Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:31:13 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: ./Ti3AlN.save/ 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 43 42 12 1263 1254 196 Max 44 43 13 1267 1265 201 Sum 1549 1541 437 45553 45385 7123 bravais-lattice index = 14 lattice parameter (alat) = 7.7706 a.u. unit-cell volume = 469.1976 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.770553 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 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 atomic species valence mass pseudopotential Al 3.00 26.98150 Al( 1.00) Ti 12.00 47.86700 Ti( 1.00) N 5.00 14.00670 N( 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= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0033333 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0033333 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0033333 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0033333 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0033333 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0033333 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0033333 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0033333 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0033333 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0033333 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033333 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0033333 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0033333 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0033333 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0033333 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0033333 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0033333 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0033333 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0033333 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0033333 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0033333 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0033333 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0033333 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033333 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0033333 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0033333 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0033333 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0033333 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0033333 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0033333 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0033333 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0033333 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0033333 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0033333 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0033333 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0033333 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0033333 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0033333 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0033333 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0033333 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0033333 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0033333 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0033333 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0033333 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0033333 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0033333 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0033333 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0033333 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033333 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0033333 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0033333 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0033333 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0033333 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0033333 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0033333 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0033333 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0033333 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0033333 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0033333 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0033333 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033333 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0033333 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0033333 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0033333 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0033333 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0033333 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0033333 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0033333 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0033333 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0033333 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0033333 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0033333 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0033333 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0033333 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0033333 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0033333 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0033333 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0033333 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0033333 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0033333 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0033333 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0033333 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0033333 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0033333 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0033333 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0033333 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0033333 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0033333 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0033333 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0033333 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0033333 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0033333 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0033333 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033333 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0033333 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0033333 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0033333 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0033333 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0033333 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0033333 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0033333 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0033333 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0033333 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0033333 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033333 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0033333 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0033333 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0033333 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0033333 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0033333 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0033333 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0033333 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0033333 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0033333 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0033333 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033333 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0033333 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0033333 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0033333 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0033333 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0033333 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0033333 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0033333 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0033333 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0033333 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 138) = ( 0.0074627 0.0074627 0.0074627), wk = 0.0033333 k( 139) = ( 0.0149254 0.0149254 0.0149254), wk = 0.0033333 k( 140) = ( 0.0223881 0.0223881 0.0223881), wk = 0.0033333 k( 141) = ( 0.0298507 0.0298507 0.0298507), wk = 0.0033333 k( 142) = ( 0.0373134 0.0373134 0.0373134), wk = 0.0033333 k( 143) = ( 0.0447761 0.0447761 0.0447761), wk = 0.0033333 k( 144) = ( 0.0522388 0.0522388 0.0522388), wk = 0.0033333 k( 145) = ( 0.0597015 0.0597015 0.0597015), wk = 0.0033333 k( 146) = ( 0.0671642 0.0671642 0.0671642), wk = 0.0033333 k( 147) = ( 0.0746269 0.0746269 0.0746269), wk = 0.0033333 k( 148) = ( 0.0820895 0.0820895 0.0820895), wk = 0.0033333 k( 149) = ( 0.0895522 0.0895522 0.0895522), wk = 0.0033333 k( 150) = ( 0.0970149 0.0970149 0.0970149), wk = 0.0033333 k( 151) = ( 0.1044776 0.1044776 0.1044776), wk = 0.0033333 k( 152) = ( 0.1119403 0.1119403 0.1119403), wk = 0.0033333 k( 153) = ( 0.1194030 0.1194030 0.1194030), wk = 0.0033333 k( 154) = ( 0.1268657 0.1268657 0.1268657), wk = 0.0033333 k( 155) = ( 0.1343284 0.1343284 0.1343284), wk = 0.0033333 k( 156) = ( 0.1417910 0.1417910 0.1417910), wk = 0.0033333 k( 157) = ( 0.1492537 0.1492537 0.1492537), wk = 0.0033333 k( 158) = ( 0.1567164 0.1567164 0.1567164), wk = 0.0033333 k( 159) = ( 0.1641791 0.1641791 0.1641791), wk = 0.0033333 k( 160) = ( 0.1716418 0.1716418 0.1716418), wk = 0.0033333 k( 161) = ( 0.1791045 0.1791045 0.1791045), wk = 0.0033333 k( 162) = ( 0.1865672 0.1865672 0.1865672), wk = 0.0033333 k( 163) = ( 0.1940299 0.1940298 0.1940298), wk = 0.0033333 k( 164) = ( 0.2014925 0.2014925 0.2014925), wk = 0.0033333 k( 165) = ( 0.2089552 0.2089552 0.2089552), wk = 0.0033333 k( 166) = ( 0.2164179 0.2164179 0.2164179), wk = 0.0033333 k( 167) = ( 0.2238806 0.2238806 0.2238806), wk = 0.0033333 k( 168) = ( 0.2313433 0.2313433 0.2313433), wk = 0.0033333 k( 169) = ( 0.2388060 0.2388060 0.2388060), wk = 0.0033333 k( 170) = ( 0.2462687 0.2462687 0.2462687), wk = 0.0033333 k( 171) = ( 0.2537313 0.2537313 0.2537313), wk = 0.0033333 k( 172) = ( 0.2611940 0.2611940 0.2611940), wk = 0.0033333 k( 173) = ( 0.2686567 0.2686567 0.2686567), wk = 0.0033333 k( 174) = ( 0.2761194 0.2761194 0.2761194), wk = 0.0033333 k( 175) = ( 0.2835821 0.2835821 0.2835821), wk = 0.0033333 k( 176) = ( 0.2910448 0.2910448 0.2910448), wk = 0.0033333 k( 177) = ( 0.2985075 0.2985075 0.2985075), wk = 0.0033333 k( 178) = ( 0.3059701 0.3059701 0.3059701), wk = 0.0033333 k( 179) = ( 0.3134328 0.3134328 0.3134328), wk = 0.0033333 k( 180) = ( 0.3208955 0.3208955 0.3208955), wk = 0.0033333 k( 181) = ( 0.3283582 0.3283582 0.3283582), wk = 0.0033333 k( 182) = ( 0.3358209 0.3358209 0.3358209), wk = 0.0033333 k( 183) = ( 0.3432836 0.3432836 0.3432836), wk = 0.0033333 k( 184) = ( 0.3507463 0.3507463 0.3507463), wk = 0.0033333 k( 185) = ( 0.3582090 0.3582090 0.3582090), wk = 0.0033333 k( 186) = ( 0.3656716 0.3656716 0.3656716), wk = 0.0033333 k( 187) = ( 0.3731343 0.3731343 0.3731343), wk = 0.0033333 k( 188) = ( 0.3805970 0.3805970 0.3805970), wk = 0.0033333 k( 189) = ( 0.3880597 0.3880597 0.3880597), wk = 0.0033333 k( 190) = ( 0.3955224 0.3955224 0.3955224), wk = 0.0033333 k( 191) = ( 0.4029851 0.4029851 0.4029851), wk = 0.0033333 k( 192) = ( 0.4104478 0.4104478 0.4104478), wk = 0.0033333 k( 193) = ( 0.4179104 0.4179104 0.4179104), wk = 0.0033333 k( 194) = ( 0.4253731 0.4253731 0.4253731), wk = 0.0033333 k( 195) = ( 0.4328358 0.4328358 0.4328358), wk = 0.0033333 k( 196) = ( 0.4402985 0.4402985 0.4402985), wk = 0.0033333 k( 197) = ( 0.4477612 0.4477612 0.4477612), wk = 0.0033333 k( 198) = ( 0.4552239 0.4552239 0.4552239), wk = 0.0033333 k( 199) = ( 0.4626866 0.4626866 0.4626866), wk = 0.0033333 k( 200) = ( 0.4701493 0.4701492 0.4701492), wk = 0.0033333 k( 201) = ( 0.4776119 0.4776119 0.4776119), wk = 0.0033333 k( 202) = ( 0.4850746 0.4850746 0.4850746), wk = 0.0033333 k( 203) = ( 0.4925373 0.4925373 0.4925373), wk = 0.0033333 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 206) = ( 0.4909091 0.5000000 0.4909091), wk = 0.0033333 k( 207) = ( 0.4818182 0.5000000 0.4818182), wk = 0.0033333 k( 208) = ( 0.4727273 0.5000000 0.4727273), wk = 0.0033333 k( 209) = ( 0.4636364 0.5000000 0.4636364), wk = 0.0033333 k( 210) = ( 0.4545455 0.5000000 0.4545454), wk = 0.0033333 k( 211) = ( 0.4454546 0.5000000 0.4454545), wk = 0.0033333 k( 212) = ( 0.4363636 0.5000000 0.4363636), wk = 0.0033333 k( 213) = ( 0.4272727 0.5000000 0.4272727), wk = 0.0033333 k( 214) = ( 0.4181818 0.5000000 0.4181818), wk = 0.0033333 k( 215) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0033333 k( 216) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0033333 k( 217) = ( 0.3909091 0.5000000 0.3909091), wk = 0.0033333 k( 218) = ( 0.3818182 0.5000000 0.3818182), wk = 0.0033333 k( 219) = ( 0.3727273 0.5000000 0.3727273), wk = 0.0033333 k( 220) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0033333 k( 221) = ( 0.3545454 0.5000000 0.3545454), wk = 0.0033333 k( 222) = ( 0.3454546 0.5000000 0.3454545), wk = 0.0033333 k( 223) = ( 0.3363636 0.5000000 0.3363636), wk = 0.0033333 k( 224) = ( 0.3272727 0.5000000 0.3272727), wk = 0.0033333 k( 225) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0033333 k( 226) = ( 0.3090909 0.5000000 0.3090909), wk = 0.0033333 k( 227) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0033333 k( 228) = ( 0.2909091 0.5000000 0.2909091), wk = 0.0033333 k( 229) = ( 0.2818182 0.5000000 0.2818182), wk = 0.0033333 k( 230) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0033333 k( 231) = ( 0.2636364 0.5000000 0.2636364), wk = 0.0033333 k( 232) = ( 0.2545455 0.5000000 0.2545454), wk = 0.0033333 k( 233) = ( 0.2454545 0.5000000 0.2454545), wk = 0.0033333 k( 234) = ( 0.2363636 0.5000000 0.2363636), wk = 0.0033333 k( 235) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0033333 k( 236) = ( 0.2181818 0.5000000 0.2181818), wk = 0.0033333 k( 237) = ( 0.2090909 0.5000000 0.2090909), wk = 0.0033333 k( 238) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0033333 k( 239) = ( 0.1909091 0.5000000 0.1909091), wk = 0.0033333 k( 240) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0033333 k( 241) = ( 0.1727273 0.5000000 0.1727273), wk = 0.0033333 k( 242) = ( 0.1636364 0.5000000 0.1636364), wk = 0.0033333 k( 243) = ( 0.1545455 0.5000000 0.1545454), wk = 0.0033333 k( 244) = ( 0.1454545 0.5000000 0.1454545), wk = 0.0033333 k( 245) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0033333 k( 246) = ( 0.1272727 0.5000000 0.1272727), wk = 0.0033333 k( 247) = ( 0.1181818 0.5000000 0.1181818), wk = 0.0033333 k( 248) = ( 0.1090909 0.5000000 0.1090909), wk = 0.0033333 k( 249) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0033333 k( 250) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0033333 k( 251) = ( 0.0818182 0.5000000 0.0818182), wk = 0.0033333 k( 252) = ( 0.0727273 0.5000000 0.0727273), wk = 0.0033333 k( 253) = ( 0.0636364 0.5000000 0.0636364), wk = 0.0033333 k( 254) = ( 0.0545455 0.5000000 0.0545454), wk = 0.0033333 k( 255) = ( 0.0454546 0.5000000 0.0454545), wk = 0.0033333 k( 256) = ( 0.0363636 0.5000000 0.0363636), wk = 0.0033333 k( 257) = ( 0.0272727 0.5000000 0.0272727), wk = 0.0033333 k( 258) = ( 0.0181818 0.5000000 0.0181818), wk = 0.0033333 k( 259) = ( 0.0090909 0.5000000 0.0090909), wk = 0.0033333 k( 260) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 261) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 262) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033333 k( 263) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033333 k( 264) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033333 k( 265) = ( 0.5000000 0.5000000 0.0512820), wk = 0.0033333 k( 266) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033333 k( 267) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033333 k( 268) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033333 k( 269) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033333 k( 270) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033333 k( 271) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033333 k( 272) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033333 k( 273) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033333 k( 274) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033333 k( 275) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033333 k( 276) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033333 k( 277) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033333 k( 278) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033333 k( 279) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033333 k( 280) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033333 k( 281) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033333 k( 282) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033333 k( 283) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033333 k( 284) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033333 k( 285) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033333 k( 286) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033333 k( 287) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033333 k( 288) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033333 k( 289) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033333 k( 290) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033333 k( 291) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033333 k( 292) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033333 k( 293) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033333 k( 294) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033333 k( 295) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033333 k( 296) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033333 k( 297) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033333 k( 298) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033333 k( 299) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033333 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0033333 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0033333 k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0033333 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0033333 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0033333 k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0033333 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0033333 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0033333 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0033333 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0033333 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0033333 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0033333 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0033333 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0033333 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0033333 k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0033333 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0033333 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0033333 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0033333 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0033333 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0033333 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0033333 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0033333 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0033333 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0033333 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0033333 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0033333 