792 1.2426 1.2426 1.6816 1.6816 2.2232 2.2232 3.8947 3.8947 4.0158 4.0158 4.4104 4.4104 8.8031 8.8031 8.9295 8.9295 9.0142 9.0142 9.3080 9.3080 9.3171 9.3171 9.4705 9.4705 k = 0.4464 0.5000-0.0000 ( 6782 PWs) bands (ev): -35.3708 -35.3708 -35.3703 -35.3703 -35.3697 -35.3697 -16.6812 -16.6812 -16.6705 -16.6705 -16.6557 -16.6557 -16.3517 -16.3517 -16.3356 -16.3356 -16.3011 -16.3011 -16.2482 -16.2482 -16.2204 -16.2204 -16.1912 -16.1912 -10.2750 -10.2750 -10.2715 -10.2715 -10.1984 -10.1984 -3.5087 -3.5087 0.5096 0.5096 0.6151 0.6151 0.6760 0.6760 1.0917 1.0917 1.1452 1.1452 1.1796 1.1796 1.2368 1.2368 1.6754 1.6754 2.2276 2.2276 3.8895 3.8895 4.0068 4.0068 4.4033 4.4033 8.8759 8.8759 8.9452 8.9452 9.0126 9.0126 9.3139 9.3139 9.3201 9.3201 9.5027 9.5086 k = 0.4643 0.5000-0.0000 ( 6764 PWs) bands (ev): -35.3706 -35.3706 -35.3703 -35.3703 -35.3699 -35.3699 -16.6813 -16.6813 -16.6705 -16.6705 -16.6557 -16.6557 -16.3519 -16.3519 -16.3357 -16.3357 -16.3009 -16.3009 -16.2483 -16.2483 -16.2204 -16.2204 -16.1910 -16.1910 -10.2739 -10.2739 -10.2705 -10.2705 -10.1982 -10.1982 -3.5061 -3.5061 0.5054 0.5054 0.6112 0.6112 0.6720 0.6720 1.0914 1.0914 1.1467 1.1467 1.1800 1.1800 1.2327 1.2327 1.6710 1.6710 2.2307 2.2307 3.8851 3.8851 4.0008 4.0008 4.3983 4.3983 8.9375 8.9375 8.9597 8.9597 9.0080 9.0080 9.3179 9.3179 9.3224 9.3224 9.4628 9.4628 k = 0.4821 0.5000-0.0000 ( 6764 PWs) bands (ev): -35.3704 -35.3704 -35.3703 -35.3703 -35.3701 -35.3701 -16.6814 -16.6814 -16.6706 -16.6706 -16.6558 -16.6558 -16.3520 -16.3520 -16.3357 -16.3357 -16.3009 -16.3009 -16.2484 -16.2484 -16.2204 -16.2204 -16.1909 -16.1909 -10.2733 -10.2733 -10.2698 -10.2698 -10.1980 -10.1980 -3.5046 -3.5046 0.5028 0.5028 0.6088 0.6088 0.6696 0.6696 1.0911 1.0911 1.1477 1.1477 1.1803 1.1803 1.2302 1.2302 1.6682 1.6682 2.2326 2.2326 3.8822 3.8822 3.9975 3.9975 4.3953 4.3953 8.9721 8.9721 8.9808 8.9808 9.0017 9.0017 9.3201 9.3201 9.3240 9.3240 9.4327 9.4327 k = 0.5000 0.5000-0.0000 ( 6784 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6815 -16.6815 -16.6706 -16.6706 -16.6558 -16.6558 -16.3521 -16.3521 -16.3358 -16.3358 -16.3009 -16.3009 -16.2485 -16.2485 -16.2205 -16.2205 -16.1909 -16.1909 -10.2731 -10.2731 -10.2696 -10.2696 -10.1980 -10.1980 -3.5041 -3.5041 0.5019 0.5019 0.6080 0.6080 0.6688 0.6688 1.0910 1.0910 1.1480 1.1480 1.1804 1.1804 1.2294 1.2294 1.6673 1.6673 2.2332 2.2332 3.8812 3.8812 3.9965 3.9965 4.3942 4.3942 8.9785 8.9785 8.9946 8.9946 8.9995 8.9995 9.3207 9.3207 9.3246 9.3246 9.4211 9.4211 k = 0.5000 0.5000-0.0000 ( 6784 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6815 -16.6815 -16.6706 -16.6706 -16.6558 -16.6558 -16.3521 -16.3521 -16.3358 -16.3358 -16.3009 -16.3009 -16.2485 -16.2485 -16.2205 -16.2205 -16.1909 -16.1909 -10.2731 -10.2731 -10.2696 -10.2696 -10.1980 -10.1980 -3.5041 -3.5041 0.5019 0.5019 0.6080 0.6080 0.6688 0.6688 1.0910 1.0910 1.1480 1.1480 1.1804 1.1804 1.2294 1.2294 1.6673 1.6673 2.2332 2.2332 3.8812 3.8812 3.9965 3.9965 4.3942 4.3942 8.9785 8.9785 8.9946 8.9946 8.9995 8.9995 9.3207 9.3207 9.3246 9.3246 9.4211 9.4211 k = 0.4872 0.4872-0.0000 ( 6762 PWs) bands (ev): -35.3704 -35.3704 -35.3703 -35.3703 -35.3701 -35.3701 -16.6814 -16.6814 -16.6705 -16.6705 -16.6558 -16.6558 -16.3520 -16.3520 -16.3357 -16.3357 -16.3009 -16.3009 -16.2484 -16.2484 -16.2204 -16.2204 -16.1909 -16.1909 -10.2733 -10.2733 -10.2698 -10.2698 -10.1980 -10.1980 -3.5046 -3.5046 0.5028 0.5028 0.6088 0.6088 0.6696 0.6696 1.0911 1.0911 1.1477 1.1477 1.1803 1.1803 1.2303 1.2303 1.6683 1.6683 2.2326 2.2326 3.8822 3.8822 3.9976 3.9976 4.3953 4.3953 8.9713 8.9713 8.9827 8.9827 9.0000 9.0000 9.3198 9.3198 9.3243 9.3243 9.4331 9.4333 k = 0.4744 0.4744-0.0000 ( 6762 PWs) bands (ev): -35.3706 -35.3706 -35.3703 -35.3703 -35.3699 -35.3699 -16.6813 -16.6813 -16.6705 -16.6705 -16.6557 -16.6557 -16.3519 -16.3519 -16.3357 -16.3357 -16.3009 -16.3009 -16.2483 -16.2483 -16.2204 -16.2204 -16.1910 -16.1910 -10.2741 -10.2741 -10.2703 -10.2703 -10.1982 -10.1982 -3.5062 -3.5062 0.5055 0.5055 0.6113 0.6113 0.6721 0.6721 1.0913 1.0913 1.1467 1.1467 1.1801 1.1801 1.2328 1.2328 1.6711 1.6711 2.2306 2.2306 3.8854 3.8854 4.0008 4.0008 4.3984 4.3984 8.9447 8.9447 8.9548 8.9548 9.0030 9.0030 9.3151 9.3151 9.3251 9.3251 9.4643 9.4644 k = 0.4615 0.4615-0.0000 ( 6776 PWs) bands (ev): -35.3708 -35.3708 -35.3702 -35.3702 -35.3697 -35.3697 -16.6812 -16.6812 -16.6705 -16.6705 -16.6556 -16.6556 -16.3516 -16.3516 -16.3356 -16.3356 -16.3011 -16.3011 -16.2482 -16.2482 -16.2203 -16.2203 -16.1912 -16.1912 -10.2758 -10.2758 -10.2708 -10.2708 -10.1985 -10.1985 -3.5089 -3.5089 0.5099 0.5099 0.6154 0.6154 0.6761 0.6761 1.0916 1.0916 1.1449 1.1449 1.1799 1.1799 1.2370 1.2370 1.6757 1.6757 2.2274 2.2274 3.8906 3.8906 4.0064 4.0064 4.4036 4.4036 8.8907 8.8907 8.9313 8.9313 9.0044 9.0044 9.3065 9.3065 9.3272 9.3272 9.5022 9.5026 k = 0.4487 0.4487-0.0000 ( 6774 PWs) bands (ev): -35.3710 -35.3710 -35.3702 -35.3702 -35.3696 -35.3696 -16.6810 -16.6810 -16.6704 -16.6704 -16.6555 -16.6555 -16.3513 -16.3513 -16.3354 -16.3354 -16.3013 -16.3013 -16.2480 -16.2480 -16.2203 -16.2203 -16.1913 -16.1913 -10.2785 -10.2785 -10.2712 -10.2712 -10.1989 -10.1989 -3.5126 -3.5126 0.5161 0.5161 0.6209 0.6209 0.6818 0.6818 1.0916 1.0916 1.1425 1.1425 1.1801 1.1801 1.2431 1.2431 1.6820 1.6820 2.2230 2.2230 3.8977 3.8977 4.0144 4.0144 4.4109 4.4109 8.8270 8.8270 8.9015 8.9015 9.0042 9.0042 9.2942 9.2942 9.3304 9.3304 9.4563 9.4563 k = 0.4359 0.4359-0.0000 ( 6786 PWs) bands (ev): -35.3712 -35.3712 -35.3702 -35.3702 -35.3694 -35.3694 -16.6808 -16.6808 -16.6703 -16.6703 -16.6554 -16.6554 -16.3509 -16.3509 -16.3353 -16.3353 -16.3016 -16.3016 -16.2477 -16.2477 -16.2202 -16.2202 -16.1916 -16.1916 -10.2820 -10.2820 -10.2714 -10.2714 -10.1994 -10.1994 -3.5173 -3.5173 0.5240 0.5240 0.6277 0.6277 0.6890 0.6890 1.0909 1.0909 1.1398 1.1398 1.1808 1.1808 1.2511 1.2511 1.6898 1.6898 2.2175 2.2175 3.9066 3.9066 4.0250 4.0250 4.4202 4.4202 8.7577 8.7577 8.8658 8.8658 9.0026 9.0026 9.2783 9.2783 9.3345 9.3345 9.3990 9.3990 k = 0.4231 0.4231-0.0000 ( 6782 PWs) bands (ev): -35.3714 -35.3714 -35.3701 -35.3701 -35.3693 -35.3693 -16.6806 -16.6806 -16.6701 -16.6701 -16.6551 -16.6551 -16.3504 -16.3504 -16.3351 -16.3351 -16.3019 -16.3019 -16.2473 -16.2473 -16.2200 -16.2200 -16.1918 -16.1918 -10.2862 -10.2862 -10.2717 -10.2717 -10.2002 -10.2002 -3.5230 -3.5230 0.5336 0.5336 0.6356 0.6356 0.6978 0.6978 1.0888 1.0888 1.1372 1.1372 1.1823 1.1823 1.2611 1.2611 1.6991 1.6991 2.2110 2.2110 3.9173 3.9173 4.0383 4.0383 4.4315 4.4315 8.6850 8.6850 8.8246 8.8246 9.0001 9.0001 9.2581 9.2581 9.3335 9.3336 9.3397 9.3397 k = 0.4103 0.4103-0.0000 ( 6768 PWs) bands (ev): -35.3717 -35.3717 -35.3700 -35.3700 -35.3691 -35.3691 -16.6803 -16.6803 -16.6700 -16.6700 -16.6549 -16.6549 -16.3498 -16.3498 -16.3348 -16.3348 -16.3022 -16.3022 -16.2469 -16.2469 -16.2198 -16.2198 -16.1921 -16.1921 -10.2911 -10.2911 -10.2719 -10.2719 -10.2012 -10.2012 -3.5296 -3.5296 0.5448 0.5448 0.6444 0.6444 0.7080 0.7080 1.0849 1.0849 1.1356 1.1356 1.1843 1.1843 1.2731 1.2731 1.7095 1.7095 2.2035 2.2035 3.9297 3.9297 4.0545 4.0545 4.4448 4.4448 8.6102 8.6102 8.7784 8.7784 8.9968 8.9968 9.2271 9.2271 9.2689 9.2689 9.3452 9.3452 k = 0.3974 0.3974-0.0000 ( 6768 PWs) bands (ev): -35.3719 -35.3719 -35.3700 -35.3700 -35.3690 -35.3690 -16.6799 -16.6799 -16.6698 -16.6698 -16.6546 -16.6546 -16.3491 -16.3491 -16.3345 -16.3345 -16.3026 -16.3026 -16.2465 -16.2465 -16.2196 -16.2196 -16.1924 -16.1924 -10.2966 -10.2966 -10.2722 -10.2722 -10.2024 -10.2024 -3.5370 -3.5370 0.5575 0.5575 0.6540 0.6540 0.7196 0.7196 1.0788 1.0788 1.1353 1.1353 1.1871 1.1871 1.2873 1.2873 1.7209 1.7209 2.1952 2.1952 3.9436 3.9436 4.0738 4.0738 4.4601 4.4601 8.5342 8.5342 8.7276 8.7276 8.9931 8.9931 9.1638 9.1638 9.2280 9.2280 9.3515 9.3515 k = 0.3846 0.3846-0.0000 ( 6760 PWs) bands (ev): -35.3721 -35.3721 -35.3699 -35.3699 -35.3689 -35.3689 -16.6795 -16.6795 -16.6697 -16.6697 -16.6542 -16.6542 -16.3484 -16.3484 -16.3341 -16.3341 -16.3031 -16.3031 -16.2460 -16.2460 -16.2194 -16.2194 -16.1927 -16.1927 -10.3027 -10.3027 -10.2724 -10.2724 -10.2039 -10.2039 -3.5452 -3.5452 0.5715 0.5715 0.6643 0.6643 0.7325 0.7325 1.0706 1.0706 1.1364 1.1364 1.1904 1.1904 1.3036 1.3036 1.7332 1.7332 2.1862 2.1862 3.9592 3.9592 4.0961 4.0961 4.4772 4.4772 8.4578 8.4578 8.6730 8.6730 8.9890 8.9890 9.0815 9.0815 9.1991 9.1991 9.3585 9.3585 k = 0.3718 0.3718-0.0000 ( 6770 PWs) bands (ev): -35.3723 -35.3723 -35.3698 -35.3698 -35.3687 -35.3687 -16.6792 -16.6792 -16.6695 -16.6695 -16.6538 -16.6538 -16.3476 -16.3476 -16.3338 -16.3338 -16.3036 -16.3036 -16.2455 -16.2455 -16.2191 -16.2191 -16.1931 -16.1931 -10.3092 -10.3092 -10.2727 -10.2727 -10.2056 -10.2056 -3.5541 -3.5541 0.5867 0.5867 0.6750 0.6750 0.7467 0.7467 1.0608 1.0608 1.1387 1.1387 1.1943 1.1943 1.3221 1.3221 1.7463 1.7463 2.1767 2.1767 3.9765 3.9765 4.1215 4.1215 4.4961 4.4961 8.3812 8.3812 8.6148 8.6148 8.9837 8.9837 8.9945 8.9945 9.1705 9.1705 9.3660 9.3660 k = 0.3590 0.3590-0.0000 ( 6766 PWs) bands (ev): -35.3725 -35.3725 -35.3697 -35.3697 -35.3686 -35.3686 -16.6788 -16.6788 -16.6694 -16.6694 -16.6533 -16.6533 -16.3467 -16.3467 -16.3334 -16.3334 -16.3042 -16.3042 -16.2450 -16.2450 -16.2188 -16.2188 -16.1934 -16.1934 -10.3161 -10.3161 -10.2730 -10.2730 -10.2075 -10.2075 -3.5637 -3.5637 0.6027 0.6027 0.6861 0.6861 0.7620 0.7620 1.0498 1.0498 1.1419 1.1419 1.1986 1.1986 1.3428 1.3428 1.7598 1.7598 2.1668 2.1668 3.9956 3.9956 4.1499 4.1499 4.5168 4.5168 8.3050 8.3050 8.5538 8.5538 8.9020 8.9020 8.9810 8.9810 9.1405 9.1405 9.3739 9.3739 k = 0.3462 0.3462-0.0000 ( 6774 PWs) bands (ev): -35.3728 -35.3728 -35.3696 -35.3696 -35.3685 -35.3685 -16.6784 -16.6784 -16.6692 -16.6692 -16.6528 -16.6528 -16.3458 -16.3458 -16.3330 -16.3330 -16.3048 -16.3048 -16.2446 -16.2446 -16.2184 -16.2184 -16.1937 -16.1937 -10.3233 -10.3233 -10.2733 -10.2733 -10.2097 -10.2097 -3.5738 -3.5738 0.6193 0.6193 0.6975 0.6975 0.7784 0.7784 1.0379 1.0379 1.1457 1.1457 1.2035 1.2035 1.3655 1.3655 1.7738 1.7738 2.1566 2.1566 4.0168 4.0168 4.1812 4.1812 4.5391 4.5391 8.2293 8.2293 8.4901 8.4901 8.8092 8.8092 8.9769 8.9769 9.1088 9.1088 9.3822 9.3822 k = 0.3333 0.3333-0.0000 ( 6782 PWs) bands (ev): -35.3730 -35.3730 -35.3695 -35.3695 -35.3684 -35.3684 -16.6781 -16.6781 -16.6692 -16.6692 -16.6522 -16.6522 -16.3448 -16.3448 -16.3326 -16.3326 -16.3054 -16.3054 -16.2442 -16.2442 -16.2180 -16.2180 -16.1940 -16.1940 -10.3309 -10.3309 -10.2736 -10.2736 -10.2122 -10.2122 -3.5844 -3.5844 0.6362 0.6362 0.7090 0.7090 0.7960 0.7960 1.0256 1.0256 1.1501 1.1501 1.2088 1.2088 1.3902 1.3902 1.7882 1.7882 2.1464 2.1464 4.0402 4.0402 4.2153 4.2153 4.5632 4.5632 8.1545 8.1545 8.4244 8.4244 8.7155 8.7155 8.9732 8.9732 9.0755 9.0755 9.3908 9.3908 k = 0.3205 0.3205-0.0000 ( 6788 PWs) bands (ev): -35.3732 -35.3732 -35.3694 -35.3694 -35.3683 -35.3683 -16.6777 -16.6777 -16.6691 -16.6691 -16.6516 -16.6516 -16.3438 -16.3438 -16.3321 -16.3321 -16.3061 -16.3061 -16.2438 -16.2438 -16.2175 -16.2175 -16.1943 -16.1943 -10.3387 -10.3387 -10.2739 -10.2739 -10.2149 -10.2149 -3.5954 -3.5954 0.6529 0.6529 0.7204 0.7204 0.8149 0.8149 1.0130 1.0130 1.1549 1.1549 1.2146 1.2146 1.4166 1.4166 1.8027 1.8027 2.1362 2.1362 4.0660 4.0660 4.2520 4.2520 4.5887 4.5887 8.0808 8.0808 8.3569 8.3569 8.6216 8.6216 8.9697 8.9697 9.0404 9.0404 9.3958 9.3981 k = 0.3077 0.3077-0.0000 ( 6776 PWs) bands (ev): -35.3734 -35.3734 -35.3693 -35.3693 -35.3682 -35.3682 -16.6773 -16.6773 -16.6690 -16.6690 -16.6508 -16.6508 -16.3427 -16.3427 -16.3316 -16.3316 -16.3068 -16.3068 -16.2435 -16.2435 -16.2168 -16.2168 -16.1946 -16.1946 -10.3467 -10.3467 -10.2742 -10.2742 -10.2178 -10.2178 -3.6067 -3.6067 0.6692 0.6692 0.7316 0.7316 0.8349 0.8349 1.0004 1.0004 1.1602 1.1602 1.2207 1.2207 1.4448 1.4448 1.8173 1.8173 2.1262 2.1262 4.0943 4.0943 4.2912 4.2912 4.6158 4.6158 8.0085 8.0085 8.2880 8.2880 8.5280 8.5280 8.9665 8.9665 9.0038 9.0038 9.3720 9.3722 k = 0.2949 0.2949-0.0000 ( 6769 PWs) bands (ev): -35.3737 -35.3737 -35.3692 -35.3692 -35.3681 -35.3681 -16.6769 -16.6769 -16.6690 -16.6690 -16.6500 -16.6500 -16.3416 -16.3416 -16.3311 -16.3311 -16.3075 -16.3075 -16.2432 -16.2432 -16.2161 -16.2161 -16.1948 -16.1948 -10.3548 -10.3548 -10.2746 -10.2746 -10.2208 -10.2208 -3.6182 -3.6182 0.6846 0.6846 0.7424 0.7424 0.8560 0.8560 0.9881 0.9881 1.1659 1.1659 1.2271 1.2271 1.4744 1.4744 1.8319 1.8319 2.1165 2.1165 4.1255 4.1255 4.3327 4.3327 4.6442 4.6442 7.9377 7.9377 8.2180 8.2180 8.4352 8.4352 8.9588 8.9588 8.9705 8.9705 9.3491 9.3491 k = 0.2821 0.2821-0.0000 ( 6759 PWs) bands (ev): -35.3739 -35.3739 -35.3690 -35.3690 -35.3680 -35.3680 -16.6765 -16.6765 -16.6690 -16.6690 -16.6492 -16.6492 -16.3404 -16.3404 -16.3306 -16.3306 -16.3082 -16.3082 -16.2430 -16.2430 -16.2153 -16.2153 -16.1950 -16.1950 -10.3631 -10.3631 -10.2750 -10.2750 -10.2240 -10.2240 -3.6299 -3.6299 0.6991 0.6991 0.7528 0.7528 0.8778 0.8778 0.9767 0.9767 1.1720 1.1720 1.2339 1.2339 1.5053 1.5053 1.8465 1.8465 2.1072 2.1072 4.1595 4.1595 4.3763 4.3763 4.6739 4.6739 7.8686 7.8686 8.1473 8.1473 8.3435 8.3435 8.9223 8.9223 8.9645 8.9645 9.3261 9.3262 k = 0.2692 0.2692-0.0000 ( 6761 PWs) bands (ev): -35.3741 -35.3741 -35.3689 -35.3689 -35.3679 -35.3679 -16.6761 -16.6761 -16.6691 -16.6691 -16.6484 -16.6484 -16.3393 -16.3393 -16.3301 -16.3301 -16.3089 -16.3089 -16.2429 -16.2429 -16.2143 -16.2143 -16.1951 -16.1951 -10.3713 -10.3713 -10.2753 -10.2753 -10.2274 -10.2274 -3.6416 -3.6416 0.7123 0.7123 0.7624 0.7624 0.8989 0.8989 0.9675 0.9675 1.1786 1.1786 1.2410 1.2410 1.5371 1.5371 1.8609 1.8609 2.0985 2.0985 4.1964 4.1964 4.4218 4.4218 4.7048 4.7048 7.8014 7.8014 8.0761 8.0761 8.2532 8.2532 8.8798 8.8798 8.9632 8.9632 9.3032 9.3032 k = 0.2564 0.2564-0.0000 ( 6759 PWs) bands (ev): -35.3743 -35.3743 -35.3688 -35.3688 -35.3678 -35.3678 -16.6758 -16.6758 -16.6691 -16.6691 -16.6475 -16.6475 -16.3382 -16.3382 -16.3296 -16.3296 -16.3096 -16.3096 -16.2429 -16.2429 -16.2133 -16.2133 -16.1953 -16.1953 -10.3796 -10.3796 -10.2757 -10.2757 -10.2309 -10.2309 -3.6534 -3.6534 0.7244 0.7244 0.7712 0.7712 0.9148 0.9148 0.9650 0.9650 1.1856 1.1856 1.2482 1.2482 1.5697 1.5697 1.8750 1.8750 2.0904 2.0904 4.2364 4.2364 4.4689 4.4689 4.7369 4.7369 7.7362 7.7362 8.0047 8.0047 8.1646 8.1646 8.8349 8.8349 8.9629 8.9629 9.2806 9.2806 k = 0.2436 0.2436-0.0000 ( 6759 PWs) bands (ev): -35.3745 -35.3745 -35.3687 -35.3687 -35.3678 -35.3678 -16.6755 -16.6755 -16.6692 -16.6692 -16.6466 -16.6466 -16.3370 -16.3370 -16.3290 -16.3290 -16.3103 -16.3103 -16.2430 -16.2430 -16.2122 -16.2122 -16.1954 -16.1954 -10.3878 -10.3878 -10.2760 -10.2760 -10.2344 -10.2344 -3.6650 -3.6650 0.7352 0.7352 0.7790 0.7790 0.9179 0.9179 0.9766 0.9766 1.1932 1.1932 1.2557 1.2557 1.6028 1.6028 1.8889 1.8889 2.0830 2.0830 4.2794 4.2794 4.5175 4.5175 4.7699 4.7699 7.6732 7.6732 7.9335 7.9335 8.0779 8.0779 8.7876 8.7876 8.9633 8.9633 9.2583 9.2583 k = 0.2308 0.2308-0.0000 ( 6765 PWs) bands (ev): -35.3747 -35.3747 -35.3685 -35.3685 -35.3677 -35.3677 -16.6751 -16.6751 -16.6694 -16.6694 -16.6457 -16.6457 -16.3360 -16.3360 -16.3285 -16.3285 -16.3110 -16.3110 -16.2432 -16.2432 -16.2111 -16.2111 -16.1954 -16.1954 -10.3960 -10.3960 -10.2764 -10.2764 -10.2380 -10.2380 -3.6766 -3.6766 0.7448 0.7448 0.7859 0.7859 0.9115 0.9115 0.9988 0.9988 1.2011 1.2011 1.2633 1.2633 1.6362 1.6362 1.9024 1.9024 2.0763 2.0763 4.3253 4.3253 4.5673 4.5673 4.8038 4.8038 7.6125 7.6125 7.8627 7.8627 7.9933 7.9933 8.7380 8.7380 8.9644 8.9644 9.2365 9.2365 k = 0.2179 0.2179-0.0000 ( 6775 PWs) bands (ev): -35.3749 -35.3749 -35.3684 -35.3684 -35.3677 -35.3677 -16.6749 -16.6749 -16.6696 -16.6696 -16.6448 -16.6448 -16.3349 -16.3349 -16.3280 -16.3280 -16.3117 -16.3117 -16.2434 -16.2434 -16.2099 -16.2099 -16.1955 -16.1955 -10.4039 -10.4039 -10.2768 -10.2768 -10.2417 -10.2417 -3.6878 -3.6878 0.7533 0.7533 0.7917 0.7917 0.9021 0.9021 1.0249 1.0249 1.2095 1.2095 1.2710 1.2710 1.6695 1.6695 1.9156 1.9156 2.0705 2.0705 4.3740 4.3740 4.6181 4.6181 4.8385 4.8385 7.5543 7.5543 7.7926 7.7926 7.9109 7.9109 8.6860 8.6860 8.9662 8.9662 9.2153 9.2153 k = 0.2051 0.2051-0.0000 ( 6775 PWs) bands (ev): -35.3751 -35.3751 -35.3683 -35.3683 -35.3676 -35.3676 -16.6746 -16.6746 -16.6697 -16.6697 -16.6439 -16.6439 -16.3339 -16.3339 -16.3275 -16.3275 -16.3123 -16.3123 -16.2437 -16.2437 -16.2086 -16.2086 -16.1955 -16.1955 -10.4117 -10.4117 -10.2771 -10.2771 -10.2453 -10.2453 -3.6988 -3.6988 0.7607 0.7607 0.7964 0.7964 0.8920 0.8920 1.0522 1.0522 1.2183 1.2183 1.2788 1.2788 1.7026 1.7026 1.9282 1.9282 2.0655 2.0655 4.4254 4.4254 4.6695 4.6695 4.8739 4.8739 7.4987 7.4987 7.7235 7.7235 7.8309 7.8309 8.6315 8.6315 8.9687 8.9687 9.1948 9.1948 k = 0.1923 0.1923-0.0000 ( 6783 PWs) bands (ev): -35.3753 -35.3753 -35.3682 -35.3682 -35.3675 -35.3675 -16.6743 -16.6743 -16.6699 -16.6699 -16.6430 -16.6430 -16.3329 -16.3329 -16.3271 -16.3271 -16.3128 -16.3128 -16.2440 -16.2440 -16.2074 -16.2074 -16.1955 -16.1955 -10.4193 -10.4193 -10.2775 -10.2775 -10.2488 -10.2488 -3.7095 -3.7095 0.7672 0.7672 0.8002 0.8002 0.8820 0.8820 1.0799 1.0799 1.2273 1.2273 1.2866 1.2866 1.7351 1.7351 1.9404 1.9404 2.0613 2.0613 4.4791 4.4791 4.7213 4.7213 4.9097 4.9097 7.4458 7.4458 7.6557 7.6557 7.7535 7.7535 8.5746 8.5746 8.9717 8.9717 9.1752 9.1752 k = 0.1795 0.1795-0.0000 ( 6775 PWs) bands (ev): -35.3755 -35.3755 -35.3681 -35.3681 -35.3675 -35.3675 -16.6741 -16.6741 -16.6701 -16.6701 -16.6421 -16.6421 -16.3320 -16.3320 -16.3267 -16.3267 -16.3133 -16.3133 -16.2443 -16.2443 -16.2060 -16.2060 -16.1954 -16.1954 -10.4266 -10.4266 -10.2778 -10.2778 -10.2523 -10.2523 -3.7197 -3.7197 0.7728 0.7728 0.8030 0.8030 0.8722 0.8722 1.1073 1.1073 1.2365 1.2365 1.2944 1.2944 1.7668 1.7668 1.9520 1.9520 2.0580 2.0580 4.5348 4.5348 4.7732 4.7732 4.9460 4.9460 7.3958 7.3958 7.5895 7.5895 7.6787 7.6787 8.5155 8.5155 8.9751 8.9751 9.1564 9.1565 k = 0.1667 0.1667-0.0000 ( 6777 PWs) bands (ev): -35.3756 -35.3756 -35.3679 -35.3679 -35.3675 -35.3675 -16.6738 -16.6738 -16.6704 -16.6704 -16.6412 -16.6412 -16.3311 -16.3311 -16.3263 -16.3263 -16.3137 -16.3137 -16.2447 -16.2447 -16.2047 -16.2047 -16.1953 -16.1953 -10.4335 -10.4335 -10.2781 -10.2781 -10.2557 -10.2557 -3.7295 -3.7295 0.7777 0.7777 0.8049 0.8049 0.8628 0.8628 1.1340 1.1340 1.2457 1.2457 1.3022 1.3022 1.7975 1.7975 1.9630 1.9630 2.0555 2.0555 4.5920 4.5920 4.8249 4.8249 4.9823 4.9823 7.3486 7.3486 7.5252 7.5252 7.6066 7.6066 8.4545 8.4545 8.9790 8.9790 9.1387 9.1387 k = 0.1538 0.1538-0.0000 ( 6781 PWs) bands (ev): -35.3758 -35.3758 -35.3678 -35.3678 -35.3674 -35.3674 -16.6736 -16.6736 -16.6706 -16.6706 -16.6404 -16.6404 -16.3304 -16.3304 -16.3260 -16.3260 -16.3140 -16.3140 -16.2451 -16.2451 -16.2035 -16.2035 -16.1953 -16.1953 -10.4402 -10.4402 -10.2784 -10.2784 -10.2590 -10.2590 -3.7388 -3.7388 0.7818 0.7818 0.8060 0.8060 0.8540 0.8540 1.1598 1.1598 1.2549 1.2549 1.3099 1.3099 1.8268 1.8268 1.9735 1.9735 2.0538 2.0538 4.6501 4.6501 4.8761 4.8761 5.0187 5.0187 7.3046 7.3046 7.4632 7.4632 7.5374 7.5374 8.3922 8.3922 8.9832 8.9832 9.1220 9.1220 k = 0.1410 0.1410-0.0000 ( 6769 PWs) bands (ev): -35.3759 -35.3759 -35.3677 -35.3677 -35.3674 -35.3674 -16.6734 -16.6734 -16.6708 -16.6708 -16.6396 -16.6396 -16.3296 -16.3296 -16.3258 -16.3258 -16.3141 -16.3141 -16.2455 -16.2455 -16.2022 -16.2022 -16.1952 -16.1952 -10.4464 -10.4464 -10.2787 -10.2787 -10.2621 -10.2621 -3.7474 -3.7474 0.7853 0.7853 0.8065 0.8065 0.8458 0.8458 1.1843 1.1843 1.2638 1.2638 1.3176 1.3176 1.8543 1.8543 1.9835 1.9835 2.0530 2.0530 4.7083 4.7083 4.9266 4.9266 5.0548 5.0548 7.2637 7.2637 7.4039 7.4039 7.4712 7.4712 8.3291 8.3291 8.9877 8.9877 9.1064 9.1065 k = 0.1282 0.1282-0.0000 ( 6787 PWs) bands (ev): -35.3761 -35.3761 -35.3677 -35.3677 -35.3673 -35.3673 -16.6733 -16.6733 -16.6711 -16.6711 -16.6389 -16.6389 -16.3290 -16.3290 -16.3257 -16.3257 -16.3142 -16.3142 -16.2459 -16.2459 -16.2010 -16.2010 -16.1951 -16.1951 -10.4522 -10.4522 -10.2790 -10.2790 -10.2651 -10.2651 -3.7555 -3.7555 0.7882 0.7882 0.8064 0.8064 0.8383 0.8383 1.2071 1.2071 1.2723 1.2723 1.3252 1.3252 1.8798 1.8798 1.9930 1.9930 2.0528 2.0528 4.7658 4.7658 4.9760 4.9760 5.0903 5.0903 7.2260 7.2260 7.3475 7.3475 7.4081 7.4081 8.2661 8.2661 8.9921 8.9921 9.0919 9.0920 k = 0.1154 0.1154-0.0000 ( 6787 PWs) bands (ev): -35.3762 -35.3762 -35.3676 -35.3676 -35.3673 -35.3673 -16.6731 -16.6731 -16.6713 -16.6713 -16.6382 -16.6382 -16.3284 -16.3284 -16.3256 -16.3256 -16.3142 -16.3142 -16.2463 -16.2463 -16.1999 -16.1999 -16.1950 -16.1950 -10.4576 -10.4576 -10.2792 -10.2792 -10.2678 -10.2678 -3.7629 -3.7629 0.7906 0.7906 0.8059 0.8059 0.8314 0.8314 1.2282 1.2282 1.2803 1.2803 1.3327 1.3327 1.9029 1.9029 2.0022 2.0022 2.0533 2.0533 4.8215 4.8215 5.0243 5.0243 5.1248 5.1248 7.1916 7.1916 7.2946 7.2946 7.3484 7.3484 8.2043 8.2043 8.9966 8.9966 9.0788 9.0790 k = 0.1026 0.1026-0.0000 ( 6777 PWs) bands (ev): -35.3763 -35.3763 -35.3675 -35.3675 -35.3673 -35.3673 -16.6729 -16.6729 -16.6715 -16.6715 -16.6376 -16.6376 -16.3279 -16.3279 -16.3256 -16.3256 -16.3142 -16.3142 -16.2466 -16.2466 -16.1988 -16.1988 -16.1949 -16.1949 -10.4624 -10.4624 -10.2795 -10.2795 -10.2703 -10.2703 -3.7697 -3.7697 0.7924 0.7924 0.8050 0.8050 0.8254 0.8254 1.2472 1.2472 1.2877 1.2877 1.3400 1.3400 1.9232 1.9232 2.0113 2.0113 2.0544 2.0544 4.8743 4.8743 5.0712 5.0712 5.1579 5.1579 7.1607 7.1607 7.2455 7.2455 7.2922 7.2922 8.1447 8.1447 9.0010 9.0010 9.0669 9.0670 k = 0.0897 0.0897-0.0000 ( 6773 PWs) bands (ev): -35.3764 -35.3764 -35.3674 -35.3674 -35.3673 -35.3673 -16.6728 -16.6728 -16.6717 -16.6717 -16.6370 -16.6370 -16.3275 -16.3275 -16.3256 -16.3256 -16.3140 -16.3140 -16.2469 -16.2469 -16.1979 -16.1979 -16.1948 -16.1948 -10.4668 -10.4668 -10.2797 -10.2797 -10.2726 -10.2726 -3.7757 -3.7757 0.7939 0.7939 0.8039 0.8039 0.8201 0.8201 1.2640 1.2640 1.2944 1.2944 1.3472 1.3472 1.9403 1.9403 2.0205 2.0205 2.0558 2.0558 4.9229 4.9229 5.1164 5.1164 5.1892 5.1892 7.1332 7.1332 7.2006 7.2006 7.2400 7.2400 8.0884 8.0884 9.0051 9.0051 9.0563 9.0846 k = 0.0769 0.0769-0.0000 ( 6777 PWs) bands (ev): -35.3765 -35.3765 -35.3674 -35.3674 -35.3672 -35.3672 -16.6727 -16.6727 -16.6718 -16.6718 -16.6365 -16.6365 -16.3271 -16.3271 -16.3257 -16.3257 -16.3139 -16.3139 -16.2472 -16.2472 -16.1970 -16.1970 -16.1947 -16.1947 -10.4706 -10.4706 -10.2798 -10.2798 -10.2746 -10.2746 -3.7810 -3.7810 0.7949 0.7949 0.8025 0.8025 0.8158 0.8158 1.2784 1.2784 1.3003 1.3003 1.3540 1.3540 1.9542 1.9542 2.0297 2.0297 2.0575 2.0575 4.9664 4.9664 5.1595 5.1595 5.2180 5.2180 7.1092 7.1092 7.1605 7.1605 7.1923 7.1923 8.0367 8.0367 9.0088 9.0090 9.0474 9.0648 k = 0.0641 0.0641-0.0000 ( 6779 PWs) bands (ev): -35.3766 -35.3766 -35.3673 -35.3673 -35.3672 -35.3672 -16.6726 -16.6726 -16.6720 -16.6720 -16.6361 -16.6361 -16.3268 -16.3268 -16.3258 -16.3258 -16.3137 -16.3137 -16.2475 -16.2475 -16.1963 -16.1963 -16.1947 -16.1947 -10.4739 -10.4739 -10.2800 -10.2800 -10.2763 -10.2763 -3.7855 -3.7855 0.7955 0.7955 0.8010 0.8010 0.8125 0.8125 1.2905 1.2905 1.3053 1.3053 1.3603 1.3603 1.9648 1.9648 2.0387 2.0387 2.0592 2.0592 5.0039 5.0039 5.1995 5.1995 5.2437 5.2437 7.0888 7.0888 7.1255 7.1255 7.1497 7.1497 7.9907 7.9907 9.0121 9.0142 9.0395 9.0455 k = 0.0513 0.0513-0.0000 ( 6773 PWs) bands (ev): -35.3766 -35.3766 -35.3673 -35.3673 -35.3672 -35.3672 -16.6725 -16.6725 -16.6721 -16.6721 -16.6357 -16.6357 -16.3265 -16.3265 -16.3259 -16.3259 -16.3135 -16.3135 -16.2476 -16.2476 -16.1957 -16.1957 -16.1946 -16.1946 -10.4766 -10.4766 -10.2801 -10.2801 -10.2778 -10.2778 -3.7892 -3.7892 0.7958 0.7958 0.7995 0.7995 0.8102 0.8102 1.3001 1.3001 1.3094 1.3094 1.3659 1.3659 1.9726 1.9726 2.0471 2.0471 2.0609 2.0609 5.0348 5.0348 5.2352 5.2352 5.2657 5.2657 7.0721 7.0721 7.0962 7.0962 7.1129 7.1129 7.9515 7.9515 9.0149 9.0151 9.0354 9.0384 k = 0.0385 0.0385-0.0000 ( 6771 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6725 -16.6725 -16.6722 -16.6722 -16.6354 -16.6354 -16.3263 -16.3263 -16.3260 -16.3260 -16.3134 -16.3134 -16.2478 -16.2478 -16.1951 -16.1951 -16.1946 -16.1946 -10.4787 -10.4787 -10.2802 -10.2802 -10.2789 -10.2789 -3.7921 -3.7921 0.7958 0.7958 