Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:35:29 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: ./Ca3AsBr3.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 55 15 2955 1839 279 Max 76 56 16 2960 1858 284 Sum 2725 1993 569 106431 66539 10131 bravais-lattice index = 14 lattice parameter (alat) = 11.1683 a.u. unit-cell volume = 1393.0251 (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 = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.168281 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 Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 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 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 210 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0047619 k( 3) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0047619 k( 4) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0047619 k( 5) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0047619 k( 6) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0047619 k( 7) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0047619 k( 8) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0047619 k( 9) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0047619 k( 10) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0047619 k( 11) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0047619 k( 12) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0047619 k( 13) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0047619 k( 14) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0047619 k( 15) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0047619 k( 16) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0047619 k( 17) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0047619 k( 18) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0047619 k( 19) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0047619 k( 20) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0047619 k( 21) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0047619 k( 22) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0047619 k( 23) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0047619 k( 24) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0047619 k( 25) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0047619 k( 26) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0047619 k( 27) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0047619 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047619 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047619 k( 30) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0047619 k( 31) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0047619 k( 32) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0047619 k( 33) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0047619 k( 34) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0047619 k( 35) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0047619 k( 36) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0047619 k( 37) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0047619 k( 38) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0047619 k( 39) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0047619 k( 40) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0047619 k( 41) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0047619 k( 42) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0047619 k( 43) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0047619 k( 44) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0047619 k( 45) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0047619 k( 46) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0047619 k( 47) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0047619 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0047619 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0047619 k( 50) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0047619 k( 51) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0047619 k( 52) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0047619 k( 53) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0047619 k( 54) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0047619 k( 55) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0047619 k( 56) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047619 k( 57) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047619 k( 58) = ( 0.4868421 0.4868421 -0.0000000), wk = 0.0047619 k( 59) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0047619 k( 60) = ( 0.4605263 0.4605263 -0.0000000), wk = 0.0047619 k( 61) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0047619 k( 62) = ( 0.4342105 0.4342105 -0.0000000), wk = 0.0047619 k( 63) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0047619 k( 64) = ( 0.4078947 0.4078947 -0.0000000), wk = 0.0047619 k( 65) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0047619 k( 66) = ( 0.3815789 0.3815789 -0.0000000), wk = 0.0047619 k( 67) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0047619 k( 68) = ( 0.3552632 0.3552632 -0.0000000), wk = 0.0047619 k( 69) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0047619 k( 70) = ( 0.3289474 0.3289474 -0.0000000), wk = 0.0047619 k( 71) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0047619 k( 72) = ( 0.3026316 0.3026316 -0.0000000), wk = 0.0047619 k( 73) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0047619 k( 74) = ( 0.2763158 0.2763158 -0.0000000), wk = 0.0047619 k( 75) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0047619 k( 76) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0047619 k( 77) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0047619 k( 78) = ( 0.2236842 0.2236842 -0.0000000), wk = 0.0047619 k( 79) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0047619 k( 80) = ( 0.1973684 0.1973684 -0.0000000), wk = 0.0047619 k( 81) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0047619 k( 82) = ( 0.1710526 0.1710526 -0.0000000), wk = 0.0047619 k( 83) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0047619 k( 84) = ( 0.1447368 0.1447368 -0.0000000), wk = 0.0047619 k( 85) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0047619 k( 86) = ( 0.1184210 0.1184210 -0.0000000), wk = 0.0047619 k( 87) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0047619 k( 88) = ( 0.0921053 0.0921053 -0.0000000), wk = 0.0047619 k( 89) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0047619 k( 90) = ( 0.0657895 0.0657895 -0.0000000), wk = 0.0047619 k( 91) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0047619 k( 92) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0047619 k( 93) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0047619 k( 94) = ( 0.0131579 0.0131579 -0.0000000), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0047619 k( 98) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0047619 k( 99) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0047619 k( 100) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0047619 k( 101) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0047619 k( 102) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0047619 k( 103) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0047619 k( 104) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0047619 k( 105) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0047619 k( 106) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0047619 k( 107) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0047619 k( 108) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0047619 k( 109) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0047619 k( 110) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0047619 k( 111) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0047619 k( 112) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0047619 k( 113) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0047619 k( 114) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0047619 k( 115) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0047619 k( 116) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0047619 k( 117) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0047619 k( 118) = ( 0.2340425 0.2340425 0.2340425), wk = 0.0047619 k( 119) = ( 0.2446809 0.2446808 0.2446808), wk = 0.0047619 k( 120) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0047619 k( 121) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0047619 k( 122) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0047619 k( 123) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0047619 k( 124) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0047619 k( 125) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0047619 k( 126) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0047619 k( 127) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0047619 k( 128) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0047619 k( 129) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0047619 k( 130) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0047619 k( 131) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0047619 k( 132) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0047619 k( 133) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0047619 k( 134) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0047619 k( 135) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0047619 k( 136) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0047619 k( 137) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0047619 k( 138) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0047619 k( 139) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0047619 k( 140) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0047619 k( 141) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0047619 k( 142) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0047619 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 144) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 145) = ( 0.4868421 0.5000000 0.4868421), wk = 0.0047619 k( 146) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0047619 k( 147) = ( 0.4605263 0.5000000 0.4605263), wk = 0.0047619 k( 148) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0047619 k( 149) = ( 0.4342105 0.5000000 0.4342105), wk = 0.0047619 k( 150) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0047619 k( 151) = ( 0.4078947 0.5000000 0.4078947), wk = 0.0047619 k( 152) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0047619 k( 153) = ( 0.3815789 0.5000000 0.3815789), wk = 0.0047619 k( 154) = ( 0.3684211 0.5000000 0.3684210), wk = 0.0047619 k( 155) = ( 0.3552632 0.5000000 0.3552632), wk = 0.0047619 k( 156) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0047619 k( 157) = ( 0.3289474 0.5000000 0.3289474), wk = 0.0047619 k( 158) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0047619 k( 159) = ( 0.3026316 0.5000000 0.3026316), wk = 0.0047619 k( 160) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0047619 k( 161) = ( 0.2763158 0.5000000 0.2763158), wk = 0.0047619 k( 162) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0047619 k( 163) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0047619 k( 164) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0047619 k( 165) = ( 0.2236842 0.5000000 0.2236842), wk = 0.0047619 k( 166) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0047619 k( 167) = ( 0.1973684 0.5000000 0.1973684), wk = 0.0047619 k( 168) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0047619 k( 169) = ( 0.1710526 0.5000000 0.1710526), wk = 0.0047619 k( 170) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0047619 k( 171) = ( 0.1447368 0.5000000 0.1447368), wk = 0.0047619 k( 172) = ( 0.1315790 0.5000000 0.1315789), wk = 0.0047619 k( 173) = ( 0.1184210 0.5000000 0.1184210), wk = 0.0047619 k( 174) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0047619 k( 175) = ( 0.0921053 0.5000000 0.0921053), wk = 0.0047619 k( 176) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0047619 k( 177) = ( 0.0657895 0.5000000 0.0657895), wk = 0.0047619 k( 178) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0047619 k( 179) = ( 0.0394737 0.5000000 0.0394737), wk = 0.0047619 k( 180) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0047619 k( 181) = ( 0.0131579 0.5000000 0.0131579), wk = 0.0047619 k( 182) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047619 k( 183) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0047619 k( 184) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0047619 k( 185) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0047619 k( 186) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0047619 k( 187) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0047619 k( 188) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0047619 k( 189) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0047619 k( 190) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0047619 k( 191) = ( 0.5000000 0.5000000 0.1481481), wk = 0.0047619 k( 192) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0047619 k( 193) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0047619 k( 194) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0047619 k( 195) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0047619 k( 196) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0047619 k( 197) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0047619 k( 198) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0047619 k( 199) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0047619 k( 200) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0047619 k( 201) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0047619 k( 202) = ( 0.5000000 0.5000000 0.3518518), wk = 0.0047619 k( 203) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0047619 k( 204) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0047619 k( 205) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0047619 k( 206) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0047619 k( 207) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0047619 k( 208) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0047619 k( 209) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0047619 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0047619 k( 3) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0047619 k( 4) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0047619 k( 5) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0047619 k( 6) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0047619 k( 7) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0047619 k( 8) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0047619 k( 9) = ( 0.0000000 0.1481482 0.0000000), wk = 0.0047619 k( 10) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0047619 k( 11) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0047619 k( 12) = ( 0.0000000 0.2037037 0.0000000), wk = 0.0047619 k( 13) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0047619 k( 14) = ( 0.0000000 0.2407407 0.0000000), wk = 0.0047619 k( 15) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0047619 k( 16) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0047619 k( 17) = ( 0.0000000 0.2962963 0.0000000), wk = 0.0047619 k( 18) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0047619 k( 19) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0047619 k( 20) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0047619 k( 21) = ( 0.0000000 0.3703704 0.0000000), wk = 0.0047619 k( 22) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0047619 k( 23) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0047619 k( 24) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0047619 k( 25) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0047619 k( 26) = ( 0.0000000 0.4629630 0.0000000), wk = 0.0047619 k( 27) = ( 0.0000000 0.4814815 0.0000000), wk = 0.0047619 k( 28) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0047619 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0047619 k( 30) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0047619 k( 31) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0047619 k( 32) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0047619 k( 33) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0047619 k( 34) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0047619 k( 35) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0047619 k( 36) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0047619 k( 37) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0047619 k( 38) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0047619 k( 39) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0047619 k( 40) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0047619 k( 41) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0047619 k( 42) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0047619 k( 43) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0047619 k( 44) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0047619 k( 45) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0047619 k( 46) = ( 0.3148148 0.5000000 0.0000000), wk = 0.0047619 k( 47) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0047619 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0047619 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0047619 k( 50) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0047619 k( 51) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0047619 k( 52) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0047619 k( 53) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0047619 k( 54) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0047619 k( 55) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0047619 k( 56) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047619 k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047619 k( 58) = ( 0.4868421 0.4868421 0.0000000), wk = 0.0047619 k( 59) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0047619 k( 60) = ( 0.4605263 0.4605263 0.0000000), wk = 0.0047619 k( 61) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0047619 k( 62) = ( 0.4342105 0.4342105 -0.0000000), wk = 0.0047619 k( 63) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0047619 k( 64) = ( 0.4078947 0.4078947 0.0000000), wk = 0.0047619 k( 65) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0047619 k( 66) = ( 0.3815789 0.3815789 -0.0000000), wk = 0.0047619 k( 67) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0047619 k( 68) = ( 0.3552632 0.3552632 0.0000000), wk = 0.0047619 k( 69) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0047619 k( 70) = ( 0.3289474 0.3289474 -0.0000000), wk = 0.0047619 k( 71) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0047619 k( 72) = ( 0.3026316 0.3026316 0.0000000), wk = 0.0047619 k( 73) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0047619 k( 74) = ( 0.2763158 0.2763158 0.0000000), wk = 0.0047619 k( 75) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0047619 k( 76) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0047619 k( 77) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0047619 k( 78) = ( 0.2236842 0.2236842 0.0000000), wk = 0.0047619 k( 79) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0047619 k( 80) = ( 0.1973684 0.1973684 0.0000000), wk = 0.0047619 k( 81) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0047619 k( 82) = ( 0.1710526 0.1710526 0.0000000), wk = 0.0047619 k( 83) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0047619 k( 84) = ( 0.1447368 0.1447368 0.0000000), wk = 0.0047619 k( 85) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0047619 k( 86) = ( 0.1184210 0.1184210 0.0000000), wk = 0.0047619 k( 87) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0047619 k( 88) = ( 0.0921053 0.0921053 0.0000000), wk = 0.0047619 k( 89) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0047619 k( 90) = ( 0.0657895 0.0657895 0.0000000), wk = 0.0047619 k( 91) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0047619 k( 92) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0047619 k( 93) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0047619 k( 94) = ( 0.0131579 0.0131579 0.0000000), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0047619 k( 98) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0047619 k( 99) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0047619 k( 100) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0047619 k( 101) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0047619 k( 102) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0047619 