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0033333 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0033333 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0033333 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0033333 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0033333 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0033333 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0033333 k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0033333 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0033333 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0033333 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0033333 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0033333 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0033333 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0033333 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0033333 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0033333 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0033333 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0033333 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0033333 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0033333 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0033333 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0033333 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0033333 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0033333 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0033333 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0033333 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0033333 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0033333 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0033333 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0033333 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0033333 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0033333 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0033333 k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0033333 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0033333 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033333 k( 68) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0033333 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0033333 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0033333 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0033333 k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0033333 k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0033333 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0033333 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0033333 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0033333 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0033333 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0033333 k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0033333 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033333 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033333 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0033333 k( 83) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0033333 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0033333 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0033333 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0033333 k( 87) = ( 0.4454546 0.4454546 0.0000000), wk = 0.0033333 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0033333 k( 89) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0033333 k( 90) = ( 0.4181818 0.4181818 0.0000000), wk = 0.0033333 k( 91) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0033333 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0033333 k( 93) = ( 0.3909091 0.3909091 0.0000000), wk = 0.0033333 k( 94) = ( 0.3818182 0.3818182 0.0000000), wk = 0.0033333 k( 95) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0033333 k( 96) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0033333 k( 97) = ( 0.3545454 0.3545454 0.0000000), wk = 0.0033333 k( 98) = ( 0.3454546 0.3454546 0.0000000), wk = 0.0033333 k( 99) = ( 0.3363636 0.3363636 0.0000000), wk = 0.0033333 k( 100) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0033333 k( 101) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0033333 k( 102) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0033333 k( 103) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033333 k( 104) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0033333 k( 105) = ( 0.2818182 0.2818182 0.0000000), wk = 0.0033333 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0033333 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0033333 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0033333 k( 109) = ( 0.2454545 0.2454545 0.0000000), wk = 0.0033333 k( 110) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0033333 k( 111) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0033333 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0033333 k( 113) = ( 0.2090909 0.2090909 0.0000000), wk = 0.0033333 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0033333 k( 115) = ( 0.1909091 0.1909091 0.0000000), wk = 0.0033333 k( 116) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0033333 k( 117) = ( 0.1727273 0.1727273 0.0000000), wk = 0.0033333 k( 118) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0033333 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0033333 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0033333 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0033333 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0033333 k( 123) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0033333 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0033333 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0033333 k( 126) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0033333 k( 127) = ( 0.0818182 0.0818182 0.0000000), wk = 0.0033333 k( 128) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0033333 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0033333 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0033333 k( 131) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0033333 k( 132) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0033333 k( 133) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0033333 k( 134) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0033333 k( 135) = ( 0.0090909 0.0090909 0.0000000), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 138) = ( 0.0074627 0.0074627 0.0074627), wk = 0.0033333 k( 139) = ( 0.0149254 0.0149254 0.0149254), wk = 0.0033333 k( 140) = ( 0.0223881 0.0223881 0.0223881), wk = 0.0033333 k( 141) = ( 0.0298507 0.0298507 0.0298507), wk = 0.0033333 k( 142) = ( 0.0373134 0.0373134 0.0373134), wk = 0.0033333 k( 143) = ( 0.0447761 0.0447761 0.0447761), wk = 0.0033333 k( 144) = ( 0.0522388 0.0522388 0.0522388), wk = 0.0033333 k( 145) = ( 0.0597015 0.0597015 0.0597015), wk = 0.0033333 k( 146) = ( 0.0671642 0.0671642 0.0671642), wk = 0.0033333 k( 147) = ( 0.0746269 0.0746269 0.0746269), wk = 0.0033333 k( 148) = ( 0.0820895 0.0820895 0.0820895), wk = 0.0033333 k( 149) = ( 0.0895522 0.0895522 0.0895522), wk = 0.0033333 k( 150) = ( 0.0970149 0.0970149 0.0970149), wk = 0.0033333 k( 151) = ( 0.1044776 0.1044776 0.1044776), wk = 0.0033333 k( 152) = ( 0.1119403 0.1119403 0.1119403), wk = 0.0033333 k( 153) = ( 0.1194030 0.1194030 0.1194030), wk = 0.0033333 k( 154) = ( 0.1268657 0.1268657 0.1268657), wk = 0.0033333 k( 155) = ( 0.1343284 0.1343284 0.1343284), wk = 0.0033333 k( 156) = ( 0.1417910 0.1417910 0.1417910), wk = 0.0033333 k( 157) = ( 0.1492537 0.1492537 0.1492537), wk = 0.0033333 k( 158) = ( 0.1567164 0.1567164 0.1567164), wk = 0.0033333 k( 159) = ( 0.1641791 0.1641791 0.1641791), wk = 0.0033333 k( 160) = ( 0.1716418 0.1716418 0.1716418), wk = 0.0033333 k( 161) = ( 0.1791045 0.1791045 0.1791045), wk = 0.0033333 k( 162) = ( 0.1865672 0.1865672 0.1865672), wk = 0.0033333 k( 163) = ( 0.1940299 0.1940299 0.1940299), wk = 0.0033333 k( 164) = ( 0.2014925 0.2014925 0.2014925), wk = 0.0033333 k( 165) = ( 0.2089552 0.2089552 0.2089552), wk = 0.0033333 k( 166) = ( 0.2164179 0.2164179 0.2164179), wk = 0.0033333 k( 167) = ( 0.2238806 0.2238806 0.2238806), wk = 0.0033333 k( 168) = ( 0.2313433 0.2313433 0.2313433), wk = 0.0033333 k( 169) = ( 0.2388060 0.2388060 0.2388060), wk = 0.0033333 k( 170) = ( 0.2462687 0.2462687 0.2462687), wk = 0.0033333 k( 171) = ( 0.2537313 0.2537313 0.2537313), wk = 0.0033333 k( 172) = ( 0.2611940 0.2611940 0.2611940), wk = 0.0033333 k( 173) = ( 0.2686567 0.2686567 0.2686567), wk = 0.0033333 k( 174) = ( 0.2761194 0.2761194 0.2761194), wk = 0.0033333 k( 175) = ( 0.2835821 0.2835821 0.2835821), wk = 0.0033333 k( 176) = ( 0.2910448 0.2910448 0.2910448), wk = 0.0033333 k( 177) = ( 0.2985075 0.2985075 0.2985075), wk = 0.0033333 k( 178) = ( 0.3059701 0.3059701 0.3059701), wk = 0.0033333 k( 179) = ( 0.3134328 0.3134328 0.3134328), wk = 0.0033333 k( 180) = ( 0.3208955 0.3208955 0.3208955), wk = 0.0033333 k( 181) = ( 0.3283582 0.3283582 0.3283582), wk = 0.0033333 k( 182) = ( 0.3358209 0.3358209 0.3358209), wk = 0.0033333 k( 183) = ( 0.3432836 0.3432836 0.3432836), wk = 0.0033333 k( 184) = ( 0.3507463 0.3507463 0.3507463), wk = 0.0033333 k( 185) = ( 0.3582090 0.3582090 0.3582090), wk = 0.0033333 k( 186) = ( 0.3656716 0.3656716 0.3656716), wk = 0.0033333 k( 187) = ( 0.3731343 0.3731343 0.3731343), wk = 0.0033333 k( 188) = ( 0.3805970 0.3805970 0.3805970), wk = 0.0033333 k( 189) = ( 0.3880597 0.3880597 0.3880597), wk = 0.0033333 k( 190) = ( 0.3955224 0.3955224 0.3955224), wk = 0.0033333 k( 191) = ( 0.4029851 0.4029851 0.4029851), wk = 0.0033333 k( 192) = ( 0.4104478 0.4104478 0.4104478), wk = 0.0033333 k( 193) = ( 0.4179104 0.4179104 0.4179104), wk = 0.0033333 k( 194) = ( 0.4253731 0.4253731 0.4253731), wk = 0.0033333 k( 195) = ( 0.4328358 0.4328358 0.4328358), wk = 0.0033333 k( 196) = ( 0.4402985 0.4402985 0.4402985), wk = 0.0033333 k( 197) = ( 0.4477612 0.4477612 0.4477612), wk = 0.0033333 k( 198) = ( 0.4552239 0.4552239 0.4552239), wk = 0.0033333 k( 199) = ( 0.4626866 0.4626866 0.4626866), wk = 0.0033333 k( 200) = ( 0.4701493 0.4701493 0.4701493), wk = 0.0033333 k( 201) = ( 0.4776119 0.4776119 0.4776119), wk = 0.0033333 k( 202) = ( 0.4850746 0.4850746 0.4850746), wk = 0.0033333 k( 203) = ( 0.4925373 0.4925373 0.4925373), wk = 0.0033333 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 206) = ( 0.4909091 0.5000000 0.4909091), wk = 0.0033333 k( 207) = ( 0.4818182 0.5000000 0.4818182), wk = 0.0033333 k( 208) = ( 0.4727273 0.5000000 0.4727273), wk = 0.0033333 k( 209) = ( 0.4636364 0.5000000 0.4636364), wk = 0.0033333 k( 210) = ( 0.4545455 0.5000000 0.4545455), wk = 0.0033333 k( 211) = ( 0.4454546 0.5000000 0.4454546), wk = 0.0033333 k( 212) = ( 0.4363636 0.5000000 0.4363636), wk = 0.0033333 k( 213) = ( 0.4272727 0.5000000 0.4272727), wk = 0.0033333 k( 214) = ( 0.4181818 0.5000000 0.4181818), wk = 0.0033333 k( 215) = ( 0.4090909 0.5000000 0.4090909), wk = 0.0033333 k( 216) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0033333 k( 217) = ( 0.3909091 0.5000000 0.3909091), wk = 0.0033333 k( 218) = ( 0.3818182 0.5000000 0.3818182), wk = 0.0033333 k( 219) = ( 0.3727273 0.5000000 0.3727273), wk = 0.0033333 k( 220) = ( 0.3636364 0.5000000 0.3636364), wk = 0.0033333 k( 221) = ( 0.3545454 0.5000000 0.3545454), wk = 0.0033333 k( 222) = ( 0.3454546 0.5000000 0.3454546), wk = 0.0033333 k( 223) = ( 0.3363636 0.5000000 0.3363636), wk = 0.0033333 k( 224) = ( 0.3272727 0.5000000 0.3272727), wk = 0.0033333 k( 225) = ( 0.3181818 0.5000000 0.3181818), wk = 0.0033333 k( 226) = ( 0.3090909 0.5000000 0.3090909), wk = 0.0033333 k( 227) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0033333 k( 228) = ( 0.2909091 0.5000000 0.2909091), wk = 0.0033333 k( 229) = ( 0.2818182 0.5000000 0.2818182), wk = 0.0033333 k( 230) = ( 0.2727273 0.5000000 0.2727273), wk = 0.0033333 k( 231) = ( 0.2636364 0.5000000 0.2636364), wk = 0.0033333 k( 232) = ( 0.2545455 0.5000000 0.2545455), wk = 0.0033333 k( 233) = ( 0.2454545 0.5000000 0.2454545), wk = 0.0033333 k( 234) = ( 0.2363636 0.5000000 0.2363636), wk = 0.0033333 k( 235) = ( 0.2272727 0.5000000 0.2272727), wk = 0.0033333 k( 236) = ( 0.2181818 0.5000000 0.2181818), wk = 0.0033333 k( 237) = ( 0.2090909 0.5000000 0.2090909), wk = 0.0033333 k( 238) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0033333 k( 239) = ( 0.1909091 0.5000000 0.1909091), wk = 0.0033333 k( 240) = ( 0.1818182 0.5000000 0.1818182), wk = 0.0033333 k( 241) = ( 0.1727273 0.5000000 0.1727273), wk = 0.0033333 k( 242) = ( 0.1636364 0.5000000 0.1636364), wk = 0.0033333 k( 243) = ( 0.1545455 0.5000000 0.1545455), wk = 0.0033333 k( 244) = ( 0.1454545 0.5000000 0.1454545), wk = 0.0033333 k( 245) = ( 0.1363636 0.5000000 0.1363636), wk = 0.0033333 k( 246) = ( 0.1272727 0.5000000 0.1272727), wk = 0.0033333 k( 247) = ( 0.1181818 0.5000000 0.1181818), wk = 0.0033333 k( 248) = ( 0.1090909 0.5000000 0.1090909), wk = 0.0033333 k( 249) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0033333 k( 250) = ( 0.0909091 0.5000000 0.0909091), wk = 0.0033333 k( 251) = ( 0.0818182 0.5000000 0.0818182), wk = 0.0033333 k( 252) = ( 0.0727273 0.5000000 0.0727273), wk = 0.0033333 k( 253) = ( 0.0636364 0.5000000 0.0636364), wk = 0.0033333 k( 254) = ( 0.0545455 0.5000000 0.0545455), wk = 0.0033333 k( 255) = ( 0.0454546 0.5000000 0.0454546), wk = 0.0033333 k( 256) = ( 0.0363636 0.5000000 0.0363636), wk = 0.0033333 k( 257) = ( 0.0272727 0.5000000 0.0272727), wk = 0.0033333 k( 258) = ( 0.0181818 0.5000000 0.0181818), wk = 0.0033333 k( 259) = ( 0.0090909 0.5000000 0.0090909), wk = 0.0033333 k( 260) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 261) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033333 k( 262) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0033333 k( 263) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0033333 k( 264) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033333 k( 265) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0033333 k( 266) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0033333 k( 267) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033333 k( 268) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0033333 k( 269) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0033333 k( 270) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033333 k( 271) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0033333 k( 272) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0033333 k( 273) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033333 k( 274) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033333 k( 275) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0033333 k( 276) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033333 k( 277) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0033333 k( 278) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0033333 k( 279) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033333 k( 280) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0033333 k( 281) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0033333 k( 282) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033333 k( 283) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0033333 k( 284) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0033333 k( 285) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033333 k( 286) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0033333 k( 287) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033333 k( 288) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033333 k( 289) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0033333 k( 290) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0033333 k( 291) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033333 k( 292) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0033333 k( 293) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0033333 k( 294) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033333 k( 295) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0033333 k( 296) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0033333 k( 297) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033333 k( 298) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0033333 k( 299) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0033333 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033333 Dense grid: 45553 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 45385 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 320, 52) NL pseudopotentials 0.37 Mb ( 160, 150) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1267) G-vector shells 0.00 Mb ( 302) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 320, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.24 Mb ( 150, 2, 52) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Ti3AlN.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 36 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 8.1 secs Computing kpt #: 8 total cpu time spent up to now is 9.0 secs Computing kpt #: 9 total cpu time spent up to now is 9.9 secs Computing kpt #: 10 total cpu time spent up to now is 10.8 secs Computing kpt #: 11 total cpu time spent up to now is 11.7 secs Computing kpt #: 12 total cpu time spent up to now is 12.6 secs Computing kpt #: 13 total cpu time spent up to now is 13.5 secs Computing kpt #: 14 total cpu time spent up to now is 14.3 secs Computing kpt #: 15 total cpu time spent up to now is 15.2 secs Computing kpt #: 16 total cpu time spent up to now is 16.0 secs Computing kpt #: 17 total cpu time spent up to now is 16.9 secs Computing kpt #: 18 total cpu time spent up to now is 17.7 secs Computing kpt #: 19 total cpu time spent up to now is 18.6 secs Computing kpt #: 20 total cpu time spent up to now is 19.5 secs Computing kpt #: 21 total cpu time spent up to now is 20.3 secs Computing kpt #: 22 total cpu time spent up to now is 21.1 secs Computing kpt #: 23 total cpu time spent up to now is 22.0 secs Computing kpt #: 24 total cpu time spent up to now is 22.8 secs Computing kpt #: 25 total cpu time spent up to now is 23.7 secs Computing kpt #: 26 total cpu time spent up to now is 24.5 secs Computing kpt #: 27 total cpu time spent up to now is 25.4 secs Computing kpt #: 28 total cpu time spent up to now is 26.3 secs Computing kpt #: 29 total cpu time spent up to now is 27.1 secs Computing kpt #: 30 total cpu time spent up to now is 28.0 secs Computing kpt #: 31 total cpu time spent up to now is 28.9 secs Computing kpt #: 32 total cpu time spent up to now is 29.8 secs Computing kpt #: 33 total cpu time spent up to now is 30.8 secs Computing kpt #: 34 total cpu time spent up to now is 31.7 secs Computing kpt #: 35 total cpu time spent up to now is 32.7 secs Computing kpt #: 36 total cpu time spent up to now is 33.7 secs Computing kpt #: 37 total cpu time spent up to now is 34.8 secs Computing kpt #: 38 total cpu time spent up to now is 35.9 secs Computing kpt #: 39 total cpu time spent up to now is 36.9 secs Computing kpt #: 40 total cpu time spent up to now is 37.9 secs Computing kpt #: 41 total cpu time spent up to now is 38.8 secs Computing kpt #: 42 total cpu time spent up to now is 39.9 secs Computing kpt #: 43 total cpu time spent up to now is 41.0 secs Computing kpt #: 44 total cpu time spent up to now is 41.9 secs Computing kpt #: 45 total cpu time spent up to now is 43.0 secs Computing kpt #: 46 total cpu time spent up to now is 44.0 secs Computing kpt #: 47 total cpu time spent up to now is 45.1 secs Computing kpt #: 48 total cpu time spent up to now is 46.3 secs Computing kpt #: 49 total cpu time spent up to now is 47.3 secs Computing kpt #: 50 total cpu time spent up to now is 48.3 secs Computing kpt #: 51 total cpu time spent up to now is 49.3 secs Computing kpt #: 52 total cpu time spent up to now is 50.3 secs Computing kpt #: 53 total cpu time