0.7980 0.7980 0.8087 0.8087 1.3075 1.3075 1.3126 1.3126 1.3706 1.3706 1.9780 1.9780 2.0543 2.0543 2.0624 2.0624 5.0590 5.0590 5.2653 5.2653 5.2836 5.2836 7.0591 7.0591 7.0729 7.0729 7.0829 7.0829 7.9200 7.9200 9.0167 9.0186 9.0314 9.0350 k = 0.0256 0.0256-0.0000 ( 6783 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6724 -16.6724 -16.6723 -16.6723 -16.6353 -16.6353 -16.3262 -16.3262 -16.3260 -16.3260 -16.3133 -16.3133 -16.2480 -16.2480 -16.1948 -16.1948 -16.1945 -16.1945 -10.4803 -10.4803 -10.2803 -10.2803 -10.2797 -10.2797 -3.7942 -3.7942 0.7958 0.7958 0.7967 0.7967 0.8079 0.8079 1.3127 1.3127 1.3149 1.3149 1.3742 1.3742 1.9816 1.9816 2.0598 2.0598 2.0635 2.0635 5.0763 5.0763 5.2882 5.2882 5.2967 5.2967 7.0497 7.0497 7.0559 7.0559 7.0606 7.0606 7.8969 7.8969 9.0172 9.0209 9.0268 9.0311 k = 0.0128 0.0128-0.0000 ( 6775 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6724 -16.6724 -16.6724 -16.6724 -16.6351 -16.6351 -16.3261 -16.3261 -16.3261 -16.3261 -16.3132 -16.3132 -16.2480 -16.2480 -16.1946 -16.1946 -16.1945 -16.1945 -10.4812 -10.4812 -10.2803 -10.2803 -10.2802 -10.2802 -3.7955 -3.7955 0.7957 0.7957 0.7959 0.7959 0.8075 0.8075 1.3157 1.3157 1.3163 1.3163 1.3764 1.3764 1.9837 1.9837 2.0633 2.0633 2.0642 2.0642 5.0866 5.0866 5.3025 5.3025 5.3047 5.3047 7.0440 7.0440 7.0456 7.0456 7.0468 7.0468 7.8828 7.8828 9.0166 9.0172 9.0181 9.0183 k = 0.0000 0.0000 0.0000 ( 6763 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6723 -16.6723 -16.6723 -16.6723 -16.6351 -16.6351 -16.3261 -16.3261 -16.3261 -16.3261 -16.3132 -16.3132 -16.2480 -16.2480 -16.1945 -16.1945 -16.1945 -16.1945 -10.4815 -10.4815 -10.2803 -10.2803 -10.2803 -10.2803 -3.7959 -3.7959 0.7957 0.7957 0.7957 0.7957 0.8073 0.8073 1.3168 1.3168 1.3168 1.3168 1.3772 1.3772 1.9843 1.9843 2.0645 2.0645 2.0645 2.0645 5.0901 5.0901 5.3074 5.3074 5.3074 5.3074 7.0419 7.0419 7.0423 7.0423 7.0423 7.0423 7.8781 7.8781 9.0163 9.0163 9.0166 9.0179 k = 0.0000 0.0000 0.0000 ( 6763 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6723 -16.6723 -16.6723 -16.6723 -16.6351 -16.6351 -16.3261 -16.3261 -16.3261 -16.3261 -16.3132 -16.3132 -16.2480 -16.2480 -16.1945 -16.1945 -16.1945 -16.1945 -10.4815 -10.4815 -10.2803 -10.2803 -10.2803 -10.2803 -3.7959 -3.7959 0.7957 0.7957 0.7957 0.7957 0.8073 0.8073 1.3168 1.3168 1.3168 1.3168 1.3772 1.3772 1.9843 1.9843 2.0645 2.0645 2.0645 2.0645 5.0901 5.0901 5.3074 5.3074 5.3074 5.3074 7.0419 7.0419 7.0423 7.0423 7.0423 7.0423 7.8781 7.8781 9.0163 9.0163 9.0171 9.0184 k = 0.0104 0.0104 0.0104 ( 6775 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6724 -16.6724 -16.6724 -16.6724 -16.6351 -16.6351 -16.3261 -16.3261 -16.3261 -16.3261 -16.3132 -16.3132 -16.2480 -16.2480 -16.1946 -16.1946 -16.1945 -16.1945 -10.4812 -10.4812 -10.2803 -10.2803 -10.2803 -10.2803 -3.7955 -3.7955 0.7958 0.7958 0.7959 0.7959 0.8075 0.8075 1.3158 1.3158 1.3162 1.3162 1.3764 1.3764 1.9837 1.9837 2.0633 2.0633 2.0643 2.0643 5.0866 5.0866 5.3027 5.3027 5.3045 5.3045 7.0448 7.0448 7.0451 7.0451 7.0465 7.0465 7.8828 7.8828 9.0171 9.0174 9.0181 9.0185 k = 0.0208 0.0208 0.0208 ( 6784 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6724 -16.6724 -16.6723 -16.6723 -16.6353 -16.6353 -16.3262 -16.3262 -16.3260 -16.3260 -16.3133 -16.3133 -16.2480 -16.2480 -16.1948 -16.1948 -16.1945 -16.1945 -10.4803 -10.4803 -10.2800 -10.2800 -10.2800 -10.2800 -3.7942 -3.7942 0.7960 0.7960 0.7965 0.7965 0.8078 0.8078 1.3130 1.3130 1.3147 1.3147 1.3742 1.3742 1.9816 1.9816 2.0597 2.0597 2.0637 2.0637 5.0764 5.0764 5.2890 5.2890 5.2960 5.2960 7.0530 7.0530 7.0535 7.0535 7.0593 7.0593 7.8968 7.8968 9.0195 9.0216 9.0224 9.0287 k = 0.0312 0.0312 0.0312 ( 6781 PWs) bands (ev): -35.3767 -35.3767 -35.3672 -35.3672 -35.3672 -35.3672 -16.6724 -16.6724 -16.6723 -16.6723 -16.6355 -16.6355 -16.3264 -16.3264 -16.3259 -16.3259 -16.3134 -16.3134 -16.2478 -16.2478 -16.1952 -16.1952 -16.1946 -16.1946 -10.4788 -10.4788 -10.2796 -10.2796 -10.2795 -10.2795 -3.7922 -3.7922 0.7964 0.7964 0.7976 0.7976 0.8085 0.8085 1.3084 1.3084 1.3119 1.3119 1.3706 1.3706 1.9780 1.9780 2.0542 2.0542 2.0628 2.0628 5.0595 5.0595 5.2671 5.2671 5.2821 5.2821 7.0665 7.0665 7.0673 7.0673 7.0800 7.0800 7.9199 7.9199 9.0195 9.0205 9.0286 9.0299 k = 0.0417 0.0417 0.0417 ( 6787 PWs) bands (ev): -35.3766 -35.3766 -35.3672 -35.3672 -35.3672 -35.3672 -16.6725 -16.6725 -16.6722 -16.6722 -16.6357 -16.6357 -16.3266 -16.3266 -16.3258 -16.3258 -16.3136 -16.3136 -16.2477 -16.2477 -16.1957 -16.1957 -16.1946 -16.1946 -10.4766 -10.4766 -10.2790 -10.2790 -10.2789 -10.2789 -3.7893 -3.7893 0.7968 0.7968 0.7990 0.7990 0.8095 0.8095 1.3019 1.3019 1.3080 1.3080 1.3659 1.3659 1.9722 1.9722 2.0471 2.0471 2.0616 2.0616 5.0360 5.0360 5.2380 5.2380 5.2631 5.2631 7.0852 7.0852 7.0862 7.0862 7.1077 7.1077 7.9518 7.9518 9.0202 9.0209 9.0360 9.0385 k = 0.0521 0.0521 0.0521 ( 6787 PWs) bands (ev): -35.3766 -35.3766 -35.3673 -35.3673 -35.3673 -35.3673 -16.6726 -16.6726 -16.6721 -16.6721 -16.6361 -16.6361 -16.3269 -16.3269 -16.3257 -16.3257 -16.3137 -16.3137 -16.2475 -16.2475 -16.1963 -16.1963 -16.1946 -16.1946 -10.4740 -10.4740 -10.2782 -10.2782 -10.2781 -10.2781 -3.7855 -3.7855 0.7972 0.7972 0.8007 0.8007 0.8108 0.8108 1.2938 1.2938 1.3026 1.3026 1.3601 1.3601 1.9637 1.9637 2.0394 2.0394 2.0600 2.0600 5.0061 5.0061 5.2033 5.2033 5.2395 5.2395 7.1087 7.1087 7.1101 7.1101 7.1415 7.1415 7.9920 7.9920 9.0207 9.0208 9.0454 9.0471 k = 0.0625 0.0625 0.0625 ( 6793 PWs) bands (ev): -35.3765 -35.3765 -35.3673 -35.3673 -35.3673 -35.3673 -16.6726 -16.6726 -16.6720 -16.6720 -16.6365 -16.6365 -16.3274 -16.3274 -16.3255 -16.3255 -16.3139 -16.3139 -16.2472 -16.2472 -16.1971 -16.1971 -16.1947 -16.1947 -10.4707 -10.4707 -10.2773 -10.2773 -10.2772 -10.2772 -3.7810 -3.7810 0.7974 0.7974 0.8027 0.8027 0.8124 0.8124 1.2839 1.2839 1.2956 1.2956 1.3537 1.3537 1.9517 1.9517 2.0318 2.0318 2.0582 2.0582 4.9702 4.9702 5.1643 5.1643 5.2116 5.2116 7.1368 7.1368 7.1386 7.1386 7.1805 7.1805 8.0399 8.0399 9.0216 9.0217 9.0558 9.0572 k = 0.0729 0.0729 0.0729 ( 6793 PWs) bands (ev): -35.3764 -35.3764 -35.3673 -35.3673 -35.3673 -35.3673 -16.6727 -16.6727 -16.6718 -16.6718 -16.6370 -16.6370 -16.3279 -16.3279 -16.3253 -16.3253 -16.3140 -16.3140 -16.2470 -16.2470 -16.1979 -16.1979 -16.1948 -16.1948 -10.4669 -10.4669 -10.2762 -10.2762 -10.2760 -10.2760 -3.7757 -3.7757 0.7974 0.7974 0.8048 0.8048 0.8143 0.8143 1.2726 1.2726 1.2867 1.2867 1.3470 1.3470 1.9357 1.9357 2.0251 2.0251 2.0562 2.0562 4.9286 4.9286 5.1223 5.1223 5.1800 5.1800 7.1692 7.1692 7.1714 7.1714 7.2239 7.2239 8.0948 8.0948 9.0230 9.0231 9.0685 9.0692 k = 0.0833 0.0833 0.0833 ( 6793 PWs) bands (ev): -35.3763 -35.3763 -35.3674 -35.3674 -35.3674 -35.3674 -16.6728 -16.6728 -16.6717 -16.6717 -16.6376 -16.6376 -16.3286 -16.3286 -16.3250 -16.3250 -16.3142 -16.3142 -16.2467 -16.2467 -16.1989 -16.1989 -16.1948 -16.1948 -10.4625 -10.4625 -10.2750 -10.2750 -10.2747 -10.2747 -3.7696 -3.7696 0.7970 0.7970 0.8070 0.8070 0.8164 0.8164 1.2598 1.2598 1.2760 1.2760 1.3401 1.3401 1.9157 1.9157 2.0195 2.0195 2.0541 2.0541 4.8821 4.8821 5.0785 5.0785 5.1452 5.1452 7.2056 7.2056 7.2082 7.2082 7.2709 7.2709 8.1557 8.1557 9.0254 9.0255 9.0827 9.0834 k = 0.0938 0.0937 0.0937 ( 6802 PWs) bands (ev): -35.3762 -35.3762 -35.3674 -35.3674 -35.3674 -35.3674 -16.6730 -16.6730 -16.6715 -16.6715 -16.6382 -16.6382 -16.3294 -16.3294 -16.3247 -16.3247 -16.3143 -16.3143 -16.2464 -16.2464 -16.2000 -16.2000 -16.1949 -16.1949 -10.4576 -10.4576 -10.2736 -10.2736 -10.2733 -10.2733 -3.7627 -3.7627 0.7963 0.7963 0.8091 0.8091 0.8187 0.8187 1.2458 1.2458 1.2633 1.2633 1.3333 1.3333 1.8919 1.8919 2.0151 2.0151 2.0519 2.0519 4.8315 4.8315 5.0335 5.0335 5.1078 5.1078 7.2458 7.2458 7.2486 7.2486 7.3209 7.3209 8.2215 8.2215 9.0291 9.0291 9.0997 9.1001 k = 0.1042 0.1042 0.1042 ( 6790 PWs) bands (ev): -35.3761 -35.3761 -35.3675 -35.3675 -35.3675 -35.3675 -16.6731 -16.6731 -16.6714 -16.6714 -16.6388 -16.6388 -16.3303 -16.3303 -16.3244 -16.3244 -16.3143 -16.3143 -16.2460 -16.2460 -16.2011 -16.2011 -16.1949 -16.1949 -10.4522 -10.4522 -10.2720 -10.2720 -10.2717 -10.2717 -3.7550 -3.7550 0.7952 0.7952 0.8110 0.8110 0.8208 0.8208 1.2308 1.2308 1.2489 1.2489 1.3266 1.3266 1.8647 1.8647 2.0115 2.0115 2.0497 2.0497 4.7776 4.7776 4.9879 4.9879 5.0682 5.0682 7.2894 7.2894 7.2925 7.2925 7.3737 7.3737 8.2911 8.2911 9.0346 9.0346 9.1169 9.1178 k = 0.1146 0.1146 0.1146 ( 6778 PWs) bands (ev): -35.3759 -35.3759 -35.3676 -35.3676 -35.3676 -35.3676 -16.6733 -16.6733 -16.6712 -16.6712 -16.6395 -16.6395 -16.3314 -16.3314 -16.3240 -16.3240 -16.3143 -16.3143 -16.2457 -16.2457 -16.2022 -16.2022 -16.1949 -16.1949 -10.4463 -10.4463 -10.2703 -10.2703 -10.2699 -10.2699 -3.7466 -3.7466 0.7935 0.7935 0.8124 0.8124 0.8227 0.8227 1.2151 1.2151 1.2330 1.2330 1.3200 1.3200 1.8346 1.8346 2.0087 2.0087 2.0476 2.0476 4.7216 4.7216 4.9420 4.9420 5.0269 5.0269 7.3362 7.3362 7.3395 7.3395 7.4289 7.4289 8.3630 8.3630 9.0426 9.0426 9.1359 9.1375 k = 0.1250 0.1250 0.1250 ( 6772 PWs) bands (ev): -35.3758 -35.3758 -35.3676 -35.3676 -35.3676 -35.3676 -16.6735 -16.6735 -16.6710 -16.6710 -16.6403 -16.6403 -16.3326 -16.3326 -16.3236 -16.3236 -16.3142 -16.3142 -16.2454 -16.2454 -16.2034 -16.2034 -16.1950 -16.1950 -10.4400 -10.4400 -10.2685 -10.2685 -10.2680 -10.2680 -3.7375 -3.7375 0.7912 0.7912 0.8131 0.8131 0.8242 0.8242 1.1989 1.1989 1.2159 1.2159 1.3133 1.3133 1.8018 1.8018 2.0065 2.0065 2.0455 2.0455 4.6644 4.6644 4.8960 4.8960 4.9843 4.9843 7.3860 7.3860 7.3894 7.3894 7.4863 7.4863 8.4357 8.4357 9.0540 9.0540 9.1569 9.1582 k = 0.1354 0.1354 0.1354 ( 6772 PWs) bands (ev): -35.3756 -35.3756 -35.3677 -35.3677 -35.3677 -35.3677 -16.6737 -16.6737 -16.6709 -16.6709 -16.6411 -16.6411 -16.3339 -16.3339 -16.3232 -16.3232 -16.3141 -16.3141 -16.2452 -16.2452 -16.2045 -16.2045 -16.1950 -16.1950 -10.4332 -10.4332 -10.2666 -10.2666 -10.2660 -10.2660 -3.7276 -3.7276 0.7882 0.7882 0.8129 0.8129 0.8250 0.8250 1.1826 1.1826 1.1981 1.1981 1.3067 1.3067 1.7667 1.7667 2.0049 2.0049 2.0437 2.0437 4.6068 4.6068 4.8501 4.8501 4.9409 4.9409 7.4385 7.4385 7.4420 7.4420 7.5456 7.5456 8.5073 8.5073 9.0698 9.0698 9.1792 9.1802 k = 0.1458 0.1458 0.1458 ( 6781 PWs) bands (ev): -35.3755 -35.3755 -35.3678 -35.3678 -35.3678 -35.3678 -16.6739 -16.6739 -16.6707 -16.6707 -16.6420 -16.6420 -16.3354 -16.3354 -16.3228 -16.3228 -16.3140 -16.3140 -16.2450 -16.2450 -16.2057 -16.2057 -16.1951 -16.1951 -10.4260 -10.4260 -10.2645 -10.2645 -10.2639 -10.2639 -3.7171 -3.7171 0.7845 0.7845 0.8113 0.8113 0.8248 0.8248 1.1665 1.1665 1.1800 1.1800 1.3000 1.3000 1.7297 1.7297 2.0038 2.0038 2.0421 2.0421 4.5495 4.5495 4.8044 4.8044 4.8969 4.8969 7.4936 7.4936 7.4971 7.4971 7.6068 7.6068 8.5758 8.5758 9.0915 9.0915 9.2036 9.2044 k = 0.1562 0.1562 0.1562 ( 6769 PWs) bands (ev): -35.3753 -35.3753 -35.3678 -35.3678 -35.3678 -35.3678 -16.6742 -16.6742 -16.6706 -16.6706 -16.6428 -16.6428 -16.3370 -16.3370 -16.3223 -16.3223 -16.3138 -16.3138 -16.2448 -16.2448 -16.2067 -16.2067 -16.1951 -16.1951 -10.4185 -10.4185 -10.2624 -10.2624 -10.2616 -10.2616 -3.7059 -3.7059 0.7799 0.7799 0.8080 0.8080 0.8232 0.8232 1.1512 1.1512 1.1620 1.1620 1.2932 1.2932 1.6910 1.6910 2.0033 2.0033 2.0408 2.0408 4.4933 4.4933 4.7591 4.7591 4.8528 4.8528 7.5511 7.5511 7.5546 7.5546 7.6698 7.6698 8.6390 8.6390 9.1207 9.1207 9.2277 9.2293 k = 0.1667 0.1667 0.1667 ( 6772 PWs) bands (ev): -35.3751 -35.3751 -35.3679 -35.3679 -35.3679 -35.3679 -16.6745 -16.6745 -16.6706 -16.6706 -16.6437 -16.6437 -16.3387 -16.3387 -16.3218 -16.3218 -16.3136 -16.3136 -16.2448 -16.2448 -16.2077 -16.2077 -16.1951 -16.1951 -10.4106 -10.4106 -10.2601 -10.2601 -10.2593 -10.2593 -3.6941 -3.6941 0.7743 0.7743 0.8026 0.8026 0.8199 0.8199 1.1371 1.1371 1.1447 1.1447 1.2863 1.2863 1.6508 1.6508 2.0034 2.0034 2.0398 2.0398 4.4386 4.4386 4.7144 4.7144 4.8087 4.8087 7.6108 7.6108 7.6142 7.6142 7.7343 7.7343 8.6950 8.6950 9.1585 9.1585 9.2537 9.2551 k = 0.1771 0.1771 0.1771 ( 6769 PWs) bands (ev): -35.3749 -35.3749 -35.3680 -35.3680 -35.3680 -35.3680 -16.6749 -16.6749 -16.6705 -16.6705 -16.6446 -16.6446 -16.3405 -16.3405 -16.3213 -16.3213 -16.3134 -16.3134 -16.2449 -16.2449 -16.2085 -16.2085 -16.1951 -16.1951 -10.4024 -10.4024 -10.2578 -10.2578 -10.2568 -10.2568 -3.6816 -3.6816 0.7677 0.7677 0.7948 0.7948 0.8145 0.8145 1.1245 1.1245 1.1285 1.1285 1.2792 1.2792 1.6094 1.6094 2.0040 2.0040 2.0394 2.0394 4.3860 4.3860 4.6704 4.6704 4.7649 4.7649 7.6726 7.6726 7.6759 7.6759 7.8004 7.8004 8.7427 8.7427 9.2054 9.2054 9.2807 9.2820 k = 0.1875 0.1875 0.1875 ( 6763 PWs) bands (ev): -35.3747 -35.3747 -35.3681 -35.3681 -35.3681 -35.3681 -16.6752 -16.6752 -16.6706 -16.6706 -16.6455 -16.6455 -16.3423 -16.3423 -16.3207 -16.3207 -16.3131 -16.3131 -16.2452 -16.2452 -16.2092 -16.2092 -16.1951 -16.1951 -10.3939 -10.3939 -10.2554 -10.2554 -10.2543 -10.2543 -3.6686 -3.6686 0.7598 0.7598 0.7843 0.7843 0.8066 0.8066 1.1139 1.1139 1.1139 1.1139 1.2721 1.2721 1.5672 1.5672 2.0052 2.0052 2.0394 2.0394 4.3358 4.3358 4.6272 4.6272 4.7217 4.7217 7.7363 7.7363 7.7395 7.7395 7.8678 7.8678 8.7824 8.7824 9.2606 9.2606 9.3094 9.3100 k = 0.1979 0.1979 0.1979 ( 6766 PWs) bands (ev): -35.3745 -35.3745 -35.3682 -35.3682 -35.3682 -35.3682 -16.6757 -16.6757 -16.6707 -16.6707 -16.6463 -16.6463 -16.3443 -16.3443 -16.3202 -16.3202 -16.3128 -16.3128 -16.2457 -16.2457 -16.2097 -16.2097 -16.1950 -16.1950 -10.3852 -10.3852 -10.2529 -10.2529 -10.2517 -10.2517 -3.6551 -3.6551 0.7506 0.7506 0.7711 0.7711 0.7962 0.7962 1.1012 1.1012 1.1054 1.1054 1.2649 1.2649 1.5242 1.5242 2.0071 2.0071 2.0399 2.0399 4.2883 4.2883 4.5851 4.5851 4.6792 4.6792 7.8017 7.8017 7.8048 7.8048 7.9364 7.9364 8.8152 8.8152 9.3217 9.3217 9.3378 9.3385 k = 0.2083 0.2083 0.2083 ( 6763 PWs) bands (ev): -35.3743 -35.3743 -35.3683 -35.3683 -35.3683 -35.3683 -16.6761 -16.6761 -16.6708 -16.6708 -16.6472 -16.6472 -16.3463 -16.3463 -16.3196 -16.3196 -16.3125 -16.3125 -16.2463 -16.2463 -16.2100 -16.2100 -16.1950 -16.1950 -10.3763 -10.3763 -10.2503 -10.2503 -10.2490 -10.2490 -3.6411 -3.6411 0.7399 0.7399 0.7550 0.7550 0.7830 0.7830 1.0907 1.0907 1.0991 1.0991 1.2576 1.2576 1.4809 1.4809 2.0096 2.0096 2.0410 2.0410 4.2438 4.2438 4.5440 4.5440 4.6376 4.6376 7.8687 7.8687 7.8716 7.8716 8.0061 8.0061 8.8428 8.8428 9.3665 9.3667 9.3677 9.3694 k = 0.2188 0.2187 0.2187 ( 6757 PWs) bands (ev): -35.3741 -35.3741 -35.3684 -35.3684 -35.3684 -35.3684 -16.6766 -16.6766 -16.6711 -16.6711 -16.6479 -16.6479 -16.3484 -16.3484 -16.3190 -16.3190 -16.3122 -16.3122 -16.2471 -16.2471 -16.2101 -16.2101 -16.1949 -16.1949 -10.3672 -10.3672 -10.2477 -10.2477 -10.2463 -10.2463 -3.6266 -3.6266 0.7275 0.7275 0.7364 0.7364 0.7674 0.7674 1.0823 1.0823 1.0948 1.0948 1.2502 1.2502 1.4374 1.4374 2.0128 2.0128 2.0427 2.0427 4.2024 4.2024 4.5041 4.5041 4.5971 4.5971 7.9372 7.9372 7.9399 7.9399 8.0766 8.0766 8.8670 8.8670 9.3964 9.3964 9.3984 9.3984 k = 0.2292 0.2292 0.2292 ( 6755 PWs) bands (ev): -35.3739 -35.3739 -35.3685 -35.3685 -35.3685 -35.3685 -16.6771 -16.6771 -16.6714 -16.6714 -16.6487 -16.6487 -16.3505 -16.3505 -16.3184 -16.3184 -16.3119 -16.3119 -16.2480 -16.2480 -16.2100 -16.2100 -16.1948 -16.1948 -10.3580 -10.3580 -10.2451 -10.2451 -10.2435 -10.2435 -3.6117 -3.6117 0.7133 0.7133 0.7155 0.7155 0.7497 0.7497 1.0759 1.0759 1.0924 1.0924 1.2427 1.2427 1.3941 1.3941 2.0167 2.0167 2.0450 2.0450 4.1643 4.1643 4.4655 4.4655 4.5578 4.5578 8.0068 8.0068 8.0094 8.0094 8.1479 8.1479 8.8891 8.8891 9.4267 9.4267 9.4291 9.4291 k = 0.2396 0.2396 0.2396 ( 6761 PWs) bands (ev): -35.3737 -35.3737 -35.3686 -35.3686 -35.3686 -35.3686 -16.6776 -16.6776 -16.6718 -16.6718 -16.6494 -16.6494 -16.3526 -16.3526 -16.3177 -16.3177 -16.3116 -16.3116 -16.2491 -16.2491 -16.2097 -16.2097 -16.1947 -16.1947 -10.3488 -10.3488 -10.2424 -10.2424 -10.2408 -10.2408 -3.5964 -3.5964 0.6927 0.6927 0.6968 0.6968 0.7305 0.7305 1.0712 1.0712 1.0916 1.0916 1.2352 1.2352 1.3514 1.3514 2.0212 2.0212 2.0480 2.0480 4.1295 4.1295 4.4284 4.4284 4.5197 4.5197 8.0776 8.0776 8.0800 8.0800 8.2197 8.2197 8.9103 8.9103 9.4573 9.4573 9.4600 9.4600 k = 0.2500 0.2500 0.2500 ( 6746 PWs) bands (ev): -35.3735 -35.3735 -35.3687 -35.3687 -35.3687 -35.3687 -16.6781 -16.6781 -16.6723 -16.6723 -16.6500 -16.6500 -16.3548 -16.3548 -16.3171 -16.3171 -16.3112 -16.3112 -16.2504 -16.2504 -16.2092 -16.2092 -16.1946 -16.1946 -10.3394 -10.3394 -10.2397 -10.2397 -10.2379 -10.2379 -3.5808 -3.5808 0.6683 0.6683 0.6778 0.6778 0.7105 0.7105 1.0677 1.0677 1.0920 1.0920 1.2275 1.2275 1.3096 1.3096 2.0265 2.0265 2.0517 2.0517 4.0981 4.0981 4.3927 4.3927 4.4830 4.4830 8.1493 8.1493 8.1515 8.1515 8.2918 8.2918 8.9313 8.9313 9.4881 9.4881 9.4911 9.4911 k = 0.2604 0.2604 0.2604 ( 6746 PWs) bands (ev): -35.3733 -35.3733 -35.3688 -35.3688 -35.3688 -35.3688 -16.6787 -16.6787 -16.6729 -16.6729 -16.6506 -16.6506 -16.3570 -16.3570 -16.3164 -16.3164 -16.3109 -16.3109 -16.2517 -16.2517 -16.2085 -16.2085 -16.1944 -16.1944 -10.3301 -10.3301 -10.2370 -10.2370 -10.2351 -10.2351 -3.5650 -3.5650 0.6428 0.6428 0.6565 0.6565 0.6900 0.6900 1.0649 1.0649 1.0934 1.0934 1.2193 1.2193 1.2696 1.2696 2.0325 2.0325 2.0560 2.0560 4.0700 4.0700 4.3587 4.3587 4.4477 4.4477 8.2216 8.2216 8.2236 8.2236 8.3640 8.3640 8.9527 8.9527 9.5190 9.5190 9.5222 9.5222 k = 0.2708 0.2708 0.2708 ( 6752 PWs) bands (ev): -35.3730 -35.3730 -35.3689 -35.3689 -35.3689 -35.3689 -16.6793 -16.6793 -16.6735 -16.6735 -16.6511 -16.6511 -16.3592 -16.3592 -16.3158 -16.3158 -16.3106 -16.3106 -16.2532 -16.2532 -16.2078 -16.2078 -16.1943 -16.1943 -10.3208 -10.3208 -10.2343 -10.2343 -10.2323 -10.2323 -3.5490 -3.5490 0.6165 0.6165 0.6330 0.6330 0.6692 0.6692 1.0622 1.0622 1.0955 1.0955 1.2087 1.2087 1.2339 1.2339 2.0391 2.0391 2.0610 2.0610 4.0452 4.0452 4.3262 4.3262 4.4139 4.4139 8.2944 8.2944 8.2962 8.2962 8.4359 8.4359 8.9751 8.9751 9.5498 9.5498 9.5533 9.5533 k = 0.2812 0.2812 0.2812 ( 6752 PWs) bands (ev): -35.3728 -35.3728 -35.3690 -35.3690 -35.3690 -35.3690 -16.6799 -16.6799 -16.6743 -16.6743 -16.6516 -16.6516 -16.3613 -16.3613 -16.3151 -16.3151 -16.3103 -16.3103 -16.2547 -16.2547 -16.2069 -16.2069 -16.1941 -16.1941 -10.3116 -10.3116 -10.2316 -10.2316 -10.2296 -10.2296 -3.5328 -3.5328 0.5898 0.5898 0.6081 0.6081 0.6479 0.6479 1.0588 1.0588 1.0981 1.0981 1.1861 1.1861 1.2129 1.2129 2.0464 2.0464 2.0666 2.0666 4.0236 4.0236 4.2954 4.2954 4.3817 4.3817 8.3675 8.3675 8.3690 8.3690 8.5074 8.5074 8.9988 8.9988 9.5805 9.5805 9.5842 9.5842 k = 0.2917 0.2917 0.2917 ( 6752 PWs) bands (ev): -35.3726 -35.3726 -35.3691 -35.3691 -35.3691 -35.3691 -16.6805 -16.6805 -16.6751 -16.6751 -16.6520 -16.6520 -16.3635 -16.3635 -16.3145 -16.3145 -16.3099 -16.3099 -16.2563 -16.2563 -16.2059 -16.2059 -16.1939 -16.1939 -10.3025 -10.3025 -10.2290 -10.2290 -10.2268 -10.2268 -3.5166 -3.5166 0.5628 0.5628 0.5822 0.5822 0.6258 0.6258 1.0532 1.0532 1.1010 1.1010 1.1562 1.1562 1.2033 1.2033 2.0542 2.0542 2.0729 2.0729 4.0050 4.0050 4.2665 4.2665 4.3511 4.3511 8.4405 8.4405 8.4418 8.4418 8.5781 8.5781 9.0241 9.0241 9.6110 9.6110 9.6149 9.6149 k = 0.3021 0.3021 0.3021 ( 6761 PWs) bands (ev): -35.3724 -35.3724 -35.3692 -35.3692 -35.3692 -35.3692 -16.6811 -16.6811 -16.6760 -16.6760 -16.6523 -16.6523 -16.3656 -16.3656 -16.3138 -16.3138 -16.3096 -16.3096 -16.2578 -16.2578 -16.2049 -16.2049 -16.1937 -16.1937 -10.2936 -10.2936 -10.2264 -10.2264 -10.2241 -10.2241 -3.5004 -3.5004 0.5359 0.5359 0.5559 0.5559 0.6030 0.6030 1.0432 1.0432 1.1040 1.1040 1.1305 1.1305 1.1958 1.1958 2.0626 2.0626 2.0796 2.0796 3.9892 3.9892 4.2393 4.2393 4.3220 4.3220 8.5134 8.5134 8.5144 8.5144 8.6477 8.6477 9.0513 9.0513 9.6411 9.6411 9.6453 9.6453 k = 0.3125 0.3125 0.3125 ( 6770 PWs) bands (ev): -35.3722 -35.3722 -35.3693 -35.3693 -35.3693 -35.3693 -16.6818 -16.6818 -16.6770 -16.6770 -16.6526 -16.6526 -16.3677 -16.3677 -16.3132 -16.3132 -16.3093 -16.3093 -16.2594 -16.2594 -16.2038 -16.2038 -16.1935 -16.1935 -10.2849 -10.2849 -10.2239 -10.2239 -10.2215 -10.2215 -3.4843 -3.4843 0.5093 0.5093 0.5296 0.5296 0.5793 0.5793 1.0266 1.0266 1.1070 1.1070 1.1128 1.1128 1.1890 1.1890 2.0714 2.0714 2.0869 2.0869 3.9761 3.9761 4.2139 4.2139 4.2946 4.2946 8.5857 8.5857 8.5864 8.5864 8.7157 8.7157 9.0808 9.0808 9.6708 9.6708 9.6752 9.6752 k = 0.3229 0.3229 0.3229 ( 6761 PWs) bands (ev): -35.3720 -35.3720 -35.3694 -35.3694 -35.3694 -35.3694 -16.6824 -16.6824 -16.6780 -16.6780 -16.6528 -16.6528 -16.3697 -16.3697 -16.3126 -16.3126 -16.3090 -16.3090 -16.2609 -16.2609 -16.2027 -16.2027 -16.1933 -16.1933 -10.2763 -10.2763 -10.2214 -10.2214 -10.2189 -10.2189 -3.4683 -3.4683 0.4832 0.4832 0.5035 0.5035 0.5550 0.5550 1.0041 1.0041 1.1027 1.1027 1.1100 1.1100 1.1826 1.1826 2.0806 2.0806 2.0946 2.0946 3.9653 3.9653 4.1905 4.1905 4.2689 4.2689 8.6573 8.6573 8.6577 8.6577 8.7817 8.7817 9.1126 9.1126 9.7001 9.7001 9.7047 9.7047 k = 0.3333 0.3333 0.3333 ( 6755 PWs) bands (ev): -35.3718 -35.3718 -35.3695 -35.3695 -35.3695 -35.3695 -16.6830 -16.6830 -16.6789 -16.6789 -16.6530 -16.6530 -16.3717 -16.3717 -16.3120 -16.3120 -16.3087 -16.3087 -16.2624 -16.2624 -16.2015 -16.2015 -16.1930 -16.1930 -10.2681 -10.2681 -10.2190 -10.2190 -10.2164 -10.2164 -3.4526 -3.4526 0.4578 0.4578 0.4778 0.4778 0.5301 0.5301 0.9787 0.9787 1.0973 1.0973 1.1128 1.1128 1.1766 1.1766 2.0902 2.0902 2.1026 2.1026 3.9566 3.9566 4.1691 4.1691 4.2448 4.2448 8.7278 8.7278 8.7279 8.7279 8.8453 8.8453 9.1472 9.1472 9.7288 9.7288 9.7336 9.7336 k = 0.3438 0.3437 0.3437 ( 6761 PWs) bands (ev): -35.3717 -35.3717 -35.3695 -35.3695 -35.3695 -35.3695 -16.6836 -16.6836 -16.6799 -16.6799 -16.6531 -16.6531 -16.3736 -16.3736 -16.3114 -16.3114 -16.3085 -16.3085 -16.2639 -16.2639 -16.2004 -16.2004 -16.1928 -16.1928 -10.2602 -10.2602 -10.2167 -10.2167 -10.2139 -10.2139 -3.4373 -3.4373 0.4332 0.4332 0.4528 0.4528 0.5049 0.5049 0.9526 0.9526 1.0944 1.0944 1.1154 1.1154 1.1709 1.1709 2.0999 2.0999 2.1109 2.1109 3.9496 3.9496 4.1496 4.1496 4.2223 4.2223 8.7967 8.7967 8.7970 8.7970 8.9060 8.9060 9.1847 9.1847 9.7569 9.7569 9.7618 9.7618 k = 0.3542 0.3542 0.3542 ( 6761 PWs) bands (ev): -35.3715 -35.3715 -35.3696 -35.3696 -35.3696 -35.3696 -16.6842 -16.6842 -16.6809 -16.6809 -16.6533 -16.6533 -16.3754 -16.3754 -16.3108 -16.3108 -16.3083 -16.3083 -16.2653 -16.2653 -16.1993 -16.1993 -16.1925 -16.1925 -10.2526 -10.2526 -10.2145 -10.2145 -10.2116 -10.2116 -3.4223 -3.4223 0.4096 0.4096 0.4287 0.4287 0.4797 0.4797 0.9271 0.9271 1.0926 1.0926 1.1178 1.1178 1.1656 1.1656 2.1097 2.1097 2.1193 2.1193 3.9442 3.9442 4.1323 4.1323 4.2014 4.2014 8.8638 8.8638 8.8646 8.8646 8.9634 8.9634 9.2250 9.2250 9.7844 9.7844 9.7894 9.7894 k = 0.3646 0.3646 0.3646 ( 6773 PWs) bands (ev): -35.3713 -35.3713 -35.3697 -35.3697 -35.3697 -35.3697 -16.6849 -16.6849 -16.6819 -16.6819 -16.6534 -16.6534 -16.3772 -16.3772 -16.3103 -16.3103 -16.3080 -16.3080 -16.2666 -16.2666 -16.1983 -16.1983 -16.1923 -16.1923 -10.2453 -10.2453 -10.2124 -10.2124 -10.2094 -10.2094 -3.4078 -3.4078 0.3871 0.3871 0.4054 0.4054 0.4548 0.4548 0.9029 0.9029 1.0914 1.0914 1.1200 1.1200 1.1606 1.1606 2.1194 2.1194 2.1279 2.1279 3.9398 3.9398 4.1171 4.1171 4.1821 4.1821 8.9289 8.9289 8.9301 8.9301 9.0172 9.0172 9.2681 9.2681 9.8111 9.8111 9.8162 9.8162 k = 0.3750 0.3750 0.3750 ( 6764 PWs) bands (ev): -35.3712 -35.3712 -35.3698 -35.3698 -35.3698 -35.3698 -16.6854 -16.6854 -16.6828 -16.6828 -16.6535 -16.6535 -16.3788 -16.3788 -16.3097 -16.3097 -16.3078 -16.3078 -16.2678 -16.2678 -16.1972 -16.1972 -16.1920 -16.1920 -10.2385 -10.2385 -10.2104 -10.2104 -10.2073 -10.2073 -3.3939 -3.3939 0.3658 0.3658 0.3833 0.3833 0.4304 0.4304 0.8803 0.8803 1.0905 1.0905 1.1220 1.1220 1.1560 1.1560 2.1291 2.1291 2.1363 2.1363 3.9362 3.9362 4.1041 4.1041 4.1644 4.1644 8.9917 8.9917 8.9934 8.9934 9.0676 9.0676 9.3134 9.3134 9.8369 9.8370 9.8421 9.8421 k = 0.3854 0.3854 0.3854 ( 6782 PWs) bands (ev): -35.3710 -35.3710 -35.3699 -35.3699 -35.3699 -35.3699 -16.6860 -16.6860 -16.6838 -16.6838 -16.6536 -16.6536 -16.3804 -16.3804 -16.3093 -16.3093 -16.3076 -16.3076 -16.2690 -16.2690 -16.1962 -16.1962 -16.1918 -16.1918 -10.2321 -10.2321 -10.2085 -10.2085 -10.2053 -10.2053 -3.3808 -3.3808 0.3459 0.3459 