k( 103) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0047619 k( 104) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0047619 k( 105) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0047619 k( 106) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0047619 k( 107) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0047619 k( 108) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0047619 k( 109) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0047619 k( 110) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0047619 k( 111) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0047619 k( 112) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0047619 k( 113) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0047619 k( 114) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0047619 k( 115) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0047619 k( 116) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0047619 k( 117) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0047619 k( 118) = ( 0.2340425 0.2340425 0.2340425), wk = 0.0047619 k( 119) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0047619 k( 120) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0047619 k( 121) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0047619 k( 122) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0047619 k( 123) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0047619 k( 124) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0047619 k( 125) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0047619 k( 126) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0047619 k( 127) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0047619 k( 128) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0047619 k( 129) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0047619 k( 130) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0047619 k( 131) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0047619 k( 132) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0047619 k( 133) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0047619 k( 134) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0047619 k( 135) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0047619 k( 136) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0047619 k( 137) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0047619 k( 138) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0047619 k( 139) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0047619 k( 140) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0047619 k( 141) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0047619 k( 142) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0047619 k( 143) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 144) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 145) = ( 0.4868421 0.5000000 0.4868421), wk = 0.0047619 k( 146) = ( 0.4736842 0.5000000 0.4736842), wk = 0.0047619 k( 147) = ( 0.4605263 0.5000000 0.4605263), wk = 0.0047619 k( 148) = ( 0.4473684 0.5000000 0.4473684), wk = 0.0047619 k( 149) = ( 0.4342105 0.5000000 0.4342105), wk = 0.0047619 k( 150) = ( 0.4210526 0.5000000 0.4210526), wk = 0.0047619 k( 151) = ( 0.4078947 0.5000000 0.4078947), wk = 0.0047619 k( 152) = ( 0.3947368 0.5000000 0.3947368), wk = 0.0047619 k( 153) = ( 0.3815789 0.5000000 0.3815789), wk = 0.0047619 k( 154) = ( 0.3684211 0.5000000 0.3684211), wk = 0.0047619 k( 155) = ( 0.3552632 0.5000000 0.3552632), wk = 0.0047619 k( 156) = ( 0.3421053 0.5000000 0.3421053), wk = 0.0047619 k( 157) = ( 0.3289474 0.5000000 0.3289474), wk = 0.0047619 k( 158) = ( 0.3157895 0.5000000 0.3157895), wk = 0.0047619 k( 159) = ( 0.3026316 0.5000000 0.3026316), wk = 0.0047619 k( 160) = ( 0.2894737 0.5000000 0.2894737), wk = 0.0047619 k( 161) = ( 0.2763158 0.5000000 0.2763158), wk = 0.0047619 k( 162) = ( 0.2631579 0.5000000 0.2631579), wk = 0.0047619 k( 163) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0047619 k( 164) = ( 0.2368421 0.5000000 0.2368421), wk = 0.0047619 k( 165) = ( 0.2236842 0.5000000 0.2236842), wk = 0.0047619 k( 166) = ( 0.2105263 0.5000000 0.2105263), wk = 0.0047619 k( 167) = ( 0.1973684 0.5000000 0.1973684), wk = 0.0047619 k( 168) = ( 0.1842105 0.5000000 0.1842105), wk = 0.0047619 k( 169) = ( 0.1710526 0.5000000 0.1710526), wk = 0.0047619 k( 170) = ( 0.1578947 0.5000000 0.1578947), wk = 0.0047619 k( 171) = ( 0.1447368 0.5000000 0.1447368), wk = 0.0047619 k( 172) = ( 0.1315790 0.5000000 0.1315790), wk = 0.0047619 k( 173) = ( 0.1184210 0.5000000 0.1184210), wk = 0.0047619 k( 174) = ( 0.1052632 0.5000000 0.1052632), wk = 0.0047619 k( 175) = ( 0.0921053 0.5000000 0.0921053), wk = 0.0047619 k( 176) = ( 0.0789474 0.5000000 0.0789474), wk = 0.0047619 k( 177) = ( 0.0657895 0.5000000 0.0657895), wk = 0.0047619 k( 178) = ( 0.0526316 0.5000000 0.0526316), wk = 0.0047619 k( 179) = ( 0.0394737 0.5000000 0.0394737), wk = 0.0047619 k( 180) = ( 0.0263158 0.5000000 0.0263158), wk = 0.0047619 k( 181) = ( 0.0131579 0.5000000 0.0131579), wk = 0.0047619 k( 182) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0047619 k( 183) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047619 k( 184) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0047619 k( 185) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0047619 k( 186) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0047619 k( 187) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0047619 k( 188) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0047619 k( 189) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0047619 k( 190) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0047619 k( 191) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0047619 k( 192) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0047619 k( 193) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0047619 k( 194) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0047619 k( 195) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0047619 k( 196) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0047619 k( 197) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0047619 k( 198) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0047619 k( 199) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0047619 k( 200) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0047619 k( 201) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0047619 k( 202) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0047619 k( 203) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0047619 k( 204) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0047619 k( 205) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0047619 k( 206) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0047619 k( 207) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0047619 k( 208) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0047619 k( 209) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0047619 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 Dense grid: 106431 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 66539 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 464, 68) NL pseudopotentials 0.56 Mb ( 232, 158) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2960) G-vector shells 0.00 Mb ( 580) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.93 Mb ( 464, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.33 Mb ( 158, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3AsBr3.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 5.2 secs Computing kpt #: 2 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 8.5 secs Computing kpt #: 3 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 11.9 secs Computing kpt #: 4 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 15.2 secs Computing kpt #: 5 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 18.5 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.7 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.9 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 28.0 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 31.2 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 34.3 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 37.4 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 40.5 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 43.6 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.6 secs Computing kpt #: 15 total cpu time spent up to now is 49.4 secs Computing kpt #: 16 total cpu time spent up to now is 51.8 secs Computing kpt #: 17 total cpu time spent up to now is 54.2 secs Computing kpt #: 18 total cpu time spent up to now is 56.7 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.7 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.8 secs Computing kpt #: 21 total cpu time spent up to now is 65.3 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 68.4 secs Computing kpt #: 23 total cpu time spent up to now is 70.3 secs Computing kpt #: 24 total cpu time spent up to now is 72.1 secs Computing kpt #: 25 total cpu time spent up to now is 74.0 secs Computing kpt #: 26 total cpu time spent up to now is 75.6 secs Computing kpt #: 27 total cpu time spent up to now is 77.3 secs Computing kpt #: 28 total cpu time spent up to now is 78.9 secs Computing kpt #: 29 total cpu time spent up to now is 80.6 secs Computing kpt #: 30 total cpu time spent up to now is 82.2 secs Computing kpt #: 31 total cpu time spent up to now is 83.8 secs Computing kpt #: 32 total cpu time spent up to now is 85.4 secs Computing kpt #: 33 total cpu time spent up to now is 87.2 secs Computing kpt #: 34 total cpu time spent up to now is 88.9 secs Computing kpt #: 35 total cpu time spent up to now is 90.5 secs Computing kpt #: 36 total cpu time spent up to now is 92.3 secs Computing kpt #: 37 total cpu time spent up to now is 93.9 secs Computing kpt #: 38 total cpu time spent up to now is 95.5 secs Computing kpt #: 39 total cpu time spent up to now is 97.1 secs Computing kpt #: 40 total cpu time spent up to now is 98.7 secs Computing kpt #: 41 total cpu time spent up to now is 100.3 secs Computing kpt #: 42 total cpu time spent up to now is 102.0 secs Computing kpt #: 43 total cpu time spent up to now is 103.6 secs Computing kpt #: 44 total cpu time spent up to now is 105.3 secs Computing kpt #: 45 total cpu time spent up to now is 106.9 secs Computing kpt #: 46 total cpu time spent up to now is 108.5 secs Computing kpt #: 47 total cpu time spent up to now is 110.2 secs Computing kpt #: 48 total cpu time spent up to now is 111.7 secs Computing kpt #: 49 total cpu time spent up to now is 113.4 secs Computing kpt #: 50 total cpu time spent up to now is 115.9 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.0 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.0 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.1 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.2 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.2 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.3 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.3 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.3 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.4 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.4 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.4 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.4 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.2 secs Computing kpt #: 64 total cpu time spent up to now is 158.0 secs Computing kpt #: 65 total cpu time spent up to now is 159.5 secs Computing kpt #: 66 total cpu time spent up to now is 161.1 secs Computing kpt #: 67 total cpu time spent up to now is 162.7 secs Computing kpt #: 68 total cpu time spent up to now is 164.6 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.5 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.6 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.6 secs Computing kpt #: 72 total cpu time spent up to now is 176.1 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.1 secs Computing kpt #: 74 total cpu time spent up to now is 181.6 secs Computing kpt #: 75 total cpu time spent up to now is 184.0 secs Computing kpt #: 76 total cpu time spent up to now is 186.5 secs Computing kpt #: 77 total cpu time spent up to now is 189.0 secs Computing kpt #: 78 total cpu time spent up to now is 191.1 secs Computing kpt #: 79 total cpu time spent up to now is 193.5 secs Computing kpt #: 80 total cpu time spent up to now is 196.0 secs Computing kpt #: 81 total cpu time spent up to now is 198.8 secs Computing kpt #: 82 total cpu time spent up to now is 201.8 secs Computing kpt #: 83 total cpu time spent up to now is 204.8 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.9 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.9 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.0 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.7 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.8 secs Computing kpt #: 89 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 224.1 secs Computing kpt #: 90 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 227.3 secs Computing kpt #: 91 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 230.5 secs Computing kpt #: 92 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 233.8 secs Computing kpt #: 93 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 237.0 secs Computing kpt #: 94 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 240.3 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.4 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.6 secs Computing kpt #: 98 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 252.9 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.1 secs Computing kpt #: 100 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 259.4 secs Computing kpt #: 101 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 262.7 secs Computing kpt #: 102 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 265.9 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.0 secs Computing kpt #: 104 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 272.3 secs Computing kpt #: 105 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 275.4 secs Computing kpt #: 106 total cpu time spent up to now is 278.0 secs Computing kpt #: 107 total cpu time spent up to now is 281.7 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.9 secs Computing kpt #: 109 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 288.2 secs Computing kpt #: 110 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 291.5 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.7 secs Computing kpt #: 112 total cpu time spent up to now is 297.5 secs Computing kpt #: 113 total cpu time spent up to now is 299.7 secs Computing kpt #: 114 total cpu time spent up to now is 301.8 secs Computing kpt #: 115 total cpu time spent up to now is 303.8 secs Computing kpt #: 116 total cpu time spent up to now is 305.7 secs Computing kpt #: 117 total cpu time spent up to now is 307.6 secs Computing kpt #: 118 total cpu time spent up to now is 309.5 secs Computing kpt #: 119 total cpu time spent up to now is 311.3 secs Computing kpt #: 120 total cpu time spent up to now is 313.1 secs Computing kpt #: 121 total cpu time spent up to now is 314.8 secs Computing kpt #: 122 total cpu time spent up to now is 316.6 secs Computing kpt #: 123 total cpu time spent up to now is 318.5 secs Computing kpt #: 124 total cpu time spent up to now is 320.3 secs Computing kpt #: 125 total cpu time spent up to now is 322.2 secs Computing kpt #: 126 total cpu time spent up to now is 324.0 secs Computing kpt #: 127 total cpu time spent up to now is 325.8 secs Computing kpt #: 128 total cpu time spent up to now is 328.0 secs Computing kpt #: 129 total cpu time spent up to now is 330.2 secs Computing kpt #: 130 total cpu time spent up to now is 332.4 secs Computing kpt #: 131 total cpu time spent up to now is 334.6 secs Computing kpt #: 132 total cpu time spent up to now is 337.5 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 340.7 secs Computing kpt #: 134 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 343.9 secs Computing kpt #: 135 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 347.0 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 350.1 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 353.2 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.2 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 359.6 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.6 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.7 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.8 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.8 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.7 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.8 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.9 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.0 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.0 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.1 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.1 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.2 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.2 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 402.3 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 405.4 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 408.5 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 411.7 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 414.7 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 417.8 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.9 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 423.9 secs Computing kpt #: 161 total cpu time spent up to now is 426.4 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 429.4 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.4 secs Computing kpt #: 164 total cpu time spent up to now is 435.0 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 438.1 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.2 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 444.4 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.5 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.6 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 453.7 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 456.7 secs Computing kpt #: 172 total cpu time spent up to now is 459.7 secs Computing kpt #: 173 total cpu time spent up to now is 462.4 secs Computing kpt #: 174 total cpu time spent up to now is 465.3 secs Computing kpt #: 175 total cpu time spent up to now is 466.9 secs Computing kpt #: 176 total cpu time spent up to now is 468.9 secs Computing kpt #: 177 total cpu time spent up to now is 470.5 secs Computing kpt #: 178 total cpu time spent up to now is 472.1 secs Computing kpt #: 179 total cpu time spent up to now is 473.8 secs Computing kpt #: 180 total cpu time spent up to now is 475.4 secs Computing kpt #: 181 total cpu time spent up to now is 477.0 secs Computing kpt #: 182 total cpu time spent up to now is 478.7 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 481.7 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 484.8 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.8 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 490.9 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 494.2 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 497.4 secs Computing kpt #: 189 total cpu time spent up to now is 500.8 secs Computing kpt #: 190 total cpu time spent up to now is 503.6 secs Computing kpt #: 191 total cpu time spent up to now is 506.6 secs Computing kpt #: 192 total cpu time spent up to now is 509.0 secs Computing kpt #: 193 total cpu time spent up to now is 511.5 secs Computing kpt #: 194 total cpu time spent up to now is 514.3 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.4 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 520.6 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 523.8 secs Computing kpt #: 198 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 527.1 secs Computing kpt #: 199 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 530.2 secs Computing kpt #: 200 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 533.6 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 536.7 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 539.8 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 542.9 secs Computing kpt #: 204 total cpu time spent up to now is 545.7 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 549.0 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 552.0 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.0 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 558.1 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 561.2 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.2 secs ethr = 1.79E-08, avg # of iterations = 94.0 total cpu time spent up to now is 564.