spent up to now is 51.4 secs Computing kpt #: 54 total cpu time spent up to now is 52.3 secs Computing kpt #: 55 total cpu time spent up to now is 53.4 secs Computing kpt #: 56 total cpu time spent up to now is 54.4 secs Computing kpt #: 57 total cpu time spent up to now is 55.4 secs Computing kpt #: 58 total cpu time spent up to now is 56.4 secs Computing kpt #: 59 total cpu time spent up to now is 57.4 secs Computing kpt #: 60 total cpu time spent up to now is 58.5 secs Computing kpt #: 61 total cpu time spent up to now is 59.6 secs Computing kpt #: 62 total cpu time spent up to now is 60.5 secs Computing kpt #: 63 total cpu time spent up to now is 61.6 secs Computing kpt #: 64 total cpu time spent up to now is 62.8 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.6 secs Computing kpt #: 66 total cpu time spent up to now is 65.9 secs Computing kpt #: 67 total cpu time spent up to now is 67.2 secs Computing kpt #: 68 total cpu time spent up to now is 68.5 secs Computing kpt #: 69 total cpu time spent up to now is 69.7 secs Computing kpt #: 70 total cpu time spent up to now is 70.9 secs Computing kpt #: 71 total cpu time spent up to now is 72.0 secs Computing kpt #: 72 total cpu time spent up to now is 73.1 secs Computing kpt #: 73 total cpu time spent up to now is 74.2 secs Computing kpt #: 74 total cpu time spent up to now is 75.3 secs Computing kpt #: 75 total cpu time spent up to now is 76.4 secs Computing kpt #: 76 total cpu time spent up to now is 77.5 secs Computing kpt #: 77 total cpu time spent up to now is 78.6 secs Computing kpt #: 78 total cpu time spent up to now is 79.7 secs Computing kpt #: 79 total cpu time spent up to now is 80.9 secs Computing kpt #: 80 total cpu time spent up to now is 82.0 secs Computing kpt #: 81 total cpu time spent up to now is 83.2 secs Computing kpt #: 82 total cpu time spent up to now is 84.3 secs Computing kpt #: 83 total cpu time spent up to now is 85.4 secs Computing kpt #: 84 total cpu time spent up to now is 86.5 secs Computing kpt #: 85 total cpu time spent up to now is 87.6 secs Computing kpt #: 86 total cpu time spent up to now is 88.7 secs Computing kpt #: 87 total cpu time spent up to now is 89.8 secs Computing kpt #: 88 total cpu time spent up to now is 90.9 secs Computing kpt #: 89 total cpu time spent up to now is 92.1 secs Computing kpt #: 90 total cpu time spent up to now is 93.2 secs Computing kpt #: 91 total cpu time spent up to now is 94.3 secs Computing kpt #: 92 total cpu time spent up to now is 95.4 secs Computing kpt #: 93 total cpu time spent up to now is 96.5 secs Computing kpt #: 94 total cpu time spent up to now is 97.8 secs Computing kpt #: 95 total cpu time spent up to now is 99.1 secs Computing kpt #: 96 total cpu time spent up to now is 100.5 secs Computing kpt #: 97 total cpu time spent up to now is 102.0 secs Computing kpt #: 98 total cpu time spent up to now is 103.5 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.3 secs Computing kpt #: 100 total cpu time spent up to now is 106.4 secs Computing kpt #: 101 total cpu time spent up to now is 107.4 secs Computing kpt #: 102 total cpu time spent up to now is 108.4 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.2 secs Computing kpt #: 104 total cpu time spent up to now is 111.5 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.3 secs Computing kpt #: 106 total cpu time spent up to now is 114.9 secs Computing kpt #: 107 total cpu time spent up to now is 116.4 secs Computing kpt #: 108 total cpu time spent up to now is 117.6 secs Computing kpt #: 109 total cpu time spent up to now is 118.9 secs Computing kpt #: 110 total cpu time spent up to now is 120.2 secs Computing kpt #: 111 total cpu time spent up to now is 121.3 secs Computing kpt #: 112 total cpu time spent up to now is 122.6 secs Computing kpt #: 113 total cpu time spent up to now is 123.9 secs Computing kpt #: 114 total cpu time spent up to now is 125.1 secs Computing kpt #: 115 total cpu time spent up to now is 126.3 secs Computing kpt #: 116 total cpu time spent up to now is 127.4 secs Computing kpt #: 117 total cpu time spent up to now is 128.4 secs Computing kpt #: 118 total cpu time spent up to now is 129.4 secs Computing kpt #: 119 total cpu time spent up to now is 130.5 secs Computing kpt #: 120 total cpu time spent up to now is 131.5 secs Computing kpt #: 121 total cpu time spent up to now is 132.4 secs Computing kpt #: 122 total cpu time spent up to now is 133.3 secs Computing kpt #: 123 total cpu time spent up to now is 134.3 secs Computing kpt #: 124 total cpu time spent up to now is 135.2 secs Computing kpt #: 125 total cpu time spent up to now is 136.2 secs Computing kpt #: 126 total cpu time spent up to now is 137.1 secs Computing kpt #: 127 total cpu time spent up to now is 138.1 secs Computing kpt #: 128 total cpu time spent up to now is 139.0 secs Computing kpt #: 129 total cpu time spent up to now is 139.9 secs Computing kpt #: 130 total cpu time spent up to now is 140.8 secs Computing kpt #: 131 total cpu time spent up to now is 141.8 secs Computing kpt #: 132 total cpu time spent up to now is 142.7 secs Computing kpt #: 133 total cpu time spent up to now is 143.6 secs Computing kpt #: 134 total cpu time spent up to now is 144.6 secs Computing kpt #: 135 total cpu time spent up to now is 145.5 secs Computing kpt #: 136 total cpu time spent up to now is 146.5 secs Computing kpt #: 137 total cpu time spent up to now is 147.5 secs Computing kpt #: 138 total cpu time spent up to now is 148.5 secs Computing kpt #: 139 total cpu time spent up to now is 149.5 secs Computing kpt #: 140 total cpu time spent up to now is 150.5 secs Computing kpt #: 141 total cpu time spent up to now is 151.5 secs Computing kpt #: 142 total cpu time spent up to now is 152.5 secs Computing kpt #: 143 total cpu time spent up to now is 153.5 secs Computing kpt #: 144 total cpu time spent up to now is 154.5 secs Computing kpt #: 145 total cpu time spent up to now is 155.5 secs Computing kpt #: 146 total cpu time spent up to now is 156.5 secs Computing kpt #: 147 total cpu time spent up to now is 157.6 secs Computing kpt #: 148 total cpu time spent up to now is 158.7 secs Computing kpt #: 149 total cpu time spent up to now is 159.8 secs Computing kpt #: 150 total cpu time spent up to now is 160.9 secs Computing kpt #: 151 total cpu time spent up to now is 162.0 secs Computing kpt #: 152 total cpu time spent up to now is 163.2 secs Computing kpt #: 153 total cpu time spent up to now is 164.3 secs Computing kpt #: 154 total cpu time spent up to now is 165.3 secs Computing kpt #: 155 total cpu time spent up to now is 167.7 secs Computing kpt #: 156 total cpu time spent up to now is 168.9 secs Computing kpt #: 157 total cpu time spent up to now is 170.1 secs Computing kpt #: 158 total cpu time spent up to now is 171.3 secs Computing kpt #: 159 total cpu time spent up to now is 172.5 secs Computing kpt #: 160 total cpu time spent up to now is 173.7 secs Computing kpt #: 161 total cpu time spent up to now is 174.9 secs Computing kpt #: 162 total cpu time spent up to now is 176.0 secs Computing kpt #: 163 total cpu time spent up to now is 177.7 secs Computing kpt #: 164 total cpu time spent up to now is 179.2 secs Computing kpt #: 165 total cpu time spent up to now is 180.4 secs Computing kpt #: 166 total cpu time spent up to now is 181.7 secs Computing kpt #: 167 total cpu time spent up to now is 183.3 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.1 secs Computing kpt #: 169 total cpu time spent up to now is 186.5 secs Computing kpt #: 170 total cpu time spent up to now is 188.0 secs Computing kpt #: 171 total cpu time spent up to now is 189.1 secs Computing kpt #: 172 total cpu time spent up to now is 190.4 secs Computing kpt #: 173 total cpu time spent up to now is 191.5 secs Computing kpt #: 174 total cpu time spent up to now is 192.6 secs Computing kpt #: 175 total cpu time spent up to now is 193.7 secs Computing kpt #: 176 total cpu time spent up to now is 194.7 secs Computing kpt #: 177 total cpu time spent up to now is 195.7 secs Computing kpt #: 178 total cpu time spent up to now is 196.8 secs Computing kpt #: 179 total cpu time spent up to now is 197.8 secs Computing kpt #: 180 total cpu time spent up to now is 198.7 secs Computing kpt #: 181 total cpu time spent up to now is 199.7 secs Computing kpt #: 182 total cpu time spent up to now is 200.8 secs Computing kpt #: 183 total cpu time spent up to now is 201.9 secs Computing kpt #: 184 total cpu time spent up to now is 202.9 secs Computing kpt #: 185 total cpu time spent up to now is 203.7 secs Computing kpt #: 186 total cpu time spent up to now is 204.7 secs Computing kpt #: 187 total cpu time spent up to now is 205.5 secs Computing kpt #: 188 total cpu time spent up to now is 206.4 secs Computing kpt #: 189 total cpu time spent up to now is 207.3 secs Computing kpt #: 190 total cpu time spent up to now is 208.3 secs Computing kpt #: 191 total cpu time spent up to now is 209.2 secs Computing kpt #: 192 total cpu time spent up to now is 210.0 secs Computing kpt #: 193 total cpu time spent up to now is 210.9 secs Computing kpt #: 194 total cpu time spent up to now is 211.8 secs Computing kpt #: 195 total cpu time spent up to now is 212.7 secs Computing kpt #: 196 total cpu time spent up to now is 213.5 secs Computing kpt #: 197 total cpu time spent up to now is 214.3 secs Computing kpt #: 198 total cpu time spent up to now is 215.2 secs Computing kpt #: 199 total cpu time spent up to now is 216.0 secs Computing kpt #: 200 total cpu time spent up to now is 216.9 secs Computing kpt #: 201 total cpu time spent up to now is 217.8 secs Computing kpt #: 202 total cpu time spent up to now is 218.6 secs Computing kpt #: 203 total cpu time spent up to now is 219.5 secs Computing kpt #: 204 total cpu time spent up to now is 220.3 secs Computing kpt #: 205 total cpu time spent up to now is 221.1 secs Computing kpt #: 206 total cpu time spent up to now is 222.0 secs Computing kpt #: 207 total cpu time spent up to now is 222.9 secs Computing kpt #: 208 total cpu time spent up to now is 223.8 secs Computing kpt #: 209 total cpu time spent up to now is 224.6 secs Computing kpt #: 210 total cpu time spent up to now is 225.5 secs Computing kpt #: 211 total cpu time spent up to now is 226.4 secs Computing kpt #: 212 total cpu time spent up to now is 227.2 secs Computing kpt #: 213 total cpu time spent up to now is 228.1 secs Computing kpt #: 214 total cpu time spent up to now is 229.0 secs Computing kpt #: 215 total cpu time spent up to now is 229.8 secs Computing kpt #: 216 total cpu time spent up to now is 230.7 secs Computing kpt #: 217 total cpu time spent up to now is 231.6 secs Computing kpt #: 218 total cpu time spent up to now is 232.6 secs Computing kpt #: 219 total cpu time spent up to now is 233.5 secs Computing kpt #: 220 total cpu time spent up to now is 234.4 secs Computing kpt #: 221 total cpu time spent up to now is 235.3 secs Computing kpt #: 222 total cpu time spent up to now is 236.2 secs Computing kpt #: 223 total cpu time spent up to now is 237.1 secs Computing kpt #: 224 total cpu time spent up to now is 238.1 secs Computing kpt #: 225 total cpu time spent up to now is 239.0 secs Computing kpt #: 226 total cpu time spent up to now is 239.9 secs Computing kpt #: 227 total cpu time spent up to now is 240.8 secs Computing kpt #: 228 total cpu time spent up to now is 241.7 secs Computing kpt #: 229 total cpu time spent up to now is 242.7 secs Computing kpt #: 230 total cpu time spent up to now is 243.6 secs Computing kpt #: 231 total cpu time spent up to now is 244.6 secs Computing kpt #: 232 total cpu time spent up to now is 245.6 secs Computing kpt #: 233 total cpu time spent up to now is 246.7 secs Computing kpt #: 234 total cpu time spent up to now is 247.8 secs Computing kpt #: 235 total cpu time spent up to now is 249.0 secs Computing kpt #: 236 total cpu time spent up to now is 250.3 secs Computing kpt #: 237 total cpu time spent up to now is 251.7 secs Computing kpt #: 238 total cpu time spent up to now is 253.2 secs Computing kpt #: 239 total cpu time spent up to now is 254.8 secs Computing kpt #: 240 total cpu time spent up to now is 256.1 secs Computing kpt #: 241 total cpu time spent up to now is 257.4 secs Computing kpt #: 242 total cpu time spent up to now is 258.6 secs Computing kpt #: 243 total cpu time spent up to now is 259.6 secs Computing kpt #: 244 total cpu time spent up to now is 260.7 secs Computing kpt #: 245 total cpu time spent up to now is 261.8 secs Computing kpt #: 246 total cpu time spent up to now is 262.9 secs Computing kpt #: 247 total cpu time spent up to now is 264.0 secs Computing kpt #: 248 total cpu time spent up to now is 265.1 secs Computing kpt #: 249 total cpu time spent up to now is 266.5 secs Computing kpt #: 250 total cpu time spent up to now is 267.6 secs Computing kpt #: 251 total cpu time spent up to now is 268.7 secs Computing kpt #: 252 total cpu time spent up to now is 269.8 secs Computing kpt #: 253 total cpu time spent up to now is 270.9 secs Computing kpt #: 254 total cpu time spent up to now is 272.0 secs Computing kpt #: 255 total cpu time spent up to now is 273.0 secs Computing kpt #: 256 total cpu time spent up to now is 274.0 secs Computing kpt #: 257 total cpu time spent up to now is 275.0 secs Computing kpt #: 258 total cpu time spent up to now is 276.0 secs Computing kpt #: 259 total cpu time spent up to now is 277.1 secs Computing kpt #: 260 total cpu time spent up to now is 278.1 secs Computing kpt #: 261 total cpu time spent up to now is 279.3 secs Computing kpt #: 262 total cpu time spent up to now is 280.3 secs Computing kpt #: 263 total cpu time spent up to now is 281.4 secs Computing kpt #: 264 total cpu time spent up to now is 282.6 secs Computing kpt #: 265 total cpu time spent up to now is 283.7 secs Computing kpt #: 266 total cpu time spent up to now is 284.7 secs Computing kpt #: 267 total cpu time spent up to now is 285.8 secs Computing kpt #: 268 total cpu time spent up to now is 286.9 secs Computing kpt #: 269 total cpu time spent up to now is 287.9 secs Computing kpt #: 270 total cpu time spent up to now is 288.8 secs Computing kpt #: 271 total cpu time spent up to now is 289.9 secs Computing kpt #: 272 total cpu time spent up to now is 290.9 secs Computing kpt #: 273 total cpu time spent up to now is 291.8 secs Computing kpt #: 274 total cpu time spent up to now is 292.8 secs Computing kpt #: 275 total cpu time spent up to now is 293.8 secs Computing kpt #: 276 total cpu time spent up to now is 294.7 secs Computing kpt #: 277 total cpu time spent up to now is 295.6 secs Computing kpt #: 278 total cpu time spent up to now is 296.6 secs Computing kpt #: 279 total cpu time spent up to now is 297.5 secs Computing kpt #: 280 total cpu time spent up to now is 298.4 secs Computing kpt #: 281 total cpu time spent up to now is 299.3 secs Computing kpt #: 282 total cpu time spent up to now is 300.2 secs Computing kpt #: 283 total cpu time spent up to now is 301.1 secs Computing kpt #: 284 total cpu time spent up to now is 302.0 secs Computing kpt #: 285 total cpu time spent up to now is 302.9 secs Computing kpt #: 286 total cpu time spent up to now is 303.8 secs Computing kpt #: 287 total cpu time spent up to now is 304.6 secs Computing kpt #: 288 total cpu time spent up to now is 305.5 secs Computing kpt #: 289 total cpu time spent up to now is 306.3 secs Computing kpt #: 290 total cpu time spent up to now is 307.2 secs Computing kpt #: 291 total cpu time spent up to now is 308.0 secs Computing kpt #: 292 total cpu time spent up to now is 308.8 secs Computing kpt #: 293 total cpu time spent up to now is 309.7 secs Computing kpt #: 294 total cpu time spent up to now is 310.5 secs Computing kpt #: 295 total cpu time spent up to now is 311.4 secs Computing kpt #: 296 total cpu time spent up to now is 312.2 secs Computing kpt #: 297 total cpu time spent up to now is 313.1 secs Computing kpt #: 298 total cpu time spent up to now is 314.0 secs Computing kpt #: 299 total cpu time spent up to now is 314.8 secs Computing kpt #: 300 total cpu time spent up to now is 315.6 secs ethr = 2.27E-08, avg # of iterations = 44.8 total cpu time spent up to now is 315.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -43.7026 -43.7026 -43.5687 -43.5687 -43.5687 -43.5687 -20.4940 -20.4940 -20.4940 -20.4940 -20.1968 -20.1968 -19.9371 -19.9371 -19.7839 -19.7839 -19.7839 -19.7839 -19.6528 -19.6528 -19.4914 -19.4914 -19.4914 -19.4914 -2.9055 -2.9055 5.8259 5.8259 9.5463 9.5463 9.5463 9.5463 9.5701 9.5701 11.2801 11.2801 11.2801 11.2801 11.5698 11.5698 11.5719 11.5719 11.5719 11.5719 14.6098 14.6098 14.6098 14.6098 14.6293 14.6293 14.9416 14.9416 k = 0.0000 0.0128-0.0000 ( 5695 PWs) bands (ev): -43.7025 -43.7025 -43.5687 -43.5687 -43.5687 -43.5687 -20.4940 -20.4940 -20.4939 -20.4939 -20.1969 -20.1969 -19.9370 -19.9370 -19.7839 -19.7839 -19.7838 -19.7838 -19.6528 -19.6528 -19.4916 -19.4916 -19.4915 -19.4915 -2.9046 -2.9046 5.8271 5.8271 9.5429 9.5429 9.5452 9.5452 9.5680 9.5680 11.2793 11.2793 11.2816 11.2816 11.5704 11.5704 11.5725 11.5725 11.5725 11.5725 14.6015 14.6015 14.6060 14.6060 14.6242 14.6242 14.9396 14.9396 k = 0.0000 0.0256-0.0000 ( 5667 PWs) bands (ev): -43.7024 -43.7024 -43.5689 -43.5689 -43.5687 -43.5687 -20.4939 -20.4939 -20.4935 -20.4935 -20.1970 -20.1970 -19.9369 -19.9369 -19.7839 -19.7839 -19.7837 -19.7837 -19.6529 -19.6529 -19.4922 -19.4922 -19.4917 -19.4917 -2.9018 -2.9018 5.8307 5.8307 9.5318 9.5318 9.5420 9.5420 9.5626 9.5626 11.2769 11.2769 11.2860 11.2860 11.5721 11.5721 11.5740 11.5740 11.5743 11.5743 14.5792 14.5792 14.5901 14.5901 14.6159 14.6159 14.9046 14.9046 k = 0.0000 0.0385-0.0000 ( 5663 PWs) bands (ev): -43.7021 -43.7021 -43.5691 -43.5691 -43.5687 -43.5687 -20.4937 -20.4937 -20.4929 -20.4929 -20.1973 -20.1973 -19.9366 -19.9366 -19.7840 -19.7840 -19.7834 -19.7834 -19.6530 -19.6530 -19.4932 -19.4932 -19.4921 -19.4921 -2.8973 -2.8973 5.8366 5.8366 9.5119 9.5119 9.5367 9.5367 9.5555 9.5555 11.2727 11.2727 11.2934 11.2934 11.5748 11.5748 11.5766 11.5766 11.5773 11.5773 14.5485 14.5485 14.5626 14.5626 14.6089 14.6089 14.8441 14.8441 k = 0.0000 0.0513-0.0000 ( 5663 PWs) bands (ev): -43.7018 -43.7018 -43.5695 -43.5695 -43.5687 -43.5687 -20.4935 -20.4935 -20.4920 -20.4920 -20.1976 -20.1976 -19.9363 -19.9363 -19.7841 -19.7841 -19.7831 -19.7831 -19.6532 -19.6532 -19.4946 -19.4946 -19.4926 -19.4926 -2.8910 -2.8910 5.8449 5.8449 9.4831 9.4831 9.5293 9.5293 9.5471 9.5471 11.2665 11.2665 11.3037 11.3037 11.5785 11.5785 11.5801 11.5801 11.5815 11.5815 14.5141 14.5141 14.5300 14.5300 14.6011 14.6011 14.7731 14.7731 k = 0.0000 0.0641-0.0000 ( 5654 PWs) bands (ev): -43.7014 -43.7014 -43.5699 -43.5699 -43.5687 -43.5687 -20.4932 -20.4932 -20.4909 -20.4909 -20.1981 -20.1981 -19.9358 -19.9358 -19.7842 -19.7842 -19.7826 -19.7826 -19.6535 -19.6535 -19.4963 -19.4963 -19.4933 -19.4933 -2.8829 -2.8829 5.8554 5.8554 9.4462 9.4462 9.5200 9.5200 9.5372 9.5372 11.2577 11.2577 11.3169 11.3169 11.5830 11.5830 11.5843 11.5843 11.5869 11.5869 14.4789 14.4789 14.4961 14.4961 14.5917 14.5917 14.6975 14.6975 k = 0.0000 0.0769-0.0000 ( 5650 PWs) bands (ev): -43.7008 -43.7008 -43.5704 -43.5704 -43.5687 -43.5687 -20.4928 -20.4928 -20.4896 -20.4896 -20.1987 -20.1987 -19.9353 -19.9353 -19.7843 -19.7843 -19.7820 -19.7820 -19.6538 -19.6538 -19.4985 -19.4985 -19.4941 -19.4941 -2.8731 -2.8731 5.8682 5.8682 9.4020 9.4020 9.5089 9.5089 9.5258 9.5258 11.2461 11.2461 11.3330 11.3330 11.5882 11.5882 11.5892 11.5892 11.5936 11.5936 14.4445 14.4445 14.4628 14.4628 14.5805 14.5805 14.6204 14.6204 k = 0.0000 0.0897-0.0000 ( 5650 PWs) bands (ev): -43.7002 -43.7002 -43.5710 -43.5710 -43.5687 -43.5687 -20.4924 -20.4924 -20.4880 -20.4880 -20.1994 -20.1994 -19.9347 -19.9347 -19.7845 -19.7845 -19.7814 -19.7814 -19.6542 -19.6542 -19.5010 -19.5010 -19.4950 -19.4950 -2.8617 -2.8617 5.8832 5.8832 9.3514 9.3514 9.4961 9.4961 9.5128 9.5128 11.2311 11.2311 11.3519 11.3519 11.5939 11.5939 11.5946 11.5946 11.6015 11.6015 14.4118 14.4118 14.4314 14.4314 14.5439 14.5439 14.5675 14.5675 k = 0.0000 0.1026-0.0000 ( 5646 PWs) bands (ev): -43.6995 -43.6995 -43.5717 -43.5717 -43.5687 -43.5687 -20.4920 -20.4920 -20.4862 -20.4862 -20.2002 -20.2002 -19.9339 -19.9339 -19.7846 -19.7846 -19.7806 -19.7806 -19.6546 -19.6546 -19.5039 -19.5039 -19.4960 -19.4960 -2.8486 -2.8486 5.9003 5.9003 9.2952 9.2952 9.4818 9.4818 9.4984 9.4984 11.2123 11.2123 11.3737 11.3737 11.5998 11.5998 11.6002 11.6002 11.6105 11.6105 14.3811 14.3811 14.4026 14.4026 14.4695 14.4695 14.5526 14.5526 k = 0.0000 0.1154-0.0000 ( 5630 PWs) bands (ev): -43.6987 -43.6987 -43.5725 -43.5725 -43.5687 -43.5687 -20.4914 -20.4914 -20.4841 -20.4841 -20.2011 -20.2011 -19.9330 -19.9330 -19.7847 -19.7847 -19.7797 -19.7797 -19.6551 -19.6551 -19.5071 -19.5071 -19.4972 -19.4972 -2.8340 -2.8340 5.9195 5.9195 9.2340 9.2340 9.4661 9.4661 9.4826 9.4826 11.1892 11.1892 11.3981 11.3981 11.6059 11.6059 11.6060 11.6060 11.6207 11.6207 14.3509 14.3509 14.3767 14.3767 14.4004 14.4004 14.5361 14.5361 k = 0.0000 0.1282-0.0000 ( 5626 PWs) bands (ev): -43.6978 -43.6978 -43.5734 -43.5734 -43.5686 -43.5686 -20.4909 -20.4909 -20.4818 -20.4818 -20.2022 -20.2022 -19.9321 -19.9321 -19.7849 -19.7849 -19.7788 -19.7788 -19.6557 -19.6557 -19.5107 -19.5107 -19.4985 -19.4985 -2.8180 -2.8180 5.9405 5.9405 9.1689 9.1689 9.4492 9.4492 9.4657 9.4657 11.1614 11.1614 11.4253 11.4253 11.6117 11.6117 11.6120 11.6120 11.6320 11.6320 14.3099 14.3099 14.3487 14.3487 14.3542 14.3542 14.5179 14.5179 k = 0.0000 0.1410-0.0000 ( 5638 PWs) bands (ev): -43.6968 -43.6968 -43.5744 -43.5744 -43.5686 -43.5686 -20.4902 -20.4902 -20.4793 -20.4793 -20.2035 -20.2035 -19.9310 -19.9310 -19.7850 -19.7850 -19.7777 -19.7777 -19.6563 -19.6563 -19.5146 -19.5146 -19.4999 -19.4999 -2.8005 -2.8005 5.9634 5.9634 9.1004 9.1004 9.4313 9.4313 9.4477 9.4477 11.1285 11.1285 11.4551 11.4551 11.6172 11.6172 11.6178 11.6178 11.6443 11.6443 14.2515 14.2515 14.3220 14.3220 14.3352 14.3352 14.4981 14.4981 k = 0.0000 0.1538-0.0000 ( 5638 PWs) bands (ev): -43.6958 -43.6958 -43.5754 -43.5754 -43.5686 -43.5686 -20.4896 -20.4896 -20.4765 -20.4765 -20.2049 -20.2049 -19.9298 -19.9298 -19.7850 -19.7850 -19.7765 -19.7765 -19.6570 -19.6570 -19.5189 -19.5189 -19.5014 -19.5014 -2.7817 -2.7817 5.9879 5.9879 9.0295 9.0295 9.4125 9.4125 9.4289 9.4289 11.0904 11.0904 11.4874 11.4874 11.6223 11.6223 11.6233 11.6233 11.6577 11.6577 14.1919 14.1919 14.3045 14.3045 14.3199 14.3199 14.4768 14.4768 k = 0.0000 0.1667-0.0000 ( 5634 PWs) bands (ev): -43.6946 -43.6946 -43.5766 -43.5766 -43.5686 -43.5686 -20.4889 -20.4889 -20.4736 -20.4736 -20.2064 -20.2064 -19.9285 -19.9285 -19.7850 -19.7850 -19.7752 -19.7752 -19.6578 -19.6578 -19.5234 -19.5234 -19.5030 -19.5030 -2.7618 -2.7618 6.0140 6.0140 8.9569 8.9569 9.3930 9.3930 9.4095 9.4095 11.0467 11.0467 11.5222 11.5222 11.6268 11.6268 11.6282 11.6282 11.6720 11.6720 14.1360 14.1360 14.2920 14.2920 14.3084 14.3084 14.4541 14.4541 k = 0.0000 0.1795-0.0000 ( 5650 PWs) bands (ev): -43.6934 -43.6934 -43.5778 -43.5778 -43.5686 -43.5686 -20.4881 -20.4881 -20.4704 -20.4704 -20.2082 -20.2082 -19.9271 -19.9271 -19.7850 -19.7850 -19.7739 -19.7739 -19.6587 -19.6587 -19.5282 -19.5282 -19.5047 -19.5047 -2.7408 -2.7408 6.0414 6.0414 8.8835 8.8835 9.3729 9.3729 9.3895 9.3895 10.9975 10.9975 11.5593 11.5593 11.6307 11.6307 11.6326 11.6326 11.6873 11.6873 14.0847 14.0847 14.2837 14.2837 14.3006 14.3006 14.4301 14.4301 k = 0.0000 0.1923-0.0000 ( 5658 PWs) bands (ev): -43.6921 -43.6921 -43.5790 -43.5790 -43.5686 -43.5686 -20.4874 -20.4874 -20.4670 -20.4670 -20.2101 -20.2101 -19.9256 -19.9256 -19.7849 -19.7849 -19.7724 -19.7724 -19.6596 -19.6596 -19.5334 -19.5334 -19.5065 -19.5065 -2.7188 -2.7188 6.0699 6.0699 8.8099 8.8099 9.3525 9.3525 9.3691 9.3691 10.9428 10.9428 11.5987 11.5987 11.6339 11.6339 11.6362 11.6362 11.7034 11.7034 14.0386 14.0386 14.2794 14.2794 14.2965 14.2965 14.4050 14.4050 k = 0.0000 0.2051-0.0000 ( 5666 PWs) bands (ev): -43.6907 -43.6907 -43.5804 -43.5804 -43.5686 -43.5686 -20.4866 -20.4866 -20.4635 -20.4635 -20.2122 -20.2122 -19.9239 -19.9239 -19.7847 -19.7847 -19.7708 -19.7708 -19.6606 -19.6606 -19.5387 -19.5387 -19.5083 -19.5083 -2.6959 -2.6959 6.0992 6.0992 8.7370 8.7370 9.3319 9.3319 9.3486 9.3486 10.8825 10.8825 11.6362 11.6362 11.6379 11.6379 11.6412 11.6412 11.7203 11.7203 13.9976 13.9976 14.2790 14.2790 14.2961 14.2961 14.3789 14.3789 k = 0.0000 0.2179-0.0000 ( 5662 PWs) bands (ev): -43.6893 -43.6893 -43.5818 -43.5818 -43.5686 -43.5686 -20.4858 -20.4858 -20.4597 -20.4597 -20.2145 -20.2145 -19.9222 -19.9222 -19.7844 -19.7844 -19.7691 -19.7691 -19.6616 -19.6616 -19.5443 -19.5443 -19.5102 -19.5102 -2.6723 -2.6723 6.1291 6.1291 8.6656 8.6656 9.3112 9.3112 9.3280 9.3280 10.8171 10.8171 11.6377 11.6377 11.6408 11.6408 11.6839 11.6839 11.7380 11.7380 13.9618 13.9618 14.2822 14.2822 14.2989 14.2989 14.3523 14.3523 k = 0.0000 0.2308-0.0000 ( 5670 PWs) bands (ev): -43.6878 -43.6878 -43.5833 -43.5833 -43.5685 -43.5685 -20.4850 -20.4850 -20.4558 -20.4558 -20.2169 -20.2169 -19.9205 -19.9205 -19.7840 -19.7840 -19.7674 -19.7674 -19.6628 -19.6628 -19.5502 -19.5502 -19.5120 -19.5120 -2.6482 -2.6482 6.1593 6.1593 8.5964 8.5964 9.2906 9.2906 9.3074 9.3074 10.7467 10.7467 11.6383 11.6383 11.6419 11.6419 11.7291 11.7291 11.7564 11.7564 13.9311 13.9311 14.2890 14.2890 14.3032 14.3032 14.3270 14.3270 k = 0.0000 0.2436-0.0000 ( 5662 PWs) bands (ev): -43.6863 -43.6863 -43.5849 -43.5849 -43.5685 -43.5685 -20.4841 -20.4841 -20.4517 -20.4517 -20.2196 -20.2196 -19.9186 -19.9186 -19.7834 -19.7834 -19.7655 -19.7655 -19.6640 -19.6640 -19.5562 -19.5562 -19.5140 -19.5140 -2.6236 -2.6236 6.1895 6.1895 8.5302 8.5302 9.2702 9.2702 9.2870 9.2870 10.6717 10.6717 11.6381 11.6381 11.6421 11.6421 11.7730 11.7730 11.7784 11.7784 13.9053 13.9053 14.2909 14.2909 14.2992 14.2992 14.3209 14.3209 k = 0.0000 0.2564-0.0000 ( 5662 PWs) bands (ev): -43.6846 -43.6846 -43.5865 -43.5865 -43.5685 -43.5685 -20.4833 -20.4833 -20.4474 -20.4474 -20.2224 -20.2224 -19.9167 -19.9167 -19.7827 -19.7827 -19.7636 -19.7636 -19.6653 -19.6653 -19.5625 -19.5625 -19.5159 -19.5159 -2.5987 -2.5987 6.2191 6.2191 8.4678 8.4678 9.2500 9.2500 9.2670 9.2670 10.5926 10.5926 11.6371 11.6371 11.6415 11.6415 11.7941 11.7941 11.8252 11.8252 13.8840 13.8840 14.2637 14.2637 14.3125 14.3125 14.3324 14.3324 k = 0.0000 0.2692-0.0000 ( 5654 PWs) bands (ev): -43.6830 -43.6830 -43.5881 -43.5881 -43.5685 -43.5685 -20.4825 -20.4825 -20.4430 -20.4430 -20.2255 -20.2255 -19.9147 -19.9147 -19.7819 -19.7819 -19.7616 -19.7616 -19.6667 -19.6667 -19.5688 -19.5688 -19.5178 -19.5178 -2.5737 -2.5737 6.2479 6.2479 8.4100 8.4100 9.2304 9.2304 9.2474 9.2474 10.5099 10.5099 11.6352 11.6352 11.6402 11.6402 11.8139 11.8139 11.8750 11.8750 13.8670 13.8670 14.2347 14.2347 14.3287 14.3287 14.3482 14.3482 k = 0.0000 0.2821-0.0000 ( 5666 PWs) bands (ev): -43.6813 -43.6813 -43.5898 -43.5898 -43.5685 -43.5685 -20.4816 -20.4816 -20.4385 -20.4385 -20.2287 -20.2287 -19.9127 -19.9127 -19.7809 -19.7809 -19.7594 -19.7594 -19.6682 -19.6682 -19.5754 -19.5754 -19.5197 -19.5197 -2.5488 -2.5488 6.2754 6.2754 8.3575 8.3575 9.2112 9.2112 9.2283 9.2283 10.4239 10.4239 11.6328 11.6328 11.6381 11.6381 11.8339 11.8339 11.9259 11.9259 13.8539 13.8539 14.2053 14.2053 14.3476 14.3476 14.3669 14.3669 k = 0.0000 0.2949-0.0000 ( 5654 PWs) bands (ev): -43.6795 -43.6795 -43.5915 -43.5915 -43.5685 -43.5685 -20.4808 -20.4808 -20.4338 -20.4338 -20.2321 -20.2321 -19.9107 -19.9107 -19.7796 -19.7796 -19.7573 -19.7573 -19.6697 -19.6697 -19.5820 -19.5820 -19.5216 -19.5216 -2.5240 -2.5240 6.3011 6.3011 8.3112 8.3112 9.1927 9.1927 9.2098 9.2098 10.3353 10.3353 11.6297 11.6297 11.6355 11.6355 11.8540 11.8540 11.9776 11.9776 13.8442 13.8442 14.1759 14.1759 14.3689 14.3689 14.3881 14.3881 k = 0.0000 0.3077-0.0000 ( 5658 PWs) bands (ev): -43.6778 -43.6778 -43.5933 -43.5933 -43.5685 -43.5685 -20.4800 -20.4800 -20.4291 -20.4291 -20.2356 -20.2356 -19.9087 -19.9087 -19.7782 -19.7782 -19.7550 -19.7550 -19.6714 -19.6714 -19.5887 -19.5887 -19.5235 -19.5235 -2.4997 -2.4997 6.3247 6.3247 8.2716 8.2716 9.1749 9.1749 9.1921 9.1921 10.2445 10.2445 11.6261 11.6261 11.6323 11.6323 11.8741 11.8741 12.0298 12.0298 13.8377 13.8377 14.1467 14.1467 14.3922 14.3922 14.4115 14.4115 k = 0.0000 0.3205-0.0000 ( 5654 PWs) bands (ev): -43.6760 -43.6760 -43.5950 -43.5950 -43.5684 -43.5684 -20.4793 -20.4793 -20.4242 -20.4242 -20.2393 -20.2393 -19.9067 -19.9067 -19.7766 -19.7766 -19.7527 -19.7527 -19.6731 -19.6731 -19.5955 -19.5955 -19.5253 -19.5253 -2.4758 -2.4758 6.3457 6.3457 8.2394 8.2394 9.1579 9.1579 9.1751 9.1751 10.1522 10.1522 11.6221 11.6221 11.6287 11.6287 11.8941 11.8941 12.0822 12.0822 13.8338 13.8338 14.1178 14.1178 14.4174 14.4174 14.4366 14.4366 k = 0.0000 0.3333-0.0000 ( 5646 PWs) bands (ev): -43.6742 -43.6742 -43.5968 -43.5968 -43.5684 -43.5684 -20.4785 -20.4785 -20.4194 -20.4194 -20.2431 -20.2431 -19.9047 -19.9047 -19.7748 -19.7748 -19.7503 -19.7503 -19.6749 -19.6749 -19.6023 -19.6023 -19.5270 -19.5270 -2.4527 -2.4527 6.3637 6.3637 8.2151 8.2151 9.1417 9.1417 9.1590 9.1590 10.0588 10.0588 11.6178 11.6178 11.6248 11.6248 11.9138 11.9138 12.1345 12.1345 13.8322 13.8322 14.0896 14.0896 14.4439 14.4439 14.4632 14.4632 k = 0.0000 0.3462-0.0000 ( 5662 PWs) bands (ev): -43.6724 -43.6724 -43.5986 -43.5986 -43.5684 -43.5684 -20.4778 -20.4778 -20.4144 -20.4144 -20.2471 -20.2471 -19.9029 -19.9029 -19.7727 -19.7727 -19.7479 -19.7479 -19.6768 -19.6768 -19.6091 -19.6091 -19.5287 -19.5287 -2.4304 -2.4304 6.3788 6.3788 8.1990 8.1990 9.1265 9.1265 9.1439 9.1439 9.9650 9.9650 11.6134 11.6134 11.6207 11.6207 11.9330 11.9330 12.1862 12.1862 13.8325 13.8325 14.0622 14.0622 14.4716 14.4716 14.4909 14.4909 k = 0.0000 0.3590-0.0000 ( 5658 PWs) bands (ev): -43.6706 -43.6706 -43.6004 -43.6004 -43.5684 -43.5684 -20.4772 -20.4772 -20.4095 -20.4095 -20.2511 -20.2511 -19.9011 -19.9011 -19.7704 -19.7704 -19.7454 -19.7454 -19.6787 -19.6787 -19.6158 -19.6158 -19.5302 -19.5302 -2.4092 -2.4092 6.3906 6.3906 8.1912 8.1912 9.1123 9.1123 9.1297 9.1297 9.8712 9.8712 11.6088 11.6088 11.6165 11.6165 11.9517 11.9517 12.2369 12.2369 13.8342 13.8342 14.0358 14.0358 14.4999 14.4999 14.5193 14.5193 k = 0.0000 0.3718-0.0000 ( 5662 PWs) bands (ev): -43.6689 -43.6689 -43.6021 -43.6021 -43.5684 -43.5684 -20.4765 -20.4765 -20.4046 -20.4046 -20.2551 -20.2551 -19.8994 -19.8994 -19.7680 -19.7680 -19.7429 -19.7429 -19.6807 -19.6807 -19.6224 -19.6224 -19.5317 -19.5317 -2.3892 -2.3892 6.3993 6.3993 8.1917 8.1917 9.0992 9.0992 9.1167 9.1167 9.7781 9.7781 11.6043 11.6043 11.6123 11.6123 11.9696 11.9696 12.2862 12.2862 13.8371 13.8371 14.0107 14.0107 14.5285 14.5285 14.5479 14.5479 k = 0.0000 0.3846-0.0000 ( 5662 PWs) bands (ev): -43.6672 -43.6672 -43.6038 -43.6038 -43.5684 -43.5684 -20.4760 -20.4760 -20.3998 -20.3998 -20.2592 -20.2592 -19.8978 -19.8978 -19.7653 -19.7653 -19.7404 -19.7404 -19.6828 -19.6828 -19.6289 -19.6289 -19.5330 -19.5330 -2.3706 -2.3706 6.4052 6.4052 8.2001 8.2001 9.0872 9.0872 9.1047 9.1047 9.6864 9.6864 11.5999 11.5999 11.6081 11.6081 11.9865 11.9865 12.3334 12.3334 13.8409 13.8409 13.9871 13.9871 14.5569 14.5569 14.5764 14.5764 k = 0.0000 0.3974-0.0000 ( 5654 PWs) bands (ev): -43.6655 -43.6655 -43.6055 -43.6055 -43.5684 -43.5684 -20.4754 -20.4754 -20.3951 -20.3951 -20.2632 -20.2632 -19.8964 -19.8964 -19.7625 -19.7625 -19.7379 -19.7379 -19.6848 -19.6848 -19.6352 -19.6352 -19.5343 -19.5343 -2.3534 -2.3534 6.4085 6.4085 8.2157 8.2157 9.0763 9.0763 9.0938 9.0938 9.5968 9.5968 11.5958 11.5958 11.6042 11.6042 12.0024 12.0024 12.3781 12.3781 13.8451 13.8451 13.9652 13.9652 14.5847 14.5847 14.6042 14.6042 k = 0.0000 0.4103-0.0000 ( 5662 PWs) bands (ev): -43.6639 -43.6639 -43.6070 -43.6070 -43.5684 -43.5684 -20.4750 -20.4750 -20.3906 -20.3906 -20.2671 -20.2671 -19.8951 -19.8951 -19.7596 -19.7596 -19.7355 -19.7355 -19.6869 -19.6869 -19.6412 -19.6412 -19.5354 -19.5354 -2.3380 -2.3380 6.4098 6.4098 8.2377 8.2377 9.0666 9.0666 9.0842 9.0842 9.5103 9.5103 11.5919 11.5919 11.6005 11.6005 12.0168 12.0168 12.4196 12.4196 13.8495 13.8495 13.9453 13.9453 14.6112 14.6112 14.6309 14.6309 k = 0.0000 0.4231-0.0000 ( 5662 PWs) bands (ev): -43.6625 -43.6625 -43.6085 -43.6085 -43.5684 -43.5684 -20.4745 -20.4745 -20.3864 -20.3864 -20.2708 -20.2708 -19.8940 -19.8940 -19.7567 -19.7567 -19.7331 -19.7331 -19.6890 -19.6890 -19.6469 -19.6469 -19.5364 -19.5364 -2.3243 -2.3243 6.4094 6.4094 8.2649 8.2649 9.0582 9.0582 9.0758 9.0758 9.4278 9.4278 11.5883 11.5883 11.5972 11.5972 12.0298 12.0298 12.4574 12.4574 13.8539 13.8539 13.9275 13.9275 14.6361 14.6361 14.6558 14.6558 k = 0.0000 0.4359-0.0000 ( 5678 PWs) bands (ev): -43.6612 -43.6612 -43.6098 -43.6098 -43.5684 -43.5684 -20.4742 -20.4742 -20.3825 -20.3825 -20.2742 -20.2742 -19.8930 -19.8930 -19.7539 -19.7539 -19.7309 -19.7309 -19.6909 -19.6909 -19.6521 -19.6521 -19.5372 -19.5372 -2.3125 -2.3125 6.4081 6.4081 8.2955 8.2955 9.0509 9.0509 9.0686 9.0686 9.3508 9.3508 11.5853 11.5853 11.5943 11.5943 12.0412 12.0412 12.4907 12.4907 13.8580 13.8580 13.9121 13.9121 14.6585 14.6585 14.6784 14.6784 k = 0.0000 0.4487-0.0000 ( 5678 PWs) bands (ev): -43.6601 -43.6601 -43.6109 -43.6109 -43.5684 -43.5684 -20.4739 -20.4739 -20.3791 -20.3791 -20.2773 -20.2773 -19.8922 -19.8922 -19.7513 -19.7513 -19.7288 -19.7288 -19.6928 -19.6928 -19.6566 -19.6566 -19.5379 -19.5379 -2.3027 -2.3027 6.4061 6.4061 8.3277 8.3277 9.0450 9.0450 9.0627 9.0627 9.2813 9.2813 11.5826 11.5826 11.5918 11.5918 12.0507 12.0507 12.5190 12.5190 13.8616 13.8616 13.8992 13.8992 14.6781 14.6781 14.6980 14.6980 k = 0.0000 0.4615-0.0000 ( 5670 PWs) bands (ev): -43.6591 -43.6591 -43.6118 -43.6118 -43.5683 -43.5683 -20.4737 -20.4737 -20.3762 -20.3762 -20.2798 -20.2798 -19.8916 -19.8916 -19.7490 -19.7490 -19.7270 -19.7270 -19.6944 -19.6944 -19.6605 -19.6605 -19.5384 -19.5384 -2.2950 -2.2950 6.4041 6.4041 8.3585 8.3585 9.0404 9.0404 9.0581 9.0581 9.2216 9.2216 11.5806 11.5806 11.5898 11.5898 12.0582 12.0582 12.5417 12.5417 13.8646 13.8646 13.8890 13.8890 14.6941 14.6941 14.7141 14.7141 k = 0.0000 0.4744-0.0000 ( 5670 PWs) bands (ev): -43.6584 -43.6584 -43.6125 -43.6125 -43.5683 -43.5683 -20.4735 -20.4735 -20.3741 -20.3741 -20.2818 -20.2818 -19.8911 -19.8911 -19.7472 -19.7472 -19.7256 -19.7256 -19.6957 -19.6957 -19.6634 -19.6634 -19.5388 -19.5388 -2.2895 -2.2895 6.4024 6.4024 8.3847 8.3847 9.0371 9.0371 9.0548 9.0548 9.1749 9.1749 11.5791 11.5791 11.5884 11.5884 12.0637 12.0637 12.5583 12.5583 13.8669 13.8669 13.8816 13.8816 14.7060 14.7060 14.7260 14.7260 k = 0.0000 0.4872-0.0000 ( 5678 PWs) bands (ev): -43.6580 -43.6580 -43.6129 -43.6129 -43.5683 -43.5683 -20.4734 -20.4734 -20.3727 -20.3727 -20.2830 -20.2830 -19.8909 -19.8909 -19.7460 -19.7460 -19.7247 -19.7247 -19.6965 -19.6965 -19.6652 -19.6652 -19.5391 -19.5391 -2.2861 -2.2861 6.4013 6.4013 8.4026 8.4026 9.0351 9.0351 9.0528 9.0528 9.1448 9.1448 11.5782 11.5782 11.5875 11.5875 12.0670 12.0670 12.5684 12.5684 13.8682 13.8682 13.8771 13.8771 14.7133 14.7133 14.7334 14.7334 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -43.6579 -43.6579 -43.6131 -43.6131 -43.5683 -43.5683 -20.4734 -20.4734 -20.3723 -20.3723 -20.2834 -20.2834 -19.8908 -19.8908 -19.7456 -19.7456 -19.7244 -19.7244 -19.6968 -19.6968 -19.6658 -19.6658 -19.5391 -19.5391 -2.2850 -2.2850 6.4009 6.4009 8.4090 8.4090 9.0344 9.0344 9.0522 9.0522 9.1343 9.1343 11.5779 11.5779 11.5872 11.5872 12.0681 12.0681 12.5718 12.5718 13.8687 13.8687 13.8756 13.8756 14.7158 14.7158 14.7359 14.7359 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -43.6579 -43.6579 -43.6131 -43.6131 -43.5683 -43.5683 -20.4734 -20.4734 -20.3723 -20.3723 -20.2834 -20.2834 -19.8908 -19.8908 -19.7456 -19.7456 -19.7244 -19.7244 -19.6968 -19.6968 -19.6658 -19.6658 -19.5391 -19.5391 -2.2850 -2.2850 6.4009 6.4009 8.4090 8.4090 9.0344 9.0344 9.0522 9.0522 9.1343 9.1343 11.5779 11.5779 11.5872 11.5872 12.0681 12.0681 12.5718 12.5718 13.8687 13.8687 13.8756 13.8756 14.7158 14.7158 14.7359 14.7359 k = 0.0128 0.5000-0.0000 ( 5682 PWs) bands (ev): -43.6578 -43.6578 -43.6131 -43.6131 -43.5684 -43.5684 -20.4733 -20.4733 -20.3724 -20.3724 -20.2835 -20.2835 -19.8908 -19.8908 -19.7455 -19.7455 -19.7248 -19.7248 -19.6966 -19.6966 -19.6655 -19.6655 -19.5392 -19.5392 -2.2841 -2.2841 6.4016 6.4016 8.4082 8.4082 9.0238 9.0238 9.0462 9.0462 9.1477 9.1477 11.5769 11.5769 11.5864 11.5864 12.0700 12.0700 12.5731 12.5731 13.8683 13.8683 13.8738 13.8738 14.7173 14.7173 14.7373 14.7373 k = 0.0256 0.5000-0.0000 ( 5670 PWs) bands (ev): -43.6577 -43.6577 -43.6131 -43.6131 -43.5685 -43.5685 -20.4733 -20.4733 -20.3726 -20.3726 -20.2839 -20.2839 -19.8907 -19.8907 -19.7452 -19.7452 -19.7261 -19.7261 -19.6960 -19.6960 -19.6647 -19.6647 -19.5393 -19.5393 -2.2814 -2.2814 6.4036 6.4036 8.4059 8.4059 8.9923 8.9923 9.0408 9.0408 9.1752 9.1752 11.5736 11.5736 11.5846 11.5846 12.0756 12.0756 12.5768 12.5768 13.8661 13.8661 13.8692 13.8692 14.7215 14.7215 14.7420 14.7420 k = 0.0385 0.5000-0.0000 ( 5670 PWs) bands (ev): -43.6575 -43.6575 -43.6131 -43.6131 -43.5687 -43.5687 -20.4732 -20.4732 -20.3730 -20.3730 -20.2845 -20.2845 -19.8906 -19.8906 -19.7446 -19.7446 -19.7280 -19.7280 -19.6953 -19.6953 -19.6634 -19.6634 -19.5395 -19.5395 -2.2769 -2.2769 6.4070 6.4070 8.4020 8.4020 8.9512 8.9512 9.0353 9.0353 9.2062 9.2062 11.5667 11.5667 11.5829 11.5829 12.0849 12.0849 12.5829 12.5829 13.8577 13.8577 13.8665 13.8665 14.7277 14.7277 14.7503 14.7503 k = 0.0513 0.5000-0.0000 ( 5676 PWs) bands (ev): -43.6573 -43.6573 -43.6131 -43.6131 -43.5689 -43.5689 -20.4730 -20.4730 -20.3735 -20.3735 -20.2853 -20.2853 -19.8905 -19.8905 -19.7440 -19.7440 -19.7303 -19.7303 -19.6945 -19.6945 -19.6616 -19.6616 -19.5399 -19.5399 -2.2706 -2.2706 6.4117 6.4117 8.3966 8.3966 8.9048 8.9048 9.0285 9.0285 9.2379 9.2379 11.5562 11.5562 11.5814 11.5814 12.0978 12.0978 12.5915 12.5915 13.8451 13.8451 13.8641 13.8641 14.7354 14.7354 14.7624 14.7624 k = 0.0641 0.5000-0.0000 ( 5660 PWs) bands (ev): -43.6570 -43.6570 -43.6131 -43.6131 -43.5692 -43.5692 -20.4729 -20.4729 -20.3741 -20.3741 -20.2863 -20.2863 -19.8904 -19.8904 -19.7432 -19.7432 -19.7330 -19.7330 -19.6937 -19.6937 -19.6593 -19.6593 -19.5402 -19.5402 -2.2625 -2.2625 6.4177 6.4177 8.3897 8.3897 8.8542 8.8542 9.0200 9.0200 9.2698 9.2698 11.5423 11.5423 11.5800 11.5800 12.1142 12.1142 12.6025 12.6025 13.8295 13.8295 13.8610 13.8610 14.7443 14.7443 14.7783 14.7783 k = 0.0769 0.5000-0.0000 ( 5660 PWs) bands (ev): -43.6566 -43.6566 -43.6130 -43.6130 -43.5696 -43.5696 -20.4727 -20.4727 -20.3749 -20.3749 -20.2875 -20.2875 -19.8902 -19.8902 -19.7424 -19.7424 -19.7356 -19.7356 -19.6931 -19.6931 -19.6566 -19.6566 -19.5407 -19.5407 -2.2528 -2.2528 6.4250 6.4250 8.3815 8.3815 8.7998 8.7998 9.0099 9.0099 9.3020 9.3020 11.5252 11.5252 11.5784 11.5784 12.1340 12.1340 12.6158 12.6158 13.8114 13.8114 13.8570 13.8570 14.7544 14.7544 14.7972 14.7972 k = 0.0897 0.5000-0.0000 ( 5658 PWs) bands (ev): -43.6561 -43.6561 -43.6130 -43.6130 -43.5701 -43.5701 -20.4724 -20.4724 -20.3758 -20.3758 -20.2890 -20.2890 -19.8899 -19.8899 -19.7423 -19.7423 -19.7376 -19.7376 -19.6927 -19.6927 -19.6535 -19.6535 -19.5412 -19.5412 -2.2414 -2.2414 6.4335 6.4335 8.3721 8.3721 8.7416 8.7416 8.9982 8.9982 9.3346 9.3346 11.5051 11.5051 11.5767 11.5767 12.1570 12.1570 12.6314 12.6314 13.7913 13.7913 13.8521 13.8521 14.7659 14.7659 14.8184 14.8184 k = 0.1026 0.5000-0.0000 ( 5662 PWs) bands (ev): -43.6555 -43.6555 -43.6130 -43.6130 -43.5706 -43.5706 -20.4722 -20.4722 -20.3768 -20.3768 -20.2907 -20.2907 -19.8895 -19.8895 -19.7441 -19.7441 -19.7376 -19.7376 -19.6924 -19.6924 -19.6502 -19.6502 -19.5418 -19.5418 -2.2284 -2.2284 6.4432 6.4432 8.3614 8.3614 8.6798 8.6798 8.9852 8.9852 9.3677 9.3677 11.4820 11.4820 11.5748 11.5748 12.1832 12.1832 12.6492 12.6492 13.7696 13.7696 13.8461 13.8461 14.7788 14.7788 14.8061 14.8061 k = 