0.3623 0.3623 0.4069 0.4069 0.8594 0.8594 1.0897 1.0897 1.1236 1.1236 1.1518 1.1518 2.1385 2.1385 2.1446 2.1446 3.9331 3.9331 4.0933 4.0933 4.1483 4.1483 9.0520 9.0520 9.0541 9.0541 9.1147 9.1147 9.3601 9.3601 9.8618 9.8619 9.8667 9.8667 k = 0.3958 0.3958 0.3958 ( 6794 PWs) bands (ev): -35.3709 -35.3709 -35.3699 -35.3699 -35.3699 -35.3699 -16.6865 -16.6865 -16.6846 -16.6846 -16.6537 -16.6537 -16.3818 -16.3818 -16.3089 -16.3089 -16.3075 -16.3075 -16.2701 -16.2701 -16.1953 -16.1953 -16.1916 -16.1916 -10.2262 -10.2262 -10.2067 -10.2067 -10.2035 -10.2035 -3.3683 -3.3683 0.3273 0.3273 0.3425 0.3425 0.3847 0.3847 0.8402 0.8402 1.0890 1.0890 1.1251 1.1251 1.1480 1.1480 2.1476 2.1476 2.1526 2.1526 3.9303 3.9303 4.0845 4.0845 4.1337 4.1337 9.1094 9.1094 9.1120 9.1120 9.1589 9.1589 9.4070 9.4070 9.8856 9.8859 9.8894 9.8900 k = 0.4062 0.4062 0.4062 ( 6776 PWs) bands (ev): -35.3708 -35.3708 -35.3700 -35.3700 -35.3700 -35.3700 -16.6869 -16.6869 -16.6854 -16.6854 -16.6537 -16.6537 -16.3831 -16.3831 -16.3084 -16.3084 -16.3073 -16.3073 -16.2711 -16.2711 -16.1944 -16.1944 -16.1914 -16.1914 -10.2208 -10.2208 -10.2051 -10.2051 -10.2017 -10.2017 -3.3568 -3.3568 0.3103 0.3103 0.3240 0.3240 0.3640 0.3640 0.8229 0.8229 1.0882 1.0882 1.1263 1.1263 1.1446 1.1446 2.1561 2.1561 2.1602 2.1602 3.9276 3.9276 4.0779 4.0779 4.1207 4.1207 9.1636 9.1636 9.1665 9.1665 9.2006 9.2006 9.4524 9.4524 9.8991 9.8991 9.9081 9.9114 k = 0.4167 0.4167 0.4167 ( 6776 PWs) bands (ev): -35.3707 -35.3707 -35.3700 -35.3700 -35.3700 -35.3700 -16.6874 -16.6874 -16.6861 -16.6861 -16.6537 -16.6537 -16.3843 -16.3843 -16.3081 -16.3081 -16.3071 -16.3071 -16.2719 -16.2719 -16.1936 -16.1936 -16.1912 -16.1912 -10.2159 -10.2159 -10.2037 -10.2037 -10.2002 -10.2002 -3.3462 -3.3462 0.2949 0.2949 0.3069 0.3069 0.3451 0.3451 0.8074 0.8074 1.0874 1.0874 1.1274 1.1274 1.1415 1.1415 2.1641 2.1641 2.1674 2.1674 3.9249 3.9249 4.0730 4.0730 4.1091 4.1091 9.2144 9.2144 9.2172 9.2172 9.2404 9.2404 9.4942 9.4942 9.8913 9.8913 9.9287 9.9356 k = 0.4271 0.4271 0.4271 ( 6782 PWs) bands (ev): -35.3706 -35.3706 -35.3701 -35.3701 -35.3701 -35.3701 -16.6878 -16.6878 -16.6868 -16.6868 -16.6538 -16.6538 -16.3854 -16.3854 -16.3077 -16.3077 -16.3070 -16.3070 -16.2727 -16.2727 -16.1928 -16.1928 -16.1910 -16.1910 -10.2116 -10.2116 -10.2024 -10.2024 -10.1987 -10.1987 -3.3366 -3.3366 0.2812 0.2812 0.2913 0.2913 0.3282 0.3282 0.7937 0.7937 1.0866 1.0866 1.1282 1.1282 1.1389 1.1389 2.1715 2.1715 2.1739 2.1739 3.9222 3.9222 4.0697 4.0697 4.0989 4.0989 9.2615 9.2615 9.2632 9.2632 9.2791 9.2791 9.5297 9.5297 9.8876 9.8876 9.9473 9.9516 k = 0.4375 0.4375 0.4375 ( 6776 PWs) bands (ev): -35.3705 -35.3705 -35.3701 -35.3701 -35.3701 -35.3701 -16.6881 -16.6881 -16.6874 -16.6874 -16.6538 -16.6538 -16.3863 -16.3863 -16.3074 -16.3074 -16.3069 -16.3069 -16.2734 -16.2734 -16.1922 -16.1922 -16.1908 -16.1908 -10.2078 -10.2078 -10.2013 -10.2013 -10.1974 -10.1974 -3.3282 -3.3282 0.2692 0.2692 0.2772 0.2772 0.3135 0.3135 0.7819 0.7819 1.0859 1.0859 1.1290 1.1290 1.1367 1.1367 2.1780 2.1780 2.1798 2.1798 3.9196 3.9196 4.0676 4.0676 4.0902 4.0902 9.3032 9.3032 9.3044 9.3044 9.3176 9.3176 9.5561 9.5561 9.8926 9.8926 9.9628 9.9644 k = 0.4479 0.4479 0.4479 ( 6779 PWs) bands (ev): -35.3704 -35.3704 -35.3702 -35.3702 -35.3701 -35.3701 -16.6884 -16.6884 -16.6879 -16.6879 -16.6539 -16.6539 -16.3871 -16.3871 -16.3072 -16.3072 -16.3068 -16.3068 -16.2740 -16.2740 -16.1916 -16.1916 -16.1907 -16.1907 -10.2047 -10.2047 -10.2003 -10.2003 -10.1962 -10.1962 -3.3209 -3.3209 0.2589 0.2589 0.2649 0.2649 0.3010 0.3010 0.7719 0.7719 1.0852 1.0852 1.1295 1.1295 1.1348 1.1348 2.1837 2.1837 2.1850 2.1850 3.9171 3.9171 4.0666 4.0666 4.0829 4.0829 9.3380 9.3380 9.3428 9.3428 9.3547 9.3547 9.5712 9.5712 9.9089 9.9089 9.9784 9.9814 k = 0.4583 0.4583 0.4583 ( 6779 PWs) bands (ev): -35.3703 -35.3703 -35.3702 -35.3702 -35.3702 -35.3702 -16.6887 -16.6887 -16.6883 -16.6883 -16.6539 -16.6539 -16.3878 -16.3878 -16.3070 -16.3070 -16.3067 -16.3067 -16.2745 -16.2745 -16.1912 -16.1912 -16.1905 -16.1905 -10.2022 -10.2022 -10.1995 -10.1995 -10.1952 -10.1952 -3.3148 -3.3148 0.2504 0.2504 0.2545 0.2545 0.2909 0.2909 0.7637 0.7637 1.0846 1.0846 1.1299 1.1299 1.1333 1.1333 2.1884 2.1884 2.1893 2.1893 3.9149 3.9149 4.0661 4.0661 4.0769 4.0769 9.3689 9.3689 9.3761 9.3761 9.3880 9.3880 9.5755 9.5755 9.9362 9.9362 9.9837 9.9862 k = 0.4688 0.4687 0.4687 ( 6776 PWs) bands (ev): -35.3703 -35.3703 -35.3702 -35.3702 -35.3702 -35.3702 -16.6889 -16.6889 -16.6887 -16.6887 -16.6539 -16.6539 -16.3883 -16.3883 -16.3068 -16.3068 -16.3066 -16.3066 -16.2749 -16.2749 -16.1908 -16.1908 -16.1904 -16.1904 -10.2003 -10.2003 -10.1989 -10.1989 -10.1943 -10.1943 -3.3101 -3.3101 0.2438 0.2438 0.2462 0.2462 0.2830 0.2830 0.7573 0.7573 1.0841 1.0841 1.1303 1.1303 1.1321 1.1321 2.1922 2.1922 2.1927 2.1927 3.9131 3.9131 4.0661 4.0661 4.0723 4.0723 9.3964 9.3964 9.4034 9.4034 9.4161 9.4161 9.5714 9.5714 9.9717 9.9717 9.9838 9.9867 k = 0.4792 0.4792 0.4792 ( 6776 PWs) bands (ev): -35.3703 -35.3703 -35.3702 -35.3702 -35.3702 -35.3702 -16.6890 -16.6890 -16.6889 -16.6889 -16.6539 -16.6539 -16.3887 -16.3887 -16.3067 -16.3067 -16.3066 -16.3066 -16.2751 -16.2751 -16.1905 -16.1905 -16.1904 -16.1904 -10.1990 -10.1990 -10.1984 -10.1984 -10.1936 -10.1936 -3.3066 -3.3066 0.2391 0.2391 0.2402 0.2402 0.2774 0.2774 0.7528 0.7528 1.0837 1.0837 1.1305 1.1305 1.1313 1.1313 2.1949 2.1949 2.1951 2.1951 3.9117 3.9117 4.0662 4.0662 4.0690 4.0690 9.4193 9.4193 9.4239 9.4239 9.4377 9.4377 9.5626 9.5626 9.9788 9.9797 9.9810 9.9938 k = 0.4896 0.4896 0.4896 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6891 -16.6891 -16.6891 -16.6891 -16.6539 -16.6539 -16.3889 -16.3889 -16.3066 -16.3066 -16.3066 -16.3066 -16.2753 -16.2753 -16.1904 -16.1904 -16.1903 -16.1903 -10.1983 -10.1983 -10.1981 -10.1981 -10.1931 -10.1931 -3.3046 -3.3046 0.2362 0.2362 0.2365 0.2365 0.2740 0.2740 0.7500 0.7500 1.0835 1.0835 1.1306 1.1306 1.1308 1.1308 2.1966 2.1966 2.1966 2.1966 3.9109 3.9109 4.0663 4.0663 4.0670 4.0670 9.4353 9.4353 9.4368 9.4368 9.4519 9.4519 9.5537 9.5537 9.9744 9.9747 9.9751 9.9779 k = 0.5000 0.5000 0.5000 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6891 -16.6891 -16.6891 -16.6891 -16.6539 -16.6539 -16.3890 -16.3890 -16.3066 -16.3066 -16.3066 -16.3066 -16.2753 -16.2753 -16.1903 -16.1903 -16.1903 -16.1903 -10.1980 -10.1980 -10.1980 -10.1980 -10.1929 -10.1929 -3.3039 -3.3039 0.2353 0.2353 0.2353 0.2353 0.2729 0.2729 0.7491 0.7491 1.0834 1.0834 1.1307 1.1307 1.1307 1.1307 2.1971 2.1971 2.1971 2.1971 3.9106 3.9106 4.0664 4.0664 4.0664 4.0664 9.4411 9.4411 9.4411 9.4411 9.4571 9.4571 9.5497 9.5497 9.9728 9.9728 9.9754 9.9765 k = 0.5000 0.5000 0.5000 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6891 -16.6891 -16.6891 -16.6891 -16.6539 -16.6539 -16.3890 -16.3890 -16.3066 -16.3066 -16.3066 -16.3066 -16.2753 -16.2753 -16.1903 -16.1903 -16.1903 -16.1903 -10.1980 -10.1980 -10.1980 -10.1980 -10.1929 -10.1929 -3.3039 -3.3039 0.2353 0.2353 0.2353 0.2353 0.2729 0.2729 0.7491 0.7491 1.0834 1.0834 1.1307 1.1307 1.1307 1.1307 2.1971 2.1971 2.1971 2.1971 3.9106 3.9106 4.0664 4.0664 4.0664 4.0664 9.4411 9.4411 9.4411 9.4411 9.4571 9.4571 9.5497 9.5497 9.9728 9.9728 9.9743 9.9759 k = 0.4872 0.5000 0.4872 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6891 -16.6891 -16.6891 -16.6891 -16.6539 -16.6539 -16.3889 -16.3889 -16.3066 -16.3066 -16.3066 -16.3066 -16.2753 -16.2753 -16.1904 -16.1904 -16.1903 -16.1903 -10.1983 -10.1983 -10.1981 -10.1981 -10.1931 -10.1931 -3.3046 -3.3046 0.2362 0.2362 0.2365 0.2365 0.2740 0.2740 0.7500 0.7500 1.0835 1.0835 1.1306 1.1306 1.1308 1.1308 2.1963 2.1963 2.1969 2.1969 3.9109 3.9109 4.0663 4.0663 4.0671 4.0671 9.4352 9.4352 9.4367 9.4367 9.4518 9.4518 9.5537 9.5537 9.9737 9.9750 9.9758 9.9784 k = 0.4744 0.5000 0.4744 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6890 -16.6890 -16.6889 -16.6889 -16.6539 -16.6539 -16.3887 -16.3887 -16.3067 -16.3067 -16.3065 -16.3065 -16.2751 -16.2751 -16.1905 -16.1905 -16.1904 -16.1904 -10.1990 -10.1990 -10.1984 -10.1984 -10.1936 -10.1936 -3.3067 -3.3067 0.2391 0.2391 0.2402 0.2402 0.2774 0.2774 0.7528 0.7528 1.0837 1.0837 1.1305 1.1305 1.1313 1.1313 2.1937 2.1937 2.1963 2.1963 3.9117 3.9117 4.0661 4.0661 4.0691 4.0691 9.4193 9.4193 9.4237 9.4237 9.4375 9.4375 9.5629 9.5629 9.9746 9.9785 9.9798 9.9832 k = 0.4615 0.5000 0.4615 ( 6768 PWs) bands (ev): -35.3703 -35.3703 -35.3702 -35.3702 -35.3702 -35.3702 -16.6889 -16.6889 -16.6887 -16.6887 -16.6539 -16.6539 -16.3883 -16.3883 -16.3069 -16.3069 -16.3065 -16.3065 -16.2748 -16.2748 -16.1908 -16.1908 -16.1904 -16.1904 -10.2002 -10.2002 -10.1990 -10.1990 -10.1942 -10.1942 -3.3101 -3.3101 0.2439 0.2439 0.2463 0.2463 0.2831 0.2831 0.7574 0.7574 1.0841 1.0841 1.1304 1.1304 1.1320 1.1320 2.1895 2.1895 2.1953 2.1953 3.9131 3.9131 4.0658 4.0658 4.0726 4.0726 9.3966 9.3966 9.4027 9.4027 9.4159 9.4159 9.5727 9.5727 9.9672 9.9673 9.9742 9.9849 k = 0.4487 0.5000 0.4487 ( 6780 PWs) bands (ev): -35.3703 -35.3703 -35.3702 -35.3702 -35.3702 -35.3702 -16.6887 -16.6887 -16.6883 -16.6883 -16.6539 -16.6539 -16.3878 -16.3878 -16.3071 -16.3071 -16.3065 -16.3065 -16.2745 -16.2745 -16.1912 -16.1912 -16.1905 -16.1905 -10.2018 -10.2018 -10.2001 -10.2001 -10.1950 -10.1950 -3.3149 -3.3149 0.2505 0.2505 0.2547 0.2547 0.2910 0.2910 0.7638 0.7638 1.0846 1.0846 1.1302 1.1302 1.1331 1.1331 2.1837 2.1837 2.1938 2.1938 3.9149 3.9149 4.0654 4.0654 4.0776 4.0776 9.3687 9.3687 9.3747 9.3747 9.3889 9.3889 9.5801 9.5801 9.9269 9.9269 9.9699 9.9825 k = 0.4359 0.5000 0.4359 ( 6784 PWs) bands (ev): -35.3704 -35.3704 -35.3702 -35.3702 -35.3701 -35.3701 -16.6884 -16.6884 -16.6879 -16.6879 -16.6539 -16.6539 -16.3871 -16.3871 -16.3075 -16.3075 -16.3065 -16.3065 -16.2740 -16.2740 -16.1917 -16.1917 -16.1906 -16.1906 -10.2039 -10.2039 -10.2017 -10.2017 -10.1956 -10.1956 -3.3210 -3.3210 0.2588 0.2588 0.2655 0.2655 0.3011 0.3011 0.7720 0.7720 1.0853 1.0853 1.1299 1.1299 1.1345 1.1345 2.1763 2.1763 2.1919 2.1919 3.9170 3.9170 4.0650 4.0650 4.0843 4.0843 9.3313 9.3313 9.3449 9.3449 9.3591 9.3591 9.5833 9.5833 9.8894 9.8894 9.9642 9.9663 k = 0.4231 0.5000 0.4231 ( 6776 PWs) bands (ev): -35.3704 -35.3704 -35.3702 -35.3702 -35.3701 -35.3701 -16.6881 -16.6881 -16.6874 -16.6874 -16.6538 -16.6538 -16.3863 -16.3863 -16.3078 -16.3078 -16.3065 -16.3065 -16.2734 -16.2734 -16.1923 -16.1923 -16.1907 -16.1907 -10.2065 -10.2065 -10.2039 -10.2039 -10.1962 -10.1962 -3.3283 -3.3283 0.2687 0.2687 0.2784 0.2784 0.3135 0.3135 0.7821 0.7821 1.0860 1.0860 1.1295 1.1295 1.1361 1.1361 2.1676 2.1676 2.1896 2.1896 3.9194 3.9194 4.0646 4.0646 4.0927 4.0927 9.2837 9.2837 9.3153 9.3153 9.3277 9.3277 9.5815 9.5815 9.8560 9.8560 9.9555 9.9560 k = 0.4103 0.5000 0.4103 ( 6780 PWs) bands (ev): -35.3705 -35.3705 -35.3702 -35.3702 -35.3700 -35.3700 -16.6878 -16.6878 -16.6868 -16.6868 -16.6538 -16.6538 -16.3853 -16.3853 -16.3083 -16.3083 -16.3065 -16.3065 -16.2727 -16.2727 -16.1930 -16.1930 -16.1909 -16.1909 -10.2095 -10.2095 -10.2067 -10.2067 -10.1966 -10.1966 -3.3367 -3.3367 0.2801 0.2801 0.2933 0.2933 0.3279 0.3279 0.7940 0.7940 1.0869 1.0869 1.1291 1.1291 1.1381 1.1381 2.1576 2.1576 2.1869 2.1869 3.9220 3.9220 4.0644 4.0644 4.1030 4.1030 9.2283 9.2283 9.2852 9.2852 9.2957 9.2957 9.5741 9.5741 9.8267 9.8267 9.9429 9.9432 k = 0.3974 0.5000 0.3974 ( 6776 PWs) bands (ev): -35.3706 -35.3706 -35.3702 -35.3702 -35.3699 -35.3699 -16.6874 -16.6874 -16.6861 -16.6861 -16.6538 -16.6538 -16.3842 -16.3842 -16.3088 -16.3088 -16.3065 -16.3065 -16.2719 -16.2719 -16.1938 -16.1938 -16.1910 -16.1910 -10.2128 -10.2128 -10.2099 -10.2099 -10.1970 -10.1970 -3.3462 -3.3462 0.2930 0.2930 0.3102 0.3102 0.3444 0.3444 0.8076 0.8076 1.0879 1.0879 1.1287 1.1287 1.1403 1.1403 2.1464 2.1464 2.1837 2.1837 3.9248 3.9248 4.0645 4.0645 4.1152 4.1152 9.1666 9.1666 9.2542 9.2542 9.2637 9.2637 9.5610 9.5610 9.8013 9.8013 9.9268 9.9268 k = 0.3846 0.5000 0.3846 ( 6780 PWs) bands (ev): -35.3706 -35.3706 -35.3702 -35.3702 -35.3698 -35.3698 -16.6870 -16.6870 -16.6853 -16.6853 -16.6537 -16.6537 -16.3830 -16.3830 -16.3093 -16.3093 -16.3064 -16.3064 -16.2710 -16.2710 -16.1947 -16.1947 -16.1912 -16.1912 -10.2166 -10.2166 -10.2135 -10.2135 -10.1973 -10.1973 -3.3567 -3.3567 0.3072 0.3072 0.3287 0.3287 0.3627 0.3627 0.8230 0.8230 1.0889 1.0889 1.1281 1.1281 1.1427 1.1427 2.1342 2.1342 2.1801 2.1801 3.9276 3.9276 4.0650 4.0650 4.1294 4.1294 9.0997 9.0997 9.2224 9.2224 9.2324 9.2324 9.5426 9.5426 9.7792 9.7792 9.9074 9.9075 k = 0.3718 0.5000 0.3718 ( 6782 PWs) bands (ev): -35.3707 -35.3707 -35.3702 -35.3702 -35.3698 -35.3698 -16.6865 -16.6865 -16.6845 -16.6845 -16.6537 -16.6537 -16.3817 -16.3817 -16.3099 -16.3099 -16.3064 -16.3064 -16.2700 -16.2700 -16.1956 -16.1956 -16.1914 -16.1914 -10.2207 -10.2207 -10.2176 -10.2176 -10.1977 -10.1977 -3.3680 -3.3680 0.3227 0.3227 0.3488 0.3488 0.3827 0.3827 0.8401 0.8401 1.0900 1.0900 1.1275 1.1275 1.1454 1.1454 2.1212 2.1212 2.1761 2.1761 3.9305 3.9305 4.0661 4.0661 4.1455 4.1455 9.0289 9.0289 9.1899 9.1899 9.2021 9.2021 9.5192 9.5192 9.7598 9.7598 9.8854 9.8854 k = 0.3590 0.5000 0.3590 ( 6774 PWs) bands (ev): -35.3708 -35.3708 -35.3702 -35.3702 -35.3697 -35.3697 -16.6860 -16.6860 -16.6836 -16.6836 -16.6536 -16.6536 -16.3803 -16.3803 -16.3106 -16.3106 -16.3064 -16.3064 -16.2689 -16.2689 -16.1966 -16.1966 -16.1916 -16.1916 -10.2252 -10.2252 -10.2219 -10.2219 -10.1980 -10.1980 -3.3801 -3.3801 0.3395 0.3395 0.3702 0.3702 0.4043 0.4043 0.8589 0.8589 1.0913 1.0913 1.1267 1.1267 1.1483 1.1483 2.1076 2.1076 2.1716 2.1716 3.9334 3.9334 4.0680 4.0680 4.1637 4.1637 8.9551 8.9551 9.1572 9.1572 9.1725 9.1725 9.4913 9.4913 9.7426 9.7426 9.8612 9.8612 k = 0.3462 0.5000 0.3462 ( 6768 PWs) bands (ev): -35.3709 -35.3709 -35.3702 -35.3702 -35.3696 -35.3696 -16.6855 -16.6855 -16.6827 -16.6827 -16.6536 -16.6536 -16.3787 -16.3787 -16.3113 -16.3113 -16.3064 -16.3064 -16.2678 -16.2678 -16.1977 -16.1977 -16.1918 -16.1918 -10.2300 -10.2300 -10.2266 -10.2266 -10.1984 -10.1984 -3.3929 -3.3929 0.3575 0.3575 0.3926 0.3926 0.4273 0.4273 0.8794 0.8794 1.0927 1.0927 1.1258 1.1258 1.1514 1.1514 2.0934 2.0934 2.1667 2.1667 3.9362 3.9362 4.0710 4.0710 4.1836 4.1836 8.8791 8.8791 9.1248 9.1248 9.1435 9.1435 9.4595 9.4595 9.7273 9.7273 9.8352 9.8352 k = 0.3333 0.5000 0.3333 ( 6774 PWs) bands (ev): -35.3710 -35.3710 -35.3703 -35.3703 -35.3695 -35.3695 -16.6850 -16.6850 -16.6817 -16.6817 -16.6535 -16.6535 -16.3771 -16.3771 -16.3121 -16.3121 -16.3065 -16.3065 -16.2665 -16.2665 -16.1988 -16.1988 -16.1920 -16.1920 -10.2350 -10.2350 -10.2315 -10.2315 -10.1988 -10.1988 -3.4062 -3.4062 0.3765 0.3765 0.4158 0.4158 0.4515 0.4515 0.9013 0.9013 1.0944 1.0944 1.1247 1.1247 1.1546 1.1546 2.0790 2.0790 2.1614 2.1614 3.9388 3.9388 4.0755 4.0755 4.2053 4.2053 8.8017 8.8017 9.0928 9.0928 9.1149 9.1149 9.4244 9.4244 9.7133 9.7133 9.8079 9.8079 k = 0.3205 0.5000 0.3205 ( 6772 PWs) bands (ev): -35.3711 -35.3711 -35.3703 -35.3703 -35.3693 -35.3693 -16.6844 -16.6844 -16.6807 -16.6807 -16.6535 -16.6535 -16.3753 -16.3753 -16.3129 -16.3129 -16.3065 -16.3065 -16.2652 -16.2652 -16.2000 -16.2000 -16.1923 -16.1923 -10.2403 -10.2403 -10.2367 -10.2367 -10.1992 -10.1992 -3.4200 -3.4200 0.3966 0.3966 0.4393 0.4393 0.4769 0.4769 0.9246 0.9246 1.0964 1.0964 1.1234 1.1234 1.1580 1.1580 2.0645 2.0645 2.1556 2.1556 3.9411 3.9411 4.0817 4.0817 4.2287 4.2287 8.7233 8.7233 9.0616 9.0616 9.0868 9.0868 9.3865 9.3865 9.7005 9.7005 9.7796 9.7796 k = 0.3077 0.5000 0.3077 ( 6772 PWs) bands (ev): -35.3713 -35.3713 -35.3703 -35.3703 -35.3692 -35.3692 -16.6839 -16.6839 -16.6797 -16.6797 -16.6535 -16.6535 -16.3735 -16.3735 -16.3137 -16.3137 -16.3065 -16.3065 -16.2638 -16.2638 -16.2012 -16.2012 -16.1926 -16.1926 -10.2459 -10.2459 -10.2420 -10.2420 -10.1996 -10.1996 -3.4341 -3.4341 0.4177 0.4177 0.4629 0.4629 0.5033 0.5033 0.9491 0.9491 1.0989 1.0989 1.1220 1.1220 1.1614 1.1614 2.0501 2.0501 2.1493 2.1493 3.9428 3.9428 4.0902 4.0902 4.2536 4.2536 8.6444 8.6444 9.0312 9.0312 9.0590 9.0590 9.3464 9.3464 9.6883 9.6883 9.7506 9.7506 k = 0.2949 0.5000 0.2949 ( 6766 PWs) bands (ev): -35.3714 -35.3714 -35.3703 -35.3703 -35.3691 -35.3691 -16.6833 -16.6833 -16.6786 -16.6786 -16.6534 -16.6534 -16.3716 -16.3716 -16.3145 -16.3145 -16.3066 -16.3066 -16.2623 -16.2623 -16.2024 -16.2024 -16.1929 -16.1929 -10.2516 -10.2516 -10.2475 -10.2475 -10.2000 -10.2000 -3.4484 -3.4484 0.4395 0.4395 0.4861 0.4861 0.5306 0.5306 0.9741 0.9741 1.1021 1.1021 1.1206 1.1206 1.1649 1.1649 2.0359 2.0359 2.1426 2.1426 3.9438 3.9438 4.1012 4.1012 4.2799 4.2799 8.5655 8.5655 9.0017 9.0017 9.0316 9.0316 9.3046 9.3046 9.6764 9.6764 9.7214 9.7214 k = 0.2821 0.5000 0.2821 ( 6764 PWs) bands (ev): -35.3715 -35.3715 -35.3703 -35.3703 -35.3690 -35.3690 -16.6827 -16.6827 -16.6775 -16.6775 -16.6533 -16.6533 -16.3696 -16.3696 -16.3154 -16.3154 -16.3067 -16.3067 -16.2607 -16.2607 -16.2036 -16.2036 -16.1932 -16.1932 -10.2574 -10.2574 -10.2531 -10.2531 -10.2004 -10.2004 -3.4629 -3.4629 0.4622 0.4622 0.5088 0.5088 0.5587 0.5587 0.9991 0.9991 1.1064 1.1064 1.1196 1.1196 1.1684 1.1684 2.0221 2.0221 2.1354 2.1354 3.9440 3.9440 4.1152 4.1152 4.3074 4.3074 8.4868 8.4868 8.9731 8.9731 9.0046 9.0046 9.2615 9.2615 9.6640 9.6640 9.6924 9.6924 k = 0.2692 0.5000 0.2692 ( 6758 PWs) bands (ev): -35.3716 -35.3716 -35.3703 -35.3703 -35.3689 -35.3689 -16.6821 -16.6821 -16.6764 -16.6764 -16.6533 -16.6533 -16.3675 -16.3675 -16.3163 -16.3163 -16.3068 -16.3068 -16.2591 -16.2591 -16.2049 -16.2049 -16.1934 -16.1934 -10.2634 -10.2634 -10.2588 -10.2588 -10.2008 -10.2008 -3.4775 -3.4775 0.4854 0.4854 0.5307 0.5307 0.5874 0.5874 1.0224 1.0224 1.1108 1.1108 1.1214 1.1214 1.1718 1.1718 2.0088 2.0088 2.1278 2.1278 3.9433 3.9433 4.1321 4.1321 4.3360 4.3360 8.4087 8.4087 8.9456 8.9456 8.9779 8.9779 9.2176 9.2176 9.6493 9.6493 9.6649 9.6649 k = 0.2564 0.5000 0.2564 ( 6754 PWs) bands (ev): -35.3718 -35.3718 -35.3703 -35.3703 -35.3687 -35.3687 -16.6816 -16.6816 -16.6753 -16.6753 -16.6532 -16.6532 -16.3654 -16.3654 -16.3172 -16.3172 -16.3070 -16.3070 -16.2575 -16.2575 -16.2061 -16.2061 -16.1938 -16.1938 -10.2694 -10.2694 -10.2645 -10.2645 -10.2012 -10.2012 -3.4919 -3.4919 0.5092 0.5092 0.5516 0.5516 0.6165 0.6165 1.0418 1.0418 1.1116 1.1116 1.1316 1.1316 1.1753 1.1753 1.9962 1.9962 2.1198 2.1198 3.9416 3.9416 4.1523 4.1523 4.3655 4.3655 8.3313 8.3313 8.9192 8.9192 8.9515 8.9515 9.1735 9.1735 9.6279 9.6279 9.6426 9.6426 k = 0.2436 0.5000 0.2436 ( 6754 PWs) bands (ev): -35.3719 -35.3719 -35.3703 -35.3703 -35.3686 -35.3686 -16.6810 -16.6810 -16.6742 -16.6742 -16.6532 -16.6532 -16.3633 -16.3633 -16.3181 -16.3181 -16.3072 -16.3072 -16.2558 -16.2558 -16.2073 -16.2073 -16.1941 -16.1941 -10.2755 -10.2755 -10.2702 -10.2702 -10.2016 -10.2016 -3.5063 -3.5063 0.5334 0.5334 0.5713 0.5713 0.6457 0.6457 1.0553 1.0553 1.1108 1.1108 1.1498 1.1498 1.1792 1.1792 1.9843 1.9843 2.1113 2.1113 3.9391 3.9391 4.1757 4.1757 4.3957 4.3957 8.2548 8.2548 8.8940 8.8940 8.9254 8.9254 9.1293 9.1293 9.6011 9.6011 9.6229 9.6229 k = 0.2308 0.5000 0.2308 ( 6754 PWs) bands (ev): -35.3720 -35.3720 -35.3703 -35.3703 -35.3685 -35.3685 -16.6806 -16.6806 -16.6731 -16.6731 -16.6531 -16.6531 -16.3611 -16.3611 -16.3191 -16.3191 -16.3074 -16.3074 -16.2541 -16.2541 -16.2086 -16.2086 -16.1944 -16.1944 -10.2815 -10.2815 -10.2759 -10.2759 -10.2020 -10.2020 -3.5204 -3.5204 0.5579 0.5579 0.5898 0.5898 0.6750 0.6750 1.0627 1.0627 1.1100 1.1100 1.1711 1.1711 1.1867 1.1867 1.9732 1.9732 2.1023 2.1023 3.9356 3.9356 4.2022 4.2022 4.4265 4.4265 8.1795 8.1795 8.8700 8.8700 8.8996 8.8996 9.0856 9.0856 9.5736 9.5736 9.5995 9.5995 k = 0.2179 0.5000 0.2179 ( 6752 PWs) bands (ev): -35.3722 -35.3722 -35.3703 -35.3703 -35.3684 -35.3684 -16.6801 -16.6801 -16.6720 -16.6720 -16.6531 -16.6531 -16.3589 -16.3589 -16.3200 -16.3200 -16.3077 -16.3077 -16.2524 -16.2524 -16.2098 -16.2098 -16.1948 -16.1948 -10.2875 -10.2875 -10.2815 -10.2815 -10.2024 -10.2024 -3.5341 -3.5341 0.5824 0.5824 0.6070 0.6070 0.7041 0.7041 1.0657 1.0657 1.1098 1.1098 1.1801 1.1801 1.2108 1.2108 1.9630 1.9630 2.0930 2.0930 3.9315 3.9315 4.2316 4.2316 4.4575 4.4575 8.1054 8.1054 8.8472 8.8472 8.8742 8.8742 9.0426 9.0426 9.5463 9.5464 9.5700 9.5700 k = 0.2051 0.5000 0.2051 ( 6760 PWs) bands (ev): -35.3723 -35.3723 -35.3703 -35.3703 -35.3682 -35.3682 -16.6797 -16.6797 -16.6709 -16.6709 -16.6531 -16.6531 -16.3567 -16.3567 -16.3209 -16.3209 -16.3080 -16.3080 -16.2507 -16.2507 -16.2109 -16.2109 -16.1952 -16.1952 -10.2934 -10.2934 -10.2870 -10.2870 -10.2028 -10.2028 -3.5475 -3.5475 0.6067 0.6067 0.6231 0.6231 0.7327 0.7327 1.0655 1.0655 1.1104 1.1104 1.1834 1.1834 1.2433 1.2433 1.9537 1.9537 2.0832 2.0832 3.9267 3.9267 4.2639 4.2639 4.4888 4.4888 8.0329 8.0329 8.8258 8.8258 8.8490 8.8490 9.0008 9.0008 9.5194 9.5194 9.5340 9.5340 k = 0.1923 0.5000 0.1923 ( 6764 PWs) bands (ev): -35.3724 -35.3724 -35.3703 -35.3703 -35.3681 -35.3681 -16.6793 -16.6793 -16.6698 -16.6698 -16.6530 -16.6530 -16.3545 -16.3545 -16.3218 -16.3218 -16.3084 -16.3084 -16.2490 -16.2490 -16.2121 -16.2121 -16.1955 -16.1955 -10.2991 -10.2991 -10.2924 -10.2924 -10.2032 -10.2032 -3.5604 -3.5604 0.6296 0.6296 0.6391 0.6391 0.7608 0.7608 1.0633 1.0633 1.1115 1.1115 1.1856 1.1856 1.2784 1.2784 1.9453 1.9453 2.0729 2.0729 3.9213 3.9213 4.2986 4.2986 4.5200 4.5200 7.9619 7.9619 8.8056 8.8056 8.8243 8.8243 8.9605 8.9605 9.4886 9.4886 9.4966 9.4966 k = 0.1795 0.5000 0.1795 ( 6760 PWs) bands (ev): -35.3725 -35.3725 -35.3703 -35.3703 -35.3680 -35.3680 -16.6789 -16.6789 -16.6688 -16.6688 -16.6530 -16.6530 -16.3523 -16.3523 -16.3226 -16.3226 -16.3088 -16.3088 -16.2473 -16.2473 -16.2132 -16.2132 -16.1959 -16.1959 -10.3047 -10.3047 -10.2976 -10.2976 -10.2036 -10.2036 -3.5728 -3.5728 0.6468 0.6468 0.6591 0.6591 0.7881 0.7881 1.0598 1.0598 1.1130 1.1130 1.1872 1.1872 1.3148 1.3148 1.9377 1.9377 2.0623 2.0623 3.9154 3.9154 4.3355 4.3355 4.5509 4.5509 7.8926 7.8926 8.7868 8.7868 8.7999 8.7999 8.9220 8.9220 9.4433 9.4433 9.4699 9.4700 k = 0.1667 0.5000 0.1667 ( 6792 PWs) bands (ev): -35.3727 -35.3727 -35.3703 -35.3703 -35.3679 -35.3679 -16.6786 -16.6786 -16.6678 -16.6678 -16.6530 -16.6530 -16.3501 -16.3501 -16.3235 -16.3235 -16.3093 -16.3093 -16.2457 -16.2457 -16.2142 -16.2142 -16.1963 -16.1963 -10.3101 -10.3101 -10.3026 -10.3026 -10.2040 -10.2040 -3.5846 -3.5846 0.6593 0.6593 0.6821 0.6821 0.8145 0.8145 1.0554 1.0554 1.1146 1.1146 1.1884 1.1884 1.3519 1.3519 1.9310 1.9310 2.0514 2.0514 3.9091 3.9091 4.3741 4.3741 4.5814 4.5814 7.8252 7.8252 8.7692 8.7692 8.7761 8.7761 8.8856 8.8856 9.3939 9.3939 9.4454 9.4578 k = 0.1538 0.5000 0.1538 ( 6768 PWs) bands (ev): -35.3728 -35.3728 -35.3703 -35.3703 -35.3678 -35.3678 -16.6783 -16.6783 -16.6668 -16.6668 -16.6530 -16.6530 -16.3479 -16.3479 -16.3242 -16.3242 -16.3098 -16.3098 -16.2441 -16.2441 -16.2152 -16.2152 -16.1966 -16.1966 -10.3153 -10.3153 -10.3073 -10.3073 -10.2043 -10.2043 -3.5957 -3.5957 0.6697 0.6697 0.7052 0.7052 0.8398 0.8398 1.0506 1.0506 1.1162 1.1162 1.1891 1.1891 1.3893 1.3893 1.9250 1.9250 2.0400 2.0400 3.9026 3.9026 4.4139 4.4139 4.6114 4.6114 7.7600 7.7600 8.7507 8.7507 8.7549 8.7549 8.8517 8.8517 9.3432 9.3432 9.4177 9.4183 k = 0.1410 0.5000 0.1410 ( 6764 PWs) bands (ev): -35.3729 -35.3729 -35.3703 -35.3703 -35.3677 -35.3677 -16.6780 -16.6780 -16.6658 -16.6658 -16.6530 -16.6530 -16.3457 -16.3457 -16.3249 -16.3249 -16.3104 -16.3104 -16.2425 -16.2425 -16.2161 -16.2161 -16.1969 -16.1969 -10.3201 -10.3201 -10.3118 -10.3118 -10.2046 -10.2046 -3.6062 -3.6062 0.6788 0.6788 0.7277 0.7277 0.8638 0.8638 1.0456 1.0456 1.1176 1.1176 1.1894 1.1894 1.4265 1.4265 1.9198 1.9198 2.0284 2.0284 3.8959 3.8959 4.4543 4.4543 4.6405 4.6405 7.6972 7.6972 8.7282 8.7282 8.7395 8.7395 8.8206 8.8206 9.2924 9.2924 9.3682 9.3682 k = 0.1282 0.5000 0.1282 ( 6766 PWs) bands (ev): -35.3730 -35.3730 -35.3703 -35.3703 -35.3676 -35.3676 -16.6778 -16.6778 -16.6649 -16.6649 -16.6530 -16.6530 -16.3436 -16.3436 -16.3256 -16.3256 -16.3111 -16.3111 -16.2410 -16.2410 -16.2170 -16.2170 -16.1972 -16.1972 -10.3247 -10.3247 -10.3160 -10.3160 -10.2049 -10.2049 -3.6159 -3.6159 0.6866 0.6866 0.7494 