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8289 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6649 -16.6649 -16.6649 -16.6649 -16.6387 -16.6387 -16.3268 -16.3268 -16.3268 -16.3268 -16.3180 -16.3180 -16.2140 -16.2140 -16.1765 -16.1765 -16.1765 -16.1765 -10.1731 -10.1731 -9.9443 -9.9443 -9.9443 -9.9443 -3.4864 -3.4864 1.0520 1.0520 1.0520 1.0520 1.1416 1.1416 1.7725 1.7725 1.7725 1.7725 1.9722 1.9722 2.4045 2.4045 2.7441 2.7441 2.7441 2.7441 5.2920 5.2920 5.5212 5.5212 5.5212 5.5212 7.0607 7.0607 7.0612 7.0612 7.0612 7.0612 7.8067 7.8067 8.8597 8.8597 8.8610 8.8638 k = 0.0000 0.0185-0.0000 ( 8337 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6649 -16.6649 -16.6649 -16.6649 -16.6387 -16.6387 -16.3269 -16.3269 -16.3269 -16.3269 -16.3181 -16.3181 -16.2140 -16.2140 -16.1766 -16.1766 -16.1766 -16.1766 -10.1728 -10.1728 -9.9444 -9.9444 -9.9440 -9.9440 -3.4860 -3.4860 1.0521 1.0521 1.0523 1.0523 1.1417 1.1417 1.7712 1.7712 1.7720 1.7720 1.9712 1.9712 2.4037 2.4037 2.7426 2.7426 2.7435 2.7435 5.2883 5.2883 5.5154 5.5154 5.5187 5.5187 7.0617 7.0617 7.0660 7.0660 7.0663 7.0663 7.8126 7.8126 8.8593 8.8606 8.8622 8.8654 k = 0.0000 0.0370-0.0000 ( 8337 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6650 -16.6650 -16.6649 -16.6649 -16.6388 -16.6388 -16.3269 -16.3269 -16.3269 -16.3269 -16.3182 -16.3182 -16.2140 -16.2140 -16.1767 -16.1767 -16.1766 -16.1766 -10.1718 -10.1718 -9.9446 -9.9446 -9.9433 -9.9433 -3.4851 -3.4851 1.0524 1.0524 1.0532 1.0532 1.1422 1.1422 1.7674 1.7674 1.7707 1.7707 1.9683 1.9683 2.4014 2.4014 2.7381 2.7381 2.7416 2.7416 5.2771 5.2771 5.4984 5.4984 5.5112 5.5112 7.0639 7.0639 7.0814 7.0814 7.0815 7.0815 7.8300 7.8300 8.8557 8.8561 8.8679 8.8694 k = 0.0000 0.0556-0.0000 ( 8325 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6650 -16.6650 -16.6648 -16.6648 -16.6390 -16.6390 -16.3270 -16.3270 -16.3268 -16.3268 -16.3182 -16.3182 -16.2139 -16.2139 -16.1769 -16.1769 -16.1766 -16.1766 -10.1701 -10.1701 -9.9451 -9.9451 -9.9422 -9.9422 -3.4835 -3.4835 1.0530 1.0530 1.0548 1.0548 1.1430 1.1430 1.7612 1.7612 1.7684 1.7684 1.9635 1.9635 2.3975 2.3975 2.7308 2.7308 2.7385 2.7385 5.2582 5.2582 5.4719 5.4719 5.4990 5.4990 7.0675 7.0675 7.1065 7.1065 7.1067 7.1067 7.8577 7.8577 8.8486 8.8487 8.8782 8.8803 k = 0.0000 0.0741-0.0000 ( 8325 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6651 -16.6651 -16.6647 -16.6647 -16.6392 -16.6392 -16.3271 -16.3271 -16.3269 -16.3269 -16.3184 -16.3184 -16.2137 -16.2137 -16.1772 -16.1772 -16.1767 -16.1767 -10.1679 -10.1679 -9.9457 -9.9457 -9.9406 -9.9406 -3.4814 -3.4814 1.0536 1.0536 1.0570 1.0570 1.1443 1.1443 1.7524 1.7524 1.7653 1.7653 1.9571 1.9571 2.3921 2.3921 2.7207 2.7207 2.7342 2.7342 5.2311 5.2311 5.4381 5.4381 5.4828 5.4828 7.0725 7.0725 7.1408 7.1408 7.1412 7.1412 7.8941 7.8941 8.8389 8.8389 8.8929 8.8940 k = 0.0000 0.0926-0.0000 ( 8325 PWs) bands (ev): -35.3666 -35.3666 -35.3603 -35.3603 -35.3602 -35.3602 -16.6652 -16.6652 -16.6645 -16.6645 -16.6395 -16.6395 -16.3273 -16.3273 -16.3268 -16.3268 -16.3185 -16.3185 -16.2136 -16.2136 -16.1776 -16.1776 -16.1768 -16.1768 -10.1650 -10.1650 -9.9465 -9.9465 -9.9386 -9.9386 -3.4787 -3.4787 1.0543 1.0543 1.0597 1.0597 1.1462 1.1462 1.7412 1.7412 1.7612 1.7612 1.9493 1.9493 2.3854 2.3854 2.7080 2.7080 2.7289 2.7289 5.1953 5.1953 5.4000 5.4000 5.4630 5.4630 7.0790 7.0790 7.1836 7.1836 7.1843 7.1843 7.9374 7.9374 8.8265 8.8265 8.9099 8.9147 k = 0.0000 0.1111-0.0000 ( 8325 PWs) bands (ev): -35.3666 -35.3666 -35.3603 -35.3603 -35.3602 -35.3602 -16.6654 -16.6654 -16.6644 -16.6644 -16.6398 -16.6398 -16.3274 -16.3274 -16.3269 -16.3269 -16.3187 -16.3187 -16.2134 -16.2134 -16.1781 -16.1781 -16.1769 -16.1769 -10.1616 -10.1616 -9.9476 -9.9476 -9.9362 -9.9362 -3.4754 -3.4754 1.0549 1.0549 1.0629 1.0629 1.1488 1.1488 1.7276 1.7276 1.7561 1.7561 1.9402 1.9402 2.3775 2.3775 2.6930 2.6930 2.7226 2.7226 5.1503 5.1503 5.3605 5.3605 5.4405 5.4405 7.0867 7.0867 7.2344 7.2344 7.2353 7.2353 7.9856 7.9856 8.8116 8.8116 8.9314 8.9334 k = 0.0000 0.1296-0.0000 ( 8333 PWs) bands (ev): -35.3665 -35.3665 -35.3604 -35.3604 -35.3602 -35.3602 -16.6656 -16.6656 -16.6642 -16.6642 -16.6402 -16.6402 -16.3276 -16.3276 -16.3269 -16.3269 -16.3190 -16.3190 -16.2131 -16.2131 -16.1787 -16.1787 -16.1770 -16.1770 -10.1576 -10.1576 -9.9488 -9.9488 -9.9334 -9.9334 -3.4717 -3.4717 1.0553 1.0553 1.0667 1.0667 1.1523 1.1523 1.7119 1.7119 1.7501 1.7501 1.9301 1.9301 2.3684 2.3684 2.6758 2.6758 2.7155 2.7155 5.0965 5.0965 5.3217 5.3217 5.4158 5.4158 7.0958 7.0958 7.2924 7.2924 7.2934 7.2934 8.0368 8.0368 8.7943 8.7943 8.9564 8.9581 k = 0.0000 0.1481-0.0000 ( 8333 PWs) bands (ev): -35.3664 -35.3664 -35.3605 -35.3605 -35.3602 -35.3602 -16.6658 -16.6658 -16.6640 -16.6640 -16.6406 -16.6406 -16.3279 -16.3279 -16.3269 -16.3269 -16.3192 -16.3192 -16.2129 -16.2129 -16.1792 -16.1792 -16.1771 -16.1771 -10.1530 -10.1530 -9.9502 -9.9502 -9.9303 -9.9303 -3.4676 -3.4676 1.0554 1.0554 1.0707 1.0707 1.1568 1.1568 1.6942 1.6942 1.7431 1.7431 1.9191 1.9191 2.3584 2.3584 2.6569 2.6569 2.7076 2.7076 5.0353 5.0353 5.2845 5.2845 5.3896 5.3896 7.1061 7.1061 7.3568 7.3568 7.3577 7.3577 8.0897 8.0897 8.7749 8.7749 8.9843 8.9861 k = 0.0000 0.1667-0.0000 ( 8317 PWs) bands (ev): -35.3663 -35.3663 -35.3605 -35.3605 -35.3602 -35.3602 -16.6660 -16.6660 -16.6637 -16.6637 -16.6410 -16.6410 -16.3281 -16.3281 -16.3269 -16.3269 -16.3195 -16.3195 -16.2125 -16.2125 -16.1799 -16.1799 -16.1772 -16.1772 -10.1480 -10.1480 -9.9518 -9.9518 -9.9269 -9.9269 -3.4630 -3.4630 1.0553 1.0553 1.0751 1.0751 1.1623 1.1623 1.6749 1.6749 1.7351 1.7351 1.9075 1.9075 2.3476 2.3476 2.6364 2.6364 2.6991 2.6991 4.9683 4.9683 5.2492 5.2492 5.3624 5.3624 7.1176 7.1176 7.4270 7.4270 7.4276 7.4276 8.1428 8.1428 8.7535 8.7535 9.0137 9.0152 k = 0.0000 0.1852-0.0000 ( 8337 PWs) bands (ev): -35.3663 -35.3663 -35.3606 -35.3606 -35.3602 -35.3602 -16.6662 -16.6662 -16.6635 -16.6635 -16.6416 -16.6416 -16.3283 -16.3283 -16.3270 -16.3270 -16.3198 -16.3198 -16.2122 -16.2122 -16.1807 -16.1807 -16.1774 -16.1774 -10.1425 -10.1425 -9.9536 -9.9536 -9.9233 -9.9233 -3.4581 -3.4581 1.0549 1.0549 1.0797 1.0797 1.1690 1.1690 1.6543 1.6543 1.7261 1.7261 1.8953 1.8953 2.3363 2.3363 2.6147 2.6147 2.6901 2.6901 4.8976 4.8976 5.2158 5.2158 5.3349 5.3349 7.1301 7.1301 7.5023 7.5023 7.5024 7.5024 8.1954 8.1954 8.7304 8.7304 9.0182 9.0194 k = 0.0000 0.2037-0.0000 ( 8345 PWs) bands (ev): -35.3662 -35.3662 -35.3607 -35.3607 -35.3601 -35.3601 -16.6665 -16.6665 -16.6632 -16.6632 -16.6422 -16.6422 -16.3286 -16.3286 -16.3270 -16.3270 -16.3201 -16.3201 -16.2118 -16.2118 -16.1815 -16.1815 -16.1775 -16.1775 -10.1366 -10.1366 -9.9556 -9.9556 -9.9195 -9.9195 -3.4530 -3.4530 1.0542 1.0542 1.0844 1.0844 1.1769 1.1769 1.6330 1.6330 1.7160 1.7160 1.8827 1.8827 2.3245 2.3245 2.5920 2.5920 2.6809 2.6809 4.8251 4.8251 5.1839 5.1839 5.3073 5.3073 7.1437 7.1437 7.5813 7.5813 7.5821 7.5821 8.2470 8.2470 8.7058 8.7058 9.0250 9.0251 k = 0.0000 0.2222-0.0000 ( 8325 PWs) bands (ev): -35.3661 -35.3661 -35.3608 -35.3608 -35.3601 -35.3601 -16.6667 -16.6667 -16.6629 -16.6629 -16.6427 -16.6427 -16.3289 -16.3289 -16.3271 -16.3271 -16.3203 -16.3203 -16.2114 -16.2114 -16.1823 -16.1823 -16.1777 -16.1777 -10.1303 -10.1303 -9.9579 -9.9579 -9.9155 -9.9155 -3.4477 -3.4477 1.0533 1.0533 1.0889 1.0889 1.1858 1.1858 1.6113 1.6113 1.7049 1.7049 1.8696 1.8696 2.3125 2.3125 2.5688 2.5688 2.6714 2.6714 4.7521 4.7521 5.1537 5.1537 5.2802 5.2802 7.1581 7.1581 7.6640 7.6640 7.6658 7.6658 8.2972 8.2972 8.6800 8.6800 9.0326 9.0327 k = 0.0000 0.2407-0.0000 ( 8317 PWs) bands (ev): -35.3659 -35.3659 -35.3609 -35.3609 -35.3601 -35.3601 -16.6669 -16.6669 -16.6625 -16.6625 -16.6434 -16.6434 -16.3291 -16.3291 -16.3272 -16.3272 -16.3206 -16.3206 -16.2109 -16.2109 -16.1832 -16.1832 -16.1778 -16.1778 -10.1238 -10.1238 -9.9604 -9.9604 -9.9115 -9.9115 -3.4423 -3.4423 1.0523 1.0523 1.0933 1.0933 1.1959 1.1959 1.5899 1.5899 1.6928 1.6928 1.8562 1.8562 2.3005 2.3005 2.5453 2.5453 2.6620 2.6620 4.6799 4.6799 5.1249 5.1249 5.2538 5.2538 7.1733 7.1733 7.7496 7.7496 7.7527 7.7527 8.3459 8.3459 8.6533 8.6533 9.0404 9.0404 k = 0.0000 0.2593-0.0000 ( 8325 PWs) bands (ev): -35.3658 -35.3658 -35.3610 -35.3610 -35.3601 -35.3601 -16.6672 -16.6672 -16.6621 -16.6621 -16.6441 -16.6441 -16.3294 -16.3294 -16.3272 -16.3272 -16.3208 -16.3208 -16.2104 -16.2104 -16.1841 -16.1841 -16.1780 -16.1780 -10.1169 -10.1169 -9.9632 -9.9632 -9.9074 -9.9074 -3.4369 -3.4369 1.0513 1.0513 1.0973 1.0973 1.2070 1.2070 1.5692 1.5692 1.6796 1.6796 1.8425 1.8425 2.2886 2.2886 2.5218 2.5218 2.6526 2.6526 4.6095 4.6095 5.0977 5.0977 5.2284 5.2284 7.1891 7.1891 7.8376 7.8376 7.8422 7.8422 8.3931 8.3931 8.6260 8.6260 9.0483 9.0483 k = 0.0000 0.2778-0.0000 ( 8325 PWs) bands (ev): -35.3657 -35.3657 -35.3612 -35.3612 -35.3601 -35.3601 -16.6674 -16.6674 -16.6617 -16.6617 -16.6448 -16.6448 -16.3297 -16.3297 -16.3274 -16.3274 -16.3210 -16.3210 -16.2099 -16.2099 -16.1851 -16.1851 -16.1781 -16.1781 -10.1098 -10.1098 -9.9661 -9.9661 -9.9033 -9.9033 -3.4315 -3.4315 1.0503 1.0503 1.1006 1.1006 1.2190 1.2190 1.5497 1.5497 1.6655 1.6655 1.8286 1.8286 2.2771 2.2771 2.4986 2.4986 2.6435 2.6435 4.5417 4.5417 5.0721 5.0721 5.2042 5.2042 7.2054 7.2054 7.9275 7.9275 7.9339 7.9339 8.4390 8.4390 8.5983 8.5983 9.0564 9.0564 k = 0.0000 0.2963-0.0000 ( 8317 PWs) bands (ev): -35.3656 -35.3656 -35.3613 -35.3613 -35.3601 -35.3601 -16.6677 -16.6677 -16.6613 -16.6613 -16.6455 -16.6455 -16.3300 -16.3300 -16.3275 -16.3275 -16.3213 -16.3213 -16.2093 -16.2093 -16.1860 -16.1860 -16.1783 -16.1783 -10.1025 -10.1025 -9.9694 -9.9694 -9.8994 -9.8994 -3.4262 -3.4262 1.0494 1.0494 1.1033 1.1033 1.2320 1.2320 1.5319 1.5319 1.6505 1.6505 1.8146 1.8146 2.2660 2.2660 2.4760 2.4760 2.6347 2.6347 4.4774 4.4774 5.0482 5.0482 5.1815 5.1815 7.2219 7.2219 8.0185 8.0185 8.0270 8.0270 8.4836 8.4836 8.5708 8.5708 9.0645 9.0645 k = 0.0000 0.3148-0.0000 ( 8321 PWs) bands (ev): -35.3655 -35.3655 -35.3614 -35.3614 -35.3601 -35.3601 -16.6679 -16.6679 -16.6608 -16.6608 -16.6462 -16.6462 -16.3303 -16.3303 -16.3276 -16.3276 -16.3214 -16.3214 -16.2087 -16.2087 -16.1870 -16.1870 -16.1784 -16.1784 -10.0952 -10.0952 -9.9729 -9.9729 -9.8955 -9.8955 -3.4210 -3.4210 1.0487 1.0487 1.1051 1.1051 1.2457 1.2457 1.5161 1.5161 1.6346 1.6346 1.8006 1.8006 2.2555 2.2555 2.4542 2.4542 2.6264 2.6264 4.4169 4.4169 5.0261 5.0261 5.1603 5.1603 7.2383 7.2383 8.1100 8.1100 8.1209 8.1209 8.5271 8.5271 8.5436 8.5436 9.0725 9.0725 k = 0.0000 0.3333-0.0000 ( 8321 PWs) bands (ev): -35.3653 -35.3653 -35.3615 -35.3615 -35.3601 -35.3601 -16.6681 -16.6681 -16.6603 -16.6603 -16.6470 -16.6470 -16.3305 -16.3305 -16.3277 -16.3277 -16.3216 -16.3216 -16.2081 -16.2081 -16.1880 -16.1880 -16.1786 -16.1786 -10.0877 -10.0877 -9.9767 -9.9767 -9.8919 -9.8919 -3.4162 -3.4162 1.0481 1.0481 1.1060 1.1060 1.2602 1.2602 1.5027 1.5027 1.6180 1.6180 1.7868 1.7868 2.2457 2.2457 2.4336 2.4336 2.6186 2.6186 4.3609 4.3609 5.0059 5.0059 5.1407 5.1407 7.2546 7.2546 8.2011 8.2011 8.2148 8.2148 8.5173 8.5173 8.5695 8.5695 9.0802 9.0802 k = 0.0000 0.3519-0.0000 ( 8313 PWs) bands (ev): -35.3652 -35.3652 -35.3617 -35.3617 -35.3601 -35.3601 -16.6683 -16.6683 -16.6598 -16.6598 -16.6478 -16.6478 -16.3307 -16.3307 -16.3279 -16.3279 -16.3217 -16.3217 -16.2075 -16.2075 -16.1890 -16.1890 -16.1787 -16.1787 -10.0802 -10.0802 -9.9807 -9.9807 -9.8885 -9.8885 -3.4116 -3.4116 1.0477 1.0477 1.1059 1.1059 1.2752 1.2752 1.4918 1.4918 1.6008 1.6008 1.7732 1.7732 2.2367 2.2367 2.4144 2.4144 2.6115 2.6115 4.3098 4.3098 4.9877 4.9877 5.1230 5.1230 7.2704 7.2704 8.2909 8.2909 8.3077 8.3077 8.4921 8.4921 8.6110 8.6110 9.0875 9.0876 k = 0.0000 0.3704-0.0000 ( 8313 PWs) bands (ev): -35.3651 -35.3651 -35.3618 -35.3618 -35.3601 -35.3601 -16.6685 -16.6685 -16.6592 -16.6592 -16.6485 -16.6485 -16.3310 -16.3310 -16.3280 -16.3280 -16.3219 -16.3219 -16.2068 -16.2068 -16.1900 -16.1900 -16.1788 -16.1788 -10.0727 -10.0727 -9.9851 -9.9851 -9.8853 -9.8853 -3.4074 -3.4074 1.0475 1.0475 1.1050 1.1050 1.2908 1.2908 1.4833 1.4833 1.5832 1.5832 1.7602 1.7602 2.2286 2.2286 2.3969 2.3969 2.6050 2.6050 4.2639 4.2639 4.9714 4.9714 5.1072 5.1072 7.2855 7.2855 8.3782 8.3782 8.3986 8.3986 8.4686 8.4686 8.6517 8.6517 9.0944 9.0944 k = 0.0000 0.3889-0.0000 ( 8333 PWs) bands (ev): -35.3649 -35.3649 -35.3619 -35.3619 -35.3601 -35.3601 -16.6687 -16.6687 -16.6587 -16.6587 -16.6493 -16.6493 -16.3312 -16.3312 -16.3282 -16.3282 -16.3220 -16.3220 -16.2062 -16.2062 -16.1909 -16.1909 -16.1790 -16.1790 -10.0652 -10.0652 -9.9897 -9.9897 -9.8825 -9.8825 -3.4037 -3.4037 1.0475 1.0475 1.1034 1.1034 1.3067 1.3067 1.4772 1.4772 1.5653 1.5653 1.7480 1.7480 2.2214 2.2214 2.3812 2.3812 2.5993 2.5993 4.2236 4.2236 4.9572 4.9572 5.0934 5.0934 7.2994 7.2994 8.4468 8.4468 8.4619 8.4619 8.4862 8.4862 8.6914 8.6914 9.1006 9.1006 k = 0.0000 0.4074-0.0000 ( 8329 PWs) bands (ev): -35.3648 -35.3648 -35.3620 -35.3620 -35.3601 -35.3601 -16.6689 -16.6689 -16.6581 -16.6581 -16.6501 -16.6501 -16.3313 -16.3313 -16.3283 -16.3283 -16.3221 -16.3221 -16.2055 -16.2055 -16.1918 -16.1918 -16.1790 -16.1790 -10.0579 -10.0579 -9.9946 -9.9946 -9.8800 -9.8800 -3.4004 -3.4004 1.0475 1.0475 1.1014 1.1014 1.3227 1.3227 1.4731 1.4731 1.5475 1.5475 1.7368 1.7368 2.2152 2.2152 2.3675 2.3675 2.5944 2.5944 4.1891 4.1891 4.9451 4.9451 5.0816 5.0816 7.3120 7.3120 8.4278 8.4278 8.5398 8.5398 8.5686 8.5686 8.7301 8.7301 9.0906 9.0906 k = 0.0000 0.4259-0.0000 ( 8333 PWs) bands (ev): -35.3647 -35.3647 -35.3621 -35.3621 -35.3601 -35.3601 -16.6690 -16.6690 -16.6575 -16.6575 -16.6508 -16.6508 -16.3315 -16.3315 -16.3284 -16.3284 -16.3221 -16.3221 -16.2049 -16.2049 -16.1927 -16.1927 -16.1791 -16.1791 -10.0506 -10.0506 -9.9997 -9.9997 -9.8780 -9.8780 -3.3977 -3.3977 1.0477 1.0477 1.0992 1.0992 1.3385 1.3385 1.4706 1.4706 1.5301 1.5301 1.7270 1.7270 2.2101 2.2101 2.3561 2.3561 2.5903 2.5903 4.1605 4.1605 4.9352 4.9352 5.0719 5.0719 7.3228 7.3228 8.4114 8.4114 8.6100 8.6100 8.6436 8.6436 8.7677 8.7677 9.0617 9.0617 k = 0.0000 0.4444-0.0000 ( 8330 PWs) bands (ev): -35.3646 -35.3646 -35.3622 -35.3622 -35.3601 -35.3601 -16.6691 -16.6691 -16.6570 -16.6570 -16.6515 -16.6515 -16.3316 -16.3316 -16.3285 -16.3285 -16.3222 -16.3222 -16.2044 -16.2044 -16.1934 -16.1934 -16.1792 -16.1792 -10.0435 -10.0435 -10.0052 -10.0052 -9.8764 -9.8764 -3.3955 -3.3955 1.0478 1.0478 1.0971 1.0971 1.3535 1.3535 1.4694 1.4694 1.5139 1.5139 1.7189 1.7189 2.2061 2.2061 2.3471 2.3471 2.5871 2.5871 4.1382 4.1382 4.9274 4.9274 5.0643 5.0643 7.3316 7.3316 8.3983 8.3983 8.6697 8.6697 8.7081 8.7081 8.8038 8.8038 9.0323 9.0323 k = 0.0000 0.4630-0.0000 ( 8346 PWs) bands (ev): -35.3646 -35.3646 -35.3623 -35.3623 -35.3601 -35.3601 -16.6692 -16.6692 -16.6565 -16.6565 -16.6520 -16.6520 -16.3317 -16.3317 -16.3286 -16.3286 -16.3222 -16.3222 -16.2039 -16.2039 -16.1940 -16.1940 -16.1792 -16.1792 -10.0366 -10.0366 -10.0109 -10.0109 -9.8752 -9.8752 -3.3940 -3.3940 1.0480 1.0480 1.0955 1.0955 1.3666 1.3666 1.4689 1.4689 1.4998 1.4998 1.7129 1.7129 2.2032 2.2032 2.3406 2.3406 2.5848 2.5848 4.1221 4.1221 4.9219 4.9219 5.0588 5.0588 7.3381 7.3381 8.3887 8.3887 8.7157 8.7157 8.7585 8.7585 8.8374 8.8374 9.0034 9.0034 k = 0.0000 0.4815-0.0000 ( 8350 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3601 -35.3601 -16.6693 -16.6693 -16.6561 -16.6561 -16.6525 -16.6525 -16.3317 -16.3317 -16.3286 -16.3286 -16.3222 -16.3222 -16.2036 -16.2036 -16.1943 -16.1943 -16.1792 -16.1792 -10.0300 -10.0300 -10.0168 -10.0168 -9.8745 -9.8745 -3.3930 -3.3930 1.0481 1.0481 1.0944 1.0944 1.3762 1.3762 1.4687 1.4687 1.4896 1.4896 1.7091 1.7091 2.2014 2.2014 2.3366 2.3366 2.5834 2.5834 4.1124 4.1124 4.9185 4.9185 5.0556 5.0556 7.3421 7.3421 8.3828 8.3828 8.7450 8.7450 8.7910 8.7910 8.8656 8.8656 8.9780 8.9780 k = 0.0000 0.5000-0.0000 ( 8330 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3601 -35.3601 -16.6693 -16.6693 -16.6559 -16.6559 -16.6526 -16.6526 -16.3317 -16.3317 -16.3287 -16.3287 -16.3222 -16.3222 -16.2035 -16.2035 -16.1944 -16.1944 -16.1792 -16.1792 -10.0249 -10.0249 -10.0217 -10.0217 -9.8742 -9.8742 -3.3927 -3.3927 1.0481 1.0481 1.0940 1.0940 1.3798 1.3798 1.4687 1.4687 1.4858 1.4858 1.7078 1.7078 2.2008 2.2008 2.3353 2.3353 2.5830 2.5830 4.1092 4.1092 4.9174 4.9174 5.0545 5.0545 7.3435 7.3435 8.3809 8.3809 8.7551 8.7551 8.8022 8.8022 8.8786 8.8786 8.9661 8.9661 k = 0.0000 0.5000-0.0000 ( 8330 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3601 -35.3601 -16.6693 -16.6693 -16.6559 -16.6559 -16.6526 -16.6526 -16.3317 -16.3317 -16.3287 -16.3287 -16.3222 -16.3222 -16.2035 -16.2035 -16.1944 -16.1944 -16.1792 -16.1792 -10.0249 -10.0249 -10.0217 -10.0217 -9.8742 -9.8742 -3.3927 -3.3927 1.0481 1.0481 1.0940 1.0940 1.3798 1.3798 1.4687 1.4687 1.4858 1.4858 1.7078 1.7078 2.2008 2.2008 2.3353 2.3353 2.5830 2.5830 4.1092 4.1092 4.9174 4.9174 5.0545 5.0545 7.3435 7.3435 8.3809 8.3809 8.7551 8.7551 8.8022 8.8022 8.8786 8.8786 8.9661 8.9661 k = 0.0185 0.5000-0.0000 ( 8346 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3601 -35.3601 -16.6693 -16.6693 -16.6560 -16.6560 -16.6526 -16.6526 -16.3318 -16.3318 -16.3288 -16.3288 -16.3221 -16.3221 -16.2036 -16.2036 -16.1944 -16.1944 -16.1792 -16.1792 -10.0246 -10.0246 -10.0214 -10.0214 -9.8742 -9.8742 -3.3923 -3.3923 1.0477 1.0477 1.0932 1.0932 1.3775 1.3775 1.4697 1.4697 1.4853 1.4853 1.7082 1.7082 2.1952 2.1952 2.3388 2.3388 2.5833 2.5833 4.1101 4.1101 4.9150 4.9150 5.0518 5.0518 7.3478 7.3478 8.3830 8.3830 8.7555 8.7555 8.8023 8.8023 8.8820 8.8820 8.9698 8.9698 k = 0.0370 0.5000-0.0000 ( 8342 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3601 -35.3601 -16.6694 -16.6694 -16.6563 -16.6563 -16.6524 -16.6524 -16.3321 -16.3321 -16.3291 -16.3291 -16.3215 -16.3215 -16.2038 -16.2038 -16.1943 -16.1943 -16.1792 -16.1792 -10.0239 -10.0239 -10.0207 -10.0207 -9.8743 -9.8743 -3.3911 -3.3911 1.0463 1.0463 1.0906 1.0906 1.3710 1.3710 1.4720 1.4720 1.4840 1.4840 1.7095 1.7095 2.1800 2.1800 2.3476 2.3476 2.5843 2.5843 4.1128 4.1128 4.9078 4.9078 5.0440 5.0440 7.3610 7.3610 8.3898 8.3898 8.7569 8.7569 8.8030 8.8030 8.8918 8.8918 8.9802 8.9802 k = 0.0556 0.5000-0.0000 ( 8330 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3602 -35.3602 -16.6694 -16.6694 -16.6566 -16.6566 -16.6522 -16.6522 -16.3325 -16.3325 -16.3296 -16.3296 -16.3208 -16.3208 -16.2041 -16.2041 -16.1942 -16.1942 -16.1791 -16.1791 -10.0227 -10.0227 -10.0195 -10.0195 -9.8743 -9.8743 -3.3891 -3.3891 1.0441 1.0441 1.0864 1.0864 1.3612 1.3612 1.4736 1.4736 1.4834 1.4834 1.7114 1.7114 2.1583 2.1583 2.3583 2.3583 2.5863 2.5863 4.1172 4.1172 4.8960 4.8960 5.0313 5.0313 7.3827 7.3827 8.4009 8.4009 8.7596 8.7596 8.8048 8.8048 8.9070 8.9070 8.9958 8.9958 k = 0.0741 0.5000-0.0000 ( 8330 PWs) bands (ev): -35.3644 -35.3644 -35.3623 -35.3623 -35.3602 -35.3602 -16.6695 -16.6695 -16.6571 -16.6571 -16.6520 -16.6520 -16.3332 -16.3332 -16.3300 -16.3300 -16.3200 -16.3200 -16.2045 -16.2045 -16.1940 -16.1940 -16.1789 -16.1789 -10.0211 -10.0211 -10.0178 -10.0178 -9.8743 -9.8743 -3.3864 -3.3864 1.0409 1.0409 1.0804 1.0804 1.3492 1.3492 1.4716 1.4716 1.4857 1.4857 1.7139 1.7139 2.1325 2.1325 2.3683 2.3683 2.5899 2.5899 4.1231 4.1231 4.8797 4.8797 5.0141 5.0141 7.4127 7.4127 8.4163 8.4163 8.7642 8.7642 8.8082 8.8082 8.9259 8.9259 9.0149 9.0149 k = 0.0926 0.5000-0.0000 ( 8318 PWs) bands (ev): -35.3644 -35.3644 -35.3623 -35.3623 -35.3602 -35.3602 -16.6696 -16.6696 -16.6576 -16.6576 -16.6517 -16.6517 -16.3340 -16.3340 -16.3304 -16.3304 -16.3191 -16.3191 -16.2050 -16.2050 -16.1939 -16.1939 -16.1787 -16.1787 -10.0190 -10.0190 -10.0157 -10.0157 -9.8744 -9.8744 -3.3830 -3.3830 1.0366 1.0366 1.0727 1.0727 1.3357 1.3357 1.4670 1.4670 1.4896 1.4896 1.7167 1.7167 2.1042 2.1042 2.3757 2.3757 2.5956 2.5956 4.1303 4.1303 4.8592 4.8592 4.9932 4.9932 7.4505 7.4505 8.4359 8.4359 8.7710 8.7710 8.8138 8.8138 8.9467 8.9467 9.0355 9.0355 k = 0.1111 0.5000-0.0000 ( 8334 PWs) bands (ev): -35.3644 -35.3644 -35.3623 -35.3623 -35.3603 -35.3603 -16.6697 -16.6697 -16.6582 -16.6582 -16.6515 -16.6515 -16.3350 -16.3350 -16.3307 -16.3307 -16.3182 -16.3182 -16.2056 -16.2056 -16.1937 -16.1937 -16.1785 -16.1785 -10.0165 -10.0165 -10.0132 -10.0132 -9.8745 -9.8745 -3.3789 -3.3789 1.0312 1.0312 1.0633 1.0633 1.3214 1.3214 1.4611 1.4611 1.4940 