0.1154 0.5000-0.0000 ( 5664 PWs) bands (ev): -43.6549 -43.6549 -43.6130 -43.6130 -43.5712 -43.5712 -20.4719 -20.4719 -20.3779 -20.3779 -20.2925 -20.2925 -19.8891 -19.8891 -19.7469 -19.7469 -19.7365 -19.7365 -19.6923 -19.6923 -19.6467 -19.6467 -19.5425 -19.5425 -2.2139 -2.2139 6.4541 6.4541 8.3496 8.3496 8.6147 8.6147 8.9709 8.9709 9.4016 9.4016 11.4562 11.4562 11.5727 11.5727 12.2123 12.2123 12.6692 12.6692 13.7468 13.7468 13.8389 13.8389 14.7655 14.7655 14.7932 14.7932 k = 0.1282 0.5000-0.0000 ( 5664 PWs) bands (ev): -43.6542 -43.6542 -43.6130 -43.6130 -43.5719 -43.5719 -20.4716 -20.4716 -20.3791 -20.3791 -20.2945 -20.2945 -19.8886 -19.8886 -19.7500 -19.7500 -19.7351 -19.7351 -19.6924 -19.6924 -19.6430 -19.6430 -19.5431 -19.5431 -2.1979 -2.1979 6.4661 6.4661 8.3370 8.3370 8.5465 8.5465 8.9554 8.9554 9.4365 9.4365 11.4277 11.4277 11.5704 11.5704 12.2441 12.2441 12.6913 12.6913 13.7231 13.7231 13.8304 13.8304 14.7262 14.7262 14.8089 14.8089 k = 0.1410 0.5000-0.0000 ( 5658 PWs) bands (ev): -43.6535 -43.6535 -43.6130 -43.6130 -43.5726 -43.5726 -20.4713 -20.4713 -20.3804 -20.3804 -20.2967 -20.2967 -19.8880 -19.8880 -19.7531 -19.7531 -19.7335 -19.7335 -19.6925 -19.6925 -19.6392 -19.6392 -19.5438 -19.5438 -2.1804 -2.1804 6.4792 6.4792 8.3234 8.3234 8.4754 8.4754 8.9390 8.9390 9.4725 9.4725 11.3968 11.3968 11.5679 11.5679 12.2785 12.2785 12.7154 12.7154 13.6990 13.6990 13.8206 13.8206 14.6886 14.6886 14.8259 14.8259 k = 0.1538 0.5000-0.0000 ( 5666 PWs) bands (ev): -43.6527 -43.6527 -43.6130 -43.6130 -43.5734 -43.5734 -20.4710 -20.4710 -20.3817 -20.3817 -20.2991 -20.2991 -19.8873 -19.8873 -19.7562 -19.7562 -19.7319 -19.7319 -19.6928 -19.6928 -19.6354 -19.6354 -19.5446 -19.5446 -2.1617 -2.1617 6.4933 6.4933 8.3092 8.3092 8.4018 8.4018 8.9217 8.9217 9.5096 9.5096 11.3635 11.3635 11.5651 11.5651 12.3153 12.3153 12.7413 12.7413 13.6746 13.6746 13.8095 13.8095 14.6533 14.6533 14.8440 14.8440 k = 0.1667 0.5000-0.0000 ( 5670 PWs) bands (ev): -43.6518 -43.6518 -43.6130 -43.6130 -43.5743 -43.5743 -20.4708 -20.4708 -20.3830 -20.3830 -20.3015 -20.3015 -19.8864 -19.8864 -19.7593 -19.7593 -19.7302 -19.7302 -19.6932 -19.6932 -19.6315 -19.6315 -19.5453 -19.5453 -2.1418 -2.1418 6.5082 6.5082 8.2942 8.2942 8.3261 8.3261 8.9038 8.9038 9.5479 9.5479 11.3281 11.3281 11.5622 11.5622 12.3542 12.3542 12.7691 12.7691 13.6502 13.6502 13.7970 13.7970 14.6203 14.6203 14.8629 14.8629 k = 0.1795 0.5000-0.0000 ( 5658 PWs) bands (ev): -43.6509 -43.6509 -43.6129 -43.6129 -43.5752 -43.5752 -20.4705 -20.4705 -20.3844 -20.3844 -20.3042 -20.3042 -19.8855 -19.8855 -19.7623 -19.7623 -19.7285 -19.7285 -19.6937 -19.6937 -19.6276 -19.6276 -19.5460 -19.5460 -2.1208 -2.1208 6.5240 6.5240 8.2479 8.2479 8.2796 8.2796 8.8853 8.8853 9.5875 9.5875 11.2908 11.2908 11.5591 11.5591 12.3950 12.3950 12.7985 12.7985 13.6261 13.6261 13.7833 13.7833 14.5900 14.5900 14.8825 14.8825 k = 0.1923 0.5000-0.0000 ( 5654 PWs) bands (ev): -43.6498 -43.6498 -43.6129 -43.6129 -43.5762 -43.5762 -20.4702 -20.4702 -20.3857 -20.3857 -20.3069 -20.3069 -19.8845 -19.8845 -19.7652 -19.7652 -19.7268 -19.7268 -19.6943 -19.6943 -19.6237 -19.6237 -19.5467 -19.5467 -2.0987 -2.0987 6.5405 6.5405 8.1690 8.1690 8.2639 8.2639 8.8665 8.8665 9.6284 9.6284 11.2518 11.2518 11.5558 11.5558 12.4375 12.4375 12.8296 12.8296 13.6023 13.6023 13.7684 13.7684 14.5621 14.5621 14.9025 14.9025 k = 0.2051 0.5000-0.0000 ( 5654 PWs) bands (ev): -43.6488 -43.6488 -43.6129 -43.6129 -43.5772 -43.5772 -20.4700 -20.4700 -20.3870 -20.3870 -20.3097 -20.3097 -19.8833 -19.8833 -19.7680 -19.7680 -19.7252 -19.7252 -19.6950 -19.6950 -19.6199 -19.6199 -19.5473 -19.5473 -2.0759 -2.0759 6.5577 6.5577 8.0890 8.0890 8.2482 8.2482 8.8474 8.8474 9.6705 9.6705 11.2114 11.2114 11.5523 11.5523 12.4815 12.4815 12.8621 12.8621 13.5791 13.5791 13.7525 13.7525 14.5368 14.5368 14.9226 14.9226 k = 0.2179 0.5000-0.0000 ( 5662 PWs) bands (ev): -43.6477 -43.6477 -43.6129 -43.6129 -43.5783 -43.5783 -20.4698 -20.4698 -20.3883 -20.3883 -20.3127 -20.3127 -19.8821 -19.8821 -19.7707 -19.7707 -19.7236 -19.7236 -19.6958 -19.6958 -19.6161 -19.6161 -19.5480 -19.5480 -2.0522 -2.0522 6.5755 6.5755 8.0084 8.0084 8.2326 8.2326 8.8281 8.8281 9.7138 9.7138 11.1697 11.1697 11.5488 11.5488 12.5268 12.5268 12.8959 12.8959 13.5565 13.5565 13.7357 13.7357 14.5139 14.5139 14.9424 14.9424 k = 0.2308 0.5000-0.0000 ( 5664 PWs) bands (ev): -43.6465 -43.6465 -43.6129 -43.6129 -43.5794 -43.5794 -20.4697 -20.4697 -20.3895 -20.3895 -20.3156 -20.3156 -19.8807 -19.8807 -19.7733 -19.7733 -19.7221 -19.7221 -19.6967 -19.6967 -19.6124 -19.6124 -19.5485 -19.5485 -2.0280 -2.0280 6.5937 6.5937 7.9276 7.9276 8.2170 8.2170 8.8089 8.8089 9.7581 9.7581 11.1270 11.1270 11.5451 11.5451 12.5732 12.5732 12.9309 12.9309 13.5346 13.5346 13.7184 13.7184 14.4931 14.4931 14.9616 14.9616 k = 0.2436 0.5000-0.0000 ( 5668 PWs) bands (ev): -43.6452 -43.6452 -43.6129 -43.6129 -43.5807 -43.5807 -20.4696 -20.4696 -20.3906 -20.3906 -20.3187 -20.3187 -19.8792 -19.8792 -19.7758 -19.7758 -19.7208 -19.7208 -19.6977 -19.6977 -19.6088 -19.6088 -19.5490 -19.5490 -2.0033 -2.0033 6.6122 6.6122 7.8471 7.8471 8.2017 8.2017 8.7899 8.7899 9.8033 9.8033 11.0837 11.0837 11.5413 11.5413 12.6203 12.6203 12.9670 12.9670 13.5136 13.5136 13.7007 13.7007 14.4743 14.4743 14.9798 14.9799 k = 0.2564 0.5000-0.0000 ( 5672 PWs) bands (ev): -43.6439 -43.6439 -43.6128 -43.6128 -43.5819 -43.5819 -20.4695 -20.4695 -20.3916 -20.3916 -20.3218 -20.3218 -19.8777 -19.8777 -19.7781 -19.7781 -19.7195 -19.7195 -19.6987 -19.6987 -19.6053 -19.6053 -19.5494 -19.5494 -1.9783 -1.9783 6.6310 6.6310 7.7673 7.7673 8.1867 8.1867 8.7711 8.7711 9.8494 9.8494 11.0399 11.0399 11.5375 11.5375 12.6680 12.6680 13.0041 13.0041 13.4935 13.4935 13.6830 13.6830 14.4570 14.4570 14.9967 14.9967 k = 0.2692 0.5000-0.0000 ( 5672 PWs) bands (ev): -43.6426 -43.6426 -43.6128 -43.6128 -43.5832 -43.5832 -20.4695 -20.4695 -20.3925 -20.3925 -20.3249 -20.3249 -19.8760 -19.8760 -19.7803 -19.7803 -19.7184 -19.7184 -19.6999 -19.6999 -19.6019 -19.6019 -19.5498 -19.5498 -1.9531 -1.9531 6.6499 6.6499 7.6886 7.6886 8.1722 8.1722 8.7527 8.7527 9.8960 9.8960 10.9960 10.9960 11.5336 11.5336 12.7161 12.7161 13.0418 13.0418 13.4743 13.4743 13.6655 13.6655 14.4411 14.4411 15.0117 15.0117 k = 0.2821 0.5000-0.0000 ( 5676 PWs) bands (ev): -43.6412 -43.6412 -43.6128 -43.6128 -43.5846 -43.5846 -20.4696 -20.4696 -20.3933 -20.3933 -20.3280 -20.3280 -19.8743 -19.8743 -19.7823 -19.7823 -19.7174 -19.7174 -19.7011 -19.7011 -19.5986 -19.5986 -19.5500 -19.5500 -1.9280 -1.9280 6.6687 6.6687 7.6115 7.6115 8.1582 8.1582 8.7347 8.7347 9.9431 9.9431 10.9522 10.9522 11.5296 11.5296 12.7643 12.7643 13.0802 13.0802 13.4561 13.4561 13.6484 13.6484 14.4261 14.4261 15.0244 15.0244 k = 0.2949 0.5000-0.0000 ( 5672 PWs) bands (ev): -43.6398 -43.6398 -43.6128 -43.6128 -43.5860 -43.5860 -20.4698 -20.4698 -20.3939 -20.3939 -20.3311 -20.3311 -19.8726 -19.8726 -19.7842 -19.7842 -19.7165 -19.7165 -19.7023 -19.7023 -19.5955 -19.5955 -19.5502 -19.5502 -1.9030 -1.9030 6.6873 6.6873 7.5363 7.5363 8.1448 8.1448 8.7173 8.7173 9.9903 9.9903 10.9089 10.9089 11.5257 11.5257 12.8123 12.8123 13.1189 13.1189 13.4390 13.4390 13.6321 13.6321 14.4116 14.4116 15.0340 15.0340 k = 0.3077 0.5000-0.0000 ( 5664 PWs) bands (ev): -43.6383 -43.6383 -43.6128 -43.6128 -43.5874 -43.5874 -20.4699 -20.4699 -20.3944 -20.3944 -20.3343 -20.3343 -19.8708 -19.8708 -19.7860 -19.7860 -19.7159 -19.7159 -19.7036 -19.7036 -19.5926 -19.5926 -19.5503 -19.5503 -1.8784 -1.8784 6.7057 6.7057 7.4635 7.4635 8.1322 8.1322 8.7006 8.7006 10.0375 10.0375 10.8662 10.8662 11.5219 11.5219 12.8600 12.8600 13.1578 13.1578 13.4229 13.4229 13.6168 13.6168 14.3974 14.3974 15.0252 15.0252 k = 0.3205 0.5000-0.0000 ( 5664 PWs) bands (ev): -43.6368 -43.6368 -43.6127 -43.6127 -43.5889 -43.5889 -20.4702 -20.4702 -20.3947 -20.3947 -20.3373 -20.3373 -19.8689 -19.8689 -19.7876 -19.7876 -19.7155 -19.7155 -19.7048 -19.7048 -19.5898 -19.5898 -19.5503 -19.5503 -1.8543 -1.8543 6.7237 6.7237 7.3933 7.3933 8.1204 8.1204 8.6845 8.6845 10.0843 10.0843 10.8246 10.8246 11.5180 11.5180 12.9069 12.9069 13.1967 13.1967 13.4079 13.4079 13.6026 13.6026 14.3828 14.3828 14.9760 14.9760 k = 0.3333 0.5000-0.0000 ( 5656 PWs) bands (ev): -43.6352 -43.6352 -43.6127 -43.6127 -43.5905 -43.5905 -20.4705 -20.4705 -20.3949 -20.3949 -20.3404 -20.3404 -19.8671 -19.8671 -19.7890 -19.7890 -19.7154 -19.7154 -19.7058 -19.7058 -19.5871 -19.5871 -19.5503 -19.5503 -1.8309 -1.8309 6.7411 6.7411 7.3262 7.3262 8.1094 8.1094 8.6693 8.6693 10.1304 10.1304 10.7842 10.7842 11.5143 11.5143 12.9528 12.9528 13.2352 13.2352 13.3940 13.3940 13.5899 13.5899 14.3674 14.3674 14.9237 14.9237 k = 0.3462 0.5000-0.0000 ( 5662 PWs) bands (ev): -43.6337 -43.6337 -43.6127 -43.6127 -43.5920 -43.5920 -20.4708 -20.4708 -20.3949 -20.3949 -20.3434 -20.3434 -19.8653 -19.8653 -19.7903 -19.7903 -19.7156 -19.7156 -19.7067 -19.7067 -19.5847 -19.5847 -19.5502 -19.5502 -1.8083 -1.8083 6.7578 6.7578 7.2626 7.2626 8.0993 8.0993 8.6550 8.6550 10.1754 10.1754 10.7454 10.7454 11.5108 11.5108 12.9975 12.9975 13.2732 13.2732 13.3811 13.3811 13.5787 13.5787 14.3507 14.3507 14.8725 14.8725 k = 0.3590 0.5000-0.0000 ( 5666 PWs) bands (ev): -43.6320 -43.6320 -43.6127 -43.6127 -43.5936 -43.5936 -20.4712 -20.4712 -20.3948 -20.3948 -20.3463 -20.3463 -19.8635 -19.8635 -19.7914 -19.7914 -19.7162 -19.7162 -19.7072 -19.7072 -19.5824 -19.5824 -19.5501 -19.5501 -1.7868 -1.7868 6.7736 6.7736 7.2027 7.2027 8.0901 8.0901 8.6416 8.6416 10.2190 10.2190 10.7085 10.7085 11.5073 11.5073 13.0405 13.0405 13.3101 13.3101 13.3695 13.3695 13.5692 13.5692 14.3322 14.3322 14.8237 14.8237 k = 0.3718 0.5000-0.0000 ( 5670 PWs) bands (ev): -43.6304 -43.6304 -43.6127 -43.6127 -43.5953 -43.5953 -20.4716 -20.4716 -20.3945 -20.3945 -20.3491 -20.3491 -19.8618 -19.8618 -19.7923 -19.7923 -19.7172 -19.7172 -19.7076 -19.7076 -19.5803 -19.5803 -19.5499 -19.5499 -1.7665 -1.7665 6.7886 6.7886 7.1469 7.1469 8.0818 8.0818 8.6291 8.6291 10.2609 10.2609 10.6736 10.6736 11.5041 11.5041 13.0817 13.0817 13.3447 13.3447 13.3601 13.3601 13.5614 13.5614 14.3115 14.3115 14.7786 14.7786 k = 0.3846 0.5000-0.0000 ( 5674 PWs) bands (ev): -43.6287 -43.6287 -43.6127 -43.6127 -43.5969 -43.5969 -20.4720 -20.4720 -20.3941 -20.3941 -20.3518 -20.3518 -19.8602 -19.8602 -19.7931 -19.7931 -19.7184 -19.7184 -19.7077 -19.7077 -19.5784 -19.5784 -19.5497 -19.5497 -1.7475 -1.7475 6.8024 6.8024 7.0954 7.0954 8.0744 8.0744 8.6178 8.6178 10.3005 10.3005 10.6412 10.6412 11.5011 11.5011 13.1205 13.1205 13.3480 13.3480 13.3814 13.3814 13.5556 13.5556 14.2884 14.2884 14.7381 14.7381 k = 0.3974 0.5000-0.0000 ( 5670 PWs) bands (ev): -43.6270 -43.6270 -43.6127 -43.6127 -43.5986 -43.5986 -20.4724 -20.4724 -20.3935 -20.3935 -20.3544 -20.3544 -19.8587 -19.8587 -19.7938 -19.7938 -19.7197 -19.7197 -19.7077 -19.7077 -19.5767 -19.5767 -19.5494 -19.5494 -1.7301 -1.7301 6.8151 6.8151 7.0486 7.0486 8.0680 8.0680 8.6075 8.6075 10.3375 10.3375 10.6114 10.6114 11.4983 11.4983 13.1566 13.1566 13.3398 13.3398 13.4134 13.4134 13.5516 13.5516 14.2630 14.2630 14.7029 14.7029 k = 0.4103 0.5000-0.0000 ( 5676 PWs) bands (ev): -43.6253 -43.6253 -43.6127 -43.6127 -43.6003 -43.6003 -20.4728 -20.4728 -20.3929 -20.3929 -20.3569 -20.3569 -19.8573 -19.8573 -19.7943 -19.7943 -19.7211 -19.7211 -19.7076 -19.7076 -19.5752 -19.5752 -19.5492 -19.5492 -1.7144 -1.7144 6.8266 6.8266 7.0067 7.0067 8.0624 8.0624 8.5983 8.5983 10.3714 10.3714 10.5844 10.5844 11.4958 11.4958 13.1897 13.1897 13.3324 13.3324 13.4431 13.4431 13.5495 13.5495 14.2359 14.2359 14.6733 14.6733 k = 0.4231 0.5000-0.0000 ( 5676 PWs) bands (ev): -43.6235 -43.6235 -43.6126 -43.6126 -43.6021 -43.6021 -20.4732 -20.4732 -20.3922 -20.3922 -20.3592 -20.3592 -19.8560 -19.8560 -19.7947 -19.7947 -19.7224 -19.7224 -19.7075 -19.7075 -19.5739 -19.5739 -19.5489 -19.5489 -1.7004 -1.7004 6.8366 6.8366 6.9700 6.9700 8.0577 8.0577 8.5903 8.5903 10.4018 10.4018 10.5606 10.5606 11.4935 11.4935 13.2193 13.2193 13.3260 13.3260 13.4699 13.4699 13.5491 13.5491 14.2080 14.2080 14.6491 14.6491 k = 0.4359 0.5000-0.0000 ( 5668 PWs) bands (ev): -43.6217 -43.6217 -43.6126 -43.6126 -43.6038 -43.6038 -20.4735 -20.4735 -20.3914 -20.3914 -20.3612 -20.3612 -19.8550 -19.8550 -19.7949 -19.7949 -19.7237 -19.7237 -19.7074 -19.7074 -19.5728 -19.5728 -19.5487 -19.5487 -1.6884 -1.6884 6.8453 6.8453 6.9385 6.9385 8.0538 8.0538 8.5834 8.5834 10.4284 10.4284 10.5401 10.5401 11.4916 11.4916 13.2451 13.2451 13.3207 13.3207 13.4932 13.4932 13.5503 13.5503 14.1808 14.1808 14.6299 14.6299 k = 0.4487 0.5000-0.0000 ( 5668 PWs) bands (ev): -43.6200 -43.6200 -43.6126 -43.6126 -43.6056 -43.6056 -20.4738 -20.4738 -20.3907 -20.3907 -20.3631 -20.3631 -19.8540 -19.8540 -19.7951 -19.7951 -19.7247 -19.7247 -19.7073 -19.7073 -19.5719 -19.5719 -19.5485 -19.5485 -1.6784 -1.6784 6.8523 6.8523 6.9126 6.9126 8.0506 8.0506 8.5778 8.5778 10.4506 10.4506 10.5231 10.5231 11.4900 11.4900 13.2666 13.2666 13.3165 13.3165 13.5123 13.5123 13.5530 13.5530 14.1556 14.1556 14.6152 14.6152 k = 0.4615 0.5000-0.0000 ( 5676 PWs) bands (ev): -43.6182 -43.6182 -43.6126 -43.6126 -43.6074 -43.6074 -20.4740 -20.4740 -20.3900 -20.3900 -20.3646 -20.3646 -19.8533 -19.8533 -19.7953 -19.7953 -19.7256 -19.7256 -19.7073 -19.7073 -19.5712 -19.5712 -19.5483 -19.5483 -1.6706 -1.6706 6.8577 6.8577 6.8925 6.8925 8.0482 8.0482 8.5734 8.5734 10.4681 10.4681 10.5099 10.5099 11.4888 11.4888 13.2833 13.2833 13.3136 13.3136 13.5266 13.5266 13.5569 13.5569 14.1341 14.1341 14.6045 14.6045 k = 0.4744 0.5000-0.0000 ( 5676 PWs) bands (ev): -43.6164 -43.6164 -43.6126 -43.6126 -43.6092 -43.6092 -20.4742 -20.4742 -20.3894 -20.3894 -20.3658 -20.3658 -19.8528 -19.8528 -19.7953 -19.7953 -19.7263 -19.7263 -19.7072 -19.7072 -19.5707 -19.5707 -19.5482 -19.5482 -1.6649 -1.6649 6.8612 6.8612 6.8785 6.8785 8.0466 8.0466 8.5703 8.5703 10.4805 10.4805 10.5008 10.5008 11.4878 11.4878 13.2945 13.2945 13.3125 13.3125 13.5357 13.5357 13.5616 13.5616 14.1175 14.1175 14.5971 14.5971 k = 0.4872 0.5000-0.0000 ( 5666 PWs) bands (ev): -43.6146 -43.6146 -43.6126 -43.6126 -43.6110 -43.6110 -20.4743 -20.4743 -20.3891 -20.3891 -20.3665 -20.3665 -19.8525 -19.8525 -19.7954 -19.7954 -19.7267 -19.7267 -19.7072 -19.7072 -19.5704 -19.5704 -19.5481 -19.5481 -1.6615 -1.6615 6.8619 6.8619 6.8713 6.8713 8.0456 8.0456 8.5684 8.5684 10.4865 10.4865 10.4967 10.4967 11.4873 11.4873 13.2998 13.2998 13.3134 13.3134 13.5405 13.5405 13.5654 13.5654 14.1071 14.1071 14.5929 14.5929 k = 0.5000 0.5000-0.0000 ( 5656 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4743 -20.4743 -20.3889 -20.3889 -20.3668 -20.3668 -19.8524 -19.8524 -19.7954 -19.7954 -19.7268 -19.7268 -19.7072 -19.7072 -19.5703 -19.5703 -19.5481 -19.5481 -1.6603 -1.6603 6.8612 6.8612 6.8699 6.8699 8.0452 8.0452 8.5677 8.5677 10.4874 10.4874 10.4965 10.4965 11.4871 11.4871 13.3010 13.3010 13.3143 13.3143 13.5419 13.5419 13.5669 13.5669 14.1036 14.1036 14.5915 14.5915 k = 0.5000 0.5000-0.0000 ( 5656 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4743 -20.4743 -20.3889 -20.3889 -20.3668 -20.3668 -19.8524 -19.8524 -19.7954 -19.7954 -19.7268 -19.7268 -19.7072 -19.7072 -19.5703 -19.5703 -19.5481 -19.5481 -1.6603 -1.6603 6.8612 6.8612 6.8699 6.8699 8.0452 8.0452 8.5677 8.5677 10.4874 10.4874 10.4965 10.4965 11.4871 11.4871 13.3010 13.3010 13.3143 13.3143 13.5419 13.5419 13.5669 13.5669 14.1036 14.1036 14.5915 14.5915 k = 0.4909 0.4909-0.0000 ( 5666 PWs) bands (ev): -43.6146 -43.6146 -43.6126 -43.6126 -43.6110 -43.6110 -20.4743 -20.4743 -20.3891 -20.3891 -20.3665 -20.3665 -19.8525 -19.8525 -19.7954 -19.7954 -19.7267 -19.7267 -19.7072 -19.7072 -19.5704 -19.5704 -19.5481 -19.5481 -1.6615 -1.6615 6.8623 6.8623 6.8710 6.8710 8.0456 8.0456 8.5684 8.5684 10.4870 10.4870 10.4962 10.4962 11.4873 11.4873 13.2998 13.2998 13.3134 13.3134 13.5403 13.5403 13.5655 13.5655 14.1072 14.1072 14.5929 14.5929 k = 0.4818 0.4818-0.0000 ( 5676 PWs) bands (ev): -43.6165 -43.6165 -43.6125 -43.6125 -43.6092 -43.6092 -20.4742 -20.4742 -20.3894 -20.3894 -20.3658 -20.3658 -19.8528 -19.8528 -19.7953 -19.7953 -19.7263 -19.7263 -19.7072 -19.7072 -19.5707 -19.5707 -19.5482 -19.5482 -1.6649 -1.6649 6.8649 6.8649 6.8748 6.8748 8.0466 8.0466 8.5703 8.5703 10.4847 10.4847 10.4966 10.4966 11.4879 11.4879 13.2946 13.2946 13.3124 13.3124 13.5339 13.5339 13.5632 13.5632 14.1178 14.1178 14.5971 14.5971 k = 0.4727 0.4727-0.0000 ( 5680 PWs) bands (ev): -43.6184 -43.6184 -43.6123 -43.6123 -43.6075 -43.6075 -20.4740 -20.4740 -20.3901 -20.3901 -20.3645 -20.3645 -19.8533 -19.8533 -19.7953 -19.7953 -19.7257 -19.7257 -19.7072 -19.7072 -19.5712 -19.5712 -19.5483 -19.5483 -1.6707 -1.6707 6.8681 6.8681 6.8821 6.8821 8.0482 8.0482 8.5734 8.5734 10.4794 10.4794 10.4988 10.4988 11.4888 11.4888 13.2837 13.2837 13.3131 13.3131 13.5200 13.5200 13.5630 13.5630 14.1350 14.1350 14.6040 14.6040 k = 0.4636 0.4636-0.0000 ( 5666 PWs) bands (ev): -43.6203 -43.6203 -43.6120 -43.6120 -43.6059 -43.6059 -20.4738 -20.4738 -20.3908 -20.3908 -20.3629 -20.3629 -19.8541 -19.8541 -19.7952 -19.7952 -19.7249 -19.7249 -19.7071 -19.7071 -19.5720 -19.5720 -19.5483 -19.5483 -1.6786 -1.6786 6.8715 6.8715 6.8933 6.8933 8.0506 8.0506 8.5779 8.5779 10.4716 10.4716 10.5029 10.5029 11.4900 11.4900 13.2674 13.2674 13.3155 13.3155 13.4987 13.4987 13.5653 13.5653 14.1583 14.1583 14.6137 14.6137 k = 0.4545 0.4545-0.0000 ( 5678 PWs) bands (ev): -43.6223 -43.6223 -43.6117 -43.6117 -43.6042 -43.6042 -20.4735 -20.4735 -20.3918 -20.3918 -20.3609 -20.3609 -19.8550 -19.8550 -19.7950 -19.7950 -19.7240 -19.7240 -19.7069 -19.7069 -19.5731 -19.5731 -19.5484 -19.5484 -1.6888 -1.6888 6.8752 6.8752 6.9081 6.9081 8.0537 8.0537 8.5836 8.5836 10.4619 10.4619 10.5085 10.5085 11.4917 11.4917 13.2463 13.2463 13.3190 13.3190 13.4713 13.4713 13.5694 13.5694 14.1868 14.1868 14.6261 14.6261 k = 0.4455 0.4455-0.0000 ( 5664 PWs) bands (ev): -43.6242 -43.6242 -43.6113 -43.6113 -43.6026 -43.6026 -20.4732 -20.4732 -20.3928 -20.3928 -20.3585 -20.3585 -19.8560 -19.8560 -19.7948 -19.7948 -19.7233 -19.7233 -19.7064 -19.7064 -19.5746 -19.5746 -19.5482 -19.5482 -1.7012 -1.7012 6.8791 6.8791 6.9264 6.9264 8.0575 8.0575 8.5905 8.5905 10.4510 10.4510 10.5155 10.5155 11.4936 11.4936 13.2210 13.2210 13.3236 13.3236 13.4388 13.4388 13.5750 13.5750 14.2199 14.2199 14.6411 14.6411 k = 0.4364 0.4364-0.0000 ( 5662 PWs) bands (ev): -43.6263 -43.6263 -43.6109 -43.6109 -43.6011 -43.6011 -20.4729 -20.4729 -20.3939 -20.3939 -20.3558 -20.3558 -19.8573 -19.8573 -19.7946 -19.7946 -19.7227 -19.7227 -19.7055 -19.7055 -19.5763 -19.5763 -19.5480 -19.5480 -1.7156 -1.7156 6.8831 6.8831 6.9480 6.9480 8.0622 8.0622 8.5987 8.5987 10.4395 10.4395 10.5237 10.5237 11.4959 11.4959 13.1920 13.1920 13.3290 13.3290 13.4019 13.4019 13.5819 13.5819 14.2566 14.2566 14.6588 14.6588 k = 0.4273 0.4273-0.0000 ( 5664 PWs) bands (ev): -43.6283 -43.6283 -43.6104 -43.6104 -43.5996 -43.5996 -20.4725 -20.4725 -20.3951 -20.3951 -20.3528 -20.3528 -19.8587 -19.8587 -19.7943 -19.7943 -19.7225 -19.7225 -19.7041 -19.7041 -19.5785 -19.5785 -19.5476 -19.5476 -1.7321 -1.7321 6.8868 6.8868 6.9728 6.9728 8.0678 8.0678 8.6081 8.6081 10.4280 10.4280 10.5332 10.5332 11.4986 11.4986 13.1594 13.1594 13.3354 13.3354 13.3612 13.3612 13.5901 13.5901 14.2960 14.2960 14.6789 14.6789 k = 0.4182 0.4182-0.0000 ( 5660 PWs) bands (ev): -43.6304 -43.6304 -43.6098 -43.6098 -43.5981 -43.5981 -20.4722 -20.4722 -20.3963 -20.3963 -20.3495 -20.3495 -19.8602 -19.8602 -19.7939 -19.7939 -19.7227 -19.7227 -19.7021 -19.7021 -19.5810 -19.5810 -19.5471 -19.5471 -1.7506 -1.7506 6.8901 6.8901 7.0009 7.0009 8.0743 8.0743 8.6187 8.6187 10.4171 10.4171 10.5439 10.5439 11.5015 11.5015 13.1239 13.1239 13.3171 13.3171 13.3428 13.3428 13.5994 13.5994 14.3372 14.3372 14.7016 14.7016 k = 0.4091 0.4091-0.0000 ( 5672 PWs) bands (ev): -43.6325 -43.6325 -43.6091 -43.6091 -43.5967 -43.5967 -20.4719 -20.4719 -20.3977 -20.3977 -20.3459 -20.3459 -19.8618 -19.8618 -19.7935 -19.7935 -19.7233 -19.7233 -19.6997 -19.6997 -19.5838 -19.5838 -19.5463 -19.5463 -1.7710 -1.7710 6.8926 6.8926 7.0321 7.0321 8.0820 8.0820 8.6305 8.6305 10.4075 10.4075 10.5558 10.5558 11.5047 11.5047 13.0856 13.0856 13.2704 13.2704 13.3509 13.3509 13.6100 13.6100 14.3792 14.3792 14.7267 14.7267 k = 0.4000 0.4000-0.0000 ( 5678 PWs) bands (ev): -43.6346 -43.6346 -43.6084 -43.6084 -43.5953 -43.5953 -20.4716 -20.4716 -20.3990 -20.3990 -20.3420 -20.3420 -19.8636 -19.8636 -19.7930 -19.7930 -19.7242 -19.7242 -19.6967 -19.6967 -19.5869 -19.5869 -19.5455 -19.5455 -1.7931 -1.7931 6.8938 6.8938 7.0665 7.0665 8.0909 8.0909 8.6434 8.6434 10.3997 10.3997 10.5689 10.5689 11.5082 11.5082 13.0451 13.0451 13.2214 13.2214 13.3598 13.3598 13.6217 13.6217 14.4211 14.4211 14.7541 14.7541 k = 0.3909 0.3909-0.0000 ( 5670 PWs) bands (ev): -43.6368 -43.6368 -43.6077 -43.6077 -43.5940 -43.5940 -20.4714 -20.4714 -20.4005 -20.4005 -20.3379 -20.3379 -19.8654 -19.8654 -19.7925 -19.7925 -19.7253 -19.7253 -19.6934 -19.6934 -19.5902 -19.5902 -19.5444 -19.5444 -1.8169 -1.8169 6.8936 6.8936 7.1038 7.1038 8.1013 8.1013 8.6575 8.6575 10.3943 10.3943 10.5830 10.5830 11.5119 11.5119 13.0025 13.0025 13.1704 13.1704 13.3697 13.3697 13.6346 13.6346 14.4617 14.4617 14.7838 14.7838 k = 0.3818 0.3818-0.0000 ( 5662 PWs) bands (ev): -43.6389 -43.6389 -43.6069 -43.6069 -43.5927 -43.5927 -20.4712 -20.4712 -20.4020 -20.4020 -20.3335 -20.3335 -19.8673 -19.8673 -19.7919 -19.7919 -19.7267 -19.7267 -19.6898 -19.6898 -19.5937 -19.5937 -19.5433 -19.5433 -1.8423 -1.8423 6.8915 6.8915 7.1442 7.1442 8.1134 8.1134 8.6728 8.6728 10.3917 10.3917 10.5983 10.5983 11.5158 11.5158 12.9582 12.9582 13.1177 13.1177 13.3804 13.3804 13.6487 13.6487 14.4999 14.4999 14.8157 14.8157 k = 0.3727 0.3727-0.0000 ( 5666 PWs) bands (ev): -43.6411 -43.6411 -43.6060 -43.6060 -43.5914 -43.5914 -20.4711 -20.4711 -20.4036 -20.4036 -20.3289 -20.3289 -19.8693 -19.8693 -19.7912 -19.7912 -19.7283 -19.7283 -19.6860 -19.6860 -19.5975 -19.5975 -19.5420 -19.5420 -1.8692 -1.8692 6.8871 6.8871 7.1874 7.1874 8.1272 8.1272 8.6891 8.6891 10.3923 10.3923 10.6146 10.6146 11.5199 11.5199 12.9125 12.9125 13.0637 13.0637 13.3919 13.3919 13.6640 13.6640 14.5343 14.5343 14.8496 14.8496 k = 0.3636 0.3636-0.0000 ( 5658 PWs) bands (ev): -43.6433 -43.6433 -43.6051 -43.6051 -43.5902 -43.5902 -20.4710 -20.4710 -20.4052 -20.4052 -20.3241 -20.3241 -19.8714 -19.8714 -19.7905 -19.7905 -19.7300 -19.7300 -19.6818 -19.6818 -19.6013 -19.6013 -19.5407 -19.5407 -1.8975 -1.8975 6.8803 6.8803 7.2334 7.2334 8.1431 8.1431 8.7065 8.7065 10.3965 10.3965 10.6319 10.6319 11.5242 11.5242 12.8656 12.8656 13.0086 13.0086 13.4043 13.4043 13.6804 13.6804 14.5636 14.5636 14.8854 14.8854 k = 0.3545 0.3545-0.0000 ( 5650 PWs) bands (ev): -43.6455 -43.6455 -43.6041 -43.6041 -43.5890 -43.5890 -20.4710 -20.4710 -20.4070 -20.4070 -20.3191 -20.3191 -19.8734 -19.8734 -19.7898 -19.7898 -19.7319 -19.7319 -19.6775 -19.6775 -19.6052 -19.6052 -19.5392 -19.5392 -1.9270 -1.9270 6.8706 6.8706 7.2822 7.2822 8.1612 8.1612 8.7249 8.7249 10.4045 10.4045 10.6501 10.6501 11.5286 11.5286 12.8178 12.8178 12.9527 12.9527 13.4175 13.4175 13.6979 13.6979 14.5860 14.5860 14.9230 14.9230 k = 0.3455 0.3455-0.0000 ( 5654 PWs) bands (ev): -43.6477 -43.6477 -43.6031 -43.6031 -43.5879 -43.5879 -20.4711 -20.4711 -20.4088 -20.4088 -20.3139 -20.3139 -19.8756 -19.8756 -19.7891 -19.7891 -19.7338 -19.7338 -19.6730 -19.6730 -19.6091 -19.6091 -19.5377 -19.5377 -1.9577 -1.9577 6.8580 6.8580 7.3336 7.3336 8.1817 8.1817 8.7443 8.7443 10.4164 10.4164 10.6693 10.6693 11.5331 11.5331 12.7694 12.7694 12.8962 12.8962 13.4317 13.4317 13.7166 13.7166 14.5998 14.5998 14.9618 14.9618 k = 0.3364 0.3364-0.0000 ( 5656 PWs) bands (ev): -43.6499 -43.6499 -43.6020 -43.6020 -43.5868 -43.5868 -20.4712 -20.4712 -20.4107 -20.4107 -20.3086 -20.3086 -19.8777 -19.8777 -19.7883 -19.7883 -19.7359 -19.7359 -19.6684 -19.6684 -19.6129 -19.6129 -19.5361 -19.5361 -1.9894 -1.9894 6.8423 6.8423 7.3876 7.3876 8.2046 8.2046 8.7647 8.7647 10.4324 10.4324 10.6892 10.6892 11.5377 11.5377 12.7204 12.7204 12.8393 12.8393 13.4466 13.4466 13.7363 13.7363 14.6036 14.6036 14.9959 14.9959 k = 0.3273 0.3273-0.0000 ( 5656 PWs) bands (ev): -43.6521 -43.6521 -43.6010 -43.6010 -43.5857 -43.5857 -20.4715 -20.4715 -20.4126 -20.4126 -20.3031 -20.3031 -19.8799 -19.8799 -19.7876 -19.7876 -19.7380 -19.7380 -19.6637 -19.6637 -19.6167 -19.6167 -19.5345 -19.5345 -2.0219 -2.0219 6.8236 6.8236 7.4439 7.4439 8.2301 8.2301 8.7860 8.7860 10.4525 10.4525 10.7100 10.7100 11.5424 11.5424 12.6712 12.6712 12.7822 12.7822 13.4624 13.4624 13.7570 13.7570 14.5969 14.5969 15.0053 15.0053 k = 0.3182 0.3182-0.0000 ( 5648 PWs) bands (ev): -43.6543 -43.6543 -43.5998 -43.5998 -43.5847 -43.5847 -20.4718 -20.4718 -20.4147 -20.4147 -20.2976 -20.2976 -19.8821 -19.8821 -19.7868 -19.7868 -19.7402 -19.7402 -19.6589 -19.6589 -19.6203 -19.6203 -19.5328 -19.5328 -2.0553 -2.0553 6.8017 6.8017 7.5027 7.5027 8.2581 8.2581 8.8082 8.8082 10.4765 10.4765 10.7315 10.7315 11.5470 11.5470 12.6218 12.6218 12.7251 12.7251 13.4792 13.4792 13.7787 13.7787 14.5800 14.5800 15.0125 15.0125 k = 0.3091 0.3091-0.0000 ( 5640 PWs) bands (ev): -43.6565 -43.6565 -43.5987 -43.5987 -43.5837 -43.5837 -20.4722 -20.4722 -20.4168 -20.4168 -20.2920 -20.2920 -19.8844 -19.8844 -19.7861 -19.7861 -19.7424 -19.7424 -19.6542 -19.6542 -19.6235 -19.6235 -19.5311 -19.5311 -2.0893 -2.0893 6.7768 6.7768 7.5636 7.5636 8.2887 8.2887 8.8312 8.8312 10.5044 10.5044 10.7537 10.7537 11.5516 11.5516 12.5725 12.5725 12.6680 12.6680 13.4967 13.4967 13.8014 13.8014 14.5543 14.5543 15.0221 15.0221 k = 0.3000 0.3000-0.0000 ( 5648 PWs) bands (ev): -43.6586 -43.6586 -43.5975 -43.5975 -43.5827 -43.5827 -20.4726 -20.4726 -20.4191 -20.4191 -20.2865 -20.2865 -19.8867 -19.8867 -19.7854 -19.7854 -19.7446 -19.7446 -19.6497 -19.6497 -19.6263 -19.6263 -19.5294 -19.5294 -2.1238 -2.1238 6.7492 6.7492 7.6266 7.6266 8.3217 8.3217 8.8550 8.8550 10.5359 10.5359 10.7765 10.7765 11.5562 11.5562 12.5233 12.5233 12.6112 12.6112 13.5152 13.5152 13.8250 13.8250 14.5217 14.5217 15.0324 15.0324 k = 0.2909 0.2909-0.0000 ( 5662 PWs) bands (ev): -43.6608 -43.6608 -43.5963 -43.5963 -43.5818 -43.5818 -20.4731 -20.4731 -20.4214 -20.4214 -20.2809 -20.2809 -19.8889 -19.8889 -19.7848 -19.7848 -19.7469 -19.7469 -19.6460 -19.6460 -19.6279 -19.6279 -19.5277 -19.5277 -2.1588 -2.1588 6.7190 6.7190 7.6916 7.6916 8.3570 8.3570 8.8795 8.8795 10.5709 10.5709 10.7998 10.7998 11.5606 11.5606 12.4745 12.4745 12.5547 12.5547 13.5346 13.5346 13.8494 13.8494 14.4840 14.4840 15.0331 15.0331 k = 0.2818 0.2818-0.0000 ( 5666 PWs) bands (ev): -43.6630 -43.6630 -43.5951 -43.5951 -43.5810 -43.5810 -20.4737 -20.4737 -20.4238 -20.4238 -20.2754 -20.2754 -19.8912 -19.8912 -19.7842 -19.7842 -19.7491 -19.7491 -19.6439 -19.6439 -19.6276 -19.6276 -19.5259 -19.5259 -2.1940 -2.1940 6.6865 6.6865 7.7584 7.7584 8.3946 8.3946 8.9047 8.9047 10.6089 10.6089 10.8236 10.8236 11.5649 11.5649 12.4261 12.4261 12.4988 12.4988 13.5549 13.5549 13.8746 13.8746 14.4428 14.4428 15.0163 15.0164 k = 0.2727 0.2727-0.0000 ( 5658 PWs) bands (ev): -43.6651 -43.6651 -43.5938 -43.5938 -43.5801 -43.5801 -20.4743 -20.4743 -20.4263 -20.4263 -20.2699 -20.2699 -19.8936 -19.8936 -19.7837 -19.7837 -19.7513 -19.7513 -19.6439 -19.6439 -19.6248 -19.6248 -19.5241 -19.5241 -2.2294 -2.2294 6.6519 6.6519 7.8269 7.8269 8.4342 8.4342 8.9306 8.9306 10.6498 10.6498 10.8477 10.8477 11.5690 11.5690 12.3783 12.3783 12.4434 12.4434 13.5761 13.5761 13.9005 13.9005 14.3994 14.3994 14.9964 14.9964 k = 0.2636 0.2636-0.0000 ( 5662 PWs) bands (ev): -43.6672 -43.6672 -43.5926 -43.5926 -43.5793 -43.5793 -20.4750 -20.4750 -20.4289 -20.4289 -20.2646 -20.2646 -19.8959 -19.8959 -19.7832 -19.7832 -19.7535 -19.7535 -19.6452 -19.6452 -19.6205 -19.6205 -19.5224 -19.5224 -2.2649 -2.2649 6.6157 6.6157 7.8969 7.8969 8.4757 8.4757 8.9569 8.9569 10.6930 10.6930 10.8721 10.8721 11.5729 11.5729 12.3311 12.3311 12.3888 12.3888 13.5983 13.5983 13.9271 13.9271 14.3552 14.3552 14.9759 14.9759 k = 0.2545 0.2545-0.0000 ( 5670 PWs) bands (ev): -43.6693 -43.6693 -43.5913 -43.5913 -43.5785 -43.5785 -20.4758 -20.4758 -20.4316 -20.4316 -20.2594 -20.2594 -19.8982 -19.8982 -19.7829 -19.7829 -19.7556 -19.7556 -19.6469 -19.6469 -19.6153 -19.6153 -19.5206 -19.5206 -2.3003 -2.3003 6.5780 6.5780 7.9684 7.9684 8.5189 8.5189 8.9838 8.9838 10.7381 10.7381 10.8967 10.8967 11.5766 11.5766 12.2848 12.2848 12.3350 12.3350 13.6214 13.6214 13.9544 13.9544 14.3110 14.3110 14.9554 14.9554 k = 0.2455 0.2455-0.0000 ( 5670 PWs) bands (ev): -43.6713 -43.6713 -43.5901 -43.5901 -43.5778 -43.5778 -20.4766 -20.4766 -20.4343 -20.4343 -20.2543 -20.2543 -19.9005 -19.9005 -19.7826 -19.7826 -19.7577 -19.7577 -19.6487 -19.6487 -19.6097 -19.6097 -19.5189 -19.5189 -2.3355 -2.3355 6.5392 6.5392 8.0410 8.0410 8.5635 8.5635 9.0111 9.0111 10.7848 10.7848 10.9214 10.9214 11.5800 11.5800 12.2393 12.2393 12.2822 12.2822 13.6455 13.6455 13.9822 13.9822 14.2679 14.2679 14.9351 14.9351 k = 0.2364 0.2364-0.0000 ( 5672 PWs) bands (ev): -43.6733 -43.6733 -43.5888 -43.5888 -43.5771 -43.5771 -20.4774 -20.4774 -20.4371 -20.4371 -20.2495 -20.2495 -19.9029 -19.9029 -19.7823 -19.7823 -19.7597 -19.7597 -19.6504 -19.6504 -19.6038 -19.6038 -19.5171 -19.5171 -2.3705 -2.3705 6.4996 6.4996 8.1147 8.1147 8.6095 8.6095 9.0388 9.0388 10.8324 10.8324 10.9461 10.9461 11.5831 11.5831 12.1947 12.1947 12.2304 12.2304 13.6706 13.6706 14.0106 14.0106 14.2265 14.2265 14.9149 14.9149 k = 0.2273 0.2273-0.0000 ( 5668 PWs) bands (ev): -43.6753 -43.6753 -43.5876 -43.5876 -43.5764 -43.5764 -20.4782 -20.4782 -20.4400 -20.4400 -20.2448 -20.2448 -19.9052 -19.9052 -19.7822 -19.7822 -19.7616 -19.7616 -19.6519 -19.6519 -19.5979 -19.5979 -19.5154 -19.5154 -2.4051 -2.4051 6.4595 6.4595 8.1892 8.1892 8.6565 8.6565 9.0667 9.0667 10.8806 10.8806 10.9707 10.9707 11.5859 11.5859 12.1512 12.1512 12.1797 12.1797 13.6968 13.6968 14.0393 14.0393 14.1879 14.1879 14.8950 14.8950 k = 0.2182 0.2182-0.0000 ( 5666 PWs) bands (ev): -43.6772 -43.6772 -43.5864 -43.5864 -43.5758 -43.5758 -20.4791 -20.4791 -20.4429 -20.4429 -20.2403 -20.2403 -19.9075 -19.9075 -19.7821 -19.7821 -19.7634 -19.7634 -19.6532 -19.6532 -19.5918 -19.5918 -19.5138 -19.5138 -2.4392 -2.4392 6.4191 6.4191 8.2644 8.2644 8.7044 8.7044 9.0948 9.0948 10.9287 10.9287 10.9950 10.9950 11.5883 11.5883 12.1088 12.1088 12.1303 12.1303 13.7239 13.7239 14.0681 14.0681 14.1528 14.1528 14.8755 14.8755 k = 0.2091 0.2091-0.0000 ( 5672 PWs) bands (ev): -43.6791 -43.6791 -43.5851 -43.5851 -43.5752 -43.5752 -20.4800 -20.4800 -20.4459 -20.4459 -20.2361 -20.2361 -19.9097 -19.9097 -19.7821 -19.7821 -19.7651 -19.7651 -19.6543 -19.6543 -19.5856 -19.5856 -19.5121 -19.5121 -2.4727 -2.4727 6.3787 6.3787 8.3401 8.3401 8.7530 8.7530 9.1230 9.1230 10.9763 10.9763 11.0189 11.0189 11.5904 11.5904 12.0676 12.0676 12.0823 12.0823 13.7522 13.7522 14.0943 14.0943 14.1248 14.1248 14.8564 14.8564 k = 0.2000 0.2000-0.0000 ( 5660 PWs) bands (ev): -43.6809 -43.6809 -43.5839 -43.5839 -43.5746 -43.5746 -20.4809 -20.4809 -20.4488 -20.4488 -20.2320 -20.2320 -19.9119 -19.9119 -19.7822 -19.7822 -19.7668 -19.7668 -19.6552 -19.6552 -19.5795 -19.5795 -19.5105 -19.5105 -2.5055 -2.5055 6.3386 6.3386 8.4160 8.4160 8.8021 8.8021 9.1512 9.1512 11.0227 11.0227 11.0424 11.0424 11.5920 11.5920 12.0274 12.0274 12.0359 12.0359 13.7815 13.7815 14.0884 14.0884 14.1338 14.1338 14.8377 14.8377 k = 0.1909 0.1909-0.0000 ( 5652 PWs) bands (ev): -43.6827 -43.6827 -43.5827 -43.5827 -43.5741 -43.5741 -20.4818 -20.4818 -20.4519 -20.4519 -20.2283 -20.2283 -19.9141 -19.9141 -19.7823 -19.7823 -19.7683 -19.7683 -19.6559 -19.6559 -19.5733 -19.5733 -19.5090 -19.5090 -2.5376 -2.5376 6.2989 6.2989 8.4919 8.4919 8.8514 8.8514 9.1794 9.1794 11.0653 11.0653 11.0675 11.0675 11.5933 11.5933 11.9874 11.9874 11.9922 11.9922 13.8119 13.8119 14.0676 14.0676 14.1632 14.1632 14.8196 14.8196 k = 0.1818 0.1818-0.0000 ( 5660 PWs) bands (ev): -43.6844 -43.6844 -43.5816 -43.5816 -43.5735 -43.5735 -20.4827 -20.4827 -20.4549 -20.4549 -20.2248 -20.2248 -19.9162 -19.9162 -19.7824 -19.7824 -19.7698 -19.7698 -19.6564 -19.6564 -19.5671 -19.5671 -19.5075 -19.5075 -2.5688 -2.5688 6.2600 6.2600 8.5676 8.5676 8.9009 8.9009 9.2074 9.2074 11.0875 11.0875 11.1100 11.1100 11.5942 11.5942 11.9457 11.9457 11.9533 11.9533 13.8434 13.8434 14.0509 14.0509 14.1945 14.1945 14.8020 14.8020 k = 0.1727 0.1727-0.0000 ( 5659 PWs) bands (ev): -43.6861 -43.6861 -43.5805 -43.5805 -43.5731 -43.5731 -20.4836 -20.4836 -20.4579 -20.4579 -20.2215 -20.2215 -19.9182 -19.9182 -19.7826 -19.7826 -19.7711 -19.7711 -19.6568 -19.6568 -19.5611 -19.5611 -19.5060 -19.5060 -2.5990 -2.5990 6.2219 6.2219 8.6429 8.6429 8.9502 8.9502 9.2350 9.2350 11.1088 11.1088 11.1497 11.1497 11.5947 11.5947 11.9043 11.9043 11.9173 11.9173 13.8760 13.8760 14.0398 14.0398 14.2267 14.2267 14.7850 14.7850 k = 0.1636 0.1636-0.0000 ( 5659 PWs) bands (ev): -43.6877 -43.6877 -43.5794 -43.5794 -43.5726 -43.5726 -20.4845 -20.4845 -20.4609 -20.4609 -20.2185 -20.2185 -19.9201 -19.9201 -19.7827 -19.7827 -19.7724 -19.7724 -19.6570 -19.6570 -19.5550 -19.5550 -19.5046 -19.5046 -2.6282 -2.6282 6.1848 6.1848 8.7174 8.7174 8.9991 8.9991 9.2623 9.2623 11.1291 11.1291 11.1861 11.1861 11.5948 11.5948 11.8647 11.8647 11.8831 11.8831 13.9097 13.9097 14.0349 14.0349 14.2597 14.2597 14.7687 14.7687 k = 0.1545 0.1545-0.0000 ( 5675 PWs) bands (ev): -43.6892 -43.6892 -43.5783 -43.5783 -43.5722 -43.5722 -20.4854 -20.4854 -20.4639 -20.4639 -20.2157 -20.2157 -19.9220 -19.9220 -19.7829 -19.7829 -19.7736 -19.7736 -19.6570 -19.6570 -19.5492 -19.5492 -19.5033 -19.5033 -2.6563 -2.6563 6.1490 6.1490 8.7909 8.7909 9.0476 9.0476 9.2891 9.2891 11.1484 11.1484 11.2189 11.2189 11.5945 11.5945 11.8271 11.8271 11.8504 11.8504 13.9444 13.9444 14.0364 14.0364 14.2937 14.2937 14.7531 14.7531 k = 0.1455 0.1455-0.0000 ( 5665 PWs) bands (ev): -43.6906 -43.6906 -43.5773 -43.5773 -43.5718 -43.5718 -20.4863 -20.4863 -20.4668 -20.4668 -20.2131 -20.2131 -19.9237 -19.9237 -19.7831 -19.7831 -19.7748 -19.7748 -19.6570 -19.6570 -19.5434 -19.5434 -19.5020 -19.5020 -2.6831 -2.6831 6.1145 6.1145 8.8631 8.8631 9.0952 9.0952 9.3153 9.3153 11.1665 11.1665 11.2475 11.2475 11.5938 11.5938 11.7918 11.7918 11.8194 11.8194 13.9800 13.9800 14.0447 14.0447 14.3286 14.3286 14.7381 14.7381 k = 0.1364 0.1364-0.0000 ( 5669 PWs) bands (ev): -43.6920 -43.6920 -43.5763 -43.5763 -43.5714 -43.5714 -20.4871 -20.4871 -20.4697 -20.4697 -20.2108 -20.2108 -19.9254 -19.9254 -19.7832 -19.7832 -19.7759 -19.7759 -19.6568 -19.6568 -19.5378 -19.5378 -19.5007 -19.5007 -2.7088 -2.7088 6.0815 6.0815 8.9337 8.9337 9.1419 9.1419 9.3408 9.3408 11.1832 11.1832 11.2718 11.2718 11.5929 11.5929 11.7590 11.7590 11.7901 11.7901 14.0162 14.0162 14.0601 14.0601 14.3646 14.3646 14.7239 14.7239 k = 0.1273 0.1273-0.0000 ( 5665 PWs) bands (ev): -43.6933 -43.6933 -43.5754 -43.5754 -43.5710 -43.5710 -20.4879 -20.4879 -20.4724 -20.4724 -20.2087 -20.2087 -19.9269 -19.9269 -19.7834 -19.7834 -19.7769 -19.7769 -19.6566 -19.6566 -19.5324 -19.5324 -19.4996 -19.4996 -2.7331 -2.7331 6.0502 6.0502 9.0023 9.0023 9.1874 9.1874 9.3654 9.3654 11.1987 11.1987 11.2914 11.2914 11.5916 11.5916 11.7289 11.7289 11.7625 11.7625 14.0523 14.0523 14.0832 14.0832 14.4017 14.4017 14.7105 14.7105 k = 0.1182 0.1182-0.0000 ( 5649 PWs) bands (ev): -43.6946 -43.6946 -43.5745 -43.5745 -43.5707 -43.5707 -20.4887 -20.4887 -20.4751 -20.4751 -20.2069 -20.2069 -19.9284 -19.9284 -19.7835 -19.7835 -19.7778 -19.7778 -19.6563 -19.6563 -19.5273 -19.5273 -19.4985 -19.4985 -2.7559 -2.7559 6.0205 6.0205 9.0687 9.0687 9.2314 9.2314 9.3890 9.3890 11.2126 11.2126 11.3064 11.3064 11.5902 11.5902 11.7017 11.7017 11.7366 11.7366 14.0880 14.0880 14.1140 14.1140 14.4402 14.4402 14.6980 14.6980 k = 0.1091 0.1091-0.0000 ( 5649 PWs) bands (ev): -43.6957 -43.6957 -43.5737 -43.5737 -43.5704 -43.5704 -20.4894 -20.4894 -20.4777 -20.4777 -20.2052 -20.2052 -19.9297 -19.9297 -19.7836 -19.7836 -19.7787 -19.7787 -19.6559 -19.6559 -19.5223 -19.5223 -19.4975 -19.4975 -2.7774 -2.7774 5.9927 5.9927 9.1324 9.1324 9.2737 9.2737 9.4116 9.4116 11.2251 11.2251 11.3168 11.3168 11.5885 11.5885 11.6775 11.6775 11.7126 11.7126 14.1245 14.1245 14.1509 14.1509 14.4801 14.4801 14.6862 14.6862 k = 0.1000 0.1000-0.0000 ( 5639 PWs) bands (ev): -43.6968 -43.6968 -43.5729 -43.5729 -43.5701 -43.5701 -20.4901 -20.4901 -20.4801 -20.4801 -20.2037 -20.2037 -19.9309 -19.9309 -19.7837 -19.7837 -19.7795 -19.7795 -19.6556 -19.6556 -19.5177 -19.5177 -19.4965 -19.4965 -2.7973 -2.7973 5.9668 5.9668 9.1931 9.1931 9.3140 9.3140 9.4330 9.4330 11.2362 11.2362 11.3228 11.3228 11.5866 11.5866 11.6564 11.6564 11.6903 11.6903 14.1636 14.1636 14.1915 14.1915 14.5215 14.5215 14.6754 14.6754 k = 0.0909 0.0909-0.0000 ( 5639 PWs) bands (ev): -43.6978 -43.6978 -43.5722 -43.5722 -43.5699 -43.5699 -20.4908 -20.4908 -20.4824 -20.4824 -20.2024 -20.2024 -19.9320 -19.9320 -19.7837 -19.7837 -19.7802 -19.7802 -19.6552 -19.6552 -19.5134 -19.5134 -19.4957 -19.4957 -2.8157 -2.8157 5.9429 5.9429 9.2503 9.2503 9.3521 9.3521 9.4530 9.4530 11.2457 11.2457 11.3249 11.3249 11.5846 11.5846 11.6383 11.6383 11.6699 11.6699 14.2061 14.2061 14.2344 14.2344 14.5644 14.5644 14.6654 14.6654 k = 0.0818 0.0818-0.0000 ( 5645 PWs) bands (ev): -43.6987 -43.6987 -43.5716 -43.5716 -43.5696 -43.5696 -20.4914 -20.4914 -20.4845 -20.4845 -20.2012 -20.2012 -19.9330 -19.9330 -19.7838 -19.7838 -19.7809 -19.7809 -19.6548 -19.6548 -19.5094 -19.5094 -19.4949 -19.4949 -2.8325 -2.8325 5.9211 5.9211 9.3038 9.3038 9.3877 9.3877 9.4717 9.4717 11.2538 11.2538 11.3236 11.3236 11.5826 11.5826 11.6232 11.6232 11.6513 11.6513 14.2516 14.2516 14.2791 14.2791 14.6086 14.6086 14.6566 14.6566 k = 0.0727 0.0727-0.0000 ( 5645 PWs) bands (ev): -43.6995 -43.6995 -43.5710 -43.5710 -43.5694 -43.5694 -20.4919 -20.4919 -20.4864 -20.4864 -20.2003 -20.2003 -19.9339 -19.9339 -19.7838 -19.7838 -19.7815 -19.7815 -19.6544 -19.6544 -19.5057 -19.5057 -19.4941 -19.4941 -2.8476 -2.8476 5.9014 5.9014 9.3529 9.3529 9.4206 9.4206 9.4888 9.4888 11.2606 11.2606 11.3196 11.3196 11.5806 11.5806 11.6106 11.6106 11.6346 11.6346 14.2996 14.2996 14.3252 14.3252 14.6451 14.6451 14.6581 14.6581 k = 0.0636 0.0636-0.0000 ( 5645 PWs) bands (ev): -43.7002 -43.7002 -43.5704 -43.5704 -43.5693 -43.5693 -20.4924 -20.4924 -20.4881 -20.4881 -20.1994 -20.1994 -19.9346 -19.9346 -19.7839 -19.7839 -19.7821 -19.7821 -19.6541 -19.6541 -19.5025 -19.5025 -19.4935 -19.4935 -2.8610 -2.8610 5.8839 5.8839 9.3974 9.3974 9.4503 9.4503 9.5044 9.5044 11.2661 11.2661 11.3139 11.3139 11.5787 11.5787 11.6004 11.6004 11.6199 11.6199 14.3489 14.3489 14.3724 14.3724 14.6401 14.6401 14.7033 14.7033 k = 0.0545 0.0545-0.0000 ( 5653 PWs) bands (ev): -43.7008 -43.7008 -43.5700 -43.5700 -43.5691 -43.5691 -20.4928 -20.4928 -20.4897 -20.4897 -20.1987 -20.1987 -19.9353 -19.9353 -19.7839 -19.7839 -19.7825 -19.7825 -19.6538 -19.6538 -19.4996 -19.4996 -19.4930 -19.4930 -2.8727 -2.8727 5.8687 5.8687 9.4368 9.4368 9.4766 9.4766 9.5185 9.5185 11.2705 11.2705 11.3072 11.3072 11.5769 11.5769 11.5920 11.5920 11.6070 11.6070 14.3986 14.3986 14.4203 14.4203 14.6340 14.6340 14.7515 14.7515 k = 0.0455 0.0455-0.0000 ( 5657 PWs) bands (ev): -43.7013 -43.7013 -43.5696 -43.5696 -43.5690 -43.5690 -20.4932 -20.4932 -20.4910 -20.4910 -20.1981 -20.1981 -19.9358 -19.9358 -19.7839 -19.7839 -19.7829 -19.7829 -19.6535 -19.6535 -19.4971 -19.4971 -19.4925 -19.4925 -2.8827 -2.8827 5.8557 5.8557 9.4706 9.4706 9.4991 9.4991 9.5311 9.5311 11.2738 11.2738 11.3002 11.3002 11.5752 11.5752 11.5853 11.5853 11.5962 11.5962 14.4475 14.4475 14.4679 14.4679 14.6288 14.6288 14.8001 14.8001 k = 0.0364 0.0364-0.0000 ( 5669 PWs) bands (ev): -43.7018 -43.7018 -43.5693 -43.5693 -43.5689 -43.5689 -20.4935 -20.4935 -20.4921 -20.4921 -20.1976 -20.1976 -19.9363 -19.9363 -19.7839 -19.7839 -19.7833 -19.7833 -19.6532 -19.6532 -19.4951 -19.4951 -19.4921 -19.4921 -2.8908 -2.8908 5.8450 5.8450 9.4983 9.4983 9.5173 9.5173 9.5425 9.5425 11.2763 11.2763 11.2936 11.2936 11.5738 11.5738 11.5801 11.5801 11.5873 11.5873 14.4944 14.4944 14.5137 14.5137 14.6247 