0.7494 0.8864 0.8864 1.0407 1.0407 1.1188 1.1188 1.1893 1.1893 1.4631 1.4631 1.9151 1.9151 2.0166 2.0166 3.8892 3.8892 4.4947 4.4947 4.6687 4.6687 7.6371 7.6371 8.7055 8.7055 8.7261 8.7261 8.7924 8.7924 9.2429 9.2429 9.3204 9.3204 k = 0.1154 0.5000 0.1154 ( 6774 PWs) bands (ev): -35.3731 -35.3731 -35.3703 -35.3703 -35.3675 -35.3675 -16.6776 -16.6776 -16.6641 -16.6641 -16.6531 -16.6531 -16.3416 -16.3416 -16.3263 -16.3263 -16.3118 -16.3118 -16.2397 -16.2397 -16.2178 -16.2178 -16.1976 -16.1976 -10.3289 -10.3289 -10.3199 -10.3199 -10.2052 -10.2052 -3.6248 -3.6248 0.6934 0.6934 0.7700 0.7700 0.9075 0.9075 1.0361 1.0361 1.1196 1.1196 1.1889 1.1889 1.4989 1.4989 1.9109 1.9109 2.0045 2.0045 3.8826 3.8826 4.5342 4.5342 4.6958 4.6958 7.5801 7.5801 8.6834 8.6834 8.7142 8.7142 8.7674 8.7674 9.1953 9.1953 9.2755 9.2755 k = 0.1026 0.5000 0.1026 ( 6760 PWs) bands (ev): -35.3732 -35.3732 -35.3703 -35.3703 -35.3674 -35.3674 -16.6774 -16.6774 -16.6632 -16.6632 -16.6531 -16.6531 -16.3396 -16.3396 -16.3268 -16.3268 -16.3126 -16.3126 -16.2383 -16.2383 -16.2185 -16.2185 -16.1978 -16.1978 -10.3328 -10.3328 -10.3234 -10.3234 -10.2055 -10.2055 -3.6328 -3.6328 0.6991 0.6991 0.7893 0.7893 0.9268 0.9268 1.0318 1.0318 1.1200 1.1200 1.1883 1.1883 1.5335 1.5335 1.9070 1.9070 1.9925 1.9925 3.8761 3.8761 4.5719 4.5719 4.7217 4.7217 7.5266 7.5266 8.6621 8.6621 8.7036 8.7036 8.7456 8.7456 9.1507 9.1507 9.2342 9.2343 k = 0.0897 0.5000 0.0897 ( 6758 PWs) bands (ev): -35.3732 -35.3732 -35.3703 -35.3703 -35.3673 -35.3673 -16.6773 -16.6773 -16.6625 -16.6625 -16.6532 -16.6532 -16.3377 -16.3377 -16.3273 -16.3273 -16.3134 -16.3134 -16.2371 -16.2371 -16.2192 -16.2192 -16.1981 -16.1981 -10.3362 -10.3362 -10.3266 -10.3266 -10.2057 -10.2057 -3.6400 -3.6400 0.7040 0.7040 0.8071 0.8071 0.9442 0.9442 1.0282 1.0282 1.1198 1.1198 1.1875 1.1875 1.5666 1.5666 1.9031 1.9031 1.9806 1.9806 3.8700 3.8700 4.6071 4.6071 4.7464 4.7464 7.4772 7.4772 8.6422 8.6422 8.6942 8.6942 8.7269 8.7269 9.1096 9.1096 9.1969 9.1969 k = 0.0769 0.5000 0.0769 ( 6764 PWs) bands (ev): -35.3733 -35.3733 -35.3703 -35.3703 -35.3673 -35.3673 -16.6772 -16.6772 -16.6618 -16.6618 -16.6533 -16.6533 -16.3360 -16.3360 -16.3277 -16.3277 -16.3143 -16.3143 -16.2361 -16.2361 -16.2198 -16.2198 -16.1984 -16.1984 -10.3393 -10.3393 -10.3293 -10.3293 -10.2059 -10.2059 -3.6463 -3.6463 0.7080 0.7080 0.8230 0.8230 0.9596 0.9596 1.0253 1.0253 1.1192 1.1192 1.1866 1.1866 1.5978 1.5978 1.8991 1.8991 1.9692 1.9692 3.8644 3.8644 4.6387 4.6387 4.7695 4.7695 7.4324 7.4324 8.6239 8.6239 8.6859 8.6859 8.7113 8.7113 9.0728 9.0728 9.1640 9.1640 k = 0.0641 0.5000 0.0641 ( 6772 PWs) bands (ev): -35.3734 -35.3734 -35.3703 -35.3703 -35.3672 -35.3672 -16.6771 -16.6771 -16.6611 -16.6611 -16.6534 -16.6534 -16.3343 -16.3343 -16.3280 -16.3280 -16.3152 -16.3152 -16.2351 -16.2351 -16.2203 -16.2203 -16.1986 -16.1986 -10.3419 -10.3419 -10.3317 -10.3317 -10.2061 -10.2061 -3.6517 -3.6517 0.7113 0.7113 0.8369 0.8369 0.9726 0.9726 1.0234 1.0234 1.1182 1.1182 1.1858 1.1858 1.6266 1.6266 1.8947 1.8947 1.9587 1.9587 3.8594 3.8594 4.6661 4.6661 4.7907 4.7907 7.3930 7.3930 8.6077 8.6077 8.6787 8.6787 8.6986 8.6986 9.0408 9.0408 9.1356 9.1356 k = 0.0513 0.5000 0.0513 ( 6764 PWs) bands (ev): -35.3734 -35.3734 -35.3703 -35.3703 -35.3672 -35.3672 -16.6771 -16.6771 -16.6606 -16.6606 -16.6535 -16.6535 -16.3329 -16.3329 -16.3281 -16.3281 -16.3161 -16.3161 -16.2343 -16.2343 -16.2207 -16.2207 -16.1988 -16.1988 -10.3440 -10.3440 -10.3337 -10.3337 -10.2062 -10.2062 -3.6561 -3.6561 0.7139 0.7139 0.8486 0.8486 0.9831 0.9831 1.0224 1.0224 1.1169 1.1169 1.1849 1.1849 1.6525 1.6525 1.8896 1.8896 1.9496 1.9496 3.8551 3.8551 4.6888 4.6888 4.8097 4.8097 7.3595 7.3595 8.5940 8.5940 8.6725 8.6725 8.6889 8.6889 9.0140 9.0140 9.1121 9.1121 k = 0.0385 0.5000 0.0385 ( 6788 PWs) bands (ev): -35.3735 -35.3735 -35.3704 -35.3704 -35.3672 -35.3672 -16.6770 -16.6770 -16.6602 -16.6602 -16.6537 -16.6537 -16.3319 -16.3319 -16.3280 -16.3280 -16.3170 -16.3170 -16.2337 -16.2337 -16.2211 -16.2211 -16.1990 -16.1990 -10.3457 -10.3457 -10.3353 -10.3353 -10.2063 -10.2063 -3.6596 -3.6596 0.7159 0.7159 0.8579 0.8579 0.9908 0.9908 1.0226 1.0226 1.1155 1.1155 1.1843 1.1843 1.6747 1.6747 1.8839 1.8839 1.9425 1.9425 3.8516 3.8516 4.7063 4.7063 4.8256 4.8256 7.3325 7.3325 8.5830 8.5830 8.6673 8.6673 8.6818 8.6818 8.9928 8.9928 9.0936 9.0936 k = 0.0256 0.5000 0.0256 ( 6788 PWs) bands (ev): -35.3735 -35.3735 -35.3704 -35.3704 -35.3671 -35.3671 -16.6770 -16.6770 -16.6598 -16.6598 -16.6538 -16.6538 -16.3312 -16.3312 -16.3278 -16.3278 -16.3178 -16.3178 -16.2333 -16.2333 -16.2213 -16.2213 -16.1991 -16.1991 -10.3470 -10.3470 -10.3364 -10.3364 -10.2064 -10.2064 -3.6620 -3.6620 0.7173 0.7173 0.8646 0.8646 0.9958 0.9958 1.0234 1.0234 1.1142 1.1142 1.1837 1.1837 1.6922 1.6922 1.8782 1.8782 1.9375 1.9375 3.8490 3.8490 4.7188 4.7188 4.8376 4.8376 7.3129 7.3129 8.5749 8.5749 8.6632 8.6632 8.6771 8.6771 8.9774 8.9774 9.0803 9.0803 k = 0.0128 0.5000 0.0128 ( 6816 PWs) bands (ev): -35.3735 -35.3735 -35.3704 -35.3704 -35.3671 -35.3671 -16.6771 -16.6771 -16.6596 -16.6596 -16.6538 -16.6538 -16.3309 -16.3309 -16.3275 -16.3275 -16.3184 -16.3184 -16.2331 -16.2331 -16.2215 -16.2215 -16.1992 -16.1992 -10.3477 -10.3477 -10.3370 -10.3370 -10.2065 -10.2065 -3.6635 -3.6635 0.7181 0.7181 0.8686 0.8686 0.9985 0.9985 1.0244 1.0244 1.1133 1.1133 1.1834 1.1834 1.7036 1.7036 1.8738 1.8738 1.9346 1.9346 3.8475 3.8475 4.7263 4.7263 4.8452 4.8452 7.3009 7.3009 8.5701 8.5701 8.6606 8.6606 8.6744 8.6744 8.9681 8.9681 9.0723 9.0723 k = 0.0000 0.5000-0.0000 ( 6816 PWs) bands (ev): -35.3735 -35.3735 -35.3704 -35.3704 -35.3671 -35.3671 -16.6771 -16.6771 -16.6596 -16.6596 -16.6538 -16.6538 -16.3308 -16.3308 -16.3274 -16.3274 -16.3186 -16.3186 -16.2330 -16.2330 -16.2216 -16.2216 -16.1992 -16.1992 -10.3479 -10.3479 -10.3372 -10.3372 -10.2065 -10.2065 -3.6640 -3.6640 0.7184 0.7184 0.8700 0.8700 0.9993 0.9993 1.0248 1.0248 1.1129 1.1129 1.1833 1.1833 1.7076 1.7076 1.8721 1.8721 1.9337 1.9337 3.8470 3.8470 4.7287 4.7287 4.8478 4.8478 7.2969 7.2969 8.5684 8.5684 8.6597 8.6597 8.6736 8.6736 8.9650 8.9650 9.0696 9.0696 k = 0.5000 0.5000-0.0000 ( 6784 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6815 -16.6815 -16.6706 -16.6706 -16.6558 -16.6558 -16.3521 -16.3521 -16.3358 -16.3358 -16.3009 -16.3009 -16.2485 -16.2485 -16.2205 -16.2205 -16.1909 -16.1909 -10.2731 -10.2731 -10.2696 -10.2696 -10.1980 -10.1980 -3.5041 -3.5041 0.5019 0.5019 0.6080 0.6080 0.6688 0.6688 1.0910 1.0910 1.1480 1.1480 1.1804 1.1804 1.2294 1.2294 1.6673 1.6673 2.2332 2.2332 3.8812 3.8812 3.9965 3.9965 4.3942 4.3942 8.9785 8.9785 8.9946 8.9946 8.9995 8.9995 9.3207 9.3207 9.3246 9.3246 9.4211 9.4211 k = 0.5000 0.5000 0.0179 ( 6764 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6815 -16.6815 -16.6706 -16.6706 -16.6558 -16.6558 -16.3524 -16.3524 -16.3354 -16.3354 -16.3008 -16.3008 -16.2487 -16.2487 -16.2202 -16.2202 -16.1909 -16.1909 -10.2729 -10.2729 -10.2693 -10.2693 -10.1980 -10.1980 -3.5035 -3.5035 0.5012 0.5012 0.6068 0.6068 0.6675 0.6675 1.0905 1.0905 1.1479 1.1479 1.1801 1.1801 1.2268 1.2268 1.6706 1.6706 2.2331 2.2331 3.8815 3.8815 3.9968 3.9968 4.3930 4.3930 8.9791 8.9791 8.9930 8.9930 8.9979 8.9979 9.3268 9.3268 9.3307 9.3307 9.4225 9.4226 k = 0.5000 0.5000 0.0357 ( 6756 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6815 -16.6815 -16.6709 -16.6709 -16.6557 -16.6557 -16.3533 -16.3533 -16.3346 -16.3346 -16.3009 -16.3009 -16.2492 -16.2492 -16.2197 -16.2197 -16.1909 -16.1909 -10.2722 -10.2722 -10.2686 -10.2686 -10.1980 -10.1980 -3.5017 -3.5017 0.4989 0.4989 0.6034 0.6034 0.6635 0.6635 1.0888 1.0888 1.1475 1.1475 1.1794 1.1794 1.2190 1.2190 1.6802 1.6802 2.2328 2.2328 3.8824 3.8824 3.9979 3.9979 4.3895 4.3895 8.9810 8.9810 8.9887 8.9887 8.9937 8.9937 9.3445 9.3445 9.3485 9.3485 9.4269 9.4269 k = 0.5000 0.5000 0.0536 ( 6764 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6817 -16.6817 -16.6712 -16.6712 -16.6556 -16.6556 -16.3546 -16.3546 -16.3334 -16.3334 -16.3010 -16.3010 -16.2500 -16.2500 -16.2188 -16.2188 -16.1909 -16.1909 -10.2710 -10.2710 -10.2675 -10.2675 -10.1980 -10.1980 -3.4988 -3.4988 0.4951 0.4951 0.5978 0.5978 0.6570 0.6570 1.0859 1.0859 1.1468 1.1468 1.1781 1.1781 1.2072 1.2072 1.6953 1.6953 2.2322 2.2322 3.8840 3.8840 3.9996 3.9996 4.3836 4.3836 8.9830 8.9830 8.9836 8.9836 8.9887 8.9887 9.3723 9.3723 9.3764 9.3764 9.4340 9.4340 k = 0.5000 0.5000 0.0714 ( 6772 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6818 -16.6818 -16.6718 -16.6718 -16.6554 -16.6554 -16.3563 -16.3563 -16.3319 -16.3319 -16.3011 -16.3011 -16.2511 -16.2511 -16.2177 -16.2177 -16.1909 -16.1909 -10.2694 -10.2694 -10.2659 -10.2659 -10.1979 -10.1979 -3.4948 -3.4948 0.4899 0.4899 0.5900 0.5900 0.6480 0.6480 1.0814 1.0814 1.1460 1.1460 1.1764 1.1764 1.1926 1.1926 1.7150 1.7150 2.2314 2.2314 3.8861 3.8861 4.0020 4.0020 4.3755 4.3755 8.9773 8.9773 8.9813 8.9813 8.9900 8.9900 9.4085 9.4085 9.4125 9.4125 9.4442 9.4442 k = 0.5000 0.5000 0.0893 ( 6764 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6820 -16.6820 -16.6724 -16.6724 -16.6552 -16.6552 -16.3581 -16.3581 -16.3303 -16.3303 -16.3013 -16.3013 -16.2523 -16.2523 -16.2164 -16.2164 -16.1909 -16.1909 -10.2674 -10.2674 -10.2639 -10.2639 -10.1979 -10.1979 -3.4897 -3.4897 0.4834 0.4834 0.5801 0.5801 0.6366 0.6366 1.0749 1.0749 1.1449 1.1449 1.1741 1.1741 1.1769 1.1769 1.7381 1.7381 2.2304 2.2304 3.8886 3.8886 4.0049 4.0049 4.3653 4.3653 8.9730 8.9730 8.9772 8.9772 8.9958 8.9958 9.4515 9.4515 9.4517 9.4517 9.4607 9.4608 k = 0.5000 0.5000 0.1071 ( 6772 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6823 -16.6823 -16.6731 -16.6731 -16.6551 -16.6551 -16.3600 -16.3600 -16.3286 -16.3286 -16.3015 -16.3015 -16.2537 -16.2537 -16.2149 -16.2149 -16.1909 -16.1909 -10.2650 -10.2650 -10.2615 -10.2615 -10.1978 -10.1978 -3.4836 -3.4836 0.4754 0.4754 0.5681 0.5681 0.6230 0.6230 1.0657 1.0657 1.1438 1.1438 1.1610 1.1610 1.1720 1.1720 1.7638 1.7638 2.2292 2.2292 3.8916 3.8916 4.0083 4.0083 4.3531 4.3531 8.9709 8.9709 8.9752 8.9752 9.0033 9.0033 9.4706 9.4706 9.4997 9.4997 9.5055 9.5055 k = 0.5000 0.5000 0.1250 ( 6764 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6825 -16.6825 -16.6739 -16.6739 -16.6549 -16.6549 -16.3620 -16.3620 -16.3269 -16.3269 -16.3017 -16.3017 -16.2552 -16.2552 -16.2133 -16.2133 -16.1908 -16.1908 -10.2622 -10.2622 -10.2587 -10.2587 -10.1977 -10.1977 -3.4765 -3.4765 0.4663 0.4663 0.5543 0.5543 0.6074 0.6074 1.0534 1.0534 1.1426 1.1426 1.1470 1.1470 1.1694 1.1694 1.7912 1.7912 2.2279 2.2279 3.8948 3.8948 4.0120 4.0120 4.3392 4.3392 8.9716 8.9716 8.9760 8.9760 9.0122 9.0122 9.4886 9.4886 9.5519 9.5519 9.5569 9.5571 k = 0.5000 0.5000 0.1429 ( 6776 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6829 -16.6829 -16.6748 -16.6748 -16.6547 -16.6547 -16.3641 -16.3641 -16.3252 -16.3252 -16.3019 -16.3019 -16.2567 -16.2567 -16.2117 -16.2117 -16.1908 -16.1908 -10.2591 -10.2591 -10.2556 -10.2556 -10.1977 -10.1977 -3.4685 -3.4685 0.4560 0.4560 0.5388 0.5388 0.5899 0.5899 1.0377 1.0377 1.1354 1.1354 1.1413 1.1413 1.1667 1.1667 1.8198 1.8198 2.2263 2.2263 3.8983 3.8983 4.0161 4.0161 4.3238 4.3238 8.9755 8.9755 8.9799 8.9799 9.0226 9.0226 9.5087 9.5087 9.5797 9.5797 9.6063 9.6068 k = 0.5000 0.5000 0.1607 ( 6760 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6832 -16.6832 -16.6757 -16.6757 -16.6545 -16.6545 -16.3661 -16.3661 -16.3236 -16.3236 -16.3022 -16.3022 -16.2582 -16.2582 -16.2100 -16.2100 -16.1908 -16.1908 -10.2557 -10.2557 -10.2522 -10.2522 -10.1976 -10.1976 -3.4597 -3.4597 0.4446 0.4446 0.5217 0.5217 0.5709 0.5709 1.0191 1.0191 1.1263 1.1263 1.1401 1.1401 1.1638 1.1638 1.8489 1.8489 2.2247 2.2247 3.9018 3.9018 4.0203 4.0203 4.3070 4.3070 8.9828 8.9828 8.9873 8.9873 9.0346 9.0346 9.5310 9.5310 9.5836 9.5836 9.6497 9.6497 k = 0.5000 0.5000 0.1786 ( 6768 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6836 -16.6836 -16.6767 -16.6767 -16.6544 -16.6544 -16.3681 -16.3681 -16.3219 -16.3219 -16.3025 -16.3025 -16.2597 -16.2597 -16.2083 -16.2083 -16.1908 -16.1908 -10.2520 -10.2520 -10.2485 -10.2485 -10.1975 -10.1975 -3.4503 -3.4503 0.4323 0.4323 0.5034 0.5034 0.5506 0.5506 0.9985 0.9985 1.1191 1.1191 1.1389 1.1389 1.1610 1.1610 1.8783 1.8783 2.2229 2.2229 3.9052 3.9052 4.0246 4.0246 4.2892 4.2892 8.9934 8.9934 8.9981 8.9981 9.0481 9.0481 9.5552 9.5552 9.5872 9.5872 9.6395 9.6395 k = 0.5000 0.5000 0.1964 ( 6772 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6839 -16.6839 -16.6777 -16.6777 -16.6542 -16.6542 -16.3701 -16.3701 -16.3204 -16.3204 -16.3027 -16.3027 -16.2612 -16.2612 -16.2066 -16.2066 -16.1908 -16.1908 -10.2481 -10.2481 -10.2447 -10.2447 -10.1974 -10.1974 -3.4402 -3.4402 0.4192 0.4192 0.4839 0.4839 0.5293 0.5293 0.9769 0.9769 1.1134 1.1134 1.1378 1.1378 1.1582 1.1582 1.9075 1.9075 2.2210 2.2210 3.9086 3.9086 4.0289 4.0289 4.2707 4.2707 9.0075 9.0075 9.0123 9.0123 9.0631 9.0631 9.5810 9.5810 9.5911 9.5911 9.6279 9.6279 k = 0.5000 0.5000 0.2143 ( 6756 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6843 -16.6843 -16.6787 -16.6787 -16.6541 -16.6541 -16.3720 -16.3720 -16.3188 -16.3188 -16.3030 -16.3030 -16.2627 -16.2627 -16.2050 -16.2050 -16.1907 -16.1907 -10.2441 -10.2441 -10.2407 -10.2407 -10.1973 -10.1973 -3.4296 -3.4296 0.4055 0.4055 0.4637 0.4637 0.5073 0.5073 0.9548 0.9548 1.1088 1.1088 1.1368 1.1368 1.1554 1.1554 1.9363 1.9363 2.2190 2.2190 3.9117 3.9117 4.0332 4.0332 4.2516 4.2516 9.0249 9.0249 9.0298 9.0298 9.0797 9.0797 9.5939 9.5939 9.6093 9.6093 9.6215 9.6215 k = 0.5000 0.5000 0.2321 ( 6768 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6848 -16.6848 -16.6797 -16.6797 -16.6540 -16.6540 -16.3739 -16.3739 -16.3174 -16.3174 -16.3034 -16.3034 -16.2641 -16.2641 -16.2034 -16.2034 -16.1907 -16.1907 -10.2400 -10.2400 -10.2366 -10.2366 -10.1972 -10.1972 -3.4187 -3.4187 0.3912 0.3912 0.4429 0.4429 0.4848 0.4848 0.9329 0.9329 1.1049 1.1049 1.1358 1.1358 1.1526 1.1526 1.9644 1.9644 2.2170 2.2170 3.9145 3.9145 4.0373 4.0373 4.2323 4.2323 9.0453 9.0453 9.0505 9.0505 9.0979 9.0979 9.5974 9.5974 9.6208 9.6208 9.6381 9.6381 k = 0.5000 0.5000 0.2500 ( 6784 PWs) bands (ev): -35.3703 -35.3703 -35.3703 -35.3703 -35.3702 -35.3702 -16.6852 -16.6852 -16.6807 -16.6807 -16.6540 -16.6540 -16.3757 -16.3757 -16.3161 -16.3161 -16.3037 -16.3037 -16.2655 -16.2655 -16.2019 -16.2019 -16.1907 -16.1907 -10.2358 -10.2358 -10.2324 -10.2324 -10.1971 -10.1971 -3.4076 -3.4076 0.3766 0.3766 0.4218 0.4218 0.4623 0.4623 0.9114 0.9114 1.1015 1.1015 1.1349 1.1349 1.1500 1.1500 1.9916 1.9916 2.2150 2.2150 3.9169 3.9169 4.0412 4.0412 4.2131 4.2131 9.0687 9.0687 9.0740 9.0740 9.1176 9.1176 9.6006 9.6006 9.6255 9.6255 9.6681 9.6681 k = 0.5000 0.5000 0.2679 ( 6760 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6856 -16.6856 -16.6817 -16.6817 -16.6539 -16.6539 -16.3774 -16.3774 -16.3148 -16.3148 -16.3040 -16.3040 -16.2668 -16.2668 -16.2003 -16.2003 -16.1906 -16.1906 -10.2316 -10.2316 -10.2282 -10.2282 -10.1970 -10.1970 -3.3964 -3.3964 0.3619 0.3619 0.4007 0.4007 0.4399 0.4399 0.8908 0.8908 1.0986 1.0986 1.1342 1.1342 1.1475 1.1475 2.0176 2.0176 2.2130 2.2130 3.9189 3.9189 4.0449 4.0449 4.1942 4.1942 9.0947 9.0947 9.1001 9.1001 9.1389 9.1389 9.6034 9.6034 9.6356 9.6356 9.6989 9.6989 k = 0.5000 0.5000 0.2857 ( 6768 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6861 -16.6861 -16.6827 -16.6827 -16.6538 -16.6538 -16.3790 -16.3790 -16.3136 -16.3136 -16.3043 -16.3043 -16.2680 -16.2680 -16.1990 -16.1990 -16.1905 -16.1905 -10.2274 -10.2274 -10.2241 -10.2241 -10.1969 -10.1969 -3.3852 -3.3852 0.3471 0.3471 0.3799 0.3799 0.4181 0.4181 0.8711 0.8711 1.0960 1.0960 1.1335 1.1335 1.1452 1.1452 2.0424 2.0424 2.2110 2.2110 3.9203 3.9203 4.0483 4.0483 4.1760 4.1760 9.1230 9.1230 9.1286 9.1286 9.1616 9.1616 9.6057 9.6057 9.6508 9.6508 9.7299 9.7299 k = 0.5000 0.5000 0.3036 ( 6760 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6865 -16.6865 -16.6836 -16.6836 -16.6538 -16.6538 -16.3805 -16.3805 -16.3125 -16.3125 -16.3046 -16.3046 -16.2691 -16.2691 -16.1976 -16.1976 -16.1905 -16.1905 -10.2233 -10.2233 -10.2201 -10.2201 -10.1967 -10.1967 -3.3742 -3.3742 0.3325 0.3325 0.3597 0.3597 0.3970 0.3970 0.8525 0.8525 1.0938 1.0938 1.1330 1.1330 1.1430 1.1430 2.0658 2.0658 2.2091 2.2091 3.9212 3.9212 4.0514 4.0514 4.1587 4.1587 9.1534 9.1534 9.1590 9.1590 9.1859 9.1859 9.6073 9.6073 9.6708 9.6708 9.7610 9.7610 k = 0.5000 0.5000 0.3214 ( 6760 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6869 -16.6869 -16.6845 -16.6845 -16.6538 -16.6538 -16.3819 -16.3819 -16.3115 -16.3115 -16.3049 -16.3049 -16.2702 -16.2702 -16.1964 -16.1964 -16.1905 -16.1905 -10.2194 -10.2194 -10.2162 -10.2162 -10.1966 -10.1966 -3.3636 -3.3636 0.3182 0.3182 0.3403 0.3403 0.3769 0.3769 0.8353 0.8353 1.0918 1.0918 1.1325 1.1325 1.1409 1.1409 2.0875 2.0875 2.2072 2.2072 3.9216 3.9216 4.0541 4.0541 4.1426 4.1426 9.1853 9.1853 9.1907 9.1907 9.2117 9.2117 9.6081 9.6081 9.6953 9.6953 9.7916 9.7917 k = 0.5000 0.5000 0.3393 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6873 -16.6873 -16.6853 -16.6853 -16.6538 -16.6538 -16.3832 -16.3832 -16.3105 -16.3105 -16.3052 -16.3052 -16.2712 -16.2712 -16.1953 -16.1953 -16.1904 -16.1904 -10.2157 -10.2157 -10.2126 -10.2126 -10.1964 -10.1964 -3.3534 -3.3534 0.3045 0.3045 0.3220 0.3220 0.3582 0.3582 0.8194 0.8194 1.0901 1.0901 1.1320 1.1320 1.1390 1.1390 2.1076 2.1076 2.2055 2.2055 3.9213 3.9213 4.0566 4.0566 4.1278 4.1278 9.2185 9.2185 9.2232 9.2232 9.2391 9.2391 9.6079 9.6079 9.7241 9.7241 9.8212 9.8213 k = 0.5000 0.5000 0.3571 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6876 -16.6876 -16.6861 -16.6861 -16.6538 -16.6538 -16.3844 -16.3844 -16.3097 -16.3097 -16.3055 -16.3055 -16.2720 -16.2720 -16.1943 -16.1943 -16.1904 -16.1904 -10.2123 -10.2123 -10.2092 -10.2092 -10.1963 -10.1963 -3.3439 -3.3439 0.2915 0.2915 0.3049 0.3049 0.3410 0.3410 0.8050 0.8050 1.0886 1.0886 1.1317 1.1317 1.1373 1.1373 2.1259 2.1259 2.2038 2.2038 3.9206 3.9206 4.0588 4.0588 4.1145 4.1145 9.2523 9.2523 9.2554 9.2554 9.2684 9.2684 9.6064 9.6064 9.7568 9.7568 9.8496 9.8497 k = 0.5000 0.5000 0.3750 ( 6780 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6880 -16.6880 -16.6867 -16.6867 -16.6538 -16.6538 -16.3854 -16.3854 -16.3090 -16.3090 -16.3057 -16.3057 -16.2728 -16.2728 -16.1934 -16.1934 -16.1904 -16.1904 -10.2091 -10.2091 -10.2062 -10.2062 -10.1961 -10.1961 -3.3351 -3.3351 0.2794 0.2794 0.2894 0.2894 0.3254 0.3254 0.7921 0.7921 1.0874 1.0874 1.1314 1.1314 1.1358 1.1358 2.1422 2.1422 2.2024 2.2024 3.9194 3.9194 4.0607 4.0607 4.1028 4.1028 9.2861 9.2861 9.2863 9.2863 9.2997 9.2997 9.6035 9.6035 9.7931 9.7931 9.8761 9.8763 k = 0.5000 0.5000 0.3929 ( 6780 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6883 -16.6883 -16.6874 -16.6874 -16.6539 -16.6539 -16.3864 -16.3864 -16.3084 -16.3084 -16.3059 -16.3059 -16.2735 -16.2735 -16.1926 -16.1926 -16.1904 -16.1904 -10.2063 -10.2063 -10.2036 -10.2036 -10.1958 -10.1958 -3.3272 -3.3272 0.2685 0.2685 0.2755 0.2755 0.3117 0.3117 0.7808 0.7808 1.0863 1.0863 1.1312 1.1312 1.1344 1.1344 2.1566 2.1566 2.2010 2.2010 3.9179 3.9179 4.0622 4.0622 4.0928 4.0928 9.3160 9.3160 9.3193 9.3193 9.3318 9.3318 9.5989 9.5989 9.8326 9.8326 9.9003 9.9006 k = 0.5000 0.5000 0.4107 ( 6788 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6885 -16.6885 -16.6879 -16.6879 -16.6539 -16.6539 -16.3872 -16.3872 -16.3078 -16.3078 -16.3061 -16.3061 -16.2741 -16.2741 -16.1919 -16.1919 -16.1904 -16.1904 -10.2039 -10.2039 -10.2015 -10.2015 -10.1954 -10.1954 -3.3203 -3.3203 0.2588 0.2588 0.2635 0.2635 0.3000 0.3000 0.7712 0.7712 1.0854 1.0854 1.1310 1.1310 1.1333 1.1333 2.1688 2.1688 2.1999 2.1999 3.9162 3.9162 4.0635 4.0635 4.0845 4.0845 9.3448 9.3448 9.3510 9.3510 9.3632 9.3632 9.5923 9.5923 9.8748 9.8748 9.9217 9.9222 k = 0.5000 0.5000 0.4286 ( 6780 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6887 -16.6887 -16.6883 -16.6883 -16.6539 -16.6539 -16.3878 -16.3878 -16.3074 -16.3074 -16.3063 -16.3063 -16.2745 -16.2745 -16.1914 -16.1914 -16.1903 -16.1903 -10.2018 -10.2018 -10.2000 -10.2000 -10.1948 -10.1948 -3.3145 -3.3145 0.2506 0.2506 0.2535 0.2535 0.2903 0.2903 0.7633 0.7633 1.0846 1.0846 1.1309 1.1309 1.1323 1.1323 2.1789 2.1789 2.1989 2.1989 3.9145 3.9145 4.0646 4.0646 4.0778 4.0778 9.3725 9.3725 9.3799 9.3799 9.3924 9.3924 9.5839 9.5839 9.9192 9.9192 9.9400 9.9407 k = 0.5000 0.5000 0.4464 ( 6772 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6889 -16.6889 -16.6887 -16.6887 -16.6539 -16.6539 -16.3883 -16.3883 -16.3070 -16.3070 -16.3064 -16.3064 -16.2749 -16.2749 -16.1909 -16.1909 -16.1903 -16.1903 -10.2002 -10.2002 -10.1990 -10.1990 -10.1942 -10.1942 -3.3099 -3.3099 0.2440 0.2440 0.2456 0.2456 0.2827 0.2827 0.7571 0.7571 1.0841 1.0841 1.1308 1.1308 1.1316 1.1316 2.1869 2.1869 2.1981 2.1981 3.9129 3.9129 4.0654 4.0654 4.0727 4.0727 9.3980 9.3980 9.4049 9.4049 9.4179 9.4179 9.5738 9.5738 9.9547 9.9566 9.9648 9.9648 k = 0.5000 0.5000 0.4643 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6890 -16.6890 -16.6889 -16.6889 -16.6539 -16.6539 -16.3887 -16.3887 -16.3068 -16.3068 -16.3065 -16.3065 -16.2751 -16.2751 -16.1906 -16.1906 -16.1903 -16.1903 -10.1990 -10.1990 -10.1984 -10.1984 -10.1935 -10.1935 -3.3066 -3.3066 0.2392 0.2392 0.2399 0.2399 0.2773 0.2773 0.7527 0.7527 1.0837 1.0837 1.1307 1.1307 1.1311 1.1311 2.1926 2.1926 2.1976 2.1976 3.9117 3.9117 4.0660 4.0660 4.0692 4.0692 9.4200 9.4200 9.4243 9.4243 9.4383 9.4383 9.5630 9.5630 9.9652 9.9662 9.9860 9.9893 k = 0.5000 0.5000 0.4821 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6891 -16.6891 -16.6891 -16.6891 -16.6539 -16.6539 -16.3889 -16.3889 -16.3066 -16.3066 -16.3065 -16.3065 -16.2753 -16.2753 -16.1904 -16.1904 -16.1903 -16.1903 -10.1983 -10.1983 -10.1981 -10.1981 -10.1931 -10.1931 -3.3045 -3.3045 0.2362 0.2362 0.2364 0.2364 0.2740 0.2740 0.7500 0.7500 1.0835 1.0835 1.1307 1.1307 1.1308 1.1308 2.1960 2.1960 2.1973 2.1973 3.9109 3.9109 4.0663 4.0663 4.0671 4.0671 9.4354 9.4354 9.4368 9.4368 9.4520 9.4520 9.5537 9.5537 9.9715 9.9759 9.9769 9.9780 k = 0.5000 0.5000 0.5000 ( 6776 PWs) bands (ev): -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -35.3702 -16.6891 -16.6891 -16.6891 -16.6891 -16.6539 -16.6539 -16.3890 -16.3890 -16.3066 -16.3066 -16.3066 -16.3066 -16.2753 -16.2753 -16.1903 -16.1903 -16.1903 -16.1903 -10.1980 -10.1980 -10.1980 -10.1980 -10.1929 -10.1929 -3.3039 -3.3039 0.2353 0.2353 0.2353 0.2353 0.2729 0.2729 0.7491 0.7491 1.0834 1.0834 1.1307 1.1307 1.1307 1.1307 2.1971 2.1971 2.1971 2.1971 3.9106 3.9106 4.0664 4.0664 4.0664 4.0664 9.4411 9.4411 9.4411 9.4411 9.4571 9.4571 9.5497 9.5497 9.9728 9.9728 9.9735 9.9763 Writing output data file Ca3AsCl3.save init_run : 0.34s CPU 0.46s WALL ( 1 calls) electrons : 512.06s CPU 517.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 512.06s CPU 517.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 216 calls) cegterg : 494.11s CPU 499.38s WALL ( 1061 calls) Called by sum_band: Called by *egterg: h_psi : 213.35s CPU 215.78s WALL ( 21311 calls) s_psi : 19.46s CPU 19.59s WALL ( 21311 calls) g_psi : 0.67s CPU 0.70s WALL ( 20034 calls) cdiaghg : 209.22s CPU 211.61s WALL ( 20250 calls) cegterg:over : 22.01s CPU 21.92s WALL ( 20034 calls) cegterg:upda : 24.29s CPU 24.42s WALL ( 20034 calls) cegterg:last : 7.72s CPU 7.74s WALL ( 1833 calls) cdiaghg:chol : 11.78s CPU 12.08s WALL ( 20250 calls) cdiaghg:inve : 8.50s CPU 8.61s WALL ( 20250 calls) cdiaghg:para : 14.17s CPU 14.19s WALL ( 40500 calls) Called by h_psi: h_psi:vloc : 170.75s CPU 172.70s WALL ( 21311 calls) h_psi:vnl : 41.81s CPU 42.22s WALL ( 21311 calls) add_vuspsi : 22.40s CPU 22.40s WALL ( 21311 calls) General routines calbec : 19.32s CPU 19.76s WALL ( 21311 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 159.40s CPU 161.16s WALL ( 1487020 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.26s WALL ( 432 calls) Parallel routines fft_scatter : 56.63s CPU 57.65s WALL ( 1487043 calls) PWSCF : 8m50.72s CPU 9m 4.70s WALL This run was terminated on: 20:43:29 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=