1.4940 1.7197 1.7197 2.0743 2.0743 2.3797 2.3797 2.6038 2.6038 4.1385 4.1385 4.8348 4.8348 4.9691 4.9691 7.4958 7.4958 8.4594 8.4594 8.7802 8.7802 8.8220 8.8220 8.9676 8.9676 9.0559 9.0559 k = 0.1296 0.5000-0.0000 ( 8330 PWs) bands (ev): -35.3643 -35.3643 -35.3623 -35.3623 -35.3603 -35.3603 -16.6699 -16.6699 -16.6587 -16.6587 -16.6513 -16.6513 -16.3360 -16.3360 -16.3310 -16.3310 -16.3172 -16.3172 -16.2062 -16.2062 -16.1936 -16.1936 -16.1782 -16.1782 -10.0137 -10.0137 -10.0103 -10.0103 -9.8746 -9.8746 -3.3741 -3.3741 1.0245 1.0245 1.0524 1.0524 1.3067 1.3067 1.4545 1.4545 1.4983 1.4983 1.7226 1.7226 2.0434 2.0434 2.3797 2.3797 2.6146 2.6146 4.1474 4.1474 4.8069 4.8069 4.9428 4.9428 7.5479 7.5479 8.4866 8.4866 8.7916 8.7916 8.8335 8.8335 8.9874 8.9874 9.0752 9.0752 k = 0.1481 0.5000-0.0000 ( 8314 PWs) bands (ev): -35.3643 -35.3643 -35.3623 -35.3623 -35.3603 -35.3603 -16.6701 -16.6701 -16.6593 -16.6593 -16.6510 -16.6510 -16.3370 -16.3370 -16.3313 -16.3313 -16.3163 -16.3163 -16.2068 -16.2068 -16.1934 -16.1934 -16.1779 -16.1779 -10.0105 -10.0105 -10.0071 -10.0071 -9.8747 -9.8747 -3.3688 -3.3688 1.0160 1.0160 1.0405 1.0405 1.2920 1.2920 1.4473 1.4473 1.5026 1.5026 1.7254 1.7254 2.0123 2.0123 2.3759 2.3759 2.6278 2.6278 4.1568 4.1568 4.7758 4.7758 4.9148 4.9148 7.6064 7.6064 8.5174 8.5174 8.8044 8.8044 8.8493 8.8493 9.0057 9.0057 9.0926 9.0926 k = 0.1667 0.5000-0.0000 ( 8330 PWs) bands (ev): -35.3642 -35.3642 -35.3623 -35.3623 -35.3604 -35.3604 -16.6703 -16.6703 -16.6599 -16.6599 -16.6509 -16.6509 -16.3381 -16.3381 -16.3317 -16.3317 -16.3154 -16.3154 -16.2075 -16.2075 -16.1934 -16.1934 -16.1775 -16.1775 -10.0070 -10.0070 -10.0036 -10.0036 -9.8748 -9.8748 -3.3631 -3.3631 1.0053 1.0053 1.0282 1.0282 1.2774 1.2774 1.4397 1.4397 1.5068 1.5068 1.7278 1.7278 1.9813 1.9813 2.3686 2.3686 2.6429 2.6429 4.1664 4.1664 4.7421 4.7421 4.8859 4.8859 7.6706 7.6706 8.5513 8.5513 8.8178 8.8178 8.8702 8.8702 9.0225 9.0225 9.1079 9.1079 k = 0.1852 0.5000-0.0000 ( 8322 PWs) bands (ev): -35.3641 -35.3641 -35.3623 -35.3623 -35.3605 -35.3605 -16.6705 -16.6705 -16.6605 -16.6605 -16.6507 -16.6507 -16.3392 -16.3392 -16.3320 -16.3320 -16.3146 -16.3146 -16.2082 -16.2082 -16.1933 -16.1933 -16.1772 -16.1772 -10.0032 -10.0032 -9.9998 -9.9998 -9.8750 -9.8750 -3.3568 -3.3568 0.9919 0.9919 1.0162 1.0162 1.2631 1.2631 1.4319 1.4319 1.5110 1.5110 1.7299 1.7299 1.9509 1.9509 2.3583 2.3583 2.6595 2.6595 4.1759 4.1759 4.7063 4.7063 4.8566 4.8566 7.7401 7.7401 8.5880 8.5880 8.8314 8.8314 8.8966 8.8966 9.0383 9.0383 9.1213 9.1213 k = 0.2037 0.5000-0.0000 ( 8306 PWs) bands (ev): -35.3641 -35.3641 -35.3623 -35.3623 -35.3605 -35.3605 -16.6708 -16.6708 -16.6611 -16.6611 -16.6506 -16.6506 -16.3402 -16.3402 -16.3324 -16.3324 -16.3137 -16.3137 -16.2089 -16.2089 -16.1932 -16.1932 -16.1768 -16.1768 -9.9992 -9.9992 -9.9958 -9.9958 -9.8752 -9.8752 -3.3503 -3.3503 0.9761 0.9761 1.0046 1.0046 1.2493 1.2493 1.4238 1.4238 1.5154 1.5154 1.7314 1.7314 1.9217 1.9217 2.3457 2.3457 2.6769 2.6769 4.1851 4.1851 4.6691 4.6691 4.8274 4.8274 7.8144 7.8144 8.6270 8.6270 8.8454 8.8454 8.9283 8.9283 9.0532 9.0532 9.1330 9.1330 k = 0.2222 0.5000-0.0000 ( 8310 PWs) bands (ev): -35.3640 -35.3640 -35.3623 -35.3623 -35.3606 -35.3606 -16.6711 -16.6711 -16.6616 -16.6616 -16.6505 -16.6505 -16.3412 -16.3412 -16.3327 -16.3327 -16.3130 -16.3130 -16.2096 -16.2096 -16.1932 -16.1932 -16.1764 -16.1764 -9.9951 -9.9951 -9.9917 -9.9917 -9.8754 -9.8754 -3.3435 -3.3435 0.9586 0.9586 0.9931 0.9931 1.2359 1.2359 1.4154 1.4154 1.5199 1.5199 1.7324 1.7324 1.8941 1.8941 2.3312 2.3312 2.6949 2.6949 4.1939 4.1939 4.6311 4.6311 4.7987 4.7987 7.8928 7.8928 8.6679 8.6679 8.8599 8.8599 8.9648 8.9648 9.0676 9.0676 9.1433 9.1433 k = 0.2407 0.5000-0.0000 ( 8312 PWs) bands (ev): -35.3639 -35.3639 -35.3623 -35.3623 -35.3607 -35.3607 -16.6714 -16.6714 -16.6621 -16.6621 -16.6504 -16.6504 -16.3422 -16.3422 -16.3331 -16.3331 -16.3122 -16.3122 -16.2102 -16.2102 -16.1932 -16.1932 -16.1760 -16.1760 -9.9908 -9.9908 -9.9875 -9.9875 -9.8756 -9.8756 -3.3365 -3.3365 0.9400 0.9400 0.9813 0.9813 1.2230 1.2230 1.4068 1.4068 1.5248 1.5248 1.7329 1.7329 1.8684 1.8684 2.3151 2.3151 2.7128 2.7128 4.2020 4.2020 4.5930 4.5930 4.7708 4.7708 7.9749 7.9749 8.7100 8.7100 8.8753 8.8753 9.0057 9.0057 9.0815 9.0815 9.1524 9.1524 k = 0.2593 0.5000-0.0000 ( 8316 PWs) bands (ev): -35.3638 -35.3638 -35.3623 -35.3623 -35.3608 -35.3608 -16.6718 -16.6718 -16.6626 -16.6626 -16.6504 -16.6504 -16.3432 -16.3432 -16.3335 -16.3335 -16.3115 -16.3115 -16.2109 -16.2109 -16.1933 -16.1933 -16.1756 -16.1756 -9.9865 -9.9865 -9.9832 -9.9832 -9.8759 -9.8759 -3.3295 -3.3295 0.9211 0.9211 0.9692 0.9692 1.2107 1.2107 1.3979 1.3979 1.5300 1.5300 1.7327 1.7327 1.8451 1.8451 2.2981 2.2981 2.7306 2.7306 4.2093 4.2093 4.5554 4.5554 4.7439 4.7439 8.0603 8.0603 8.7527 8.7527 8.8916 8.8916 9.0506 9.0506 9.0951 9.0951 9.1605 9.1605 k = 0.2778 0.5000-0.0000 ( 8306 PWs) bands (ev): -35.3637 -35.3637 -35.3623 -35.3623 -35.3609 -35.3609 -16.6721 -16.6721 -16.6631 -16.6631 -16.6504 -16.6504 -16.3441 -16.3441 -16.3338 -16.3338 -16.3109 -16.3109 -16.2115 -16.2115 -16.1933 -16.1933 -16.1752 -16.1752 -9.9822 -9.9822 -9.9790 -9.9790 -9.8762 -9.8762 -3.3224 -3.3224 0.9022 0.9022 0.9568 0.9568 1.1991 1.1991 1.3887 1.3887 1.5355 1.5355 1.7319 1.7319 1.8244 1.8244 2.2803 2.2803 2.7478 2.7478 4.2157 4.2157 4.5189 4.5189 4.7183 4.7183 8.1483 8.1483 8.7951 8.7951 8.9093 8.9093 9.0989 9.0989 9.1085 9.1085 9.1679 9.1679 k = 0.2963 0.5000-0.0000 ( 8314 PWs) bands (ev): -35.3636 -35.3636 -35.3623 -35.3623 -35.3610 -35.3610 -16.6725 -16.6725 -16.6635 -16.6635 -16.6503 -16.6503 -16.3449 -16.3449 -16.3341 -16.3341 -16.3103 -16.3103 -16.2121 -16.2121 -16.1934 -16.1934 -16.1748 -16.1748 -9.9780 -9.9780 -9.9748 -9.9748 -9.8765 -9.8765 -3.3155 -3.3155 0.8838 0.8838 0.9443 0.9443 1.1880 1.1880 1.3793 1.3793 1.5413 1.5413 1.7302 1.7302 1.8068 1.8068 2.2621 2.2621 2.7642 2.7642 4.2211 4.2211 4.4840 4.4840 4.6942 4.6942 8.2385 8.2385 8.8359 8.8359 8.9288 8.9288 9.1211 9.1211 9.1501 9.1501 9.1751 9.1751 k = 0.3148 0.5000-0.0000 ( 8310 PWs) bands (ev): -35.3635 -35.3635 -35.3623 -35.3623 -35.3611 -35.3611 -16.6729 -16.6729 -16.6639 -16.6639 -16.6503 -16.6503 -16.3457 -16.3457 -16.3345 -16.3345 -16.3097 -16.3097 -16.2126 -16.2126 -16.1934 -16.1934 -16.1745 -16.1745 -9.9739 -9.9739 -9.9707 -9.9707 -9.8769 -9.8769 -3.3089 -3.3089 0.8661 0.8661 0.9318 0.9318 1.1776 1.1776 1.3697 1.3697 1.5472 1.5472 1.7277 1.7277 1.7923 1.7923 2.2439 2.2439 2.7798 2.7798 4.2254 4.2254 4.4513 4.4513 4.6717 4.6717 8.3305 8.3305 8.8738 8.8738 8.9508 8.9508 9.1336 9.1336 9.1787 9.1787 9.2066 9.2066 k = 0.3333 0.5000-0.0000 ( 8296 PWs) bands (ev): -35.3634 -35.3634 -35.3623 -35.3623 -35.3612 -35.3612 -16.6732 -16.6732 -16.6642 -16.6642 -16.6503 -16.6503 -16.3464 -16.3464 -16.3348 -16.3348 -16.3092 -16.3092 -16.2131 -16.2131 -16.1935 -16.1935 -16.1741 -16.1741 -9.9699 -9.9699 -9.9669 -9.9669 -9.8772 -9.8772 -3.3025 -3.3025 0.8495 0.8495 0.9195 0.9195 1.1680 1.1680 1.3602 1.3602 1.5533 1.5533 1.7242 1.7242 1.7813 1.7813 2.2259 2.2259 2.7943 2.7943 4.2285 4.2285 4.4213 4.4213 4.6510 4.6510 8.4236 8.4236 8.9069 8.9069 8.9760 8.9760 9.1456 9.1456 9.1846 9.1846 9.2625 9.2625 k = 0.3519 0.5000-0.0000 ( 8304 PWs) bands (ev): -35.3633 -35.3633 -35.3623 -35.3623 -35.3613 -35.3613 -16.6736 -16.6736 -16.6645 -16.6645 -16.6503 -16.6503 -16.3471 -16.3471 -16.3351 -16.3351 -16.3088 -16.3088 -16.2136 -16.2136 -16.1936 -16.1936 -16.1738 -16.1738 -9.9662 -9.9662 -9.9632 -9.9632 -9.8776 -9.8776 -3.2965 -3.2965 0.8341 0.8341 0.9076 0.9076 1.1592 1.1592 1.3510 1.3510 1.5592 1.5592 1.7199 1.7199 1.7733 1.7733 2.2085 2.2085 2.8076 2.8076 4.2303 4.2303 4.3945 4.3945 4.6321 4.6321 8.5174 8.5174 8.9348 8.9348 9.0041 9.0041 9.1569 9.1569 9.1893 9.1893 9.3204 9.3204 k = 0.3704 0.5000-0.0000 ( 8312 PWs) bands (ev): -35.3632 -35.3632 -35.3623 -35.3623 -35.3614 -35.3614 -16.6739 -16.6739 -16.6647 -16.6647 -16.6504 -16.6504 -16.3477 -16.3477 -16.3354 -16.3354 -16.3084 -16.3084 -16.2140 -16.2140 -16.1937 -16.1937 -16.1736 -16.1736 -9.9628 -9.9628 -9.9598 -9.9598 -9.8780 -9.8780 -3.2910 -3.2910 0.8201 0.8201 0.8964 0.8964 1.1511 1.1511 1.3421 1.3421 1.5648 1.5648 1.7152 1.7152 1.7680 1.7680 2.1920 2.1920 2.8196 2.8196 4.2307 4.2307 4.3712 4.3712 4.6153 4.6153 8.6112 8.6112 8.9582 8.9582 9.0332 9.0332 9.1675 9.1675 9.1934 9.1934 9.3792 9.3792 k = 0.3889 0.5000-0.0000 ( 8324 PWs) bands (ev): -35.3630 -35.3630 -35.3623 -35.3623 -35.3615 -35.3615 -16.6743 -16.6743 -16.6650 -16.6650 -16.6504 -16.6504 -16.3482 -16.3482 -16.3356 -16.3356 -16.3081 -16.3081 -16.2144 -16.2144 -16.1937 -16.1937 -16.1733 -16.1733 -9.9598 -9.9598 -9.9568 -9.9568 -9.8784 -9.8784 -3.2861 -3.2861 0.8078 0.8078 0.8862 0.8862 1.1440 1.1440 1.3340 1.3340 1.5700 1.5700 1.7107 1.7107 1.7647 1.7647 2.1766 2.1766 2.8301 2.8301 4.2296 4.2296 4.3518 4.3518 4.6006 4.6006 8.7044 8.7044 8.9785 8.9785 9.0608 9.0608 9.1771 9.1771 9.1969 9.1969 9.4375 9.4376 k = 0.4074 0.5000-0.0000 ( 8324 PWs) bands (ev): -35.3629 -35.3629 -35.3623 -35.3623 -35.3617 -35.3617 -16.6745 -16.6745 -16.6651 -16.6651 -16.6504 -16.6504 -16.3487 -16.3487 -16.3358 -16.3358 -16.3078 -16.3078 -16.2147 -16.2147 -16.1938 -16.1938 -16.1731 -16.1731 -9.9571 -9.9571 -9.9541 -9.9541 -9.8788 -9.8788 -3.2818 -3.2818 0.7971 0.7971 0.8771 0.8771 1.1379 1.1379 1.3267 1.3267 1.5746 1.5746 1.7067 1.7067 1.7628 1.7628 2.1628 2.1628 2.8392 2.8392 4.2272 4.2272 4.3365 4.3365 4.5880 4.5880 8.7961 8.7961 8.9964 8.9964 9.0850 9.0850 9.1856 9.1856 9.1999 9.1999 9.4471 9.4506 k = 0.4259 0.5000-0.0000 ( 8320 PWs) bands (ev): -35.3628 -35.3628 -35.3623 -35.3623 -35.3618 -35.3618 -16.6748 -16.6748 -16.6653 -16.6653 -16.6504 -16.6504 -16.3491 -16.3491 -16.3360 -16.3360 -16.3075 -16.3075 -16.2150 -16.2150 -16.1939 -16.1939 -16.1729 -16.1729 -9.9549 -9.9549 -9.9518 -9.9518 -9.8791 -9.8791 -3.2782 -3.2782 0.7883 0.7883 0.8693 0.8693 1.1327 1.1327 1.3204 1.3204 1.5784 1.5784 1.7034 1.7034 1.7618 1.7618 2.1509 2.1509 2.8467 2.8467 4.2237 4.2237 4.3251 4.3251 4.5776 4.5776 8.8852 8.8852 9.0121 9.0121 9.1047 9.1047 9.1928 9.1928 9.2024 9.2024 9.4378 9.4380 k = 0.4444 0.5000-0.0000 ( 8322 PWs) bands (ev): -35.3627 -35.3627 -35.3623 -35.3623 -35.3619 -35.3619 -16.6749 -16.6749 -16.6654 -16.6654 -16.6504 -16.6504 -16.3493 -16.3493 -16.3361 -16.3361 -16.3073 -16.3073 -16.2152 -16.2152 -16.1939 -16.1939 -16.1728 -16.1728 -9.9531 -9.9531 -9.9500 -9.9500 -9.8794 -9.8794 -3.2753 -3.2753 0.7814 0.7814 0.8631 0.8631 1.1287 1.1287 1.3154 1.3154 1.5815 1.5815 1.7010 1.7010 1.7614 1.7614 2.1412 2.1412 2.8526 2.8526 4.2199 4.2199 4.3172 4.3172 4.5695 4.5695 8.9701 8.9701 9.0253 9.0253 9.1195 9.1195 9.1985 9.1985 9.2044 9.2044 9.4313 9.4348 k = 0.4630 0.5000-0.0000 ( 8330 PWs) bands (ev): -35.3625 -35.3625 -35.3623 -35.3623 -35.3620 -35.3620 -16.6751 -16.6751 -16.6655 -16.6655 -16.6504 -16.6504 -16.3496 -16.3496 -16.3362 -16.3362 -16.3072 -16.3072 -16.2154 -16.2154 -16.1940 -16.1940 -16.1727 -16.1727 -9.9518 -9.9518 -9.9487 -9.9487 -9.8796 -9.8796 -3.2732 -3.2732 0.7765 0.7765 0.8586 0.8586 1.1257 1.1257 1.3118 1.3118 1.5836 1.5836 1.6993 1.6993 1.7613 1.7613 2.1341 2.1341 2.8568 2.8568 4.2165 4.2165 4.3121 4.3121 4.5637 4.5637 9.0355 9.0355 9.0475 9.0475 9.1293 9.1293 9.2025 9.2025 9.2060 9.2060 9.4162 9.4205 k = 0.4815 0.5000-0.0000 ( 8340 PWs) bands (ev): -35.3624 -35.3624 -35.3623 -35.3623 -35.3622 -35.3622 -16.6752 -16.6752 -16.6656 -16.6656 -16.6505 -16.6505 -16.3497 -16.3497 -16.3363 -16.3363 -16.3071 -16.3071 -16.2155 -16.2155 -16.1940 -16.1940 -16.1726 -16.1726 -9.9510 -9.9510 -9.9479 -9.9479 -9.8797 -9.8797 -3.2720 -3.2720 0.7735 0.7735 0.8558 0.8558 1.1239 1.1239 1.3095 1.3095 1.5850 1.5850 1.6983 1.6983 1.7613 1.7613 2.1297 2.1297 2.8594 2.8594 4.2142 4.2142 4.3093 4.3093 4.5602 4.5602 9.0422 9.0422 9.1095 9.1095 9.1349 9.1349 9.2046 9.2046 9.2072 9.2072 9.3723 9.3726 k = 0.5000 0.5000-0.0000 ( 8340 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6752 -16.6752 -16.6656 -16.6656 -16.6505 -16.6505 -16.3497 -16.3497 -16.3363 -16.3363 -16.3071 -16.3071 -16.2155 -16.2155 -16.1940 -16.1940 -16.1726 -16.1726 -9.9508 -9.9508 -9.9476 -9.9476 -9.8798 -9.8798 -3.2715 -3.2715 0.7725 0.7725 0.8549 0.8549 1.1233 1.1233 1.3088 1.3088 1.5854 1.5854 1.6980 1.6980 1.7614 1.7614 2.1282 2.1282 2.8602 2.8602 4.2134 4.2134 4.3084 4.3084 4.5591 4.5591 9.0444 9.0444 9.1345 9.1345 9.1384 9.1384 9.2051 9.2051 9.2076 9.2076 9.3517 9.3519 k = 0.5000 0.5000-0.0000 ( 8340 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6752 -16.6752 -16.6656 -16.6656 -16.6505 -16.6505 -16.3497 -16.3497 -16.3363 -16.3363 -16.3071 -16.3071 -16.2155 -16.2155 -16.1940 -16.1940 -16.1726 -16.1726 -9.9508 -9.9508 -9.9476 -9.9476 -9.8798 -9.8798 -3.2715 -3.2715 0.7725 0.7725 0.8549 0.8549 1.1233 1.1233 1.3088 1.3088 1.5854 1.5854 1.6980 1.6980 1.7614 1.7614 2.1282 2.1282 2.8602 2.8602 4.2134 4.2134 4.3084 4.3084 4.5591 4.5591 9.0444 9.0444 9.1345 9.1345 9.1384 9.1384 9.2051 9.2051 9.2076 9.2076 9.3517 9.3519 k = 0.4868 0.4868-0.0000 ( 8340 PWs) bands (ev): -35.3624 -35.3624 -35.3623 -35.3623 -35.3622 -35.3622 -16.6752 -16.6752 -16.6656 -16.6656 -16.6505 -16.6505 -16.3497 -16.3497 -16.3363 -16.3363 -16.3071 -16.3071 -16.2155 -16.2155 -16.1940 -16.1940 -16.1726 -16.1726 -9.9510 -9.9510 -9.9478 -9.9478 -9.8797 -9.8797 -3.2720 -3.2720 0.7735 0.7735 0.8558 0.8558 1.1239 1.1239 1.3095 1.3095 1.5850 1.5850 1.6983 1.6983 1.7613 1.7613 2.1297 2.1297 2.8594 2.8594 4.2142 4.2142 4.3093 4.3093 4.5603 4.5603 9.0421 9.0421 9.1115 9.1115 9.1325 9.1325 9.2043 9.2043 9.2074 9.2074 9.3720 9.3723 k = 0.4737 0.4737-0.0000 ( 8324 PWs) bands (ev): -35.3626 -35.3626 -35.3623 -35.3623 -35.3620 -35.3620 -16.6751 -16.6751 -16.6655 -16.6655 -16.6504 -16.6504 -16.3496 -16.3496 -16.3362 -16.3362 -16.3072 -16.3072 -16.2154 -16.2154 -16.1939 -16.1939 -16.1727 -16.1727 -9.9521 -9.9521 -9.9483 -9.9483 -9.8796 -9.8796 -3.2732 -3.2732 0.7765 0.7765 0.8586 0.8586 1.1257 1.1257 1.3118 1.3118 1.5836 1.5836 1.6993 1.6993 1.7613 1.7613 2.1341 2.1341 2.8568 2.8568 4.2167 4.2167 4.3121 4.3121 4.5638 4.5638 9.0345 9.0345 9.0550 9.0550 9.1207 9.1207 9.2003 9.2003 9.2082 9.2082 9.4000 9.4026 k = 0.4605 0.4605-0.0000 ( 8328 PWs) bands (ev): -35.3627 -35.3627 -35.3623 -35.3623 -35.3619 -35.3619 -16.6749 -16.6749 -16.6654 -16.6654 -16.6504 -16.6504 -16.3493 -16.3493 -16.3361 -16.3361 -16.3073 -16.3073 -16.2152 -16.2152 -16.1939 -16.1939 -16.1728 -16.1728 -9.9544 -9.9544 -9.9487 -9.9487 -9.8794 -9.8794 -3.2753 -3.2753 0.7815 0.7815 0.8632 0.8632 1.1286 1.1286 1.3155 1.3155 1.5814 1.5814 1.7011 1.7011 1.7615 1.7615 2.1414 2.1414 2.8526 2.8526 4.2207 4.2207 4.3168 4.3168 4.5696 4.5696 8.9856 8.9856 9.0202 9.0202 9.1040 9.1040 9.1931 9.1931 9.2099 9.2099 9.4009 9.4010 k = 0.4474 0.4474-0.0000 ( 8316 PWs) bands (ev): -35.3628 -35.3628 -35.3622 -35.3622 -35.3618 -35.3618 -16.6747 -16.6747 -16.6653 -16.6653 -16.6504 -16.6504 -16.3490 -16.3490 -16.3360 -16.3360 -16.3075 -16.3075 -16.2150 -16.2150 -16.1939 -16.1939 -16.1729 -16.1729 -9.9578 -9.9578 -9.9488 -9.9488 -9.8793 -9.8793 -3.2783 -3.2783 0.7886 0.7886 0.8694 0.8694 1.1326 1.1326 1.3206 1.3206 1.5782 1.5782 1.7039 1.7039 1.7621 1.7621 2.1511 2.1511 2.8468 2.8468 4.2260 4.2260 4.3238 4.3238 4.5778 4.5778 8.9106 8.9106 8.9969 8.9969 9.0858 9.0858 9.1830 9.1830 9.2124 9.2124 9.3939 9.3939 k = 0.4342 0.4342-0.0000 ( 8324 PWs) bands (ev): -35.3630 -35.3630 -35.3622 -35.3622 -35.3617 -35.3617 -16.6745 -16.6745 -16.6652 -16.6652 -16.6504 -16.6504 -16.3487 -16.3487 -16.3358 -16.3358 -16.3078 -16.3078 -16.2147 -16.2147 -16.1938 -16.1938 -16.1731 -16.1731 -9.9622 -9.9622 -9.9488 -9.9488 -9.8793 -9.8793 -3.2820 -3.2820 0.7976 0.7976 0.8772 0.8772 1.1375 1.1375 1.3269 1.3269 1.5742 1.5742 1.7077 1.7077 1.7634 1.7634 2.1631 2.1631 2.8396 2.8396 4.2324 4.2324 4.3334 4.3334 4.5883 4.5883 8.8327 8.8327 8.9632 8.9632 9.0688 9.0688 9.1701 9.1701 9.2155 9.2155 9.3836 9.3966 k = 0.4211 0.4211-0.0000 ( 8326 PWs) bands (ev): -35.3631 -35.3631 -35.3622 -35.3622 -35.3616 -35.3616 -16.6742 -16.6742 -16.6650 -16.6650 -16.6503 -16.6503 -16.3482 -16.3482 -16.3356 -16.3356 -16.3081 -16.3081 -16.2145 -16.2145 -16.1937 -16.1937 -16.1733 -16.1733 -9.9673 -9.9673 -9.9488 -9.9488 -9.8794 -9.8794 -3.2864 -3.2864 0.8085 0.8085 0.8863 0.8863 1.1432 1.1432 1.3341 1.3341 1.5696 1.5696 1.7126 1.7126 1.7657 1.7657 2.1770 2.1770 2.8312 2.8312 4.2397 4.2397 4.3457 4.3457 4.6010 4.6010 8.7532 8.7532 8.9200 8.9200 9.0535 9.0535 9.1548 9.1548 9.2192 9.2192 9.3704 9.3707 k = 0.4079 0.4079-0.0000 ( 8318 PWs) bands (ev): -35.3633 -35.3633 -35.3621 -35.3621 -35.3615 -35.3615 -16.6739 -16.6739 -16.6648 -16.6648 -16.6503 -16.6503 -16.3477 -16.3477 -16.3353 -16.3353 -16.3084 -16.3084 -16.2141 -16.2141 -16.1936 -16.1936 -16.1735 -16.1735 -9.9732 -9.9732 -9.9487 -9.9487 -9.8796 -9.8796 -3.2916 -3.2916 0.8211 0.8211 0.8966 0.8966 1.1496 1.1496 1.3421 1.3421 1.5647 1.5647 1.7186 1.7186 1.7695 1.7695 2.1926 2.1926 2.8216 2.8216 4.2478 4.2478 4.3612 4.3612 4.6160 4.6160 8.6728 8.6728 8.8692 8.8692 9.0391 9.0391 9.1370 9.1370 9.2234 9.2234 9.2826 9.2826 k = 0.3947 0.3947-0.0000 ( 8318 PWs) bands (ev): -35.3634 -35.3634 -35.3621 -35.3621 -35.3614 -35.3614 -16.6736 -16.6736 -16.6646 -16.6646 -16.6502 -16.6502 -16.3471 -16.3471 -16.3350 -16.3350 -16.3088 -16.3088 -16.2137 -16.2137 -16.1935 -16.1935 -16.1738 -16.1738 -9.9796 -9.9796 -9.9486 -9.9486 -9.8802 -9.8802 -3.2974 -3.2974 0.8355 0.8355 0.9079 0.9079 1.1565 1.1565 1.3503 1.3503 1.5600 1.5600 1.7254 1.7254 1.7753 1.7753 2.2094 2.2094 2.8112 2.8112 4.2567 4.2567 4.3798 4.3798 4.6331 4.6331 8.5919 8.5919 8.8126 8.8126 9.0250 9.0250 9.1171 9.1171 9.1900 9.1900 9.2282 9.2282 k = 0.3816 0.3816-0.0000 ( 8332 PWs) bands (ev): -35.3636 -35.3636 -35.3620 -35.3620 -35.3613 -35.3613 -16.6732 -16.6732 -16.6644 -16.6644 -16.6501 -16.6501 -16.3465 -16.3465 -16.3347 -16.3347 -16.3092 -16.3092 -16.2134 -16.2134 -16.1933 -16.1933 -16.1740 -16.1740 -9.9867 -9.9867 -9.9485 -9.9485 -9.8809 -9.8809 -3.3038 -3.3038 0.8514 0.8514 0.9199 0.9199 1.1638 1.1638 1.3583 1.3583 1.5560 1.5560 1.7325 1.7325 1.7838 1.7838 2.2274 2.2274 2.8001 2.8001 4.2666 4.2666 4.4015 4.4015 4.6523 4.6523 8.5108 8.5108 8.7514 8.7514 9.0109 9.0109 9.0926 9.0926 9.0972 9.0972 9.2332 9.2332 k = 0.3684 0.3684-0.0000 ( 8326 PWs) bands (ev): -35.3637 -35.3637 -35.3620 -35.3620 -35.3612 -35.3612 -16.6728 -16.6728 -16.6642 -16.6642 -16.6500 -16.6500 -16.3457 -16.3457 -16.3344 -16.3344 -16.3097 -16.3097 -16.2129 -16.2129 -16.1931 -16.1931 -16.1743 -16.1743 -9.9941 -9.9941 -9.9484 -9.9484 -9.8820 -9.8820 -3.3107 -3.3107 0.8684 0.8684 0.9325 0.9325 1.1714 1.1714 1.3656 1.3656 1.5534 1.5534 1.7395 1.7395 1.7956 1.7956 2.2462 2.2462 2.7885 2.7885 4.2777 4.2777 4.4263 4.4263 4.6736 4.6736 8.4300 8.4300 8.6865 8.6865 8.9944 8.9944 8.9998 8.9998 9.0716 9.0716 9.2386 9.2386 k = 0.3553 0.3553-0.0000 ( 8322 PWs) bands (ev): -35.3639 -35.3639 -35.3619 -35.3619 -35.3611 -35.3611 -16.6724 -16.6724 -16.6639 -16.6639 -16.6498 -16.6498 -16.3450 -16.3450 -16.3340 -16.3340 -16.3101 -16.3101 -16.2125 -16.2125 -16.1929 -16.1929 -16.1746 -16.1746 -10.0020 -10.0020 -9.9482 -9.9482 -9.8833 -9.8833 -3.3181 -3.3181 0.8865 0.8865 0.9456 0.9456 1.1790 1.1790 1.3719 1.3719 1.5527 1.5527 1.7462 1.7462 1.8109 1.8109 2.2656 2.2656 2.7768 2.7768 4.2904 4.2904 4.4540 4.4540 4.6968 4.6968 8.3498 8.3498 8.6187 8.6187 8.8992 8.8992 8.9829 8.9829 9.0460 9.0460 9.2443 9.2443 k = 0.3421 0.3421-0.0000 ( 8332 PWs) bands (ev): -35.3641 -35.3641 -35.3618 -35.3618 -35.3611 -35.3611 -16.6720 -16.6720 -16.6637 -16.6637 -16.6496 -16.6496 -16.3441 -16.3441 -16.3336 -16.3336 -16.3107 -16.3107 -16.2121 -16.2121 -16.1926 -16.1926 -16.1749 -16.1749 -10.0102 -10.0102 -9.9481 -9.9481 -9.8849 -9.8849 -3.3259 -3.3259 0.9051 0.9051 0.9588 0.9588 1.1866 1.1866 1.3770 1.3770 1.5542 1.5542 1.7526 1.7526 1.8299 1.8299 2.2856 2.2856 2.7651 2.7651 4.3050 4.3050 4.4845 4.4845 4.7219 4.7219 8.2703 8.2703 8.5484 8.5484 8.8011 8.8011 8.9686 8.9686 9.0190 9.0190 9.2499 9.2500 k = 0.3289 0.3289-0.0000 ( 8336 PWs) bands (ev): -35.3642 -35.3642 -35.3617 -35.3617 -35.3610 -35.3610 -16.6715 -16.6715 -16.6635 -16.6635 -16.6494 -16.6494 -16.3433 -16.3433 -16.3332 -16.3332 -16.3112 -16.3112 -16.2118 -16.2118 -16.1923 -16.1923 -16.1751 -16.1751 -10.0186 -10.0186 -9.9479 -9.9479 -9.8867 -9.8867 -3.3341 -3.3341 0.9239 0.9239 0.9722 0.9722 1.1938 1.1938 1.3813 1.3813 1.5580 1.5580 1.7588 1.7588 1.8523 1.8523 2.3058 2.3058 2.7536 2.7536 4.3217 4.3217 4.5175 4.5175 4.7488 4.7488 8.1918 8.1918 8.4762 8.4762 8.7032 8.7032 8.9541 8.9541 8.9908 8.9908 9.2379 9.2535 k = 0.3158 0.3158-0.0000 ( 8312 PWs) bands (ev): -35.3644 -35.3644 -35.3617 -35.3617 -35.3609 -35.3609 -16.6711 -16.6711 -16.6633 -16.6633 -16.6491 -16.6491 -16.3423 -16.3423 -16.3327 -16.3327 -16.3118 -16.3118 -16.2114 -16.2114 -16.1919 -16.1919 -16.1754 -16.1754 -10.0273 -10.0273 -9.9477 -9.9477 -9.8889 -9.8889 -3.3426 -3.3426 0.9423 0.9423 0.9856 0.9856 1.2003 1.2003 1.3853 1.3853 1.5640 1.5640 1.7650 1.7650 1.8778 1.8778 2.3262 2.3262 2.7427 2.7427 4.3409 4.3409 4.5529 4.5529 4.7774 4.7774 8.1145 8.1145 8.4026 8.4026 8.6061 8.6061 8.9378 8.9378 8.9631 8.9631 9.2154 9.2156 k = 0.3026 0.3026-0.0000 ( 8316 PWs) bands (ev): -35.3645 -35.3645 -35.3616 -35.3616 -35.3608 -35.3608 -16.6707 -16.6707 -16.6631 -16.6631 -16.6487 -16.6487 -16.3414 -16.3414 -16.3323 -16.3323 -16.3124 -16.3124 -16.2111 -16.2111 -16.1915 -16.1915 -16.1756 -16.1756 -10.0361 -10.0361 -9.9476 -9.9476 -9.8912 -9.8912 -3.3512 -3.3512 0.9600 0.9600 0.9987 0.9987 1.2056 1.2056 1.3902 1.3902 1.5717 1.5717 1.7715 1.7715 1.9059 1.9059 2.3468 2.3468 2.7324 2.7324 4.3629 4.3629 4.5905 4.5905 4.8076 4.8076 8.0387 8.0387 8.3277 8.3277 8.5100 8.5100 8.9149 8.9149 8.9409 8.9409 9.1926 9.1926 k = 0.2895 0.2895-0.0000 ( 8330 PWs) bands (ev): -35.3647 -35.3647 -35.3615 -35.3615 -35.3608 -35.3608 -16.6702 -16.6702 -16.6630 -16.6630 -16.6483 -16.6483 -16.3404 -16.3404 -16.3318 -16.3318 -16.3131 -16.3131 -16.2109 -16.2109 -16.1910 -16.1910 -16.1758 -16.1758 -10.0450 -10.0450 -9.9474 -9.9474 -9.8937 -9.8937 -3.3601 -3.3601 0.9765 0.9765 1.0114 1.0114 1.2093 1.2093 1.3971 1.3971 1.5808 1.5808 1.7783 1.7783 1.9365 1.9365 2.3673 2.3673 2.7230 2.7230 4.3879 4.3879 4.6300 4.6300 4.8393 4.8393 7.9645 7.9645 8.2520 8.2520 8.4154 8.4154 8.8836 8.8836 8.9257 8.9257 9.1696 9.1696 k = 0.2763 0.2763-0.0000 ( 8326 PWs) bands (ev): -35.3648 -35.3648 -35.3614 -35.3614 -35.3607 -35.3607 -16.6698 -16.6698 -16.6629 -16.6629 -16.6479 -16.6479 -16.3394 -16.3394 -16.3313 -16.3313 -16.3137 -16.3137 -16.2108 -16.2108 -16.1904 -16.1904 -16.1760 -16.1760 -10.0540 -10.0540 -9.9472 -9.9472 -9.8965 -9.8965 -3.3689 -3.3689 0.9915 0.9915 1.0236 1.0236 1.2110 1.2110 1.4068 1.4068 1.5909 1.5909 1.7855 1.7855 1.9689 1.9689 2.3878 2.3878 2.7147 2.7147 4.4162 4.4162 4.6715 4.6715 4.8724 4.8724 7.8921 7.8921 8.1759 8.1759 8.3224 8.3224 8.8480 8.8480 8.9138 8.9138 9.1467 9.1467 k = 0.2632 0.2632-0.0000 ( 8324 PWs) bands (ev): -35.3650 -35.3650 -35.3613 -35.3613 -35.3607 -35.3607 -16.6694 -16.6694 -16.6629 -16.6629 -16.6474 -16.6474 -16.3384 -16.3384 -16.3308 -16.3308 -16.3143 -16.3143 -16.2107 -16.2107 -16.1897 -16.1897 -16.1762 -16.1762 -10.0630 -10.0630 -9.9470 -9.9470 -9.8994 -9.8994 -3.3778 -3.3778 1.0048 1.0048 1.0349 1.0349 1.2106 1.2106 1.4200 1.4200 1.6016 1.6016 1.7931 1.7931 2.0027 2.0027 2.4081 2.4081 2.7076 2.7076 4.4480 4.4480 4.7145 4.7145 4.9068 4.9068 7.8217 7.8217 8.0997 8.0997 8.2312 8.2312 8.8095 8.8095 8.9036 8.9036 9.1240 9.1240 k = 0.2500 0.2500-0.0000 ( 8322 PWs) bands (ev): -35.3651 -35.3651 -35.3612 -35.3612 -35.3606 -35.3606 -16.6690 -16.6690 -16.6629 -16.6629 -16.6469 -16.6469 -16.3374 -16.3374 -16.3303 -16.3303 -16.3149 -16.3149 -16.2106 -16.2106 -16.1890 -16.1890 -16.1764 -16.1764 -10.0719 -10.0719 -9.9468 -9.9468 -9.9024 -9.9024 -3.3867 -3.3867 1.0164 1.0164 1.0451 1.0451 1.2082 1.2082 1.4368 1.4368 1.6129 1.6129 1.8012 1.8012 2.0375 2.0375 2.4283 2.4283 2.7019 2.7019 4.4833 4.4833 4.7589 4.7589 4.9423 4.9423 7.7536 7.7536 8.0236 8.0236 8.1420 8.1420 8.7683 8.7683 8.8945 8.8945 9.1016 9.1016 k = 0.2368 0.2368-0.0000 ( 8326 PWs) bands (ev): -35.3653 -35.3653 -35.3611 -35.3611 -35.3606 -35.3606 -16.6686 -16.6686 -16.6629 -16.6629 -16.6463 -16.6463 -16.3364 -16.3364 -16.3298 -16.3298 -16.3155 -16.3155 -16.2107 -16.2107 -16.1882 -16.1882 -16.1765 -16.1765 -10.0807 -10.0807 -9.9466 -9.9466 -9.9055 -9.9055 -3.3955 -3.3955 1.0263 1.0263 1.0539 1.0539 1.2041 1.2041 1.4568 1.4568 1.6245 1.6245 1.8098 1.8098 2.0727 2.0727 2.4483 2.4483 2.6975 2.6975 4.5222 4.5222 4.8044 4.8044 4.9789 4.9789 7.6878 7.6878 7.9479 7.9479 8.0549 8.0549 8.7245 8.7245 8.8867 8.8867 9.0797 9.0797 k = 0.2237 0.2237-0.0000 ( 8316 PWs) bands (ev): -35.3654 -35.3654 -35.3611 -35.3611 -35.3605 -35.3605 -16.6682 -16.6682 -16.6629 -16.6629 -16.6457 -16.6457 -16.3354 -16.3354 -16.3293 -16.3293 -16.3161 -16.3161 -16.2108 -16.2108 -16.1873 -16.1873 -16.1766 -16.1766 -10.0893 -10.0893 -9.9464 -9.9464 -9.9086 -9.9086 -3.4041 -3.4041 1.0347 1.0347 1.0611 1.0611 1.1988 1.1988 1.4795 1.4795 1.6363 1.6363 1.8190 1.8190 2.1078 2.1078 2.4682 2.4682 2.6946 2.6946 4.5647 4.5647 4.8509 4.8509 5.0164 5.0164 7.6245 7.6245 7.8730 7.8730 7.9701 7.9701 8.6778 8.6778 8.8799 8.8799 9.0583 9.0583 k = 0.2105 0.2105-0.0000 ( 8312 PWs) bands (ev): -35.3656 -35.3656 -35.3610 -35.3610 -35.3605 -35.3605 -16.6679 -16.6679 -16.6630 -16.6630 -16.6451 -16.6451 -16.3344 -16.3344 -16.3288 -16.3288 -16.3167 -16.3167 -16.2109 -16.2109 -16.1865 -16.1865 -16.1766 -16.1766 -10.0977 -10.0977 -9.9462 -9.9462 -9.9118 -9.9118 -3.4124 -3.4124 1.0417 1.0417 1.0667 1.0667 1.1928 1.1928 1.5042 1.5042 1.6482 1.6482 1.8286 1.8286 2.1423 2.1423 2.4881 2.4881 2.6931 2.6931 4.6108 4.6108 4.8981 4.8981 5.0547 5.0547 7.5639 7.5639 7.7991 7.7991 7.8877 7.8877 8.6281 8.6281 8.8742 8.8742 9.0377 9.0377 k = 0.1974 0.1974-0.0000 ( 8326 PWs) bands (ev): -35.3657 -35.3657 -35.3609 -35.3609 -35.3604 -35.3604 -16.6675 -16.6675 -16.6631 -16.6631 -16.6445 -16.6445 -16.3335 -16.3335 -16.3284 -16.3284 -16.3172 -16.3172 -16.2111 -16.2111 -16.1856 -16.1856 -16.1767 -16.1767 -10.1059 -10.1059 -9.9460 -9.9460 -9.9150 -9.9150 -3.4206 -3.4206 1.0473 1.0473 1.0707 1.0707 1.1865 1.1865 1.5302 1.5302 1.6602 1.6602 1.8386 1.8386 2.1757 2.1757 2.5080 2.5080 2.6931 2.6931 4.6603 4.6603 4.9457 4.9457 5.0936 5.0936 7.5061 7.5061 7.7265 7.7265 7.8078 7.8078 8.5752 8.5752 8.8694 8.8694 9.0179 9.0179 k = 0.1842 0.1842-0.0000 ( 8316 PWs) bands (ev): -35.3658 -35.3658 -35.3608 -35.3608 -35.3604 -35.3604 -16.6672 -16.6672 -16.6633 -16.6633 -16.6439 -16.6439 -16.3327 -16.3327 -16.3280 -16.3280 -16.3176 -16.3176 -16.2113 -16.2113 -16.1847 -16.1847 -16.1767 -16.1767 -10.1138 -10.1138 -9.9458 -9.9458 -9.9182 -9.9182 -3.4284 -3.4284 1.0518 1.0518 1.0732 1.0732 1.1802 1.1802 1.5568 1.5568 1.6721 1.6721 1.8492 1.8492 2.2075 2.2075 2.5280 2.5280 2.6943 2.6943 4.7128 4.7128 4.9934 4.9934 5.1330 5.1330 7.4513 7.4513 7.6556 7.6556 7.7306 7.7306 8.5190 8.5190 8.8656 8.8656 8.9989 8.9989 k = 0.1711 0.1711-0.0000 ( 8328 PWs) bands (ev): -35.3659 -35.3659 -35.3607 -35.3607 -35.3604 -35.3604 -16.6669 -16.6669 -16.6634 -16.6634 -16.6433 -16.6433 -16.3319 -16.3319 -16.3276 -16.3276 -16.3180 -16.3180 -16.2116 -16.2116 -16.1838 -16.1838 -16.1768 -16.1768 -10.1213 -10.1213 -9.9456 -9.9456 -9.9213 -9.9213 -3.4358 -3.4358 1.0551 1.0551 1.0744 1.0744 1.1741 1.1741 1.5835 1.5835 1.6839 1.6839 1.8601 1.8601 2.2373 2.2373 2.5482 2.5482 2.6967 2.6967 4.7680 4.7680 5.0410 5.0410 5.1726 5.1726 7.3997 7.3997 7.5867 7.5867 7.6560 7.6560 8.4594 8.4594 8.8626 8.8626 8.9810 8.9810 k = 0.1579 0.1579-0.0000 ( 8340 PWs) bands (ev): -35.3660 -35.3660 -35.3606 -35.3606 -35.3603 -35.3603 -16.6666 -16.6666 -16.6636 -16.6636 -16.6427 -16.6427 -16.3311 -16.3311 -16.3273 -16.3273 -16.3184 -16.3184 -16.2119 -16.2119 -16.1829 -16.1829 -16.1768 -16.1768 -10.1285 -10.1285 -9.9454 -9.9454 -9.9243 -9.9243 -3.4429 -3.4429 1.0573 1.0573 1.0744 1.0744 1.1685 1.1685 1.6095 1.6095 1.6953 1.6953 1.8715 1.8715 2.2648 2.2648 2.5686 2.5686 2.7001 2.7001 4.8253 4.8253 5.0884 5.0884 5.2121 5.2121 7.3512 7.3512 7.5201 7.5201 7.5843 7.5843 8.3968 8.3968 8.8605 8.8605 8.9641 8.9641 k = 0.1447 0.1447-0.0000 ( 8348 PWs) bands (ev): -35.3662 -35.3662 -35.3606 -35.3606 -35.3603 -35.3603 -16.6664 -16.6664 -16.6638 -16.6638 -16.6421 -16.6421 -16.3304 -16.3304 -16.3270 -16.3270 -16.3186 -16.3186 -16.2122 -16.2122 -16.1820 -16.1820 -16.1768 -16.1768 -10.1352 -10.1352 -9.9453 -9.9453 -9.9272 -9.9272 -3.4495 -3.4495 1.0587 1.0587 1.0734 1.0734 1.1635 1.1635 1.6345 1.6345 1.7064 1.7064 1.8830 1.8830 2.2897 2.2897 2.5893 2.5893 2.7042 2.7042 4.8839 4.8839 5.1352 5.1352 5.2513 5.2513 7.3062 7.3062 7.4561 7.4561 7.5155 7.5155 8.3314 8.3314 8.8590 8.8590 8.9483 8.9483 k = 0.1316 0.1316-0.0000 ( 8326 PWs) bands (ev): -35.3663 -35.3663 -35.3605 -35.3605 -35.3603 -35.3603 -16.6661 -16.6661 -16.6639 -16.6639 -16.6416 -16.6416 -16.3298 -16.3298 -16.3268 -16.3268 -16.3187 -16.3187 -16.2124 -16.2124 -16.1811 -16.1811 -16.1767 -16.1767 -10.1415 -10.1415 -9.9451 -9.9451 -9.9299 -9.9299 -3.4556 -3.4556 1.0593 1.0593 1.0716 1.0716 1.1591 1.1591 1.6579 1.6579 1.7169 1.7169 1.8948 1.8948 2.3118 2.3118 2.6101 2.6101 2.7090 2.7090 4.9429 4.9429 5.1815 5.1815 5.2898 5.2898 7.2646 7.2646 7.3953 7.3953 7.4498 7.4498 8.2642 8.2642 8.8582 8.8582 8.9337 8.9337 k = 0.1184 0.1184-0.0000 ( 8324 PWs) bands (ev): -35.3663 -35.3663 -35.3604 -35.3604 -35.3603 -35.3603 -16.6659 -16.6659 -16.6641 -16.6641 -16.6410 -16.6410 -16.3292 -16.3292 -16.3266 -16.3266 -16.3188 -16.3188 -16.2127 -16.2127 -16.1803 -16.1803 -16.1767 -16.1767 -10.1473 -10.1473 -9.9450 -9.9450 -9.9325 -9.9325 -3.4613 -3.4613 1.0592 1.0592 1.0693 1.0693 1.1553 1.1553 1.6796 1.6796 1.7268 1.7268 1.9065 1.9065 2.3312 2.3312 2.6307 2.6307 2.7140 2.7140 5.0012 5.0012 5.2272 5.2272 5.3271 5.3271 7.2267 7.2267 7.3380 7.3380 7.3875 7.3875 8.1962 8.1962 8.8579 8.8579 8.9203 8.9203 k = 0.1053 0.1053-0.0000 ( 8323 PWs) bands (ev): -35.3664 -35.3664 -35.3604 -35.3604 -35.3602 -35.3602 -16.6657 -16.6657 -16.6642 -16.6642 -16.6406 -16.6406 -16.3287 -16.3287 -16.3266 -16.3266 -16.3188 -16.3188 -16.2129 -16.2129 -16.1796 -16.1796 -16.1767 -16.1767 -10.1525 -10.1525 -9.9448 -9.9448 -9.9348 -9.9348 -3.4664 -3.4664 1.0587 1.0587 1.0666 1.0666 1.1520 1.1520 1.6991 1.6991 1.7359 1.7359 1.9180 1.9180 2.3480 2.3480 2.6509 2.6509 2.7192 2.7192 5.0573 5.0573 5.2723 5.2723 5.3628 5.3628 7.1925 7.1925 7.2846 7.2846 7.3288 7.3288 8.1288 8.1288 8.8579 8.8579 8.9083 8.9084 k = 0.0921 0.0921-0.0000 ( 8325 PWs) bands (ev): -35.3665 -35.3665 -35.3603 -35.3603 -35.3602 -35.3602 -16.6655 -16.6655 -16.6644 -16.6644 -16.6402 -16.6402 -16.3283 -16.3283 -16.3266 -16.3266 -16.3187 -16.3187 -16.2132 -16.2132 -16.1789 -16.1789 -16.1767 -16.1767 -10.1572 -10.1572 -9.9447 -9.9447 -9.9370 -9.9370 -3.4710 -3.4710 1.0577 1.0577 1.0639 1.0639 1.1494 1.1494 1.7164 1.7164 1.7442 1.7442 1.9291 1.9291 2.3622 2.3622 2.6701 2.6701 2.7243 2.7243 5.1098 5.1098 5.3167 5.3167 5.3963 5.3963 7.1620 7.1620 7.2357 7.2357 7.2740 7.2740 8.0636 8.0636 8.8582 8.8582 8.8975 8.8976 k = 0.0789 0.0789-0.0000 ( 8317 PWs) bands (ev): -35.3666 -35.3666 -35.3603 -35.3603 -35.3602 -35.3602 -16.6653 -16.6653 -16.6645 -16.6645 -16.6398 -16.6398 -16.3279 -16.3279 -16.3266 -16.3266 -16.3186 -16.3186 -16.2134 -16.2134 -16.1783 -16.1783 -16.1766 -16.1766 -10.1614 -10.1614 -9.9446 -9.9446 -9.9388 -9.9388 -3.4750 -3.4750 1.0566 1.0566 1.0611 1.0611 1.1472 1.1472 1.7314 1.7314 1.7515 1.7515 1.9395 1.9395 2.3740 2.3740 2.6880 2.6880 2.7290 2.7290 5.1572 5.1572 5.3602 5.3602 5.4269 5.4269 7.1355 7.1355 7.1917 7.1917 7.2235 7.2235 8.0023 8.0023 8.8587 8.8587 8.8882 8.8884 k = 0.0658 0.0658-0.0000 ( 8317 PWs) bands (ev): -35.3666 -35.3666 -35.3603 -35.3603 -35.3602 -35.3602 -16.6652 -16.6652 -16.6646 -16.6646 -16.6395 -16.6395 -16.3276 -16.3276 -16.3266 -16.3266 -16.3185 -16.3185 -16.2136 -16.2136 -16.1778 -16.1778 -16.1766 -16.1766 -10.1649 -10.1649 -9.9445 -9.9445 -9.9405 -9.9405 -3.4785 -3.4785 1.0555 1.0555 1.0585 1.0585 1.1454 1.1454 1.7441 1.7441 1.7578 1.7578 1.9488 1.9488 2.3837 2.3837 2.7041 2.7041 2.7333 2.7333 5.1981 5.1981 5.4018 5.4018 5.4542 5.4542 7.1129 7.1129 7.1533 7.1533 7.1781 7.1781 7.9467 7.9467 8.8593 8.8595 8.8815 8.8979 k = 0.0526 0.0526-0.0000 ( 8319 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6651 -16.6651 -16.6647 -16.6647 -16.6392 -16.6392 -16.3273 -16.3273 -16.3267 -16.3267 -16.3183 -16.3183 -16.2137 -16.2137 -16.1773 -16.1773 -16.1766 -16.1766 -10.1678 -10.1678 -9.9444 -9.9444 -9.9418 -9.9418 -3.4813 -3.4813 1.0543 1.0543 1.0563 1.0563 1.1440 1.1440 1.7544 1.7544 1.7630 1.7630 1.9569 1.9569 2.3914 2.3914 2.7180 2.7180 2.7371 2.7371 5.2320 5.2320 5.4402 5.4402 5.4775 5.4775 7.0943 7.0943 7.1209 7.1209 7.1385 7.1385 7.8986 7.8986 8.8598 8.8600 8.8760 8.8859 k = 0.0395 0.0395-0.0000 ( 8327 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6650 -16.6650 -16.6648 -16.6648 -16.6390 -16.6390 -16.3271 -16.3271 -16.3268 -16.3268 -16.3182 -16.3182 -16.2139 -16.2139 -16.1770 -16.1770 -16.1766 -16.1766 -10.1701 -10.1701 -9.9444 -9.9444 -9.9429 -9.9429 -3.4835 -3.4835 1.0533 1.0533 1.0544 1.0544 1.1429 1.1429 1.7623 1.7623 1.7671 1.7671 1.9634 1.9634 2.3972 2.3972 2.7291 2.7291 2.7401 2.7401 5.2583 5.2583 5.4734 5.4734 5.4962 5.4962 7.0798 7.0798 7.0951 7.0951 7.1059 7.1059 7.8594 7.8594 8.8602 8.8622 8.8694 8.8730 k = 0.0263 0.0263-0.0000 ( 8337 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6650 -16.6650 -16.6649 -16.6649 -16.6388 -16.6388 -16.3270 -16.3270 -16.3268 -16.3268 -16.3182 -16.3182 -16.2140 -16.2140 -16.1768 -16.1768 -16.1766 -16.1766 -10.1718 -10.1718 -9.9443 -9.9443 -9.9437 -9.9437 -3.4851 -3.4851 1.0526 1.0526 1.0531 1.0531 1.1422 1.1422 1.7680 1.7680 1.7701 1.7701 1.9682 1.9682 2.4013 2.4013 2.7374 2.7374 2.7423 2.7423 5.2770 5.2770 5.4992 5.4992 5.5100 5.5100 7.0693 7.0693 7.0763 7.0763 7.0814 7.0814 7.8305 7.8305 8.8602 8.8612 8.8650 8.8696 k = 0.0132 0.0132-0.0000 ( 8337 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6649 -16.6649 -16.6649 -16.6649 -16.6387 -16.6387 -16.3269 -16.3269 -16.3268 -16.3268 -16.3181 -16.3181 -16.2140 -16.2140 -16.1766 -16.1766 -16.1766 -16.1766 -10.1727 -10.1727 -9.9443 -9.9443 -9.9441 -9.9441 -3.4860 -3.4860 1.0521 1.0521 1.0522 1.0522 1.1417 1.1417 1.7714 1.7714 1.7719 1.7719 1.9712 1.9712 2.4037 2.4037 2.7424 2.7424 2.7436 2.7436 5.2882 5.2882 5.5156 5.5156 5.5184 5.5184 7.0631 7.0631 7.0649 7.0649 7.0662 7.0662 7.8127 7.8127 8.8600 8.8609 8.8612 8.8648 k = 0.0000 0.0000 0.0000 ( 8289 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6649 -16.6649 -16.6649 -16.6649 -16.6387 -16.6387 -16.3268 -16.3268 -16.3268 -16.3268 -16.3180 -16.3180 -16.2140 -16.2140 -16.1765 -16.1765 -16.1765 -16.1765 -10.1731 -10.1731 -9.9443 -9.9443 -9.9443 -9.9443 -3.4864 -3.4864 1.0520 1.0520 1.0520 1.0520 1.1416 1.1416 1.7725 1.7725 1.7725 1.7725 1.9722 1.9722 2.4045 2.4045 2.7441 2.7441 2.7441 2.7441 5.2920 5.2920 5.5212 5.5212 5.5212 5.5212 7.0607 7.0607 7.0612 7.0612 7.0612 7.0612 7.8067 7.8067 8.8597 8.8597 8.8611 8.8622 k = 0.0000 0.0000 0.0000 ( 8289 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6649 -16.6649 -16.6649 -16.6649 -16.6387 -16.6387 -16.3268 -16.3268 -16.3268 -16.3268 -16.3180 -16.3180 -16.2140 -16.2140 -16.1765 -16.1765 -16.1765 -16.1765 -10.1731 -10.1731 -9.9443 -9.9443 -9.9443 -9.9443 -3.4864 -3.4864 1.0520 1.0520 1.0520 1.0520 1.1416 1.1416 1.7725 1.7725 1.7725 1.7725 1.9722 1.9722 2.4045 2.4045 2.7441 2.7441 2.7441 2.7441 5.2920 5.2920 5.5212 5.5212 5.5212 5.5212 7.0607 7.0607 7.0612 7.0612 7.0612 7.0612 7.8067 7.8067 8.8597 8.8597 8.8611 8.8648 k = 0.0106 0.0106 0.0106 ( 8331 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6649 -16.6649 -16.6649 -16.6649 -16.6387 -16.6387 -16.3269 -16.3269 -16.3268 -16.3268 -16.3181 -16.3181 -16.2140 -16.2140 -16.1766 -16.1766 -16.1766 -16.1766 -10.1728 -10.1728 -9.9442 -9.9442 -9.9442 -9.9442 -3.4860 -3.4860 1.0521 1.0521 1.0522 1.0522 1.1417 1.1417 1.7714 1.7714 1.7718 1.7718 1.9712 1.9712 2.4037 2.4037 2.7424 2.7424 2.7437 2.7437 5.2883 5.2883 5.5158 5.5158 5.5184 5.5184 7.0638 7.0638 7.0643 7.0643 7.0658 7.0658 7.8126 7.8126 8.8603 8.8608 8.8611 8.8644 k = 0.0213 0.0213 0.0213 ( 8331 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6649 -16.6649 -16.6649 -16.6649 -16.6388 -16.6388 -16.3270 -16.3270 -16.3268 -16.3268 -16.3182 -16.3182 -16.2140 -16.2140 -16.1768 -16.1768 -16.1766 -16.1766 -10.1718 -10.1718 -9.9440 -9.9440 -9.9440 -9.9440 -3.4851 -3.4851 1.0527 1.0527 1.0530 1.0530 1.1422 1.1422 1.7684 1.7684 1.7698 1.7698 1.9683 1.9683 2.4013 2.4013 2.7373 2.7373 2.7425 2.7425 5.2773 5.2773 5.4999 5.4999 5.5098 5.5098 7.0729 7.0729 7.0735 7.0735 7.0798 7.0798 7.8301 7.8301 8.8619 8.8627 8.8658 8.8677 k = 0.0319 0.0319 0.0319 ( 8319 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6650 -16.6650 -16.6648 -16.6648 -16.6390 -16.6390 -16.3271 -16.3271 -16.3267 -16.3267 -16.3182 -16.3182 -16.2139 -16.2139 -16.1770 -16.1770 -16.1766 -16.1766 -10.1702 -10.1702 -9.9437 -9.9437 -9.9436 -9.9436 -3.4835 -3.4835 1.0535 1.0535 1.0542 1.0542 1.1429 1.1429 1.7633 1.7633 1.7665 1.7665 1.9636 1.9636 2.3973 2.3973 2.7290 2.7290 2.7406 2.7406 5.2590 5.2590 5.4749 5.4749 5.4959 5.4959 7.0877 7.0877 7.0887 7.0887 7.1022 7.1022 7.8588 7.8588 8.8641 8.8645 8.8704 8.8748 k = 0.0426 0.0426 0.0426 ( 8313 PWs) bands (ev): -35.3667 -35.3667 -35.3602 -35.3602 -35.3602 -35.3602 -16.6651 -16.6651 -16.6647 -16.6647 -16.6392 -16.6392 -16.3274 -16.3274 -16.3266 -16.3266 -16.3183 -16.3183 -16.2137 -16.2137 -16.1774 -16.1774 -16.1766 -16.1766 -10.1679 -10.1679 -9.9432 -9.9432 -9.9431 -9.9431 -3.4814 -3.4814 1.0546 1.0546 1.0558 1.0558 1.1438 1.1438 1.7563 1.7563 1.7617 1.7617 1.9571 1.9571 2.3914 2.3914 2.7179 2.7179 2.7379 2.7379 5.2334 5.2334 5.4426 5.4426 5.4769 5.4769 7.1081 7.1081 7.1095 7.1095 7.1320 7.1320 7.8982 7.8982 8.8671 8.8675 8.8788 8.8802 k = 0.0532 0.0532 0.0532 ( 8307 PWs) bands (ev): -35.3666 -35.3666 -35.3602 -35.3602 -35.3602 -35.3602 -16.6652 -16.6652 -16.6646 -16.6646 -16.6394 -16.6394 -16.3277 -16.3277 -16.3265 -16.3265 -16.3184 -16.3184 -16.2136 -16.2136 -16.1778 -16.1778 -16.1766 -16.1766 -10.1650 -10.1650 -9.9425 -9.9425 -9.9425 -9.9425 -3.4786 -3.4786 1.0560 1.0560 1.0578 1.0578 1.1450 1.1450 1.7474 1.7474 1.7553 1.7553 1.9491 1.9491 2.3836 2.3836 2.7042 2.7042 2.7346 2.7346 5.2005 5.2005 5.4050 5.4050 5.4534 5.4534 7.1337 7.1337 7.1356 7.1356 7.1679 7.1679 7.9472 7.9472 8.8714 8.8717 8.8886 8.8909 k = 0.0638 0.0638 0.0638 ( 8313 PWs) bands (ev): -35.3666 -35.3666 -35.3602 -35.3602 -35.3602 -35.3602 -16.6653 -16.6653 -16.6645 -16.6645 -16.6398 -16.6398 -16.3281 -16.3281 -16.3264 -16.3264 -16.3186 -16.3186 -16.2134 -16.2134 -16.1783 -16.1783 -16.1766 -16.1766 -10.1616 -10.1616 -9.9418 -9.9418 -9.9417 -9.9417 -3.4751 -3.4751 1.0574 1.0574 1.0601 1.0601 1.1464 1.1464 1.7368 1.7368 1.7473 1.7473 1.9399 1.9399 2.3734 2.3734 2.6885 2.6885 2.7308 2.7308 5.1605 5.1605 5.3641 5.3641 5.4259 5.4259 7.1643 7.1643 7.1666 7.1666 7.2088 7.2088 8.0046 8.0046 8.8771 8.8772 8.9012 8.9030 k = 0.0745 0.0745 0.0745 ( 8313 PWs) bands (ev): -35.3665 -35.3665 -35.3603 -35.3603 -35.3603 -35.3603 -16.6654 -16.6654 -16.6644 -16.6644 -16.6401 -16.6401 -16.3286 -16.3286 -16.3262 -16.3262 -16.3187 -16.3187 -16.2132 -16.2132 -16.1789 -16.1789 -16.1766 -16.1766 -10.1575 -10.1575 -9.9409 -9.9409 -9.9407 -9.9407 -3.4711 -3.4711 1.0588 1.0588 1.0624 1.0624 1.1480 1.1480 1.7247 1.7247 1.7374 1.7374 1.9297 1.9297 2.3607 2.3607 2.6715 2.6715 2.7264 2.7264 5.1142 5.1142 5.3216 5.3216 5.3949 5.3949 7.1993 7.1993 7.2020 7.2020 7.2539 7.2539 8.0691 8.0691 8.8850 8.8851 8.9147 8.9169 k = 0.0851 0.0851 0.0851 ( 8313 PWs) bands (ev): -35.3664 -35.3664 -35.3603 -35.3603 -35.3603 -35.3603 -16.6656 -16.6656 -16.6643 -16.6643 -16.6405 -16.6405 -16.3292 -16.3292 -16.3260 -16.3260 -16.3188 -16.3188 -16.2130 -16.2130 -16.1796 -16.1796 -16.1766 -16.1766 -10.1528 -10.1528 -9.9399 -9.9399 -9.9397 -9.9397 -3.4665 -3.4665 1.0601 1.0601 1.0648 1.0648 1.1497 1.1497 1.7112 1.7112 1.7256 1.7256 1.9188 1.9188 2.3449 2.3449 2.6538 2.6538 2.7217 2.7217 5.0623 5.0623 5.2786 5.2786 5.3610 5.3610 7.2384 7.2384 7.2416 7.2416 7.3024 7.3024 8.1388 8.1388 8.8957 8.8957 8.9308 8.9315 k = 0.0957 0.0957 0.0957 ( 8316 PWs) bands (ev): -35.3664 -35.3664 -35.3603 -35.3603 -35.3603 -35.3603 -16.6658 -16.6658 -16.6642 -16.6642 -16.6410 -16.6410 -16.3300 -16.3300 -16.3258 -16.3258 -16.3188 -16.3188 -16.2128 -16.2128 -16.1803 -16.1803 -16.1766 -16.1766 -10.1476 -10.1476 -9.9388 -9.9388 -9.9385 -9.9385 -3.4613 -3.4613 1.0611 1.0611 1.0668 1.0668 1.1515 1.1515 1.6967 1.6967 1.7117 1.7117 1.9075 1.9075 2.3258 2.3258 2.6362 2.6362 2.7167 2.7167 5.0063 5.0063 5.2355 5.2355 5.3248 5.3248 7.2814 7.2814 7.2848 7.2848 7.3539 7.3539 8.2118 8.2118 8.9100 8.9100 8.9482 8.9498 k = 0.1064 0.1064 0.1064 ( 8328 PWs) bands (ev): -35.3663 -35.3663 -35.3604 -35.3604 -35.3604 -35.3604 -16.6661 -16.6661 -16.6640 -16.6640 -16.6415 -16.6415 -16.3309 -16.3309 -16.3255 -16.3255 -16.3189 -16.3189 -16.2126 -16.2126 -16.1811 -16.1811 -16.1766 -16.1766 -10.1418 -10.1418 -9.9375 -9.9375 -9.9372 -9.9372 -3.4554 -3.4554 1.0617 1.0617 1.0685 1.0685 1.1533 1.1533 1.6814 1.6814 1.6958 1.6958 1.8961 1.8961 2.3029 2.3029 2.6195 2.6195 2.7115 2.7115 4.9474 4.9474 5.1926 5.1926 5.2868 5.2868 7.3278 7.3278 7.3315 7.3315 7.4079 7.4079 8.2858 8.2858 8.9293 8.9293 8.9675 8.9683 k = 0.1170 0.1170 0.1170 ( 8328 PWs) bands (ev): -35.3662 -35.3662 -35.3604 -35.3604 -35.3604 -35.3604 -16.6663 -16.6663 -16.6639 -16.6639 -16.6420 -16.6420 -16.3319 -16.3319 -16.3253 -16.3253 -16.3188 -16.3188 -16.2123 -16.2123 -16.1819 -16.1819 -16.1766 -16.1766 -10.1355 -10.1355 -9.9362 -9.9362 -9.9357 -9.9357 -3.4490 -3.4490 1.0616 1.0616 1.0694 1.0694 1.1550 1.1550 1.6656 1.6656 1.6777 1.6777 1.8850 1.8850 2.2760 2.2760 2.6041 2.6041 2.7062 2.7062 4.8870 4.8870 5.1500 5.1500 5.2474 5.2474 7.3775 7.3775 7.3813 7.3813 7.4643 7.4643 8.3583 8.3583 8.9548 8.9549 8.9886 8.9895 k = 0.1277 0.1277 0.1277 ( 8322 PWs) bands (ev): -35.3661 -35.3661 -35.3605 -35.3605 -35.3605 -35.3605 -16.6666 -16.6666 -16.6638 -16.6638 -16.6426 -16.6426 -16.3330 -16.3330 -16.3250 -16.3250 -16.3188 -16.3188 -16.2121 -16.2121 -16.1827 -16.1827 -16.1766 -16.1766 -10.1288 -10.1288 -9.9347 -9.9347 -9.9342 -9.9342 -3.4421 -3.4421 1.0606 1.0606 1.0693 1.0693 1.1565 1.1565 1.6497 1.6497 1.6578 1.6578 1.8741 1.8741 2.2452 2.2452 2.5906 2.5906 2.7009 2.7009 4.8263 4.8263 5.1077 5.1077 5.2071 5.2071 7.4300 7.4300 7.4339 7.4339 7.5227 7.5227 8.4267 8.4267 8.9882 8.9882 9.0113 9.0137 k = 0.1383 0.1383 0.1383 ( 8319 PWs) bands (ev): -35.3660 -35.3660 -35.3605 -35.3605 -35.3605 -35.3605 -16.6669 -16.6669 -16.6637 -16.6637 -16.6431 -16.6431 -16.3343 -16.3343 -16.3246 -16.3246 -16.3187 -16.3187 -16.2120 -16.2120 -16.1835 -16.1835 -16.1766 -16.1766 -10.1215 -10.1215 -9.9331 -9.9331 -9.9325 -9.9325 -3.4345 -3.4345 1.0587 1.0587 1.0678 1.0678 1.1576 1.1576 1.6342 1.6342 1.6362 1.6362 1.8637 1.8637 2.2106 2.2106 2.5792 2.5792 2.6958 2.6958 4.7662 4.7662 5.0658 5.0658 5.1663 5.1663 7.4852 7.4852 7.4891 7.4891 7.5831 7.5831 8.4885 8.4885 9.0277 9.0283 9.0353 9.0413 k = 0.1489 0.1489 0.1489 ( 8307 PWs) bands (ev): -35.3658 -35.3658 -35.3606 -35.3606 -35.3606 -35.3606 -16.6672 -16.6672 -16.6636 -16.6636 -16.6437 -16.6437 -16.3356 -16.3356 -16.3243 -16.3243 -16.3185 -16.3185 -16.2119 -16.2119 -16.1842 -16.1842 -16.1766 -16.1766 -10.1139 -10.1139 -9.9314 -9.9314 -9.9308 -9.9308 -3.4265 -3.4265 1.0556 1.0556 1.0647 1.0647 1.1581 1.1581 1.6133 1.6133 1.6195 1.6195 1.8536 1.8536 2.1725 2.1725 2.5698 2.5698 2.6909 2.6909 4.7077 4.7077 5.0245 5.0245 5.1252 5.1252 7.5428 7.5428 7.5467 7.5467 7.6451 7.6451 8.5422 8.5422 9.0596 9.0598 9.0607 9.0622 k = 0.1596 0.1596 0.1596 ( 8310 PWs) bands (ev): -35.3657 -35.3657 -35.3606 -35.3606 -35.3606 -35.3606 -16.6676 -16.6676 -16.6636 -16.6636 -16.6442 -16.6442 -16.3370 -16.3370 -16.3239 -16.3239 -16.3184 -16.3184 -16.2119 -16.2119 -16.1849 -16.1849 -16.1765 -16.1765 -10.1058 -10.1058 -9.9297 -9.9297 -9.9290 -9.9290 -3.4179 -3.4179 1.0511 1.0511 1.0595 1.0595 1.1579 1.1579 1.5894 1.5894 1.6059 1.6059 1.8441 1.8441 2.1315 2.1315 2.5626 2.5626 2.6862 2.6862 4.6512 4.6512 4.9837 4.9837 5.0842 5.0842 7.6027 7.6027 7.6065 7.6065 7.7086 7.7086 8.5874 8.5874 9.0875 9.0875 9.0876 9.0877 k = 0.1702 0.1702 0.1702 ( 8310 PWs) bands (ev): -35.3656 -35.3656 -35.3607 -35.3607 -35.3607 -35.3607 -16.6679 -16.6679 -16.6637 -16.6637 -16.6448 -16.6448 -16.3385 -16.3385 -16.3235 -16.3235 -16.3182 -16.3182 -16.2119 -16.2119 -16.1855 -16.1855 -16.1765 -16.1765 -10.0974 -10.0974 -9.9279 -9.9279 -9.9270 -9.9270 -3.4087 -3.4087 1.0451 1.0451 1.0519 1.0519 1.1564 1.1564 1.5651 1.5651 1.5940 1.5940 1.8349 1.8349 2.0880 2.0880 2.5572 2.5572 2.6820 2.6820 4.5975 4.5975 4.9438 4.9438 5.0435 5.0435 7.6646 7.6646 7.6683 7.6683 7.7735 7.7735 8.6252 8.6252 9.1158 9.1158 9.1161 9.1161 k = 0.1809 0.1809 0.1809 ( 8334 PWs) bands (ev): -35.3654 -35.3654 -35.3608 -35.3608 -35.3608 -35.3608 -16.6684 -16.6684 -16.6638 -16.6638 -16.6453 -16.6453 -16.3401 -16.3401 -16.3231 -16.3231 -16.3180 -16.3180 -16.2121 -16.2121 -16.1861 -16.1861 -16.1764 -16.1764 -10.0887 -10.0887 -9.9260 -9.9260 -9.9250 -9.9250 -3.3991 -3.3991 1.0375 1.0375 1.0418 1.0418 1.1536 1.1536 1.5407 1.5407 1.5840 1.5840 1.8260 1.8260 2.0428 2.0428 2.5537 2.5537 2.6783 2.6783 4.5469 4.5469 4.9046 4.9046 5.0034 5.0034 7.7284 7.7284 7.7320 7.7320 7.8394 7.8394 8.6572 8.6572 9.1452 9.1452 9.1457 9.1457 k = 0.1915 0.1915 0.1915 ( 8343 PWs) bands (ev): -35.3653 -35.3653 -35.3608 -35.3608 -35.3608 -35.3608 -16.6688 -16.6688 -16.6640 -16.6640 -16.6458 -16.6458 -16.3418 -16.3418 -16.3227 -16.3227 -16.3178 -16.3178 -16.2125 -16.2125 -16.1864 -16.1864 -16.1764 -16.1764 -10.0797 -10.0797 -9.9240 -9.9240 -9.9230 -9.9230 -3.3891 -3.3891 1.0280 1.0280 1.0289 1.0289 1.1489 1.1489 1.5168 1.5168 1.5763 1.5763 1.8175 1.8175 1.9965 1.9965 2.5519 2.5519 2.6751 2.6751 4.4998 4.4998 4.8664 4.8664 4.9640 4.9640 7.7939 7.7939 7.7973 7.7973 7.9061 7.9061 8.6851 8.6851 9.1757 9.1757 9.1764 9.1764 k = 0.2021 0.2021 0.2021 ( 8334 PWs) bands (ev): -35.3652 -35.3652 -35.3609 -35.3609 -35.3609 -35.3609 -16.6693 -16.6693 -16.6642 -16.6642 -16.6462 -16.6462 -16.3435 -16.3435 -16.3223 -16.3223 -16.3175 -16.3175 -16.2129 -16.2129 -16.1867 -16.1867 -16.1763 -16.1763 -10.0704 -10.0704 -9.9220 -9.9220 -9.9209 -9.9209 -3.3786 -3.3786 1.0133 1.0133 1.0167 1.0167 1.1422 1.1422 1.4936 1.4936 1.5708 1.5708 1.8092 1.8092 1.9496 1.9496 2.5516 2.5516 2.6726 2.6726 4.4565 4.4565 4.8294 4.8294 4.9255 4.9255 7.8609 7.8609 7.8641 7.8641 7.9735 7.9735 8.7105 8.7105 9.2072 9.2072 9.2081 9.2081 k = 0.2128 0.2128 0.2128 ( 8343 PWs) bands (ev): -35.3650 -35.3650 -35.3610 -35.3610 -35.3610 -35.3610 -16.6698 -16.6698 -16.6645 -16.6645 -16.6466 -16.6466 -16.3453 -16.3453 -16.3218 -16.3218 -16.3173 -16.3173 -16.2135 -16.2135 -16.1868 -16.1868 -16.1762 -16.1762 -10.0609 -10.0609 -9.9199 -9.9199 -9.9187 -9.9187 -3.3676 -3.3676 0.9950 0.9950 1.0033 1.0033 1.1333 1.1333 1.4713 1.4713 1.5677 1.5677 1.8011 1.8011 1.9028 1.9028 2.5529 2.5529 2.6707 2.6707 4.4171 4.4171 4.7935 4.7935 4.8881 4.8881 7.9293 7.9293 7.9323 7.9323 8.0411 8.0411 8.7347 8.7347 9.2395 9.2395 9.2406 9.2406 k = 0.2234 0.2234 0.2234 ( 8328 PWs) bands (ev): -35.3649 -35.3649 -35.3610 -35.3610 -35.3610 -35.3610 -16.6702 -16.6702 -16.6649 -16.6649 -16.6469 -16.6469 -16.3471 -16.3471 -16.3214 -16.3214 -16.3170 -16.3170 -16.2142 -16.2142 -16.1867 -16.1867 -16.1761 -16.1761 -10.0513 -10.0513 -9.9178 -9.9178 -9.9165 -9.9165 -3.3563 -3.3563 0.9742 0.9742 0.9878 0.9878 1.1219 1.1219 1.4499 1.4499 1.5668 1.5668 1.7931 1.7931 1.8570 1.8570 2.5556 2.5556 2.6696 2.6696 4.3818 4.3818 4.7588 4.7588 4.8519 4.8519 7.9988 7.9988 8.0017 8.0017 8.1089 8.1089 8.7587 8.7587 9.2725 9.2725 9.2738 9.2738 k = 0.2340 0.2340 0.2340 ( 8334 PWs) bands (ev): -35.3647 -35.3647 -35.3611 -35.3611 -35.3611 -35.3611 -16.6708 -16.6708 -16.6654 -16.6654 -16.6472 -16.6472 -16.3489 -16.3489 -16.3209 -16.3209 -16.3167 -16.3167 -16.2150 -16.2150 -16.1865 -16.1865 -16.1760 -16.1760 -10.0416 -10.0416 -9.9156 -9.9156 -9.9142 -9.9142 -3.3447 -3.3447 0.9512 0.9512 0.9702 0.9702 1.1081 1.1081 1.4292 1.4292 1.5679 1.5679 1.7848 1.7848 1.8133 1.8133 2.5597 2.5597 2.6693 2.6693 4.3506 4.3506 4.7256 4.7256 4.8169 4.8169 8.0693 8.0693 8.0719 8.0719 8.1765 8.1765 8.7833 8.7833 9.3061 9.3061 9.3077 9.3077 k = 0.2447 0.2447 0.2447 ( 8310 PWs) bands (ev): -35.3646 -35.3646 -35.3612 -35.3612 -35.3612 -35.3612 -16.6713 -16.6713 -16.6660 -16.6660 -16.6473 -16.6473 -16.3507 -16.3507 -16.3204 -16.3204 -16.3165 -16.3165 -16.2160 -16.2160 -16.1862 -16.1862 -16.1759 -16.1759 -10.0317 -10.0317 -9.9135 -9.9135 -9.9120 -9.9120 -3.3327 -3.3327 0.9264 0.9264 0.9505 0.9505 1.0921 1.0921 1.4087 1.4087 1.5707 1.5707 1.7670 1.7670 1.7816 1.7816 2.5651 2.5651 2.6698 2.6698 4.3236 4.3236 4.6937 4.6937 4.7833 4.7833 8.1405 8.1405 8.1429 8.1429 8.2435 8.2435 8.8091 8.8091 9.3402 9.3402 9.3420 9.3421 k = 0.2553 0.2553 0.2553 ( 8310 PWs) bands (ev): -35.3644 -35.3644 -35.3612 -35.3612 -35.3612 -35.3612 -16.6718 -16.6718 -16.6667 -16.6667 -16.6474 -16.6474 -16.3526 -16.3526 -16.3199 -16.3199 -16.3162 -16.3162 -16.2170 -16.2170 -16.1857 -16.1857 -16.1758 -16.1758 -10.0219 -10.0219 -9.9113 -9.9113 -9.9097 -9.9097 -3.3205 -3.3205 0.9000 0.9000 0.9288 0.9288 1.0741 1.0741 1.3877 1.3877 1.5750 1.5750 1.7301 1.7301 1.7723 1.7723 2.5717 2.5717 2.6712 2.6712 4.3006 4.3006 4.6633 4.6633 4.7512 4.7512 8.2123 8.2123 8.2144 8.2144 8.3095 8.3095 8.8366 8.8366 9.3745 9.3745 9.3767 9.3767 k = 0.2660 0.2660 0.2660 ( 8306 PWs) bands (ev): -35.3643 -35.3643 -35.3613 -35.3613 -35.3613 -35.3613 -16.6724 -16.6724 -16.6674 -16.6674 -16.6475 -16.6475 -16.3544 -16.3544 -16.3194 -16.3194 -16.3159 -16.3159 -16.2181 -16.2181 -16.1852 -16.1852 -16.1756 -16.1756 -10.0120 -10.0120 -9.9092 -9.9092 -9.9074 -9.9074 -3.3081 -3.3081 0.8725 0.8725 0.9052 0.9052 1.0544 1.0544 1.3657 1.3657 1.5804 1.5804 1.6954 1.6954 1.7649 1.7649 2.5796 2.5796 2.6734 2.6734 4.2817 4.2817 4.6344 4.6344 4.7205 4.7205 8.2843 8.2843 8.2861 8.2861 8.3744 8.3744 8.8662 8.8662 9.4090 9.4090 9.4114 9.4114 k = 0.2766 0.2766 0.2766 ( 8300 PWs) bands (ev): -35.3641 -35.3641 -35.3614 -35.3614 -35.3614 -35.3614 -16.6730 -16.6730 -16.6682 -16.6682 -16.6475 -16.6475 -16.3562 -16.3562 -16.3189 -16.3189 -16.3156 -16.3156 -16.2193 -16.2193 -16.1845 -16.1845 -16.1755 -16.1755 -10.0022 -10.0022 -9.9070 -9.9070 -9.9051 -9.9051 -3.2955 -3.2955 0.8442 0.8442 0.8801 0.8801 1.0331 1.0331 1.3420 1.3420 1.5867 1.5867 1.6648 1.6648 1.7579 1.7579 2.5887 2.5887 2.6766 2.6766 4.2665 4.2665 4.6071 4.6071 4.6914 4.6914 8.3562 8.3562 8.3578 8.3578 8.4376 8.4376 8.8984 8.8984 9.4435 9.4435 9.4462 9.4462 k = 0.2872 0.2872 0.2872 ( 8312 PWs) bands (ev): -35.3640 -35.3640 -35.3615 -35.3615 -35.3615 -35.3615 -16.6736 -16.6736 -16.6690 -16.6690 -16.6475 -16.6475 -16.3581 -16.3581 -16.3184 -16.3184 -16.3154 -16.3154 -16.2205 -16.2205 -16.1839 -16.1839 -16.1753 -16.1753 -9.9925 -9.9925 -9.9049 -9.9049 -9.9029 -9.9029 -3.2828 -3.2828 0.8155 0.8155 0.8537 0.8537 1.0106 1.0106 1.3164 1.3164 1.5936 1.5936 1.6389 1.6389 1.7512 1.7512 2.5988 2.5988 2.6806 2.6806 4.2549 4.2549 4.5813 4.5813 4.6638 4.6638 8.4279 8.4279 8.4292 8.4292 8.4990 8.4990 8.9332 8.9332 9.4779 9.4779 9.4809 9.4809 k = 0.2979 0.2979 0.2979 ( 8306 PWs) bands (ev): -35.3638 -35.3638 -35.3615 -35.3615 -35.3615 -35.3615 -16.6741 -16.6741 -16.6699 -16.6699 -16.6474 -16.6474 -16.3599 -16.3599 -16.3179 -16.3179 -16.3151 -16.3151 -16.2217 -16.2217 -16.1831 -16.1831 -16.1752 -16.1752 -9.9830 -9.9830 -9.9027 -9.9027 -9.9007 -9.9007 -3.2700 -3.2700 0.7866 0.7866 0.8262 0.8262 0.9871 0.9871 1.2890 1.2890 1.6008 1.6008 1.6174 1.6174 1.7447 1.7447 2.6099 2.6099 2.6855 2.6855 4.2468 4.2468 4.5572 4.5572 4.6378 4.6378 8.4989 8.4989 8.4999 8.4999 8.5582 8.5582 8.9710 8.9710 9.5121 9.5121 9.5154 9.5154 k = 0.3085 0.3085 0.3085 ( 8306 PWs) bands (ev): -35.3637 -35.3637 -35.3616 -35.3616 -35.3616 -35.3616 -16.6747 -16.6747 -16.6708 -16.6708 -16.6473 -16.6473 -16.3616 -16.3616 -16.3174 -16.3174 -16.3148 -16.3148 -16.2229 -16.2229 -16.1824 -16.1824 -16.1750 -16.1750 -9.9736 -9.9736 -9.9007 -9.9007 -9.8985 -9.8985 -3.2572 -3.2572 0.7579 0.7579 0.7981 0.7981 0.9626 0.9626 1.2603 1.2603 1.6000 1.6000 1.6083 1.6083 1.7385 1.7385 2.6218 2.6218 2.6912 2.6912 4.2417 4.2417 4.5348 4.5348 4.6134 4.6134 8.5690 8.5690 8.5696 8.5696 8.6152 8.6152 9.0116 9.0116 9.5459 9.5459 9.5495 9.5495 k = 0.3191 0.3191 0.3191 ( 8315 PWs) bands (ev): -35.3636 -35.3636 -35.3617 -35.3617 -35.3617 -35.3617 -16.6753 -16.6753 -16.6717 -16.6717 -16.6472 -16.6472 -16.3634 -16.3634 -16.3170 -16.3170 -16.3146 -16.3146 -16.2241 -16.2241 -16.1816 -16.1816 -16.1748 -16.1748 -9.9645 -9.9645 -9.8987 -9.8987 -9.8964 -9.8964 -3.2445 -3.2445 0.7295 0.7295 0.7696 0.7696 0.9373 0.9373 1.2309 1.2309 1.5861 1.5861 1.6156 1.6156 1.7325 1.7325 2.6345 2.6345 2.6976 2.6976 4.2394 4.2394 4.5140 4.5140 4.5905 4.5905 8.6376 8.6376 8.6380 8.6380 8.6699 8.6699 9.0548 9.0548 9.5792 9.5792 9.5830 9.5830 k = 0.3298 0.3298 0.3298 ( 8312 PWs) bands (ev): -35.3634 -35.3634 -35.3617 -35.3617 -35.3617 -35.3617 -16.6759 -16.6759 -16.6726 -16.6726 -16.6471 -16.6471 -16.3650 -16.3650 -16.3165 -16.3165 -16.3144 -16.3144 -16.2253 -16.2253 -16.1808 -16.1808 -16.1746 -16.1746 -9.9556 -9.9556 -9.8967 -9.8967 -9.8943 -9.8943 -3.2320 -3.2320 0.7018 0.7018 0.7410 0.7410 0.9115 0.9115 1.2016 1.2016 1.5750 1.5750 1.6229 1.6229 1.7268 1.7268 2.6479 2.6479 2.7048 2.7048 4.2395 4.2395 4.4950 4.4950 4.5693 4.5693 8.7043 8.7043 8.7046 8.7046 8.7226 8.7226 9.1003 9.1003 9.6119 9.6119 9.6160 9.6160 k = 0.3404 0.3404 0.3404 ( 8312 PWs) bands (ev): -35.3633 -35.3633 -35.3618 -35.3618 -35.3618 -35.3618 -16.6764 -16.6764 -16.6735 -16.6735 -16.6469 -16.6469 -16.3667 -16.3667 -16.3160 -16.3160 -16.3141 -16.3141 -16.2265 -16.2265 -16.1800 -16.1800 -16.1745 -16.1745 -9.9471 -9.9471 -9.8948 -9.8948 -9.8923 -9.8923 -3.2196 -3.2196 0.6749 0.6749 0.7126 0.7126 0.8853 0.8853 1.1729 1.1729 1.5661 1.5661 1.6298 1.6298 1.7214 1.7214 2.6617 2.6617 2.7125 2.7125 4.2416 4.2416 4.4777 4.4777 4.5496 4.5496 8.7673 8.7673 8.7690 8.7690 8.7750 8.7750 9.1477 9.1477 9.6440 9.6440 9.6482 9.6482 k = 0.3511 0.3511 0.3511 ( 8306 PWs) bands (ev): -35.3632 -35.3632 -35.3618 -35.3618 -35.3618 -35.3618 -16.6770 -16.6770 -16.6744 -16.6744 -16.6467 -16.6467 -16.3682 -16.3682 -16.3156 -16.3156 -16.3139 -16.3139 -16.2276 -16.2276 -16.1792 -16.1792 -16.1743 -16.1743 -9.9389 -9.9389 -9.8930 -9.8930 -9.8904 -9.8904 -3.2076 -3.2076 0.6489 0.6489 0.6847 0.6847 0.8591 0.8591 1.1454 1.1454 1.5588 1.5588 1.6364 1.6364 1.7162 1.7162 2.6758 2.6758 2.7207 2.7207 4.2454 4.2454 4.4622 4.4622 4.5315 4.5315 8.8197 8.8197 8.8307 8.8307 8.8336 8.8336 9.1963 9.1963 9.6754 9.6754 9.6797 9.6797 k = 0.3617 0.3617 0.3617 ( 8306 PWs) bands (ev): -35.3631 -35.3631 -35.3619 -35.3619 -35.3619 -35.3619 -16.6775 -16.6775 -16.6752 -16.6752 -16.6466 -16.6466 -16.3697 -16.3697 -16.3152 -16.3152 -16.3137 -16.3137 -16.2287 -16.2287 -16.1784 -16.1784 -16.1741 -16.1741 -9.9310 -9.9310 -9.8912 -9.8912 -9.8886 -9.8886 -3.1959 -3.1959 0.6242 0.6242 0.6575 0.6575 0.8330 0.8330 1.1193 1.1193 1.5529 1.5529 1.6426 1.6426 1.7113 1.7113 2.6900 2.6900 2.7292 2.7292 4.2504 4.2504 4.4486 4.4486 4.5149 4.5149 8.8673 8.8673 8.8894 8.8894 8.8924 8.8924 9.2454 9.2454 9.7059 9.7059 9.7102 9.7102 k = 0.3723 0.3723 0.3723 ( 8306 PWs) bands (ev): -35.3629 -35.3629 -35.3619 -35.3619 -35.3619 -35.3619 -16.6781 -16.6781 -16.6760 -16.6760 -16.6464 -16.6464 -16.3711 -16.3711 -16.3148 -16.3148 -16.3135 -16.3135 -16.2297 -16.2297 -16.1776 -16.1776 -16.1739 -16.1739 -9.9236 -9.9236 -9.8896 -9.8896 -9.8868 -9.8868 -3.1846 -3.1846 0.6007 0.6007 0.6312 0.6312 0.8075 0.8075 1.0950 1.0950 1.5480 1.5480 1.6483 1.6483 1.7067 1.7067 2.7041 2.7041 2.7379 2.7379 4.2560 4.2560 4.4370 4.4370 4.4997 4.4997 8.9131 8.9131 8.9446 8.9446 8.9482 8.9482 9.2946 9.2946 9.7354 9.7354 9.7396 9.7396 k = 0.3830 0.3830 0.3830 ( 8306 PWs) bands (ev): -35.3628 -35.3628 -35.3620 -35.3620 -35.3620 -35.3620 -16.6785 -16.6785 -16.6768 -16.6768 -16.6463 -16.6463 -16.3724 -16.3724 -16.3144 -16.3144 -16.3133 -16.3133 -16.2306 -16.2306 -16.1769 -16.1769 -16.1737 -16.1737 -9.9167 -9.9167 -9.8880 -9.8880 -9.8852 -9.8852 -3.1739 -3.1739 0.5787 0.5787 0.6061 0.6061 0.7829 0.7829 1.0725 1.0725 1.5439 1.5439 1.6535 1.6535 1.7024 1.7024 2.7181 2.7181 2.7467 2.7467 4.2620 4.2620 4.4274 4.4274 4.4860 4.4860 8.9576 8.9576 8.9958 8.9958 9.0002 9.0002 9.3433 9.3433 9.7639 9.7639 9.7677 9.7677 k = 0.3936 0.3936 0.3936 ( 8300 PWs) bands (ev): -35.3627 -35.3627 -35.3620 -35.3620 -35.3620 -35.3620 -16.6790 -16.6790 -16.6776 -16.6776 -16.6462 -16.6462 -16.3736 -16.3736 -16.3141 -16.3141 -16.3131 -16.3131 -16.2315 -16.2315 -16.1762 -16.1762 -16.1736 -16.1736 -9.9103 -9.9103 -9.8866 -9.8866 -9.8837 -9.8837 -3.1637 -3.1637 0.5582 0.5582 0.5822 0.5822 0.7594 0.7594 1.0520 1.0520 1.5404 1.5404 1.6581 1.6581 1.6985 1.6985 2.7315 2.7315 2.7554 2.7554 4.2678 4.2678 4.4200 4.4200 4.4737 4.4737 9.0007 9.0007 9.0428 9.0428 9.0480 9.0480 9.3911 9.3911 9.7911 9.7911 9.7941 9.7941 k = 0.4043 0.4043 0.4043 ( 8306 PWs) bands (ev): -35.3627 -35.3627 -35.3621 -35.3621 -35.3621 -35.3621 -16.6794 -16.6794 -16.6783 -16.6783 -16.6460 -16.6460 -16.3747 -16.3747 -16.3137 -16.3137 -16.3130 -16.3130 -16.2323 -16.2323 -16.1756 -16.1756 -16.1734 -16.1734 -9.9044 -9.9044 -9.8853 -9.8853 -9.8822 -9.8822 -3.1542 -3.1542 0.5394 0.5394 0.5599 0.5599 0.7374 0.7374 1.0334 1.0334 1.5374 1.5374 1.6623 1.6623 1.6948 1.6948 2.7444 2.7444 2.7639 2.7639 4.2729 4.2729 4.4147 4.4147 4.4628 4.4628 9.0423 9.0423 9.0851 9.0851 9.0912 9.0912 9.4375 9.4375 9.8163 9.8168 9.8184 9.8228 k = 0.4149 0.4149 0.4149 ( 8303 PWs) bands (ev): -35.3626 -35.3626 -35.3621 -35.3621 -35.3621 -35.3621 -16.6798 -16.6798 -16.6789 -16.6789 -16.6459 -16.6459 -16.3757 -16.3757 -16.3134 -16.3134 -16.3128 -16.3128 -16.2330 -16.2330 -16.1750 -16.1750 -16.1733 -16.1733 -9.8990 -9.8990 -9.8841 -9.8841 -9.8809 -9.8809 -3.1455 -3.1455 0.5223 0.5223 0.5394 0.5394 0.7172 0.7172 1.0168 1.0168 1.5348 1.5348 1.6659 1.6659 1.6916 1.6916 2.7565 2.7565 2.7720 2.7720 4.2771 4.2771 4.4114 4.4114 4.4532 4.4532 9.0819 9.0819 9.1226 9.1226 9.1296 9.1296 9.4824 9.4824 9.8054 9.8054 9.8426 9.8442 k = 0.4255 0.4255 0.4255 ( 8306 PWs) bands (ev): -35.3625 -35.3625 -35.3621 -35.3621 -35.3621 -35.3621 -16.6802 -16.6802 -16.6794 -16.6794 -16.6458 -16.6458 -16.3766 -16.3766 -16.3132 -16.3132 -16.3127 -16.3127 -16.2337 -16.2337 -16.1745 -16.1745 -16.1731 -16.1731 -9.8943 -9.8943 -9.8830 -9.8830 -9.8797 -9.8797 -3.1377 -3.1377 0.5071 0.5071 0.5207 0.5207 0.6989 0.6989 1.0022 1.0022 1.5326 1.5326 1.6691 1.6691 1.6886 1.6886 2.7676 2.7676 2.7795 2.7795 4.2803 4.2803 4.4101 4.4101 4.4448 4.4448 9.1192 9.1192 9.1552 9.1552 9.1631 9.1631 9.5257 9.5257 9.7809 9.7809 9.8634 9.8659 k = 0.4362 0.4362 0.4362 ( 8300 PWs) bands (ev): -35.3624 -35.3624 -35.3622 -35.3622 -35.3622 -35.3622 -16.6805 -16.6805 -16.6799 -16.6799 -16.6457 -16.6457 -16.3774 -16.3774 -16.3129 -16.3129 -16.3126 -16.3126 -16.2343 -16.2343 -16.1740 -16.1740 -16.1730 -16.1730 -9.8902 -9.8902 -9.8820 -9.8820 -9.8787 -9.8787 -3.1307 -3.1307 0.4937 0.4937 0.5041 0.5041 0.6827 0.6827 0.9896 0.9896 1.5307 1.5307 1.6718 1.6718 1.6861 1.6861 2.7775 2.7775 2.7864 2.7864 4.2824 4.2824 4.4103 4.4103 4.4377 4.4377 9.1533 9.1533 9.1828 9.1828 9.1917 9.1917 9.5672 9.5672 9.7584 9.7584 9.8827 9.8840 k = 0.4468 0.4468 0.4468 ( 8288 PWs) bands (ev): -35.3624 -35.3624 -35.3622 -35.3622 -35.3622 -35.3622 -16.6807 -16.6807 -16.6803 -16.6803 -16.6456 -16.6456 -16.3781 -16.3781 -16.3127 -16.3127 -16.3125 -16.3125 -16.2347 -16.2347 -16.1736 -16.1736 -16.1729 -16.1729 -9.8867 -9.8867 -9.8812 -9.8812 -9.8777 -9.8777 -3.1247 -3.1247 0.4823 0.4823 0.4898 0.4898 0.6688 0.6688 0.9789 0.9789 1.5291 1.5291 1.6740 1.6740 1.6839 1.6839 2.7862 2.7862 2.7924 2.7924 4.2837 4.2837 4.4115 4.4115 4.4318 4.4318 9.1836 9.1836 9.2056 9.2056 9.2155 9.2155 9.6070 9.6070 9.7393 9.7393 9.8993 9.8999 k = 0.4574 0.4574 0.4574 ( 8309 PWs) bands (ev): -35.3623 -35.3623 -35.3622 -35.3622 -35.3622 -35.3622 -16.6810 -16.6810 -16.6807 -16.6807 -16.6456 -16.6456 -16.3787 -16.3787 -16.3126 -16.3126 -16.3125 -16.3125 -16.2352 -16.2352 -16.1733 -16.1733 -16.1728 -16.1728 -9.8839 -9.8839 -9.8806 -9.8806 -9.8768 -9.8768 -3.1197 -3.1197 0.4730 0.4730 0.4779 0.4779 0.6574 0.6574 0.9702 0.9702 1.5278 1.5278 1.6758 1.6758 1.6821 1.6821 2.7935 2.7935 2.7975 2.7975 4.2843 4.2843 4.4134 4.4134 4.4269 4.4269 9.2092 9.2092 9.2238 9.2238 9.2346 9.2346 9.6446 9.6446 9.7239 9.7239 9.9123 9.9126 k = 0.4681 0.4681 0.4681 ( 8288 PWs) bands (ev): -35.3623 -35.3623 -35.3622 -35.3622 -35.3622 -35.3622 -16.6811 -16.6811 -16.6810 -16.6810 -16.6455 -16.6455 -16.3791 -16.3791 -16.3125 -16.3125 -16.3124 -16.3124 -16.2355 -16.2355 -16.1730 -16.1730 -16.1727 -16.1727 -9.8818 -9.8818 -9.8801 -9.8801 -9.8760 -9.8760 -3.1157 -3.1157 0.4656 0.4656 0.4684 0.4684 0.6483 0.6483 0.9634 0.9634 1.5269 1.5269 1.6771 1.6771 1.6807 1.6807 2.7993 2.7993 2.8015 2.8015 4.2844 4.2844 4.4153 4.4153 4.4232 4.4232 9.2293 9.2293 9.2376 9.2376 9.2494 9.2494 9.6785 9.6785 9.7132 9.7132 9.9218 9.9221 k = 0.4787 0.4787 0.4787 ( 8264 PWs) bands (ev): -35.3623 -35.3623 -35.3622 -35.3622 -35.3622 -35.3622 -16.6812 -16.6812 -16.6812 -16.6812 -16.6454 -16.6454 -16.3794 -16.3794 -16.3123 -16.3123 -16.3123 -16.3123 -16.2357 -16.2357 -16.1728 -16.1728 -16.1727 -16.1727 -9.8804 -9.8804 -9.8797 -9.8797 -9.8753 -9.8753 -3.1129 -3.1129 0.4604 0.4604 0.4616 0.4616 0.6419 0.6419 0.9585 0.9585 1.5262 1.5262 1.6781 1.6781 1.6797 1.6797 2.8035 2.8035 2.8045 2.8045 4.2844 4.2844 4.4170 4.4170 4.4206 4.4206 9.2436 9.2436 9.2472 9.2472 9.2602 9.2602 9.6980 9.6980 9.7158 9.7158 9.9273 9.9279 k = 0.4894 0.4894 0.4894 ( 8240 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6813 -16.6813 -16.6813 -16.6813 -16.6454 -16.6454 -16.3796 -16.3796 -16.3123 -16.3123 -16.3122 -16.3122 -16.2358 -16.2358 -16.1727 -16.1727 -16.1726 -16.1726 -9.8796 -9.8796 -9.8794 -9.8794 -9.8749 -9.8749 -3.1111 -3.1111 0.4572 0.4572 0.4575 0.4575 0.6380 0.6380 0.9556 0.9556 1.5257 1.5257 1.6787 1.6787 1.6791 1.6791 2.8061 2.8061 2.8063 2.8063 4.2844 4.2844 4.4182 4.4182 4.4191 4.4191 9.2520 9.2520 9.2529 9.2529 9.2668 9.2668 9.6966 9.6966 9.7341 9.7341 9.9295 9.9300 k = 0.5000 0.5000 0.5000 ( 8240 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6813 -16.6813 -16.6813 -16.6813 -16.6454 -16.6454 -16.3796 -16.3796 -16.3122 -16.3122 -16.3122 -16.3122 -16.2358 -16.2358 -16.1726 -16.1726 -16.1726 -16.1726 -9.8794 -9.8794 -9.8794 -9.8794 -9.8747 -9.8747 -3.1106 -3.1106 0.4561 0.4561 0.4561 0.4561 0.6367 0.6367 0.9547 0.9547 1.5256 1.5256 1.6789 1.6789 1.6789 1.6789 2.8069 2.8069 2.8069 2.8069 4.2843 4.2843 4.4185 4.4185 4.4185 4.4185 9.2547 9.2547 9.2547 9.2547 9.2690 9.2690 9.6954 9.6954 9.7418 9.7418 9.9296 9.9333 k = 0.5000 0.5000 0.5000 ( 8240 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6813 -16.6813 -16.6813 -16.6813 -16.6454 -16.6454 -16.3796 -16.3796 -16.3122 -16.3122 -16.3122 -16.3122 -16.2358 -16.2358 -16.1726 -16.1726 -16.1726 -16.1726 -9.8794 -9.8794 -9.8794 -9.8794 -9.8747 -9.8747 -3.1106 -3.1106 0.4561 0.4561 0.4561 0.4561 0.6367 0.6367 0.9547 0.9547 1.5256 1.5256 1.6789 1.6789 1.6789 1.6789 2.8069 2.8069 2.8069 2.8069 4.2843 4.2843 4.4185 4.4185 4.4185 4.4185 9.2547 9.2547 9.2547 9.2547 9.2690 9.2690 9.6954 9.6954 9.7418 9.7418 9.9291 9.9300 k = 0.4868 0.5000 0.4868 ( 8240 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6813 -16.6813 -16.6813 -16.6813 -16.6454 -16.6454 -16.3796 -16.3796 -16.3123 -16.3123 -16.3122 -16.3122 -16.2358 -16.2358 -16.1727 -16.1727 -16.1726 -16.1726 -9.8796 -9.8796 -9.8795 -9.8795 -9.8749 -9.8749 -3.1112 -3.1112 0.4572 0.4572 0.4575 0.4575 0.6380 0.6380 0.9557 0.9557 1.5257 1.5257 1.6787 1.6787 1.6791 1.6791 2.8057 2.8057 2.8066 2.8066 4.2844 4.2844 4.4182 4.4182 4.4190 4.4190 9.2520 9.2520 9.2528 9.2528 9.2667 9.2667 9.6966 9.6966 9.7340 9.7340 9.9298 9.9305 k = 0.4737 0.5000 0.4737 ( 8256 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3622 -35.3622 -16.6812 -16.6812 -16.6811 -16.6811 -16.6454 -16.6454 -16.3794 -16.3794 -16.3124 -16.3124 -16.3122 -16.3122 -16.2356 -16.2356 -16.1728 -16.1728 -16.1727 -16.1727 -9.8804 -9.8804 -9.8797 -9.8797 -9.8753 -9.8753 -3.1129 -3.1129 0.4605 0.4605 0.4617 0.4617 0.6420 0.6420 0.9586 0.9586 1.5262 1.5262 1.6781 1.6781 1.6797 1.6797 2.8021 2.8021 2.8058 2.8058 4.2845 4.2845 4.4171 4.4171 4.4206 4.4206 9.2439 9.2439 9.2466 9.2466 9.2601 9.2601 9.6997 9.6997 9.7135 9.7135 9.9267 9.9309 k = 0.4605 0.5000 0.4605 ( 8294 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3622 -35.3622 -16.6811 -16.6811 -16.6810 -16.6810 -16.6455 -16.6455 -16.3791 -16.3791 -16.3126 -16.3126 -16.3123 -16.3123 -16.2355 -16.2355 -16.1730 -16.1730 -16.1727 -16.1727 -9.8816 -9.8816 -9.8804 -9.8804 -9.8760 -9.8760 -3.1158 -3.1158 0.4659 0.4659 0.4685 0.4685 0.6486 0.6486 0.9635 0.9635 1.5269 1.5269 1.6772 1.6772 1.6807 1.6807 2.7961 2.7961 2.8045 2.8045 4.2845 4.2845 4.4153 4.4153 4.4232 4.4232 9.2306 9.2306 9.2356 9.2356 9.2497 9.2497 9.6866 9.6866 9.7035 9.7035 9.9219 9.9264 k = 0.4474 0.5000 0.4474 ( 8284 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3622 -35.3622 -16.6809 -16.6809 -16.6807 -16.6807 -16.6455 -16.6455 -16.3786 -16.3786 -16.3128 -16.3128 -16.3122 -16.3122 -16.2351 -16.2351 -16.1733 -16.1733 -16.1728 -16.1728 -9.8834 -9.8834 -9.8815 -9.8815 -9.8765 -9.8765 -3.1198 -3.1198 0.4734 0.4734 0.4781 0.4781 0.6578 0.6578 0.9704 0.9704 1.5279 1.5279 1.6759 1.6759 1.6820 1.6820 2.7879 2.7879 2.8026 2.8026 4.2844 4.2844 4.4130 4.4130 4.4270 4.4270 9.2116 9.2116 9.2190 9.2190 9.2371 9.2371 9.6586 9.6586 9.7060 9.7060 9.9141 9.9163 k = 0.4342 0.5000 0.4342 ( 8296 PWs) bands (ev): -35.3624 -35.3624 -35.3623 -35.3623 -35.3622 -35.3622 -16.6807 -16.6807 -16.6803 -16.6803 -16.6456 -16.6456 -16.3781 -16.3781 -16.3130 -16.3130 -16.3122 -16.3122 -16.2347 -16.2347 -16.1737 -16.1737 -16.1728 -16.1728 -9.8856 -9.8856 -9.8833 -9.8833 -9.8769 -9.8769 -3.1249 -3.1249 0.4830 0.4830 0.4902 0.4902 0.6694 0.6694 0.9793 0.9793 1.5292 1.5292 1.6741 1.6741 1.6838 1.6838 2.7776 2.7776 2.8001 2.8001 4.2841 4.2841 4.4101 4.4101 4.4323 4.4323 9.1849 9.1849 9.1983 9.1983 9.2229 9.2229 9.6330 9.6330 9.7051 9.7051 9.9062 9.9113 k = 0.4211 0.5000 0.4211 ( 8292 PWs) bands (ev): -35.3624 -35.3624 -35.3623 -35.3623 -35.3621 -35.3621 -16.6805 -16.6805 -16.6799 -16.6799 -16.6457 -16.6457 -16.3774 -16.3774 -16.3133 -16.3133 -16.3122 -16.3122 -16.2342 -16.2342 -16.1741 -16.1741 -16.1729 -16.1729 -9.8883 -9.8883 -9.8857 -9.8857 -9.8771 -9.8771 -3.1310 -3.1310 0.4945 0.4945 0.5047 0.5047 0.6836 0.6836 0.9901 0.9901 1.5309 1.5309 1.6720 1.6720 1.6858 1.6858 2.7654 2.7654 2.7971 2.7971 4.2834 4.2834 4.4069 4.4069 4.4391 4.4391 9.1492 9.1492 9.1758 9.1758 9.2073 9.2073 9.6115 9.6115 9.6992 9.6992 9.8955 9.8986 k = 0.4079 0.5000 0.4079 ( 8294 PWs) bands (ev): -35.3624 -35.3624 -35.3623 -35.3623 -35.3621 -35.3621 -16.6802 -16.6802 -16.6794 -16.6794 -16.6458 -16.6458 -16.3766 -16.3766 -16.3137 -16.3137 -16.3122 -16.3122 -16.2336 -16.2336 -16.1746 -16.1746 -16.1730 -16.1730 -9.8914 -9.8914 -9.8887 -9.8887 -9.8772 -9.8772 -3.1380 -3.1380 0.5079 0.5079 0.5215 0.5215 0.7000 0.7000 1.0028 1.0028 1.5328 1.5328 1.6695 1.6695 1.6883 1.6883 2.7515 2.7515 2.7936 2.7936 4.2824 4.2824 4.4034 4.4034 4.4476 4.4476 9.1050 9.1050 9.1519 9.1519 9.1902 9.1902 9.5944 9.5944 9.6873 9.6873 9.8820 9.8999 k = 0.3947 0.5000 0.3947 ( 8306 PWs) bands (ev): -35.3625 -35.3625 -35.3623 -35.3623 -35.3620 -35.3620 -16.6799 -16.6799 -16.6788 -16.6788 -16.6459 -16.6459 -16.3757 -16.3757 -16.3142 -16.3142 -16.3122 -16.3122 -16.2330 -16.2330 -16.1752 -16.1752 -16.1731 -16.1731 -9.8949 -9.8949 -9.8921 -9.8921 -9.8772 -9.8772 -3.1459 -3.1459 0.5230 0.5230 0.5405 0.5405 0.7187 0.7187 1.0174 1.0174 1.5352 1.5352 1.6666 1.6666 1.6909 1.6909 2.7361 2.7361 2.7895 2.7895 4.2811 4.2811 4.3997 4.3997 4.4579 4.4579 9.0535 9.0535 9.1270 9.1270 9.1720 9.1720 9.5813 9.5813 9.6690 9.6690 9.8691 9.8734 k = 0.3816 0.5000 0.3816 ( 8300 PWs) bands (ev): -35.3626 -35.3626 -35.3623 -35.3623 -35.3620 -35.3620 -16.6795 -16.6795 -16.6781 -16.6781 -16.6461 -16.6461 -16.3746 -16.3746 -16.3146 -16.3146 -16.3122 -16.3122 -16.2323 -16.2323 -16.1758 -16.1758 -16.1732 -16.1732 -9.8988 -9.8988 -9.8960 -9.8960 -9.8772 -9.8772 -3.1546 -3.1546 0.5397 0.5397 0.5614 0.5614 0.7393 0.7393 1.0339 1.0339 1.5379 1.5379 1.6633 1.6633 1.6939 1.6939 2.7195 2.7195 2.7848 2.7848 4.2795 4.2795 4.3960 4.3960 4.4699 4.4699 8.9961 8.9961 9.1014 9.1014 9.1527 9.1527 9.5711 9.5711 9.6449 9.6449 9.8508 9.8573 k = 0.3684 0.5000 0.3684 ( 8296 PWs) bands (ev): -35.3626 -35.3626 -35.3623 -35.3623 -35.3619 -35.3619 -16.6791 -16.6791 -16.6774 -16.6774 -16.6462 -16.6462 -16.3735 -16.3735 -16.3151 -16.3151 -16.3121 -16.3121 -16.2314 -16.2314 -16.1765 -16.1765 -16.1733 -16.1733 -9.9031 -9.9031 -9.9003 -9.9003 -9.8771 -9.8771 -3.1640 -3.1640 0.5580 0.5580 0.5841 0.5841 0.7618 0.7618 1.0522 1.0522 1.5411 1.5411 1.6595 1.6595 1.6971 1.6971 2.7019 2.7019 2.7797 2.7797 4.2778 4.2778 4.3924 4.3924 4.4837 4.4837 8.9341 8.9341 9.0753 9.0753 9.1327 9.1327 9.5629 9.5629 9.6157 9.6157 9.8333 9.8390 k = 0.3553 0.5000 0.3553 ( 8308 PWs) bands (ev): -35.3627 -35.3627 -35.3623 -35.3623 -35.3618 -35.3618 -16.6786 -16.6786 -16.6767 -16.6767 -16.6464 -16.6464 -16.3723 -16.3723 -16.3157 -16.3157 -16.3121 -16.3121 -16.2305 -16.2305 -16.1773 -16.1773 -16.1735 -16.1735 -9.9078 -9.9078 -9.9048 -9.9048 -9.8770 -9.8770 -3.1740 -3.1740 0.5778 0.5778 0.6083 0.6083 0.7859 0.7859 1.0722 1.0722 1.5448 1.5448 1.6553 1.6553 1.7004 1.7004 2.6836 2.6836 2.7740 2.7740 4.2763 4.2763 4.3889 4.3889 4.4992 4.4992 8.8685 8.8685 9.0489 9.0489 9.1121 9.1121 9.5552 9.5552 9.5827 9.5827 9.8093 9.8101 k = 0.3421 0.5000 0.3421 ( 8304 PWs) bands (ev): -35.3628 -35.3628 -35.3623 -35.3623 -35.3618 -35.3618 -16.6782 -16.6782 -16.6759 -16.6759 -16.6465 -16.6465 -16.3709 -16.3709 -16.3163 -16.3163 -16.3121 -16.3121 -16.2296 -16.2296 -16.1781 -16.1781 -16.1736 -16.1736 -9.9127 -9.9127 -9.9097 -9.9097 -9.8770 -9.8770 -3.1845 -3.1845 0.5989 0.5989 0.6337 0.6337 0.8113 0.8113 1.0940 1.0940 1.5492 1.5492 1.6506 1.6506 1.7039 1.7039 2.6649 2.6649 2.7677 2.7677 4.2749 4.2749 4.3859 4.3859 4.5163 4.5163 8.8004 8.8004 9.0222 9.0222 9.0911 9.0911 9.5395 9.5395 9.5548 9.5548 9.7825 9.7837 k = 0.3289 0.5000 0.3289 ( 8296 PWs) bands (ev): -35.3629 -35.3629 -35.3623 -35.3623 -35.3617 -35.3617 -16.6777 -16.6777 -16.6750 -16.6750 -16.6467 -16.6467 -16.3695 -16.3695 -16.3169 -16.3169 -16.3121 -16.3121 -16.2285 -16.2285 -16.1789 -16.1789 -16.1738 -16.1738 -9.9180 -9.9180 -9.9149 -9.9149 -9.8768 -9.8768 -3.1954 -3.1954 0.6211 0.6211 0.6602 0.6602 0.8379 0.8379 1.1172 1.1172 1.5543 1.5543 1.6456 1.6456 1.7075 1.7075 2.6460 2.6460 2.7610 2.7610 4.2739 4.2739 4.3836 4.3836 4.5349 4.5349 8.7304 8.7304 8.9953 8.9953 9.0698 9.0698 9.5019 9.5019 9.5459 9.5459 9.7527 9.7529 k = 0.3158 0.5000 0.3158 ( 8284 PWs) bands (ev): -35.3629 -35.3629 -35.3623 -35.3623 -35.3616 -35.3616 -16.6771 -16.6771 -16.6741 -16.6741 -16.6469 -16.6469 -16.3680 -16.3680 -16.3176 -16.3176 -16.3122 -16.3122 -16.2274 -16.2274 -16.1797 -16.1797 -16.1740 -16.1740 -9.9234 -9.9234 -9.9203 -9.9203 -9.8767 -9.8767 -3.2067 -3.2067 0.6445 0.6445 0.6874 0.6874 0.8653 0.8653 1.1418 1.1418 1.5603 1.5603 1.6401 1.6401 1.7111 1.7111 2.6273 2.6273 2.7537 2.7537 4.2731 4.2731 4.3823 4.3823 4.5548 4.5548 8.6592 8.6592 8.9681 8.9681 9.0486 9.0486 9.4595 9.4595 9.5394 9.5394 9.7217 9.7221 k = 0.3026 0.5000 0.3026 ( 8288 PWs) bands (ev): -35.3630 -35.3630 -35.3623 -35.3623 -35.3615 -35.3615 -16.6766 -16.6766 -16.6732 -16.6732 -16.6471 -16.6471 -16.3664 -16.3664 -16.3182 -16.3182 -16.3122 -16.3122 -16.2263 -16.2263 -16.1806 -16.1806 -16.1742 -16.1742 -9.9291 -9.9291 -9.9259 -9.9259 -9.8766 -9.8766 -3.2182 -3.2182 0.6688 0.6688 0.7150 0.7150 0.8934 0.8934 1.1676 1.1676 1.5673 1.5673 1.6345 1.6345 1.7146 1.7146 2.6088 2.6088 2.7460 2.7460 4.2725 4.2725 4.3825 4.3825 4.5760 4.5760 8.5872 8.5872 8.9407 8.9407 9.0274 9.0274 9.4151 9.4151 9.5329 9.5329 9.6902 9.6905 k = 0.2895 0.5000 0.2895 ( 8308 PWs) bands (ev): -35.3631 -35.3631 -35.3623 -35.3623 -35.3615 -35.3615 -16.6761 -16.6761 -16.6723 -16.6723 -16.6473 -16.6473 -16.3648 -16.3648 -16.3190 -16.3190 -16.3123 -16.3123 -16.2251 -16.2251 -16.1815 -16.1815 -16.1744 -16.1744 -9.9349 -9.9349 -9.9317 -9.9317 -9.8765 -9.8765 -3.2298 -3.2298 0.6939 0.6939 0.7428 0.7428 0.9218 0.9218 1.1941 1.1941 1.5753 1.5753 1.6288 1.6288 1.7181 1.7181 2.5909 2.5909 2.7377 2.7377 4.2716 4.2716 4.3849 4.3849 4.5982 4.5982 8.5149 8.5149 8.9130 8.9130 9.0064 9.0064 9.3694 9.3694 9.5257 9.5257 9.6585 9.6586 k = 0.2763 0.5000 0.2763 ( 8320 PWs) bands (ev): -35.3632 -35.3632 -35.3623 -35.3623 -35.3614 -35.3614 -16.6756 -16.6756 -16.6714 -16.6714 -16.6475 -16.6475 -16.3631 -16.3631 -16.3197 -16.3197 -16.3124 -16.3124 -16.2239 -16.2239 -16.1824 -16.1824 -16.1746 -16.1746 -9.9408 -9.9408 -9.9375 -9.9375 -9.8764 -9.8764 -3.2416 -3.2416 0.7197 0.7197 0.7705 0.7705 0.9503 0.9503 1.2210 1.2210 1.5839 1.5839 1.6240 1.6240 1.7214 1.7214 2.5738 2.5738 2.7291 2.7291 4.2701 4.2701 4.3901 4.3901 4.6214 4.6214 8.4426 8.4426 8.8851 8.8851 8.9858 8.9858 9.3229 9.3229 9.5178 9.5178 9.6272 9.6272 k = 0.2632 0.5000 0.2632 ( 8316 PWs) bands (ev): -35.3633 -35.3633 -35.3623 -35.3623 -35.3613 -35.3613 -16.6750 -16.6750 -16.6704 -16.6704 -16.6478 -16.6478 -16.3614 -16.3614 -16.3204 -16.3204 -16.3125 -16.3125 -16.2226 -16.2226 -16.1833 -16.1833 -16.1748 -16.1748 -9.9468 -9.9468 -9.9435 -9.9435 -9.8762 -9.8762 -3.2532 -3.2532 0.7460 0.7460 0.7977 0.7977 0.9789 0.9789 1.2477 1.2477 1.5910 1.5910 1.6227 1.6227 1.7245 1.7245 2.5575 2.5575 2.7200 2.7200 4.2676 4.2676 4.3988 4.3988 4.6454 4.6454 8.3705 8.3705 8.8568 8.8568 8.9658 8.9658 9.2762 9.2762 9.5084 9.5084 9.5965 9.5965 k = 0.2500 0.5000 0.2500 ( 8328 PWs) bands (ev): -35.3634 -35.3634 -35.3623 -35.3623 -35.3612 -35.3612 -16.6745 -16.6745 -16.6695 -16.6695 -16.6480 -16.6480 -16.3596 -16.3596 -16.3212 -16.3212 -16.3127 -16.3127 -16.2213 -16.2213 -16.1843 -16.1843 -16.1751 -16.1751 -9.9528 -9.9528 -9.9495 -9.9495 -9.8761 -9.8761 -3.2648 -3.2648 0.7728 0.7728 0.8241 0.8241 1.0072 1.0072 1.2737 1.2737 1.5921 1.5921 1.6298 1.6298 1.7273 1.7273 2.5421 2.5421 2.7105 2.7105 4.2637 4.2637 4.4114 4.4114 4.6700 4.6700 8.2989 8.2989 8.8282 8.8282 8.9464 8.9464 9.2297 9.2297 9.4970 9.4970 9.5666 9.5667 k = 0.2368 0.5000 0.2368 ( 8316 PWs) bands (ev): -35.3635 -35.3635 -35.3623 -35.3623 -35.3611 -35.3611 -16.6740 -16.6740 -16.6685 -16.6685 -16.6482 -16.6482 -16.3578 -16.3578 -16.3219 -16.3219 -16.3129 -16.3129 -16.2200 -16.2200 -16.1851 -16.1851 -16.1753 -16.1753 -9.9589 -9.9589 -9.9554 -9.9554 -9.8759 -9.8759 -3.2762 -3.2762 0.7997 0.7997 0.8496 0.8496 1.0352 1.0352 1.2984 1.2984 1.5877 1.5877 1.6455 1.6455 1.7297 1.7297 2.5278 2.5278 2.7008 2.7008 4.2585 4.2585 4.4280 4.4280 4.6950 4.6950 8.2280 8.2280 8.7994 8.7994 8.9278 8.9278 9.1837 9.1837 9.4825 9.4825 9.5378 9.5378 k = 0.2237 0.5000 0.2237 ( 8324 PWs) bands (ev): -35.3636 -35.3636 -35.3623 -35.3623 -35.3610 -35.3610 -16.6735 -16.6735 -16.6676 -16.6676 -16.6485 -16.6485 -16.3559 -16.3559 -16.3227 -16.3227 -16.3131 -16.3131 -16.2187 -16.2187 -16.1860 -16.1860 -16.1756 -16.1756 -9.9648 -9.9648 -9.9614 -9.9614 -9.8758 -9.8758 -3.2874 -3.2874 0.8267 0.8267 0.8738 0.8738 1.0629 1.0629 1.3212 1.3212 1.5809 1.5809 1.6668 1.6668 1.7317 1.7317 2.5145 2.5145 2.6908 2.6908 4.2519 4.2519 4.4487 4.4487 4.7204 4.7204 8.1578 8.1578 8.7703 8.7703 8.9099 8.9099 9.1386 9.1386 9.4637 9.4637 9.5100 9.5100 k = 0.2105 0.5000 0.2105 ( 8316 PWs) bands (ev): -35.3637 -35.3637 -35.3623 -35.3623 -35.3609 -35.3609 -16.6730 -16.6730 -16.6666 -16.6666 -16.6487 -16.6487 -16.3540 -16.3540 -16.3234 -16.3234 -16.3133 -16.3133 -16.2173 -16.2173 -16.1869 -16.1869 -16.1758 -16.1758 -9.9707 -9.9707 -9.9672 -9.9672 -9.8756 -9.8756 -3.2983 -3.2983 0.8534 0.8534 0.8965 0.8965 1.0900 1.0900 1.3417 1.3417 1.5733 1.5733 1.6926 1.6926 1.7333 1.7333 2.5022 2.5022 2.6806 2.6806 4.2441 4.2441 4.4733 4.4733 4.7458 4.7458 8.0886 8.0886 8.7409 8.7409 8.8930 8.8930 9.0949 9.0949 9.4394 9.4394 9.4831 9.4832 k = 0.1974 0.5000 0.1974 ( 8320 PWs) bands (ev): -35.3638 -35.3638 -35.3623 -35.3623 -35.3608 -35.3608 -16.6725 -16.6725 -16.6657 -16.6657 -16.6490 -16.6490 -16.3522 -16.3522 -16.3241 -16.3241 -16.3136 -16.3136 -16.2160 -16.2160 -16.1877 -16.1877 -16.1761 -16.1761 -9.9764 -9.9764 -9.9729 -9.9729 -9.8755 -9.8755 -3.3088 -3.3088 0.8798 0.8798 0.9177 0.9177 1.1167 1.1167 1.3599 1.3599 1.5653 1.5653 1.7223 1.7223 1.7344 1.7344 2.4908 2.4908 2.6703 2.6703 4.2353 4.2353 4.5016 4.5016 4.7713 4.7713 8.0204 8.0204 8.7113 8.7113 8.8771 8.8771 9.0529 9.0529 9.4086 9.4086 9.4570 9.4571 k = 0.1842 0.5000 0.1842 ( 8328 PWs) bands (ev): -35.3638 -35.3638 -35.3623 -35.3623 -35.3608 -35.3608 -16.6721 -16.6721 -16.6647 -16.6647 -16.6492 -16.6492 -16.3503 -16.3503 -16.3248 -16.3248 -16.3140 -16.3140 -16.2147 -16.2147 -16.1886 -16.1886 -16.1764 -16.1764 -9.9820 -9.9820 -9.9785 -9.9785 -9.8753 -9.8753 -3.3188 -3.3188 0.9056 0.9056 0.9371 0.9371 1.1426 1.1426 1.3757 1.3757 1.5573 1.5573 1.7348 1.7348 1.7554 1.7554 2.4802 2.4802 2.6600 2.6600 4.2256 4.2256 4.5330 4.5330 4.7966 4.7966 7.9534 7.9534 8.6816 8.6816 8.8623 8.8623 9.0129 9.0129 9.3710 9.3710 9.4317 9.4358 k = 0.1711 0.5000 0.1711 ( 8332 PWs) bands (ev): -35.3639 -35.3639 -35.3623 -35.3623 -35.3607 -35.3607 -16.6717 -16.6717 -16.6638 -16.6638 -16.6495 -16.6495 -16.3484 -16.3484 -16.3255 -16.3255 -16.3144 -16.3144 -16.2134 -16.2134 -16.1893 -16.1893 -16.1767 -16.1767 -9.9874 -9.9874 -9.9839 -9.9839 -9.8752 -9.8752 -3.3284 -3.3284 0.9305 0.9305 0.9548 0.9548 1.1679 1.1679 1.3895 1.3895 1.5494 1.5494 1.7348 1.7348 1.7913 1.7913 2.4702 2.4702 2.6499 2.6499 4.2152 4.2152 4.5673 4.5673 4.8215 4.8215 7.8878 7.8878 8.6518 8.6518 8.8484 8.8484 8.9755 8.9755 9.3275 9.3275 9.3948 9.3955 k = 0.1579 0.5000 0.1579 ( 8332 PWs) bands (ev): -35.3640 -35.3640 -35.3623 -35.3623 -35.3606 -35.3606 -16.6713 -16.6713 -16.6630 -16.6630 -16.6498 -16.6498 -16.3466 -16.3466 -16.3261 -16.3261 -16.3148 -16.3148 -16.2121 -16.2121 -16.1901 -16.1901 -16.1770 -16.1770 -9.9925 -9.9925 -9.9890 -9.9890 -9.8751 -9.8751 -3.3374 -3.3374 0.9542 0.9542 0.9707 0.9707 1.1924 1.1924 1.4015 1.4015 1.5418 1.5418 1.7341 1.7341 1.8293 1.8293 2.4606 2.4606 2.6400 2.6400 4.2044 4.2044 4.6039 4.6039 4.8460 4.8460 7.8237 7.8237 8.6220 8.6220 8.8356 8.8356 8.9412 8.9412 9.2797 9.2797 9.3478 9.3478 k = 0.1447 0.5000 0.1447 ( 8328 PWs) bands (ev): -35.3641 -35.3641 -35.3623 -35.3623 -35.3605 -35.3605 -16.6710 -16.6710 -16.6621 -16.6621 -16.6500 -16.6500 -16.3447 -16.3447 -16.3267 -16.3267 -16.3153 -16.3153 -16.2109 -16.2109 -16.1907 -16.1907 -16.1772 -16.1772 -9.9973 -9.9973 -9.9938 -9.9938 -9.8750 -9.8750 -3.3459 -3.3459 0.9763 0.9763 0.9851 0.9851 1.2159 1.2159 1.4122 1.4122 1.5344 1.5344 1.7328 1.7328 1.8687 1.8687 2.4513 2.4513 2.6306 2.6306 4.1932 4.1932 4.6421 4.6421 4.8699 4.8699 7.7613 7.7613 8.5923 8.5923 8.8238 8.8238 8.9102 8.9102 9.2296 9.2296 9.3000 9.3001 k = 0.1316 0.5000 0.1316 ( 8330 PWs) bands (ev): -35.3641 -35.3641 -35.3623 -35.3623 -35.3605 -35.3605 -16.6707 -16.6707 -16.6613 -16.6613 -16.6503 -16.6503 -16.3429 -16.3429 -16.3273 -16.3273 -16.3158 -16.3158 -16.2098 -16.2098 -16.1914 -16.1914 -16.1775 -16.1775 -10.0018 -10.0018 -9.9984 -9.9984 -9.8748 -9.8748 -3.3537 -3.3537 0.9950 0.9950 0.9997 0.9997 1.2385 1.2385 1.4220 1.4220 1.5273 1.5273 1.7311 1.7311 1.9087 1.9087 2.4419 2.4419 2.6218 2.6218 4.1819 4.1819 4.6811 4.6811 4.8932 4.8932 7.7010 7.7010 8.5629 8.5629 8.8128 8.8128 8.8831 8.8831 9.1789 9.1789 9.2527 9.2527 k = 0.1184 0.5000 0.1184 ( 8324 PWs) bands (ev): -35.3642 -35.3642 -35.3623 -35.3623 -35.3604 -35.3604 -16.6704 -16.6704 -16.6605 -16.6605 -16.6505 -16.6505 -16.3412 -16.3412 -16.3278 -16.3278 -16.3164 -16.3164 -16.2087 -16.2087 -16.1919 -16.1919 -16.1778 -16.1778 -10.0060 -10.0060 -10.0026 -10.0026 -9.8747 -9.8747 -3.3609 -3.3609 1.0071 1.0071 1.0173 1.0173 1.2599 1.2599 1.4311 1.4311 1.5204 1.5204 1.7288 1.7288 1.9488 1.9488 2.4322 2.4322 2.6138 2.6138 4.1707 4.1707 4.7201 4.7201 4.9158 4.9158 7.6431 7.6431 8.5342 8.5342 8.8026 8.8026 8.8603 8.8603 9.1291 9.1291 9.2066 9.2066 k = 0.1053 0.5000 0.1053 ( 8318 PWs) bands (ev): -35.3643 -35.3643 -35.3623 -35.3623 -35.3603 -35.3603 -16.6701 -16.6701 -16.6597 -16.6597 -16.6508 -16.6508 -16.3395 -16.3395 -16.3283 -16.3283 -16.3171 -16.3171 -16.2077 -16.2077 -16.1925 -16.1925 -16.1780 -16.1780 -10.0099 -10.0099 -10.0064 -10.0064 -9.8746 -9.8746 -3.3675 -3.3675 1.0166 1.0166 1.0340 1.0340 1.2802 1.2802 1.4397 1.4397 1.5138 1.5138 1.7261 1.7261 1.9883 1.9883 2.4219 2.4219 2.6067 2.6067 4.1597 4.1597 4.7580 4.7580 4.9376 4.9376 7.5881 7.5881 8.5065 8.5065 8.7929 8.7929 8.8419 8.8419 9.0815 9.0815 9.1628 9.1628 k = 0.0921 0.5000 0.0921 ( 8310 PWs) bands (ev): -35.3643 -35.3643 -35.3623 -35.3623 -35.3603 -35.3603 -16.6699 -16.6699 -16.6590 -16.6590 -16.6511 -16.6511 -16.3379 -16.3379 -16.3286 -16.3286 -16.3178 -16.3178 -16.2067 -16.2067 -16.1929 -16.1929 -16.1783 -16.1783 -10.0133 -10.0133 -10.0099 -10.0099 -9.8745 -9.8745 -3.3733 -3.3733 1.0245 1.0245 1.0488 1.0488 1.2993 1.2993 1.4479 1.4479 1.5073 1.5073 1.7231 1.7231 2.0266 2.0266 2.4110 2.4110 2.6005 2.6005 4.1493 4.1493 4.7937 4.7937 4.9588 4.9588 7.5368 7.5368 8.4802 8.4802 8.7838 8.7838 8.8280 8.8280 9.0372 9.0372 9.1218 9.1218 k = 0.0789 0.5000 0.0789 ( 8322 PWs) bands (ev): -35.3644 -35.3644 -35.3623 -35.3623 -35.3603 -35.3603 -16.6697 -16.6697 -16.6583 -16.6583 -16.6514 -16.6514 -16.3363 -16.3363 -16.3290 -16.3290 -16.3185 -16.3185 -16.2059 -16.2059 -16.1933 -16.1933 -16.1785 -16.1785 -10.0163 -10.0163 -10.0130 -10.0130 -9.8745 -9.8745 -3.3784 -3.3784 1.0311 1.0311 1.0613 1.0613 1.3171 1.3171 1.4556 1.4556 1.5010 1.5010 1.7200 1.7200 2.0632 2.0632 2.3992 2.3992 2.5953 2.5953 4.1396 4.1396 4.8261 4.8261 4.9792 4.9792 7.4897 7.4897 8.4560 8.4560 8.7756 8.7756 8.8179 8.8179 8.9972 8.9972 9.0843 9.0843 k = 0.0658 0.5000 0.0658 ( 8320 PWs) bands (ev): -35.3644 -35.3644 -35.3623 -35.3623 -35.3602 -35.3602 -16.6696 -16.6696 -16.6577 -16.6577 -16.6516 -16.6516 -16.3349 -16.3349 -16.3292 -16.3292 -16.3193 -16.3193 -16.2052 -16.2052 -16.1937 -16.1937 -16.1787 -16.1787 -10.0189 -10.0189 -10.0156 -10.0156 -9.8744 -9.8744 -3.3827 -3.3827 1.0365 1.0365 1.0717 1.0717 1.3334 1.3334 1.4625 1.4625 1.4949 1.4949 1.7169 1.7169 2.0975 2.0975 2.3867 2.3867 2.5912 2.5912 4.1309 4.1309 4.8542 4.8542 4.9986 4.9986 7.4477 7.4477 8.4343 8.4343 8.7686 8.7686 8.8111 8.8111 8.9621 8.9621 9.0508 9.0508 k = 0.0526 0.5000 0.0526 ( 8328 PWs) bands (ev): -35.3644 -35.3644 -35.3623 -35.3623 -35.3602 -35.3602 -16.6695 -16.6695 -16.6571 -16.6571 -16.6519 -16.6519 -16.3337 -16.3337 -16.3293 -16.3293 -16.3201 -16.3201 -16.2046 -16.2046 -16.1939 -16.1939 -16.1789 -16.1789 -10.0210 -10.0210 -10.0177 -10.0177 -9.8743 -9.8743 -3.3863 -3.3863 1.0408 1.0408 1.0800 1.0800 1.3481 1.3481 1.4683 1.4683 1.4893 1.4893 1.7140 1.7140 2.1290 2.1290 2.3735 2.3735 2.5880 2.5880 4.1234 4.1234 4.8773 4.8773 5.0165 5.0165 7.4117 7.4117 8.4158 8.4158 8.7632 8.7632 8.8067 8.8067 8.9326 8.9326 9.0220 9.0220 k = 0.0395 0.5000 0.0395 ( 8336 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3602 -35.3602 -16.6694 -16.6694 -16.6567 -16.6567 -16.6522 -16.6522 -16.3327 -16.3327 -16.3293 -16.3293 -16.3209 -16.3209 -16.2041 -16.2041 -16.1942 -16.1942 -16.1791 -16.1791 -10.0227 -10.0227 -10.0195 -10.0195 -9.8743 -9.8743 -3.3891 -3.3891 1.0440 1.0440 1.0862 1.0862 1.3608 1.3608 1.4718 1.4718 1.4853 1.4853 1.7115 1.7115 2.1568 2.1568 2.3603 2.3603 2.5857 2.5857 4.1174 4.1174 4.8951 4.8951 5.0320 5.0320 7.3826 7.3826 8.4008 8.4008 8.7593 8.7593 8.8041 8.8041 8.9092 8.9092 8.9984 8.9984 k = 0.0263 0.5000 0.0263 ( 8348 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3601 -35.3601 -16.6694 -16.6694 -16.6563 -16.6563 -16.6524 -16.6524 -16.3321 -16.3321 -16.3291 -16.3291 -16.3216 -16.3216 -16.2038 -16.2038 -16.1943 -16.1943 -16.1792 -16.1792 -10.0239 -10.0239 -10.0207 -10.0207 -9.8743 -9.8743 -3.3911 -3.3911 1.0463 1.0463 1.0906 1.0906 1.3708 1.3708 1.4717 1.4717 1.4844 1.4844 1.7095 1.7095 2.1795 2.1795 2.3481 2.3481 2.5841 2.5841 4.1129 4.1129 4.9076 4.9076 5.0441 5.0441 7.3611 7.3611 8.3898 8.3898 8.7568 8.7568 8.8028 8.8028 8.8923 8.8923 8.9808 8.9808 k = 0.0132 0.5000 0.0132 ( 8340 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3601 -35.3601 -16.6693 -16.6693 -16.6560 -16.6560 -16.6525 -16.6525 -16.3318 -16.3318 -16.3288 -16.3288 -16.3221 -16.3221 -16.2036 -16.2036 -16.1944 -16.1944 -16.1792 -16.1792 -10.0246 -10.0246 -10.0214 -10.0214 -9.8742 -9.8742 -3.3923 -3.3923 1.0477 1.0477 1.0931 1.0931 1.3775 1.3775 1.4697 1.4697 1.4853 1.4853 1.7082 1.7082 2.1951 2.1951 2.3389 2.3389 2.5832 2.5832 4.1101 4.1101 4.9150 4.9150 5.0518 5.0518 7.3479 7.3479 8.3831 8.3831 8.7555 8.7555 8.8023 8.8023 8.8821 8.8821 8.9698 8.9698 k = 0.0000 0.5000-0.0000 ( 8330 PWs) bands (ev): -35.3645 -35.3645 -35.3623 -35.3623 -35.3601 -35.3601 -16.6693 -16.6693 -16.6559 -16.6559 -16.6526 -16.6526 -16.3317 -16.3317 -16.3287 -16.3287 -16.3222 -16.3222 -16.2035 -16.2035 -16.1944 -16.1944 -16.1792 -16.1792 -10.0249 -10.0249 -10.0217 -10.0217 -9.8742 -9.8742 -3.3927 -3.3927 1.0481 1.0481 1.0940 1.0940 1.3798 1.3798 1.4687 1.4687 1.4858 1.4858 1.7078 1.7078 2.2008 2.2008 2.3353 2.3353 2.5830 2.5830 4.1092 4.1092 4.9174 4.9174 5.0545 5.0545 7.3435 7.3435 8.3809 8.3809 8.7551 8.7551 8.8022 8.8022 8.8786 8.8786 8.9661 8.9661 k = 0.5000 0.5000-0.0000 ( 8340 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6752 -16.6752 -16.6656 -16.6656 -16.6505 -16.6505 -16.3497 -16.3497 -16.3363 -16.3363 -16.3071 -16.3071 -16.2155 -16.2155 -16.1940 -16.1940 -16.1726 -16.1726 -9.9508 -9.9508 -9.9476 -9.9476 -9.8798 -9.8798 -3.2715 -3.2715 0.7725 0.7725 0.8549 0.8549 1.1233 1.1233 1.3088 1.3088 1.5854 1.5854 1.6980 1.6980 1.7614 1.7614 2.1282 2.1282 2.8602 2.8602 4.2134 4.2134 4.3084 4.3084 4.5591 4.5591 9.0444 9.0444 9.1345 9.1345 9.1384 9.1384 9.2051 9.2051 9.2076 9.2076 9.3517 9.3520 k = 0.5000 0.5000 0.0185 ( 8340 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6752 -16.6752 -16.6656 -16.6656 -16.6504 -16.6504 -16.3500 -16.3500 -16.3361 -16.3361 -16.3071 -16.3071 -16.2156 -16.2156 -16.1938 -16.1938 -16.1726 -16.1726 -9.9505 -9.9505 -9.9474 -9.9474 -9.8798 -9.8798 -3.2710 -3.2710 0.7715 0.7715 0.8535 0.8535 1.1211 1.1211 1.3075 1.3075 1.5861 1.5861 1.6958 1.6958 1.7605 1.7605 2.1327 2.1327 2.8600 2.8600 4.2138 4.2138 4.3090 4.3090 4.5586 4.5586 9.0445 9.0445 9.1184 9.1184 9.1222 9.1222 9.2260 9.2260 9.2287 9.2287 9.3533 9.3535 k = 0.5000 0.5000 0.0370 ( 8340 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6753 -16.6753 -16.6659 -16.6659 -16.6503 -16.6503 -16.3508 -16.3508 -16.3353 -16.3353 -16.3072 -16.3072 -16.2160 -16.2160 -16.1934 -16.1934 -16.1726 -16.1726 -9.9498 -9.9498 -9.9466 -9.9466 -9.8797 -9.8797 -3.2695 -3.2695 0.7685 0.7685 0.8494 0.8494 1.1145 1.1145 1.3035 1.3035 1.5881 1.5881 1.6893 1.6893 1.7581 1.7581 2.1457 2.1457 2.8595 2.8595 4.2153 4.2153 4.3107 4.3107 4.5570 4.5570 9.0447 9.0447 9.0908 9.0908 9.0948 9.0948 9.2677 9.2677 9.2705 9.2705 9.3581 9.3586 k = 0.5000 0.5000 0.0556 ( 8332 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6754 -16.6754 -16.6662 -16.6662 -16.6501 -16.6501 -16.3520 -16.3520 -16.3343 -16.3343 -16.3073 -16.3073 -16.2167 -16.2167 -16.1928 -16.1928 -16.1726 -16.1726 -9.9486 -9.9486 -9.9455 -9.9455 -9.8797 -9.8797 -3.2670 -3.2670 0.7636 0.7636 0.8427 0.8427 1.1037 1.1037 1.2969 1.2969 1.5913 1.5913 1.6792 1.6792 1.7548 1.7548 2.1660 2.1660 2.8585 2.8585 4.2176 4.2176 4.3134 4.3134 4.5545 4.5545 9.0444 9.0444 9.0646 9.0646 9.0697 9.0697 9.3173 9.3173 9.3202 9.3202 9.3661 9.3661 k = 0.5000 0.5000 0.0741 ( 8312 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6755 -16.6755 -16.6667 -16.6667 -16.6499 -16.6499 -16.3534 -16.3534 -16.3330 -16.3330 -16.3074 -16.3074 -16.2175 -16.2175 -16.1919 -16.1919 -16.1726 -16.1726 -9.9470 -9.9470 -9.9438 -9.9438 -9.8797 -9.8797 -3.2635 -3.2635 0.7568 0.7568 0.8334 0.8334 1.0892 1.0892 1.2877 1.2877 1.5956 1.5956 1.6666 1.6666 1.7510 1.7510 2.1923 2.1923 2.8572 2.8572 4.2207 4.2207 4.3171 4.3171 4.5510 4.5510 9.0389 9.0389 9.0421 9.0421 9.0541 9.0541 9.3721 9.3721 9.3733 9.3733 9.3790 9.3790 k = 0.5000 0.5000 0.0926 ( 8304 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6757 -16.6757 -16.6673 -16.6673 -16.6496 -16.6496 -16.3549 -16.3549 -16.3316 -16.3316 -16.3075 -16.3075 -16.2184 -16.2184 -16.1909 -16.1909 -16.1726 -16.1726 -9.9449 -9.9449 -9.9418 -9.9418 -9.8796 -9.8796 -3.2590 -3.2590 0.7483 0.7483 0.8217 0.8217 1.0713 1.0713 1.2761 1.2761 1.6005 1.6005 1.6525 1.6525 1.7469 1.7469 2.2229 2.2229 2.8556 2.8556 4.2245 4.2245 4.3216 4.3216 4.5465 4.5465 9.0238 9.0238 9.0243 9.0243 9.0524 9.0524 9.3910 9.3910 9.4310 9.4310 9.4344 9.4344 k = 0.5000 0.5000 0.1111 ( 8320 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6759 -16.6759 -16.6680 -16.6680 -16.6493 -16.6493 -16.3566 -16.3566 -16.3302 -16.3302 -16.3077 -16.3077 -16.2195 -16.2195 -16.1898 -16.1898 -16.1726 -16.1726 -9.9425 -9.9425 -9.9393 -9.9393 -9.8795 -9.8795 -3.2537 -3.2537 0.7380 0.7380 0.8077 0.8077 1.0505 1.0505 1.2622 1.2622 1.6060 1.6060 1.6380 1.6380 1.7427 1.7427 2.2567 2.2567 2.8537 2.8537 4.2289 4.2289 4.3269 4.3269 4.5412 4.5412 9.0099 9.0099 9.0112 9.0112 9.0541 9.0541 9.4081 9.4081 9.4735 9.4735 9.4931 9.4933 k = 0.5000 0.5000 0.1296 ( 8316 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6761 -16.6761 -16.6687 -16.6687 -16.6490 -16.6490 -16.3583 -16.3583 -16.3287 -16.3287 -16.3079 -16.3079 -16.2206 -16.2206 -16.1887 -16.1887 -16.1726 -16.1726 -9.9397 -9.9397 -9.9365 -9.9365 -9.8794 -9.8794 -3.2476 -3.2476 0.7261 0.7261 0.7915 0.7915 1.0272 1.0272 1.2461 1.2461 1.6118 1.6118 1.6238 1.6238 1.7383 1.7383 2.2927 2.2927 2.8514 2.8514 4.2337 4.2337 4.3328 4.3328 4.5352 4.5352 9.0003 9.0003 9.0020 9.0020 9.0570 9.0570 9.4279 9.4279 9.4912 9.4912 9.5490 9.5490 k = 0.5000 0.5000 0.1481 ( 8308 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6764 -16.6764 -16.6695 -16.6695 -16.6486 -16.6486 -16.3600 -16.3600 -16.3273 -16.3273 -16.3082 -16.3082 -16.2218 -16.2218 -16.1874 -16.1874 -16.1726 -16.1726 -9.9365 -9.9365 -9.9334 -9.9334 -9.8793 -9.8793 -3.2407 -3.2407 0.7127 0.7127 0.7735 0.7735 1.0021 1.0021 1.2283 1.2283 1.6106 1.6106 1.6178 1.6178 1.7339 1.7339 2.3301 2.3301 2.8490 2.8490 4.2389 4.2389 4.3391 4.3391 4.5284 4.5284 8.9951 8.9951 8.9969 8.9969 9.0608 9.0608 9.4504 9.4504 9.5112 9.5112 9.5288 9.5288 k = 0.5000 0.5000 0.1667 ( 8328 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6767 -16.6767 -16.6704 -16.6704 -16.6483 -16.6483 -16.3617 -16.3617 -16.3259 -16.3259 -16.3084 -16.3084 -16.2230 -16.2230 -16.1862 -16.1862 -16.1726 -16.1726 -9.9331 -9.9331 -9.9299 -9.9299 -9.8793 -9.8793 -3.2331 -3.2331 0.6980 0.6980 0.7538 0.7538 0.9756 0.9756 1.2091 1.2091 1.5985 1.5985 1.6237 1.6237 1.7293 1.7293 2.3684 2.3684 2.8463 2.8463 4.2442 4.2442 4.3457 4.3457 4.5210 4.5210 8.9938 8.9938 8.9957 8.9957 9.0654 9.0654 9.4753 9.4753 9.5011 9.5011 9.5336 9.5336 k = 0.5000 0.5000 0.1852 ( 8312 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6770 -16.6770 -16.6712 -16.6712 -16.6480 -16.6480 -16.3634 -16.3634 -16.3245 -16.3245 -16.3087 -16.3087 -16.2242 -16.2242 -16.1850 -16.1850 -16.1726 -16.1726 -9.9294 -9.9294 -9.9262 -9.9262 -9.8791 -9.8791 -3.2250 -3.2250 0.6822 0.6822 0.7328 0.7328 0.9480 0.9480 1.1888 1.1888 1.5877 1.5877 1.6295 1.6295 1.7248 1.7248 2.4068 2.4068 2.8435 2.8435 4.2496 4.2496 4.3525 4.3525 4.5131 4.5131 8.9964 8.9964 8.9985 8.9985 9.0711 9.0711 9.4792 9.4792 9.5026 9.5026 9.5577 9.5577 k = 0.5000 0.5000 0.2037 ( 8304 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6773 -16.6773 -16.6721 -16.6721 -16.6477 -16.6477 -16.3650 -16.3650 -16.3232 -16.3232 -16.3090 -16.3090 -16.2253 -16.2253 -16.1838 -16.1838 -16.1726 -16.1726 -9.9255 -9.9255 -9.9224 -9.9224 -9.8790 -9.8790 -3.2164 -3.2164 0.6654 0.6654 0.7107 0.7107 0.9199 0.9199 1.1679 1.1679 1.5782 1.5782 1.6351 1.6351 1.7202 1.7202 2.4451 2.4451 2.8405 2.8405 4.2548 4.2548 4.3593 4.3593 4.5048 4.5048 9.0026 9.0026 9.0049 9.0049 9.0777 9.0777 9.4631 9.4631 9.5318 9.5318 9.5834 9.5834 k = 0.5000 0.5000 0.2222 ( 8288 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6777 -16.6777 -16.6730 -16.6730 -16.6474 -16.6474 -16.3666 -16.3666 -16.3219 -16.3219 -16.3093 -16.3093 -16.2265 -16.2265 -16.1825 -16.1825 -16.1726 -16.1726 -9.9214 -9.9214 -9.9184 -9.9184 -9.8789 -9.8789 -3.2075 -3.2075 0.6479 0.6479 0.6879 0.6879 0.8917 0.8917 1.1466 1.1466 1.5698 1.5698 1.6404 1.6404 1.7158 1.7158 2.4828 2.4828 2.8375 2.8375 4.2599 4.2599 4.3660 4.3660 4.4963 4.4963 9.0120 9.0120 9.0145 9.0145 9.0855 9.0855 9.4528 9.4528 9.5628 9.5628 9.6105 9.6106 k = 0.5000 0.5000 0.2407 ( 8296 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6780 -16.6780 -16.6739 -16.6739 -16.6471 -16.6471 -16.3681 -16.3681 -16.3207 -16.3207 -16.3096 -16.3096 -16.2276 -16.2276 -16.1814 -16.1814 -16.1726 -16.1726 -9.9173 -9.9173 -9.9143 -9.9143 -9.8788 -9.8788 -3.1982 -3.1982 0.6299 0.6299 0.6647 0.6647 0.8637 0.8637 1.1255 1.1255 1.5625 1.5625 1.6454 1.6454 1.7115 1.7115 2.5196 2.5196 2.8344 2.8344 4.2646 4.2646 4.3725 4.3725 4.4878 4.4878 9.0244 9.0244 9.0272 9.0272 9.0944 9.0944 9.4481 9.4481 9.5952 9.5952 9.6388 9.6388 k = 0.5000 0.5000 0.2593 ( 8300 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6784 -16.6784 -16.6748 -16.6748 -16.6469 -16.6469 -16.3696 -16.3696 -16.3196 -16.3196 -16.3099 -16.3099 -16.2287 -16.2287 -16.1803 -16.1803 -16.1726 -16.1726 -9.9132 -9.9132 -9.9101 -9.9101 -9.8787 -9.8787 -3.1889 -3.1889 0.6115 0.6115 0.6414 0.6414 0.8362 0.8362 1.1048 1.1048 1.5562 1.5562 1.6501 1.6501 1.7073 1.7073 2.5551 2.5551 2.8313 2.8313 4.2689 4.2689 4.3788 4.3788 4.4792 4.4792 9.0394 9.0394 9.0424 9.0424 9.1045 9.1045 9.4489 9.4489 9.6285 9.6286 9.6678 9.6684 k = 0.5000 0.5000 0.2778 ( 8308 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6788 -16.6788 -16.6756 -16.6756 -16.6467 -16.6467 -16.3710 -16.3710 -16.3185 -16.3185 -16.3102 -16.3102 -16.2297 -16.2297 -16.1793 -16.1793 -16.1726 -16.1726 -9.9091 -9.9091 -9.9060 -9.9060 -9.8785 -9.8785 -3.1796 -3.1796 0.5931 0.5931 0.6183 0.6183 0.8097 0.8097 1.0847 1.0847 1.5507 1.5507 1.6544 1.6544 1.7034 1.7034 2.5891 2.5891 2.8283 2.8283 4.2727 4.2727 4.3846 4.3846 4.4709 4.4709 9.0567 9.0567 9.0599 9.0599 9.1158 9.1158 9.4551 9.4551 9.6623 9.6627 9.6978 9.6998 k = 0.5000 0.5000 0.2963 ( 8308 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6791 -16.6791 -16.6765 -16.6765 -16.6465 -16.6465 -16.3723 -16.3723 -16.3176 -16.3176 -16.3105 -16.3105 -16.2306 -16.2306 -16.1783 -16.1783 -16.1726 -16.1726 -9.9050 -9.9050 -9.9020 -9.9020 -9.8784 -9.8784 -3.1703 -3.1703 0.5749 0.5749 0.5957 0.5957 0.7843 0.7843 1.0655 1.0655 1.5460 1.5460 1.6584 1.6584 1.6996 1.6996 2.6214 2.6214 2.8253 2.8253 4.2759 4.2759 4.3901 4.3901 4.4629 4.4629 9.0759 9.0759 9.0793 9.0793 9.1283 9.1283 9.4663 9.4663 9.6953 9.6975 9.7255 9.7267 k = 0.5000 0.5000 0.3148 ( 8300 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6795 -16.6795 -16.6772 -16.6772 -16.6463 -16.6463 -16.3735 -16.3735 -16.3167 -16.3167 -16.3108 -16.3108 -16.2315 -16.2315 -16.1773 -16.1773 -16.1726 -16.1726 -9.9011 -9.9011 -9.8981 -9.8981 -9.8782 -9.8782 -3.1614 -3.1614 0.5571 0.5571 0.5741 0.5741 0.7604 0.7604 1.0474 1.0474 1.5419 1.5419 1.6620 1.6620 1.6962 1.6962 2.6517 2.6517 2.8224 2.8224 4.2786 4.2786 4.3951 4.3951 4.4553 4.4553 9.0964 9.0964 9.1001 9.1001 9.1419 9.1419 9.4822 9.4822 9.7169 9.7171 9.7411 9.7501 k = 0.5000 0.5000 0.3333 ( 8312 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6798 -16.6798 -16.6780 -16.6780 -16.6461 -16.6461 -16.3747 -16.3747 -16.3159 -16.3159 -16.3110 -16.3110 -16.2323 -16.2323 -16.1765 -16.1765 -16.1727 -16.1727 -9.8974 -9.8974 -9.8945 -9.8945 -9.8781 -9.8781 -3.1528 -3.1528 0.5401 0.5401 0.5536 0.5536 0.7381 0.7381 1.0306 1.0306 1.5385 1.5385 1.6652 1.6652 1.6930 1.6930 2.6798 2.6798 2.8197 2.8197 4.2808 4.2808 4.3996 4.3996 4.4483 4.4483 9.1179 9.1179 9.1217 9.1217 9.1566 9.1566 9.5025 9.5025 9.7216 9.7216 9.7694 9.7718 k = 0.5000 0.5000 0.3519 ( 8304 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6801 -16.6801 -16.6786 -16.6786 -16.6460 -16.6460 -16.3757 -16.3757 -16.3151 -16.3151 -16.3113 -16.3113 -16.2330 -16.2330 -16.1757 -16.1757 -16.1726 -16.1726 -9.8939 -9.8939 -9.8911 -9.8911 -9.8779 -9.8779 -3.1447 -3.1447 0.5240 0.5240 0.5345 0.5345 0.7177 0.7177 1.0153 1.0153 1.5355 1.5355 1.6681 1.6681 1.6901 1.6901 2.7055 2.7055 2.8172 2.8172 4.2824 4.2824 4.4037 4.4037 4.4420 4.4420 9.1398 9.1398 9.1436 9.1436 9.1721 9.1721 9.5268 9.5268 9.7224 9.7224 9.8037 9.8046 k = 0.5000 0.5000 0.3704 ( 8304 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6804 -16.6804 -16.6793 -16.6793 -16.6458 -16.6458 -16.3766 -16.3766 -16.3145 -16.3145 -16.3115 -16.3115 -16.2337 -16.2337 -16.1750 -16.1750 -16.1727 -16.1727 -9.8907 -9.8907 -9.8880 -9.8880 -9.8777 -9.8777 -3.1372 -3.1372 0.5092 0.5092 0.5170 0.5170 0.6993 0.6993 1.0014 1.0014 1.5330 1.5330 1.6707 1.6707 1.6875 1.6875 2.7286 2.7286 2.8149 2.8149 4.2835 4.2835 4.4072 4.4072 4.4364 4.4364 9.1616 9.1616 9.1653 9.1653 9.1883 9.1883 9.5545 9.5545 9.7213 9.7213 9.8330 9.8362 k = 0.5000 0.5000 0.3889 ( 8292 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6806 -16.6806 -16.6798 -16.6798 -16.6457 -16.6457 -16.3774 -16.3774 -16.3139 -16.3139 -16.3117 -16.3117 -16.2342 -16.2342 -16.1744 -16.1744 -16.1727 -16.1727 -9.8878 -9.8878 -9.8853 -9.8853 -9.8775 -9.8775 -3.1305 -3.1305 0.4958 0.4958 0.5015 0.5015 0.6830 0.6830 0.9893 0.9893 1.5310 1.5310 1.6729 1.6729 1.6852 1.6852 2.7489 2.7489 2.8129 2.8129 4.2841 4.2841 4.4103 4.4103 4.4316 4.4316 9.1826 9.1826 9.1860 9.1860 9.2047 9.2047 9.5851 9.5851 9.7188 9.7188 9.8595 9.8595 k = 0.5000 0.5000 0.4074 ( 8300 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6808 -16.6808 -16.6803 -16.6803 -16.6456 -16.6456 -16.3781 -16.3781 -16.3134 -16.3134 -16.3119 -16.3119 -16.2347 -16.2347 -16.1739 -16.1739 -16.1727 -16.1727 -9.8853 -9.8853 -9.8831 -9.8831 -9.8771 -9.8771 -3.1246 -3.1246 0.4841 0.4841 0.4880 0.4880 0.6691 0.6691 0.9788 0.9788 1.5293 1.5293 1.6747 1.6747 1.6833 1.6833 2.7664 2.7664 2.8111 2.8111 4.2845 4.2845 4.4128 4.4128 4.4275 4.4275 9.2022 9.2022 9.2049 9.2049 9.2210 9.2210 9.6178 9.6178 9.7149 9.7149 9.8803 9.8829 k = 0.5000 0.5000 0.4259 ( 8292 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6810 -16.6810 -16.6806 -16.6806 -16.6455 -16.6455 -16.3787 -16.3787 -16.3130 -16.3130 -16.3120 -16.3120 -16.2351 -16.2351 -16.1734 -16.1734 -16.1726 -16.1726 -9.8832 -9.8832 -9.8814 -9.8814 -9.8766 -9.8766 -3.1197 -3.1197 0.4742 0.4742 0.4767 0.4767 0.6575 0.6575 0.9702 0.9702 1.5279 1.5279 1.6762 1.6762 1.6817 1.6817 2.7808 2.7808 2.8096 2.8096 4.2846 4.2846 4.4149 4.4149 4.4242 4.4242 9.2197 9.2197 9.2216 9.2216 9.2363 9.2363 9.6514 9.6514 9.7100 9.7100 9.8982 9.9062 k = 0.5000 0.5000 0.4444 ( 8288 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6812 -16.6812 -16.6809 -16.6809 -16.6455 -16.6455 -16.3791 -16.3791 -16.3127 -16.3127 -16.3121 -16.3121 -16.2355 -16.2355 -16.1731 -16.1731 -16.1726 -16.1726 -9.8816 -9.8816 -9.8803 -9.8803 -9.8760 -9.8760 -3.1157 -3.1157 0.4664 0.4664 0.4678 0.4678 0.6484 0.6484 0.9634 0.9634 1.5269 1.5269 1.6774 1.6774 1.6805 1.6805 2.7922 2.7922 2.8084 2.8084 4.2846 4.2846 4.4165 4.4165 4.4217 4.4217 9.2344 9.2344 9.2354 9.2354 9.2497 9.2497 9.6840 9.6840 9.7047 9.7047 9.9116 9.9186 k = 0.5000 0.5000 0.4630 ( 8256 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6812 -16.6812 -16.6811 -16.6811 -16.6454 -16.6454 -16.3794 -16.3794 -16.3124 -16.3124 -16.3122 -16.3122 -16.2356 -16.2356 -16.1728 -16.1728 -16.1726 -16.1726 -9.8803 -9.8803 -9.8797 -9.8797 -9.8753 -9.8753 -3.1129 -3.1129 0.4607 0.4607 0.4613 0.4613 0.6419 0.6419 0.9586 0.9586 1.5262 1.5262 1.6782 1.6782 1.6796 1.6796 2.8003 2.8003 2.8076 2.8076 4.2845 4.2845 4.4176 4.4176 4.4199 4.4199 9.2455 9.2455 9.2459 9.2459 9.2601 9.2601 9.7000 9.7000 9.7131 9.7131 9.9228 9.9354 k = 0.5000 0.5000 0.4815 ( 8240 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6813 -16.6813 -16.6813 -16.6813 -16.6454 -16.6454 -16.3796 -16.3796 -16.3123 -16.3123 -16.3122 -16.3122 -16.2358 -16.2358 -16.1727 -16.1727 -16.1726 -16.1726 -9.8796 -9.8796 -9.8795 -9.8795 -9.8749 -9.8749 -3.1111 -3.1111 0.4573 0.4573 0.4574 0.4574 0.6380 0.6380 0.9556 0.9556 1.5257 1.5257 1.6787 1.6787 1.6791 1.6791 2.8053 2.8053 2.8071 2.8071 4.2844 4.2844 4.4183 4.4183 4.4189 4.4189 9.2524 9.2524 9.2525 9.2525 9.2668 9.2668 9.6966 9.6966 9.7340 9.7340 9.9287 9.9304 k = 0.5000 0.5000 0.5000 ( 8240 PWs) bands (ev): -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -35.3623 -16.6813 -16.6813 -16.6813 -16.6813 -16.6454 -16.6454 -16.3796 -16.3796 -16.3122 -16.3122 -16.3122 -16.3122 -16.2358 -16.2358 -16.1726 -16.1726 -16.1726 -16.1726 -9.8794 -9.8794 -9.8794 -9.8794 -9.8747 -9.8747 -3.1106 -3.1106 0.4561 0.4561 0.4561 0.4561 0.6367 0.6367 0.9547 0.9547 1.5256 1.5256 1.6789 1.6789 1.6789 1.6789 2.8069 2.8069 2.8069 2.8069 4.2843 4.2843 4.4185 4.4185 4.4185 4.4185 9.2547 9.2547 9.2547 9.2547 9.2690 9.2690 9.6954 9.6954 9.7418 9.7418 9.9307 9.9325 Writing output data file Ca3AsBr3.save init_run : 0.28s CPU 0.43s WALL ( 1 calls) electrons : 556.05s CPU 562.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 556.05s CPU 562.07s 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 : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 210 calls) cegterg : 536.93s CPU 542.31s WALL ( 1034 calls) Called by sum_band: Called by *egterg: h_psi : 258.37s CPU 261.47s WALL ( 20980 calls) s_psi : 13.46s CPU 13.36s WALL ( 20980 calls) g_psi : 0.93s CPU 0.79s WALL ( 19736 calls) cdiaghg : 201.02s CPU 203.86s WALL ( 19946 calls) cegterg:over : 25.86s CPU 25.54s WALL ( 19736 calls) cegterg:upda : 30.38s CPU 30.29s WALL ( 19736 calls) cegterg:last : 9.04s CPU 9.01s WALL ( 1787 calls) cdiaghg:chol : 11.79s CPU 11.79s WALL ( 19946 calls) cdiaghg:inve : 7.92s CPU 8.24s WALL ( 19946 calls) cdiaghg:para : 12.92s CPU 13.49s WALL ( 39892 calls) Called by h_psi: h_psi:vloc : 226.10s CPU 228.73s WALL ( 20980 calls) h_psi:vnl : 31.20s CPU 31.65s WALL ( 20980 calls) add_vuspsi : 15.20s CPU 15.21s WALL ( 20980 calls) General routines calbec : 15.95s CPU 16.38s WALL ( 20980 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 213.63s CPU 216.28s WALL ( 1430320 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.38s WALL ( 420 calls) Parallel routines fft_scatter : 69.71s CPU 71.13s WALL ( 1430343 calls) PWSCF : 9m36.23s CPU 9m58.60s WALL This run was terminated on: 19:45:28 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=