14.6247 14.8477 14.8477 k = 0.0273 0.0273-0.0000 ( 5673 PWs) bands (ev): -43.7021 -43.7021 -43.5690 -43.5690 -43.5688 -43.5688 -20.4937 -20.4937 -20.4929 -20.4929 -20.1973 -20.1973 -19.9366 -19.9366 -19.7839 -19.7839 -19.7835 -19.7835 -19.6530 -19.6530 -19.4935 -19.4935 -19.4918 -19.4918 -2.8972 -2.8972 5.8367 5.8367 9.5198 9.5198 9.5309 9.5309 9.5529 9.5529 11.2781 11.2781 11.2880 11.2880 11.5726 11.5726 11.5762 11.5762 11.5804 11.5804 14.5378 14.5378 14.5550 14.5550 14.6217 14.6217 14.8919 14.8919 k = 0.0182 0.0182-0.0000 ( 5667 PWs) bands (ev): -43.7024 -43.7024 -43.5688 -43.5688 -43.5687 -43.5687 -20.4939 -20.4939 -20.4935 -20.4935 -20.1970 -20.1970 -19.9369 -19.9369 -19.7839 -19.7839 -19.7837 -19.7837 -19.6529 -19.6529 -19.4923 -19.4923 -19.4916 -19.4916 -2.9018 -2.9018 5.8307 5.8307 9.5347 9.5347 9.5398 9.5398 9.5617 9.5617 11.2792 11.2792 11.2837 11.2837 11.5714 11.5714 11.5736 11.5736 11.5755 11.5755 14.5747 14.5747 14.5882 14.5882 14.6207 14.6207 14.9273 14.9273 k = 0.0091 0.0091-0.0000 ( 5695 PWs) bands (ev): -43.7025 -43.7025 -43.5687 -43.5687 -43.5687 -43.5687 -20.4940 -20.4940 -20.4939 -20.4939 -20.1969 -20.1969 -19.9370 -19.9370 -19.7839 -19.7839 -19.7838 -19.7838 -19.6528 -19.6528 -19.4916 -19.4916 -19.4915 -19.4915 -2.9046 -2.9046 5.8271 5.8271 9.5434 9.5434 9.5447 9.5447 9.5679 9.5679 11.2799 11.2799 11.2810 11.2810 11.5703 11.5703 11.5723 11.5723 11.5728 11.5728 14.6004 14.6004 14.6064 14.6064 14.6246 14.6246 14.9424 14.9424 k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -43.7026 -43.7026 -43.5687 -43.5687 -43.5687 -43.5687 -20.4940 -20.4940 -20.4940 -20.4940 -20.1968 -20.1968 -19.9371 -19.9371 -19.7839 -19.7839 -19.7839 -19.7839 -19.6528 -19.6528 -19.4914 -19.4914 -19.4914 -19.4914 -2.9055 -2.9055 5.8259 5.8259 9.5463 9.5463 9.5463 9.5463 9.5701 9.5701 11.2801 11.2801 11.2801 11.2801 11.5698 11.5698 11.5719 11.5719 11.5719 11.5719 14.6098 14.6098 14.6098 14.6098 14.6293 14.6293 14.9416 14.9416 k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -43.7026 -43.7026 -43.5687 -43.5687 -43.5687 -43.5687 -20.4940 -20.4940 -20.4940 -20.4940 -20.1968 -20.1968 -19.9371 -19.9371 -19.7839 -19.7839 -19.7839 -19.7839 -19.6528 -19.6528 -19.4914 -19.4914 -19.4914 -19.4914 -2.9055 -2.9055 5.8259 5.8259 9.5463 9.5463 9.5463 9.5463 9.5701 9.5701 11.2801 11.2801 11.2801 11.2801 11.5698 11.5698 11.5719 11.5719 11.5719 11.5719 14.6098 14.6098 14.6098 14.6098 14.6293 14.6293 14.9416 14.9416 k = 0.0075 0.0075 0.0075 ( 5695 PWs) bands (ev): -43.7025 -43.7025 -43.5687 -43.5687 -43.5687 -43.5687 -20.4940 -20.4940 -20.4939 -20.4939 -20.1969 -20.1969 -19.9370 -19.9370 -19.7839 -19.7839 -19.7839 -19.7839 -19.6528 -19.6528 -19.4917 -19.4917 -19.4914 -19.4914 -2.9045 -2.9045 5.8272 5.8272 9.5437 9.5437 9.5444 9.5444 9.5678 9.5678 11.2804 11.2804 11.2805 11.2805 11.5703 11.5703 11.5723 11.5723 11.5728 11.5728 14.5993 14.5993 14.6076 14.6076 14.6244 14.6244 14.9434 14.9434 k = 0.0149 0.0149 0.0149 ( 5671 PWs) bands (ev): -43.7024 -43.7024 -43.5688 -43.5688 -43.5688 -43.5688 -20.4939 -20.4939 -20.4935 -20.4935 -20.1970 -20.1970 -19.9369 -19.9369 -19.7838 -19.7838 -19.7838 -19.7838 -19.6529 -19.6529 -19.4924 -19.4924 -19.4916 -19.4916 -2.9018 -2.9018 5.8308 5.8308 9.5359 9.5359 9.5387 9.5387 9.5613 9.5613 11.2815 11.2815 11.2815 11.2815 11.5710 11.5710 11.5742 11.5742 11.5754 11.5754 14.5672 14.5672 14.6010 14.6010 14.6140 14.6140 14.9422 14.9422 k = 0.0224 0.0224 0.0224 ( 5656 PWs) bands (ev): -43.7021 -43.7021 -43.5689 -43.5689 -43.5689 -43.5689 -20.4937 -20.4937 -20.4929 -20.4929 -20.1973 -20.1973 -19.9366 -19.9366 -19.7838 -19.7838 -19.7836 -19.7836 -19.6530 -19.6530 -19.4936 -19.4936 -19.4917 -19.4917 -2.8971 -2.8971 5.8368 5.8368 9.5231 9.5231 9.5288 9.5288 9.5510 9.5510 11.2830 11.2830 11.2831 11.2831 11.5711 11.5711 11.5784 11.5784 11.5799 11.5799 14.5199 14.5199 14.5901 14.5901 14.5996 14.5996 14.9359 14.9359 k = 0.0299 0.0299 0.0299 ( 5665 PWs) bands (ev): -43.7018 -43.7018 -43.5691 -43.5691 -43.5691 -43.5691 -20.4935 -20.4935 -20.4920 -20.4920 -20.1977 -20.1977 -19.9363 -19.9363 -19.7838 -19.7838 -19.7834 -19.7834 -19.6532 -19.6532 -19.4953 -19.4953 -19.4920 -19.4920 -2.8907 -2.8907 5.8452 5.8452 9.5053 9.5053 9.5138 9.5138 9.5377 9.5377 11.2850 11.2850 11.2851 11.2851 11.5709 11.5709 11.5846 11.5846 11.5862 11.5862 14.4641 14.4641 14.5751 14.5751 14.5810 14.5810 14.9278 14.9278 k = 0.0373 0.0373 0.0373 ( 5668 PWs) bands (ev): -43.7013 -43.7013 -43.5693 -43.5693 -43.5693 -43.5693 -20.4932 -20.4932 -20.4909 -20.4909 -20.1981 -20.1981 -19.9358 -19.9358 -19.7837 -19.7837 -19.7831 -19.7831 -19.6535 -19.6535 -19.4974 -19.4974 -19.4923 -19.4923 -2.8824 -2.8824 5.8560 5.8560 9.4827 9.4827 9.4934 9.4934 9.5224 9.5224 11.2870 11.2870 11.2872 11.2872 11.5702 11.5702 11.5928 11.5928 11.5946 11.5946 14.4037 14.4037 14.5566 14.5566 14.5588 14.5588 14.9203 14.9203 k = 0.0448 0.0448 0.0448 ( 5656 PWs) bands (ev): -43.7008 -43.7008 -43.5696 -43.5696 -43.5696 -43.5696 -20.4928 -20.4928 -20.4896 -20.4896 -20.1987 -20.1987 -19.9353 -19.9353 -19.7836 -19.7836 -19.7828 -19.7828 -19.6537 -19.6537 -19.5000 -19.5000 -19.4926 -19.4926 -2.8723 -2.8723 5.8692 5.8692 9.4555 9.4555 9.4676 9.4676 9.5050 9.5050 11.2890 11.2890 11.2892 11.2892 11.5688 11.5688 11.6032 11.6032 11.6052 11.6052 14.3409 14.3409 14.5339 14.5339 14.5351 14.5351 14.9142 14.9142 k = 0.0522 0.0522 0.0522 ( 5650 PWs) bands (ev): -43.7002 -43.7002 -43.5699 -43.5699 -43.5699 -43.5699 -20.4925 -20.4925 -20.4880 -20.4880 -20.1994 -20.1994 -19.9346 -19.9346 -19.7836 -19.7836 -19.7824 -19.7824 -19.6540 -19.6540 -19.5030 -19.5030 -19.4931 -19.4931 -2.8604 -2.8604 5.8847 5.8847 9.4240 9.4240 9.4370 9.4370 9.4856 9.4856 11.2906 11.2906 11.2909 11.2909 11.5664 11.5664 11.6159 11.6159 11.6180 11.6180 14.2773 14.2773 14.5073 14.5073 14.5117 14.5117 14.9081 14.9081 k = 0.0597 0.0597 0.0597 ( 5650 PWs) bands (ev): -43.6994 -43.6994 -43.5702 -43.5702 -43.5702 -43.5702 -20.4920 -20.4920 -20.4863 -20.4863 -20.2003 -20.2003 -19.9338 -19.9338 -19.7835 -19.7835 -19.7819 -19.7819 -19.6544 -19.6544 -19.5064 -19.5064 -19.4936 -19.4936 -2.8467 -2.8467 5.9025 5.9025 9.3885 9.3885 9.4019 9.4019 9.4640 9.4640 11.2916 11.2916 11.2919 11.2919 11.5626 11.5626 11.6309 11.6309 11.6333 11.6333 14.2140 14.2140 14.4802 14.4802 14.4872 14.4872 14.9013 14.9013 k = 0.0672 0.0672 0.0672 ( 5653 PWs) bands (ev): -43.6986 -43.6986 -43.5706 -43.5706 -43.5706 -43.5706 -20.4916 -20.4916 -20.4843 -20.4843 -20.2013 -20.2013 -19.9329 -19.9329 -19.7834 -19.7834 -19.7813 -19.7813 -19.6547 -19.6547 -19.5102 -19.5102 -19.4941 -19.4941 -2.8313 -2.8313 5.9225 5.9225 9.3492 9.3492 9.3628 9.3628 9.4402 9.4402 11.2919 11.2919 11.2922 11.2922 11.5572 11.5572 11.6484 11.6484 11.6509 11.6509 14.1520 14.1520 14.4532 14.4532 14.4624 14.4624 14.8964 14.8964 k = 0.0746 0.0746 0.0746 ( 5653 PWs) bands (ev): -43.6977 -43.6977 -43.5711 -43.5711 -43.5711 -43.5711 -20.4911 -20.4911 -20.4821 -20.4821 -20.2025 -20.2025 -19.9319 -19.9319 -19.7834 -19.7834 -19.7807 -19.7807 -19.6550 -19.6550 -19.5144 -19.5144 -19.4947 -19.4947 -2.8141 -2.8141 5.9448 5.9448 9.3063 9.3063 9.3200 9.3200 9.4142 9.4142 11.2913 11.2913 11.2916 11.2916 11.5497 11.5497 11.6683 11.6683 11.6710 11.6710 14.0921 14.0921 14.4272 14.4272 14.4380 14.4380 14.8927 14.8927 k = 0.0821 0.0821 0.0821 ( 5659 PWs) bands (ev): -43.6967 -43.6967 -43.5715 -43.5715 -43.5715 -43.5715 -20.4906 -20.4906 -20.4797 -20.4797 -20.2039 -20.2039 -19.9308 -19.9308 -19.7833 -19.7833 -19.7800 -19.7800 -19.6553 -19.6553 -19.5190 -19.5190 -19.4953 -19.4953 -2.7953 -2.7953 5.9692 5.9692 9.2603 9.2603 9.2740 9.2740 9.3860 9.3860 11.2897 11.2897 11.2901 11.2901 11.5398 11.5398 11.6907 11.6907 11.6935 11.6935 14.0350 14.0350 14.4024 14.4024 14.4147 14.4147 14.8899 14.8899 k = 0.0896 0.0896 0.0896 ( 5659 PWs) bands (ev): -43.6956 -43.6956 -43.5721 -43.5721 -43.5721 -43.5721 -20.4901 -20.4901 -20.4772 -20.4772 -20.2054 -20.2054 -19.9295 -19.9295 -19.7833 -19.7833 -19.7792 -19.7792 -19.6556 -19.6556 -19.5238 -19.5238 -19.4960 -19.4960 -2.7748 -2.7748 5.9957 5.9957 9.2112 9.2112 9.2248 9.2248 9.3559 9.3559 11.2872 11.2872 11.2875 11.2875 11.5270 11.5270 11.7153 11.7153 11.7183 11.7183 13.9812 13.9812 14.3794 14.3794 14.3928 14.3928 14.8876 14.8876 k = 0.0970 0.0970 0.0970 ( 5653 PWs) bands (ev): -43.6945 -43.6945 -43.5726 -43.5726 -43.5726 -43.5726 -20.4897 -20.4897 -20.4745 -20.4745 -20.2071 -20.2071 -19.9282 -19.9282 -19.7833 -19.7833 -19.7783 -19.7783 -19.6559 -19.6559 -19.5290 -19.5290 -19.4967 -19.4967 -2.7527 -2.7527 6.0242 6.0242 9.1595 9.1595 9.1730 9.1730 9.3239 9.3239 11.2837 11.2837 11.2840 11.2840 11.5112 11.5112 11.7422 11.7422 11.7454 11.7454 13.9315 13.9315 14.3583 14.3583 14.3726 14.3726 14.8854 14.8854 k = 0.1045 0.1045 0.1045 ( 5659 PWs) bands (ev): -43.6932 -43.6932 -43.5732 -43.5732 -43.5732 -43.5732 -20.4892 -20.4892 -20.4717 -20.4717 -20.2091 -20.2091 -19.9266 -19.9266 -19.7833 -19.7833 -19.7773 -19.7773 -19.6560 -19.6560 -19.5344 -19.5344 -19.4975 -19.4975 -2.7289 -2.7289 6.0548 6.0548 9.1054 9.1054 9.1186 9.1186 9.2900 9.2900 11.2794 11.2794 11.2797 11.2797 11.4920 11.4920 11.7713 11.7713 11.7745 11.7745 13.8861 13.8861 14.3392 14.3392 14.3542 14.3542 14.8830 14.8830 k = 0.1119 0.1119 0.1119 ( 5659 PWs) bands (ev): -43.6919 -43.6919 -43.5739 -43.5739 -43.5739 -43.5739 -20.4888 -20.4888 -20.4687 -20.4687 -20.2113 -20.2113 -19.9250 -19.9250 -19.7834 -19.7834 -19.7762 -19.7762 -19.6561 -19.6561 -19.5400 -19.5400 -19.4983 -19.4983 -2.7037 -2.7037 6.0872 6.0872 9.0490 9.0490 9.0621 9.0621 9.2545 9.2545 11.2742 11.2742 11.2745 11.2745 11.4692 11.4692 11.8023 11.8023 11.8057 11.8057 13.8455 13.8455 14.3223 14.3223 14.3378 14.3378 14.8803 14.8803 k = 0.1194 0.1194 0.1194 ( 5665 PWs) bands (ev): -43.6905 -43.6905 -43.5746 -43.5746 -43.5746 -43.5746 -20.4885 -20.4885 -20.4657 -20.4657 -20.2137 -20.2137 -19.9232 -19.9232 -19.7836 -19.7836 -19.7750 -19.7750 -19.6561 -19.6561 -19.5458 -19.5458 -19.4990 -19.4990 -2.6769 -2.6769 6.1214 6.1214 8.9907 8.9907 9.0035 9.0035 9.2173 9.2173 11.2684 11.2684 11.2686 11.2686 11.4429 11.4429 11.8353 11.8353 11.8387 11.8387 13.8098 13.8098 14.3074 14.3074 14.3234 14.3234 14.8771 14.8771 k = 0.1269 0.1269 0.1269 ( 5671 PWs) bands (ev): -43.6890 -43.6890 -43.5753 -43.5753 -43.5753 -43.5753 -20.4882 -20.4882 -20.4625 -20.4625 -20.2164 -20.2164 -19.9213 -19.9213 -19.7838 -19.7838 -19.7737 -19.7737 -19.6560 -19.6560 -19.5517 -19.5517 -19.4998 -19.4998 -2.6487 -2.6487 6.1573 6.1573 8.9307 8.9307 8.9433 8.9433 9.1786 9.1786 11.2620 11.2620 11.2622 11.2622 11.4129 11.4129 11.8700 11.8700 11.8736 11.8736 13.7792 13.7792 14.2944 14.2944 14.3107 14.3107 14.8734 14.8734 k = 0.1343 0.1343 0.1343 ( 5674 PWs) bands (ev): -43.6875 -43.6875 -43.5760 -43.5760 -43.5760 -43.5760 -20.4880 -20.4880 -20.4593 -20.4593 -20.2194 -20.2194 -19.9192 -19.9192 -19.7842 -19.7842 -19.7722 -19.7722 -19.6557 -19.6557 -19.5578 -19.5578 -19.5007 -19.5007 -2.6191 -2.6191 6.1948 6.1948 8.8691 8.8691 8.8814 8.8814 9.1385 9.1385 11.2551 11.2551 11.2553 11.2553 11.3794 11.3794 11.9063 11.9063 11.9100 11.9100 13.7537 13.7537 14.2833 14.2833 14.2998 14.2998 14.8691 14.8691 k = 0.1418 0.1418 0.1418 ( 5665 PWs) bands (ev): -43.6859 -43.6859 -43.5768 -43.5768 -43.5768 -43.5768 -20.4880 -20.4880 -20.4561 -20.4561 -20.2226 -20.2226 -19.9170 -19.9170 -19.7846 -19.7846 -19.7707 -19.7707 -19.6553 -19.6553 -19.5639 -19.5639 -19.5015 -19.5015 -2.5881 -2.5881 6.2338 6.2338 8.8063 8.8063 8.8183 8.8183 9.0971 9.0971 11.2479 11.2479 11.2481 11.2481 11.3427 11.3427 11.9442 11.9442 11.9481 11.9481 13.7331 13.7331 14.2738 14.2738 14.2905 14.2905 14.8643 14.8644 k = 0.1493 0.1493 0.1493 ( 5659 PWs) bands (ev): -43.6842 -43.6842 -43.5776 -43.5776 -43.5776 -43.5776 -20.4880 -20.4880 -20.4528 -20.4528 -20.2262 -20.2262 -19.9146 -19.9146 -19.7851 -19.7851 -19.7690 -19.7690 -19.6547 -19.6547 -19.5700 -19.5700 -19.5023 -19.5023 -2.5558 -2.5558 6.2742 6.2742 8.7423 8.7423 8.7540 8.7540 9.0545 9.0545 11.2404 11.2404 11.2407 11.2407 11.3029 11.3029 11.9836 11.9836 11.9875 11.9875 13.7171 13.7171 14.2656 14.2656 14.2823 14.2823 14.8592 14.8592 k = 0.1567 0.1567 0.1567 ( 5677 PWs) bands (ev): -43.6825 -43.6825 -43.5785 -43.5785 -43.5785 -43.5785 -20.4881 -20.4881 -20.4495 -20.4495 -20.2300 -20.2300 -19.9121 -19.9121 -19.7858 -19.7858 -19.7671 -19.7671 -19.6539 -19.6539 -19.5761 -19.5761 -19.5031 -19.5031 -2.5223 -2.5223 6.3158 6.3158 8.6775 8.6775 8.6887 8.6887 9.0107 9.0107 11.2329 11.2329 11.2331 11.2331 11.2607 11.2607 12.0243 12.0243 12.0283 12.0283 13.7055 13.7055 14.2584 14.2584 14.2751 14.2751 14.8539 14.8539 k = 0.1642 0.1642 0.1642 ( 5677 PWs) bands (ev): -43.6807 -43.6807 -43.5793 -43.5793 -43.5793 -43.5793 -20.4885 -20.4885 -20.4462 -20.4462 -20.2341 -20.2341 -19.9095 -19.9095 -19.7866 -19.7866 -19.7652 -19.7652 -19.6529 -19.6529 -19.5821 -19.5821 -19.5039 -19.5039 -2.4875 -2.4875 6.3584 6.3584 8.6118 8.6118 8.6227 8.6227 8.9659 8.9659 11.2162 11.2162 11.2254 11.2254 11.2258 11.2258 12.0663 12.0663 12.0704 12.0704 13.6979 13.6979 14.2520 14.2520 14.2686 14.2686 14.8487 14.8487 k = 0.1716 0.1716 0.1716 ( 5677 PWs) bands (ev): -43.6789 -43.6789 -43.5802 -43.5802 -43.5802 -43.5802 -20.4889 -20.4889 -20.4429 -20.4429 -20.2385 -20.2385 -19.9067 -19.9067 -19.7876 -19.7876 -19.7630 -19.7630 -19.6517 -19.6517 -19.5880 -19.5880 -19.5046 -19.5046 -2.4517 -2.4517 6.4019 6.4019 8.5456 8.5456 8.5561 8.5561 8.9202 8.9202 11.1703 11.1703 11.2180 11.2180 11.2184 11.2184 12.1094 12.1094 12.1136 12.1136 13.6937 13.6937 14.2458 14.2458 14.2622 14.2622 14.8439 14.8439 k = 0.1791 0.1791 0.1791 ( 5665 PWs) bands (ev): -43.6770 -43.6770 -43.5811 -43.5811 -43.5811 -43.5811 -20.4896 -20.4896 -20.4397 -20.4397 -20.2432 -20.2432 -19.9039 -19.9039 -19.7887 -19.7887 -19.7608 -19.7608 -19.6503 -19.6503 -19.5938 -19.5938 -19.5054 -19.5054 -2.4148 -2.4148 6.4462 6.4462 8.4789 8.4789 8.4891 8.4891 8.8736 8.8736 11.1232 11.1232 11.2109 11.2109 11.2114 11.2114 12.1536 12.1536 12.1579 12.1579 13.6926 13.6926 14.2395 14.2395 14.2555 14.2555 14.8398 14.8398 k = 0.1866 0.1866 0.1866 ( 5668 PWs) bands (ev): -43.6751 -43.6751 -43.5821 -43.5821 -43.5821 -43.5821 -20.4904 -20.4904 -20.4365 -20.4365 -20.2482 -20.2482 -19.9009 -19.9009 -19.7900 -19.7900 -19.7584 -19.7584 -19.6487 -19.6487 -19.5994 -19.5994 -19.5061 -19.5061 -2.3769 -2.3769 6.4910 6.4910 8.4120 8.4120 8.4217 8.4217 8.8263 8.8263 11.0756 11.0756 11.2042 11.2042 11.2048 11.2048 12.1987 12.1987 12.2032 12.2032 13.6939 13.6939 14.2327 14.2327 14.2482 14.2482 14.8368 14.8368 k = 0.1940 0.1940 0.1940 ( 5674 PWs) bands (ev): -43.6731 -43.6731 -43.5830 -43.5830 -43.5830 -43.5830 -20.4914 -20.4914 -20.4334 -20.4334 -20.2534 -20.2534 -19.8979 -19.8979 -19.7916 -19.7916 -19.7558 -19.7558 -19.6468 -19.6468 -19.6047 -19.6047 -19.5067 -19.5067 -2.3381 -2.3381 6.5360 6.5360 8.3449 8.3449 8.3543 8.3543 8.7784 8.7784 11.0280 11.0280 11.1980 11.1980 11.1987 11.1987 12.2448 12.2448 12.2493 12.2493 13.6972 13.6972 14.2248 14.2248 14.2397 14.2397 14.8352 14.8352 k = 0.2015 0.2015 0.2015 ( 5677 PWs) bands (ev): -43.6711 -43.6711 -43.5840 -43.5840 -43.5840 -43.5840 -20.4927 -20.4927 -20.4304 -20.4304 -20.2589 -20.2589 -19.8947 -19.8947 -19.7933 -19.7933 -19.7530 -19.7530 -19.6448 -19.6448 -19.6097 -19.6097 -19.5074 -19.5074 -2.2984 -2.2984 6.5812 6.5812 8.2778 8.2778 8.2868 8.2868 8.7299 8.7299 10.9810 10.9810 11.1923 11.1923 11.1932 11.1932 12.2916 12.2916 12.2963 12.2963 13.7019 13.7019 14.2156 14.2156 14.2298 14.2298 14.8354 14.8354 k = 0.2090 0.2090 0.2090 ( 5677 PWs) bands (ev): -43.6691 -43.6691 -43.5850 -43.5850 -43.5850 -43.5850 -20.4941 -20.4941 -20.4275 -20.4275 -20.2645 -20.2645 -19.8915 -19.8915 -19.7953 -19.7953 -19.7502 -19.7502 -19.6426 -19.6426 -19.6143 -19.6143 -19.5080 -19.5080 -2.2580 -2.2580 6.6261 6.6261 8.2109 8.2109 8.2194 8.2194 8.6811 8.6811 10.9350 10.9350 11.1874 11.1874 11.1884 11.1884 12.3391 12.3391 12.3439 12.3439 13.7076 13.7076 14.2046 14.2046 14.2179 14.2179 14.8377 14.8377 k = 0.2164 0.2164 0.2164 ( 5665 PWs) bands (ev): -43.6670 -43.6670 -43.5860 -43.5860 -43.5860 -43.5860 -20.4959 -20.4959 -20.4247 -20.4247 -20.2704 -20.2704 -19.8883 -19.8883 -19.7975 -19.7975 -19.7471 -19.7471 -19.6402 -19.6402 -19.6185 -19.6185 -19.5085 -19.5085 -2.2168 -2.2168 6.6706 6.6706 8.1442 8.1442 8.1523 8.1523 8.6321 8.6321 10.8907 10.8907 11.1832 11.1832 11.1844 11.1844 12.3872 12.3872 12.3920 12.3920 13.7139 13.7139 14.1916 14.1916 14.2039 14.2039 14.8422 14.8422 k = 0.2239 0.2239 0.2239 ( 5659 PWs) bands (ev): -43.6649 -43.6649 -43.5870 -43.5870 -43.5870 -43.5870 -20.4978 -20.4978 -20.4221 -20.4221 -20.2764 -20.2764 -19.8850 -19.8850 -19.7999 -19.7999 -19.7439 -19.7439 -19.6380 -19.6380 -19.6220 -19.6220 -19.5090 -19.5090 -2.1751 -2.1751 6.7143 6.7143 8.0779 8.0779 8.0856 8.0856 8.5831 8.5831 10.8483 10.8483 11.1798 11.1798 11.1813 11.1813 12.4357 12.4357 12.4407 12.4407 13.7202 13.7202 14.1763 14.1763 14.1876 14.1876 14.8490 14.8490 k = 0.2313 0.2313 0.2313 ( 5659 PWs) bands (ev): -43.6629 -43.6629 -43.5880 -43.5880 -43.5880 -43.5880 -20.5001 -20.5001 -20.4195 -20.4195 -20.2826 -20.2826 -19.8818 -19.8818 -19.8026 -19.8026 -19.7406 -19.7406 -19.6363 -19.6363 -19.6242 -19.6242 -19.5094 -19.5094 -2.1327 -2.1327 6.7569 6.7569 8.0121 8.0121 8.0193 8.0193 8.5343 8.5343 10.8085 10.8085 11.1775 11.1775 11.1791 11.1791 12.4846 12.4846 12.4897 12.4897 13.7263 13.7263 14.1587 14.1587 14.1690 14.1690 14.8581 14.8582 k = 0.2388 0.2388 0.2388 ( 5668 PWs) bands (ev): -43.6607 -43.6607 -43.5890 -43.5890 -43.5890 -43.5890 -20.5026 -20.5026 -20.4172 -20.4172 -20.2888 -20.2888 -19.8785 -19.8785 -19.8055 -19.8055 -19.7371 -19.7371 -19.6361 -19.6361 -19.6244 -19.6244 -19.5097 -19.5097 -2.0899 -2.0899 6.7980 6.7980 7.9469 7.9469 7.9537 7.9537 8.4858 8.4858 10.7715 10.7715 11.1761 11.1761 11.1780 11.1780 12.5338 12.5338 12.5389 12.5389 13.7317 13.7317 14.1387 14.1387 14.1479 14.1479 14.8695 14.8696 k = 0.2463 0.2463 0.2463 ( 5674 PWs) bands (ev): -43.6586 -43.6586 -43.5900 -43.5900 -43.5900 -43.5900 -20.5055 -20.5055 -20.4150 -20.4150 -20.2952 -20.2952 -19.8752 -19.8752 -19.8086 -19.8086 -19.7335 -19.7335 -19.6375 -19.6375 -19.6224 -19.6224 -19.5100 -19.5100 -2.0468 -2.0468 6.8373 6.8373 7.8824 7.8824 7.8887 7.8887 8.4380 8.4380 10.7379 10.7379 11.1757 11.1757 11.1780 11.1780 12.5830 12.5830 12.5882 12.5882 13.7362 13.7362 14.1165 14.1165 14.1246 14.1246 14.8829 14.8830 k = 0.2537 0.2537 0.2537 ( 5674 PWs) bands (ev): -43.6565 -43.6565 -43.5910 -43.5910 -43.5910 -43.5910 -20.5086 -20.5086 -20.4130 -20.4130 -20.3015 -20.3015 -19.8720 -19.8720 -19.8118 -19.8118 -19.7298 -19.7298 -19.6394 -19.6394 -19.6192 -19.6192 -19.5102 -19.5102 -2.0033 -2.0033 6.8744 6.8744 7.8187 7.8187 7.8246 7.8246 8.3911 8.3911 10.7079 10.7079 11.1765 11.1765 11.1791 11.1791 12.6321 12.6321 12.6375 12.6375 13.7395 13.7395 14.0921 14.0921 14.0992 14.0992 14.8336 14.8336 k = 0.2612 0.2612 0.2612 ( 5674 PWs) bands (ev): -43.6544 -43.6544 -43.5920 -43.5920 -43.5920 -43.5920 -20.5120 -20.5120 -20.4111 -20.4111 -20.3078 -20.3078 -19.8689 -19.8689 -19.8153 -19.8153 -19.7260 -19.7260 -19.6414 -19.6414 -19.6154 -19.6154 -19.5104 -19.5104 -1.9596 -1.9596 6.9089 6.9089 7.7559 7.7559 7.7614 7.7614 8.3454 8.3454 10.6820 10.6820 11.1785 11.1785 11.1814 11.1814 12.6811 12.6811 12.6866 12.6866 13.7413 13.7413 14.0658 14.0658 14.0719 14.0719 14.7697 14.7697 k = 0.2687 0.2687 0.2687 ( 5674 PWs) bands (ev): -43.6523 -43.6523 -43.5931 -43.5931 -43.5931 -43.5931 -20.5158 -20.5158 -20.4094 -20.4094 -20.3140 -20.3140 -19.8658 -19.8658 -19.8188 -19.8188 -19.7221 -19.7221 -19.6431 -19.6431 -19.6112 -19.6112 -19.5104 -19.5104 -1.9158 -1.9158 6.9403 6.9403 7.6941 7.6941 7.6991 7.6991 8.3011 8.3011 10.6603 10.6603 11.1817 11.1817 11.1849 11.1849 12.7298 12.7298 12.7354 12.7354 13.7415 13.7415 14.0377 14.0377 14.0428 14.0428 14.7066 14.7066 k = 0.2761 0.2761 0.2761 ( 5677 PWs) bands (ev): -43.6502 -43.6502 -43.5941 -43.5941 -43.5941 -43.5941 -20.5198 -20.5198 -20.4079 -20.4079 -20.3202 -20.3202 -19.8629 -19.8629 -19.8225 -19.8225 -19.7180 -19.7180 -19.6447 -19.6447 -19.6068 -19.6068 -19.5104 -19.5104 -1.8720 -1.8720 6.9682 6.9682 7.6334 7.6334 7.6380 7.6380 8.2587 8.2587 10.6432 10.6432 11.1862 11.1862 11.1897 11.1897 12.7779 12.7779 12.7836 12.7836 13.7398 13.7398 14.0081 14.0081 14.0122 14.0122 14.6446 14.6446 k = 0.2836 0.2836 0.2836 ( 5683 PWs) bands (ev): -43.6481 -43.6481 -43.5951 -43.5951 -43.5951 -43.5951 -20.5242 -20.5242 -20.4066 -20.4066 -20.3262 -20.3262 -19.8601 -19.8601 -19.8262 -19.8262 -19.7140 -19.7140 -19.6459 -19.6459 -19.6020 -19.6020 -19.5103 -19.5103 -1.8282 -1.8282 6.9922 6.9922 7.5739 7.5739 7.5781 7.5781 8.2184 8.2184 10.6309 10.6309 11.1919 11.1919 11.1958 11.1958 12.8253 12.8253 12.8312 12.8312 13.7362 13.7362 13.9771 13.9771 13.9804 13.9804 14.5839 14.5839 k = 0.2910 0.2910 0.2910 ( 5689 PWs) bands (ev): -43.6460 -43.6460 -43.5961 -43.5961 -43.5961 -43.5961 -20.5288 -20.5288 -20.4054 -20.4054 -20.3320 -20.3320 -19.8575 -19.8575 -19.8300 -19.8300 -19.7098 -19.7098 -19.6469 -19.6469 -19.5972 -19.5972 -19.5102 -19.5102 -1.7846 -1.7846 7.0119 7.0119 7.5156 7.5156 7.5194 7.5194 8.1806 8.1806 10.6236 10.6236 11.1989 11.1989 11.2032 11.2032 12.8718 12.8718 12.8779 12.8779 13.7306 13.7306 13.9451 13.9451 13.9475 13.9475 14.5245 14.5245 k = 0.2985 0.2985 0.2985 ( 5704 PWs) bands (ev): -43.6440 -43.6440 -43.5970 -43.5970 -43.5970 -43.5970 -20.5338 -20.5338 -20.4044 -20.4044 -20.3377 -20.3377 -19.8552 -19.8552 -19.8335 -19.8335 -19.7057 -19.7057 -19.6477 -19.6477 -19.5921 -19.5921 -19.5099 -19.5099 -1.7412 -1.7412 7.0271 7.0271 7.4587 7.4587 7.4620 7.4620 8.1455 8.1455 10.6215 10.6215 11.2072 11.2072 11.2119 11.2119 12.9172 12.9172 12.9235 12.9235 13.7228 13.7228 13.9123 13.9123 13.9138 13.9138 14.4665 14.4665 k = 0.3060 0.3060 0.3060 ( 5686 PWs) bands (ev): -43.6420 -43.6420 -43.5980 -43.5980 -43.5980 -43.5980 -20.5390 -20.5390 -20.4035 -20.4035 -20.3431 -20.3431 -19.8534 -19.8534 -19.8367 -19.8367 -19.7015 -19.7015 -19.6482 -19.6482 -19.5869 -19.5869 -19.5096 -19.5096 -1.6982 -1.6982 7.0374 7.0374 7.4032 7.4032 7.4061 7.4061 8.1134 8.1134 10.6245 10.6245 11.2168 11.2168 11.2219 11.2219 12.9613 12.9613 12.9679 12.9679 13.7128 13.7128 13.8790 13.8790 13.8795 13.8795 14.4101 14.4101 k = 0.3134 0.3134 0.3134 ( 5686 PWs) bands (ev): -43.6400 -43.6400 -43.5989 -43.5989 -43.5989 -43.5989 -20.5444 -20.5444 -20.4028 -20.4028 -20.3484 -20.3484 -19.8526 -19.8526 -19.8391 -19.8391 -19.6973 -19.6973 -19.6484 -19.6484 -19.5816 -19.5816 -19.5092 -19.5092 -1.6556 -1.6556 7.0427 7.0427 7.3492 7.3492 7.3517 7.3517 8.0844 8.0844 10.6328 10.6328 11.2277 11.2277 11.2332 11.2332 13.0038 13.0038 13.0106 13.0106 13.7006 13.7006 13.8448 13.8448 13.8453 13.8453 14.3552 14.3552 k = 0.3209 0.3209 0.3209 ( 5692 PWs) bands (ev): -43.6381 -43.6381 -43.5999 -43.5999 -43.5999 -43.5999 -20.5501 -20.5501 -20.4022 -20.4022 -20.3534 -20.3534 -19.8533 -19.8533 -19.8400 -19.8400 -19.6931 -19.6931 -19.6485 -19.6485 -19.5763 -19.5763 -19.5087 -19.5087 -1.6136 -1.6136 7.0431 7.0431 7.2968 7.2968 7.2989 7.2989 8.0586 8.0586 10.6464 10.6464 11.2399 11.2399 11.2459 11.2459 13.0443 13.0443 13.0515 13.0515 13.6861 13.6861 13.8101 13.8101 13.8117 13.8117 14.3020 14.3020 k = 0.3284 0.3284 0.3284 ( 5692 PWs) bands (ev): -43.6362 -43.6362 -43.6008 -43.6008 -43.6008 -43.6008 -20.5559 -20.5559 -20.4018 -20.4018 -20.3581 -20.3581 -19.8555 -19.8555 -19.8395 -19.8395 -19.6890 -19.6890 -19.6484 -19.6484 -19.5709 -19.5709 -19.5081 -19.5081 -1.5722 -1.5722 7.0386 7.0386 7.2459 7.2459 7.2476 7.2476 8.0359 8.0359 10.6652 10.6652 11.2534 11.2534 11.2598 11.2598 13.0825 13.0825 13.0903 13.0903 13.6693 13.6693 13.7756 13.7756 13.7784 13.7784 14.2505 14.2505 k = 0.3358 0.3358 0.3358 ( 5710 PWs) bands (ev): -43.6343 -43.6343 -43.6017 -43.6017 -43.6017 -43.6017 -20.5618 -20.5618 -20.4015 -20.4015 -20.3626 -20.3626 -19.8586 -19.8586 -19.8382 -19.8382 -19.6850 -19.6850 -19.6482 -19.6482 -19.5655 -19.5655 -19.5075 -19.5075 -1.5316 -1.5316 7.0297 7.0297 7.1968 7.1968 7.1981 7.1981 8.0161 8.0161 10.6891 10.6891 11.2680 11.2680 11.2749 11.2749 13.1180 13.1180 13.1264 13.1264 13.6502 13.6502 13.7417 13.7417 13.7458 13.7458 14.2008 14.2008 k = 0.3433 0.3433 0.3433 ( 5710 PWs) bands (ev): -43.6325 -43.6325 -43.6025 -43.6025 -43.6025 -43.6025 -20.5679 -20.5679 -20.4013 -20.4013 -20.3668 -20.3668 -19.8620 -19.8620 -19.8367 -19.8367 -19.6810 -19.6810 -19.6478 -19.6478 -19.5601 -19.5601 -19.5068 -19.5068 -1.4918 -1.4918 7.0166 7.0166 7.1494 7.1494 7.1504 7.1504 7.9991 7.9991 10.7178 10.7178 11.2839 11.2839 11.2912 11.2912 13.1503 13.1503 13.1594 13.1594 13.6288 13.6288 13.7089 13.7089 13.7143 13.7143 14.1529 14.1529 k = 0.3507 0.3507 0.3507 ( 5707 PWs) bands (ev): -43.6308 -43.6308 -43.6034 -43.6034 -43.6034 -43.6034 -20.5740 -20.5740 -20.4013 -20.4013 -20.3708 -20.3708 -19.8656 -19.8656 -19.8350 -19.8350 -19.6771 -19.6771 -19.6473 -19.6473 -19.5547 -19.5547 -19.5060 -19.5060 -1.4530 -1.4530 7.0000 7.0000 7.1038 7.1038 7.1044 7.1044 7.9845 7.9845 10.7513 10.7513 11.3008 11.3008 11.3087 11.3087 13.1786 13.1786 13.1888 13.1888 13.6054 13.6054 13.6778 13.6778 13.6846 13.6846 14.1070 14.1070 k = 0.3582 0.3582 0.3582 ( 5704 PWs) bands (ev): -43.6291 -43.6291 -43.6042 -43.6042 -43.6042 -43.6042 -20.5802 -20.5802 -20.4013 -20.4013 -20.3745 -20.3745 -19.8691 -19.8691 -19.8333 -19.8333 -19.6733 -19.6733 -19.6467 -19.6467 -19.5494 -19.5494 -19.5051 -19.5051 -1.4152 -1.4152 6.9803 6.9803 7.0601 7.0601 7.0604 7.0604 7.9720 7.9720 10.7893 10.7893 11.3188 11.3188 11.3272 11.3272 13.2023 13.2023 13.2136 13.2136 13.5799 13.5799 13.6491 13.6491 13.6573 13.6573 14.0630 14.0630 k = 0.3657 0.3657 0.3657 ( 5704 PWs) bands (ev): -43.6275 -43.6275 -43.6049 -43.6049 -43.6049 -43.6049 -20.5863 -20.5863 -20.4014 -20.4014 -20.3780 -20.3780 -19.8726 -19.8726 -19.8317 -19.8317 -19.6697 -19.6697 -19.6461 -19.6461 -19.5442 -19.5442 -19.5043 -19.5043 -1.3786 -1.3786 6.9582 6.9582 7.0183 7.0183 7.0183 7.0183 7.9612 7.9612 10.8313 10.8313 11.3378 11.3378 11.3466 11.3466 13.2202 13.2202 13.2330 13.2330 13.5525 13.5525 13.6238 13.6238 13.6334 13.6334 14.0210 14.0210 k = 0.3731 0.3731 0.3731 ( 5704 PWs) bands (ev): -43.6259 -43.6259 -43.6057 -43.6057 -43.6057 -43.6057 -20.5924 -20.5924 -20.4016 -20.4016 -20.3812 -20.3812 -19.8760 -19.8760 -19.8301 -19.8301 -19.6662 -19.6662 -19.6454 -19.6454 -19.5391 -19.5391 -19.5033 -19.5033 -1.3433 -1.3433 6.9344 6.9344 6.9781 6.9781 6.9785 6.9785 7.9518 7.9518 10.8771 10.8771 11.3576 11.3576 11.3670 11.3670 13.2316 13.2316 13.2460 13.2460 13.5230 13.5230 13.6030 13.6030 13.6140 13.6140 13.9810 13.9810 k = 0.3806 0.3806 0.3806 ( 5698 PWs) bands (ev): -43.6244 -43.6244 -43.6064 -43.6064 -43.6064 -43.6064 -20.5983 -20.5983 -20.4018 -20.4018 -20.3842 -20.3842 -19.8793 -19.8793 -19.8286 -19.8286 -19.6628 -19.6628 -19.6446 -19.6446 -19.5342 -19.5342 -19.5023 -19.5023 -1.3093 -1.3093 6.9092 6.9092 6.9400 6.9400 6.9407 6.9407 7.9435 7.9435 10.9263 10.9263 11.3781 11.3781 11.3881 11.3881 13.2356 13.2356 13.2514 13.2514 13.4916 13.4916 13.5877 13.5877 13.5999 13.5999 13.9431 13.9431 k = 0.3881 0.3881 0.3881 ( 5697 PWs) bands (ev): -43.6230 -43.6230 -43.6071 -43.6071 -43.6071 -43.6071 -20.6041 -20.6041 -20.4021 -20.4021 -20.3870 -20.3870 -19.8825 -19.8825 -19.8273 -19.8273 -19.6597 -19.6597 -19.6438 -19.6438 -19.5294 -19.5294 -19.5013 -19.5013 -1.2768 -1.2768 6.8834 6.8834 6.9040 6.9040 6.9050 6.9050 7.9361 7.9361 10.9784 10.9784 11.3993 11.3993 11.4099 11.4099 13.2321 13.2321 13.2491 13.2491 13.4581 13.4581 13.5784 13.5784 13.5915 13.5915 13.9073 13.9073 k = 0.3955 0.3955 0.3955 ( 5694 PWs) bands (ev): -43.6217 -43.6217 -43.6077 -43.6077 -43.6077 -43.6077 -20.6097 -20.6097 -20.4024 -20.4024 -20.3896 -20.3896 -19.8855 -19.8855 -19.8260 -19.8260 -19.6567 -19.6567 -19.6430 -19.6430 -19.5248 -19.5248 -19.5003 -19.5003 -1.2459 -1.2459 6.8573 6.8573 6.8701 6.8701 6.8714 6.8714 7.9295 7.9295 11.0329 11.0329 11.4210 11.4210 11.4321 11.4321 13.2216 13.2216 13.2394 13.2394 13.4227 13.4227 13.5747 13.5747 13.5885 13.5885 13.8737 13.8737 k = 0.4030 0.4030 0.4030 ( 5697 PWs) bands (ev): -43.6204 -43.6204 -43.6083 -43.6083 -43.6083 -43.6083 -20.6151 -20.6151 -20.4028 -20.4028 -20.3919 -20.3919 -19.8883 -19.8883 -19.8248 -19.8248 -19.6539 -19.6539 -19.6422 -19.6422 -19.5204 -19.5204 -19.4993 -19.4993 -1.2166 -1.2166 6.8313 6.8313 6.8385 6.8385 6.8399 6.8399 7.9234 7.9234 11.0893 11.0893 11.4429 11.4429 11.4546 11.4546 13.2054 13.2054 13.2235 13.2235 13.3856 13.3856 13.5756 13.5756 13.5897 13.5897 13.8423 13.8423 k = 0.4104 0.4104 0.4104 ( 5697 PWs) bands (ev): -43.6192 -43.6192 -43.6089 -43.6089 -43.6089 -43.6089 -20.6202 -20.6202 -20.4031 -20.4031 -20.3941 -20.3941 -19.8909 -19.8909 -19.8237 -19.8237 -19.6512 -19.6512 -19.6415 -19.6415 -19.5163 -19.5163 -19.4982 -19.4982 -1.1891 -1.1891 6.8058 6.8058 6.8092 6.8092 6.8106 6.8106 7.9179 7.9179 11.1470 11.1470 11.4649 11.4649 11.4772 11.4772 13.1850 13.1850 13.2032 13.2032 13.3471 13.3471 13.5798 13.5798 13.5940 13.5940 13.8131 13.8131 k = 0.4179 0.4179 0.4179 ( 5691 PWs) bands (ev): -43.6181 -43.6181 -43.6094 -43.6094 -43.6094 -43.6094 -20.6250 -20.6250 -20.4035 -20.4035 -20.3961 -20.3961 -19.8934 -19.8934 -19.8227 -19.8227 -19.6488 -19.6488 -19.6407 -19.6407 -19.5124 -19.5124 -19.4972 -19.4972 -1.1634 -1.1634 6.7804 6.7804 6.7829 6.7829 6.7835 6.7835 7.9127 7.9127 11.2055 11.2055 11.4868 11.4868 11.4997 11.4997 13.1618 13.1618 13.1800 13.1800 13.3075 13.3075 13.5858 13.5858 13.6000 13.6000 13.7861 13.7861 k = 0.4254 0.4254 0.4254 ( 5685 PWs) bands (ev): -43.6171 -43.6171 -43.6099 -43.6099 -43.6099 -43.6099 -20.6296 -20.6296 -20.4039 -20.4039 -20.3978 -20.3978 -19.8956 -19.8956 -19.8218 -19.8218 -19.6466 -19.6466 -19.6400 -19.6400 -19.5088 -19.5088 -19.4963 -19.4963 -1.1396 -1.1396 6.7558 6.7558 6.7587 6.7587 6.7593 6.7593 7.9080 7.9080 11.2640 11.2640 11.5083 11.5083 11.5219 11.5219 13.1370 13.1370 13.1551 13.1551 13.2672 13.2672 13.5928 13.5928 13.6069 13.6069 13.7615 13.7615 k = 0.4328 0.4328 0.4328 ( 5685 PWs) bands (ev): -43.6162 -43.6162 -43.6103 -43.6103 -43.6103 -43.6103 -20.6337 -20.6337 -20.4043 -20.4043 -20.3994 -20.3994 -19.8977 -19.8977 -19.8209 -19.8209 -19.6446 -19.6446 -19.6393 -19.6393 -19.5055 -19.5055 -19.4953 -19.4953 -1.1178 -1.1178 6.7331 6.7331 6.7361 6.7361 6.7376 6.7376 7.9036 7.9036 11.3218 11.3218 11.5292 11.5292 11.5434 11.5434 13.1117 13.1117 13.1299 13.1299 13.2267 13.2267 13.6000 13.6000 13.6139 13.6139 13.7392 13.7392 k = 0.4403 0.4403 0.4403 ( 5688 PWs) bands (ev): -43.6154 -43.6154 -43.6107 -43.6107 -43.6107 -43.6107 -20.6375 -20.6375 -20.4046 -20.4046 -20.4009 -20.4009 -19.8996 -19.8996 -19.8202 -19.8202 -19.6428 -19.6428 -19.6387 -19.6387 -19.5025 -19.5025 -19.4945 -19.4945 -1.0982 -1.0982 6.7127 6.7127 6.7159 6.7159 6.7177 6.7177 7.8996 7.8996 11.3780 11.3780 11.5491 11.5491 11.5640 11.5640 13.0868 13.0868 13.1050 13.1050 13.1866 13.1866 13.6068 13.6068 13.6206 13.6206 13.7193 13.7193 k = 0.4478 0.4478 0.4478 ( 5694 PWs) bands (ev): -43.6146 -43.6146 -43.6110 -43.6110 -43.6110 -43.6110 -20.6409 -20.6409 -20.4049 -20.4049 -20.4021 -20.4021 -19.9012 -19.9012 -19.8196 -19.8196 -19.6413 -19.6413 -19.6381 -19.6381 -19.4998 -19.4998 -19.4936 -19.4936 -1.0806 -1.0806 6.6946 6.6946 6.6980 6.6980 6.6998 6.6998 7.8960 7.8960 11.4317 11.4317 11.5678 11.5678 11.5834 11.5834 13.0629 13.0629 13.0813 13.0813 13.1476 13.1476 13.6131 13.6131 13.6265 13.6265 13.7019 13.7019 k = 0.4552 0.4552 0.4552 ( 5706 PWs) bands (ev): -43.6140 -43.6140 -43.6113 -43.6113 -43.6113 -43.6113 -20.6439 -20.6439 -20.4052 -20.4052 -20.4032 -20.4032 -19.9027 -19.9027 -19.8190 -19.8190 -19.6399 -19.6399 -19.6376 -19.6376 -19.4975 -19.4975 -19.4929 -19.4929 -1.0653 -1.0653 6.6787 6.6787 6.6824 6.6824 6.6840 6.6840 7.8929 7.8929 11.4818 11.4818 11.5849 11.5849 11.6013 11.6013 13.0406 13.0406 13.0594 13.0594 13.1107 13.1107 13.6186 13.6186 13.6315 13.6315 13.6870 13.6870 k = 0.4627 0.4627 0.4627 ( 5706 PWs) bands (ev): -43.6134 -43.6134 -43.6116 -43.6116 -43.6116 -43.6116 -20.6464 -20.6464 -20.4055 -20.4055 -20.4041 -20.4041 -19.9039 -19.9039 -19.8186 -19.8186 -19.6388 -19.6388 -19.6372 -19.6372 -19.4954 -19.4954 -19.4923 -19.4923 -1.0522 -1.0522 6.6653 6.6653 6.6692 6.6692 6.6704 6.6704 7.8901 7.8901 11.5272 11.5272 11.6001 11.6001 11.6174 11.6174 13.0205 13.0205 13.0398 13.0398 13.0769 13.0769 13.6233 13.6233 13.6352 13.6352 13.6749 13.6749 k = 0.4701 0.4701 0.4701 ( 5691 PWs) bands (ev): -43.6130 -43.6130 -43.6118 -43.6118 -43.6118 -43.6118 -20.6485 -20.6485 -20.4057 -20.4057 -20.4048 -20.4048 -19.9049 -19.9049 -19.8182 -19.8182 -19.6378 -19.6378 -19.6368 -19.6368 -19.4938 -19.4938 -19.4918 -19.4918 -1.0414 -1.0414 6.6542 6.6542 6.6584 6.6584 6.6592 6.6592 7.8879 7.8879 11.5664 11.5664 11.6131 11.6131 11.6315 11.6315 13.0030 13.0030 13.0231 13.0231 13.0473 13.0473 13.6272 13.6272 13.6373 13.6373 13.6660 13.6660 k = 0.4776 0.4776 0.4776 ( 5673 PWs) bands (ev): -43.6126 -43.6126 -43.6120 -43.6120 -43.6120 -43.6120 -20.6502 -20.6502 -20.4059 -20.4059 -20.4054 -20.4054 -19.9057 -19.9057 -19.8179 -19.8179 -19.6371 -19.6371 -19.6365 -19.6365 -19.4925 -19.4925 -19.4913 -19.4913 -1.0330 -1.0330 6.6455 6.6455 6.6499 6.6499 6.6504 6.6504 7.8861 7.8861 11.5980 11.5980 11.6236 11.6236 11.6435 11.6435 12.9883 12.9883 13.0096 13.0096 13.0231 13.0231 13.6301 13.6301 13.6374 13.6374 13.6605 13.6605 k = 0.4851 0.4851 0.4851 ( 5655 PWs) bands (ev): -43.6124 -43.6124 -43.6121 -43.6121 -43.6121 -43.6121 -20.6514 -20.6514 -20.4060 -20.4060 -20.4058 -20.4058 -19.9062 -19.9062 -19.8177 -19.8177 -19.6366 -19.6366 -19.6363 -19.6363 -19.4915 -19.4915 -19.4910 -19.4910 -1.0270 -1.0270 6.6393 6.6393 6.6439 6.6439 6.6441 6.6441 7.8848 7.8848 11.6206 11.6206 11.6313 11.6313 11.6533 11.6533 12.9768 12.9768 12.9998 12.9998 13.0056 13.0056 13.6322 13.6322 13.6361 13.6361 13.6581 13.6581 k = 0.4925 0.4925 0.4925 ( 5616 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6521 -20.6521 -20.4061 -20.4061 -20.4061 -20.4061 -19.9066 -19.9066 -19.8175 -19.8175 -19.6362 -19.6362 -19.6362 -19.6362 -19.4910 -19.4910 -19.4909 -19.4909 -1.0234 -1.0234 6.6356 6.6356 6.6403 6.6403 6.6403 6.6403 7.8840 7.8840 11.6335 11.6335 11.6360 11.6360 11.6604 11.6604 12.9693 12.9693 12.9937 12.9937 12.9951 12.9951 13.6335 13.6335 13.6345 13.6345 13.6573 13.6573 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6523 -20.6523 -20.4061 -20.4061 -20.4061 -20.4061 -19.9067 -19.9067 -19.8175 -19.8175 -19.6361 -19.6361 -19.6361 -19.6361 -19.4908 -19.4908 -19.4908 -19.4908 -1.0221 -1.0221 6.6343 6.6343 6.6391 6.6391 6.6391 6.6391 7.8838 7.8838 11.6376 11.6376 11.6376 11.6376 11.6632 11.6632 12.9666 12.9666 12.9917 12.9917 12.9917 12.9917 13.6339 13.6339 13.6339 13.6339 13.6571 13.6571 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6523 -20.6523 -20.4061 -20.4061 -20.4061 -20.4061 -19.9067 -19.9067 -19.8175 -19.8175 -19.6361 -19.6361 -19.6361 -19.6361 -19.4908 -19.4908 -19.4908 -19.4908 -1.0221 -1.0221 6.6343 6.6343 6.6391 6.6391 6.6391 6.6391 7.8838 7.8838 11.6376 11.6376 11.6376 11.6376 11.6632 11.6632 12.9666 12.9666 12.9917 12.9917 12.9917 12.9917 13.6339 13.6339 13.6339 13.6339 13.6571 13.6571 k = 0.4909 0.5000 0.4909 ( 5616 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6121 -43.6121 -20.6521 -20.6521 -20.4061 -20.4061 -20.4061 -20.4061 -19.9066 -19.9066 -19.8175 -19.8175 -19.6362 -19.6362 -19.6362 -19.6362 -19.4910 -19.4910 -19.4909 -19.4909 -1.0233 -1.0233 6.6355 6.6355 6.6400 6.6400 6.6407 6.6407 7.8840 7.8840 11.6336 11.6336 11.6359 11.6359 11.6605 11.6605 12.9693 12.9693 12.9937 12.9937 12.9951 12.9951 13.6335 13.6335 13.6345 13.6345 13.6573 13.6573 k = 0.4818 0.5000 0.4818 ( 5652 PWs) bands (ev): -43.6123 -43.6123 -43.6122 -43.6122 -43.6120 -43.6120 -20.6514 -20.6514 -20.4060 -20.4060 -20.4058 -20.4058 -19.9062 -19.9062 -19.8177 -19.8177 -19.6365 -19.6365 -19.6363 -19.6363 -19.4915 -19.4915 -19.4911 -19.4911 -1.0269 -1.0269 6.6379 6.6379 6.6436 6.6436 6.6457 6.6457 7.8848 7.8848 11.6221 11.6221 11.6295 11.6295 11.6540 11.6540 12.9766 12.9766 13.0002 13.0002 13.0050 13.0050 13.6324 13.6324 13.6360 13.6360 13.6580 13.6580 k = 0.4727 0.5000 0.4727 ( 5672 PWs) bands (ev): -43.6125 -43.6125 -43.6122 -43.6122 -43.6119 -43.6119 -20.6502 -20.6502 -20.4059 -20.4059 -20.4054 -20.4054 -19.9057 -19.9057 -19.8179 -19.8179 -19.6371 -19.6371 -19.6365 -19.6365 -19.4924 -19.4924 -19.4914 -19.4914 -1.0329 -1.0329 6.6403 6.6403 6.6513 6.6513 6.6539 6.6539 7.8861 7.8861 11.6033 11.6033 11.6150 11.6150 11.6476 11.6476 12.9870 12.9870 13.0122 13.0122 13.0211 13.0211 13.6304 13.6304 13.6375 13.6375 13.6602 13.6602 k = 0.4636 0.5000 0.4636 ( 5684 PWs) bands (ev): -43.6128 -43.6128 -43.6122 -43.6122 -43.6116 -43.6116 -20.6486 -20.6486 -20.4057 -20.4057 -20.4049 -20.4049 -19.9049 -19.9049 -19.8182 -19.8182 -19.6378 -19.6378 -19.6368 -19.6368 -19.4936 -19.4936 -19.4919 -19.4919 -1.0412 -1.0412 6.6430 6.6430 6.6626 6.6626 6.6655 6.6655 7.8878 7.8878 11.5780 11.5780 11.5917 11.5917 11.6427 11.6427 12.9991 12.9991 13.0305 13.0305 13.0424 13.0424 13.6276 13.6276 13.6378 13.6378 13.6651 13.6651 k = 0.4545 0.5000 0.4545 ( 5690 PWs) bands (ev): -43.6131 -43.6131 -43.6122 -43.6122 -43.6113 -43.6113 -20.6465 -20.6465 -20.4055 -20.4055 -20.4042 -20.4042 -19.9039 -19.9039 -19.8185 -19.8185 -19.6387 -19.6387 -19.6372 -19.6372 -19.4952 -19.4952 -19.4925 -19.4925 -1.0518 -1.0518 6.6463 6.6463 6.6772 6.6772 6.6803 6.6803 7.8901 7.8901 11.5468 11.5468 11.5617 11.5617 11.6383 11.6383 13.0125 13.0125 13.0543 13.0543 13.0683 13.0683 13.6239 13.6239 13.6363 13.6363 13.6733 13.6733 k = 0.4455 0.5000 0.4455 ( 5698 PWs) bands (ev): -43.6135 -43.6135 -43.6122 -43.6122 -43.6109 -43.6109 -20.6440 -20.6440 -20.4052 -20.4052 -20.4033 -20.4033 -19.9027 -19.9027 -19.8190 -19.8190 -19.6398 -19.6398 -19.6376 -19.6376 -19.4971 -19.4971 -19.4932 -19.4932 -1.0646 -1.0646 6.6501 6.6501 6.6949 6.6949 6.6984 6.6984 7.8928 7.8928 11.5105 11.5105 11.5268 11.5268 11.6337 11.6337 13.0278 13.0278 13.0824 13.0824 13.0976 13.0976 13.6192 13.6192 13.6332 13.6332 13.6846 13.6846 k = 0.4364 0.5000 0.4364 ( 5698 PWs) bands (ev): -43.6140 -43.6140 -43.6122 -43.6122 -43.6105 -43.6105 -20.6410 -20.6410 -20.4049 -20.4049 -20.4023 -20.4023 -19.9013 -19.9013 -19.8195 -19.8195 -19.6412 -19.6412 -19.6381 -19.6381 -19.4992 -19.4992 -19.4941 -19.4941 -1.0796 -1.0796 6.6545 6.6545 6.7157 6.7157 6.7198 6.7198 7.8959 7.8959 11.4697 11.4697 11.4883 11.4883 11.6288 11.6288 13.0451 13.0451 13.1133 13.1133 13.1294 13.1294 13.6137 13.6137 13.6289 13.6289 13.6986 13.6986 k = 0.4273 0.5000 0.4273 ( 5702 PWs) bands (ev): -43.6145 -43.6145 -43.6122 -43.6122 -43.6099 -43.6099 -20.6376 -20.6376 -20.4045 -20.4045 -20.4011 -20.4011 -19.8996 -19.8996 -19.8202 -19.8202 -19.6427 -19.6427 -19.6388 -19.6388 -19.5017 -19.5017 -19.4951 -19.4951 -1.0968 -1.0968 6.6593 6.6593 6.7396 6.7396 6.7442 6.7442 7.8995 7.8995 11.4248 11.4248 11.4477 11.4477 11.6234 11.6234 13.0647 13.0647 13.1461 13.1461 13.1628 13.1628 13.6073 13.6073 13.6233 13.6233 13.7153 13.7153 k = 0.4182 0.5000 0.4182 ( 5700 PWs) bands (ev): -43.6152 -43.6152 -43.6122 -43.6122 -43.6094 -43.6094 -20.6339 -20.6339 -20.4041 -20.4041 -20.3998 -20.3998 -19.8978 -19.8978 -19.8209 -19.8209 -19.6444 -19.6444 -19.6395 -19.6395 -19.5044 -19.5044 -19.4962 -19.4962 -1.1159 -1.1159 6.6645 6.6645 6.7665 6.7665 6.7717 6.7717 7.9035 7.9035 11.3765 11.3765 11.4058 11.4058 11.6177 11.6177 13.0864 13.0864 13.1798 13.1798 13.1969 13.1969 13.6002 13.6002 13.6167 13.6167 13.7344 13.7344 k = 0.4091 0.5000 0.4091 ( 5696 PWs) bands (ev): -43.6158 -43.6158 -43.6123 -43.6123 -43.6087 -43.6087 -20.6297 -20.6297 -20.4037 -20.4037 -20.3983 -20.3983 -19.8957 -19.8957 -19.8217 -19.8217 -19.6463 -19.6463 -19.6402 -19.6402 -19.5074 -19.5074 -19.4974 -19.4974 -1.1370 -1.1370 6.6701 6.6701 6.7964 6.7964 6.8020 6.8020 7.9078 7.9078 11.3252 11.3252 11.3636 11.3636 11.6116 11.6116 13.1104 13.1104 13.2135 13.2135 13.2309 13.2309 13.5925 13.5925 13.6089 13.6089 13.7561 13.7561 k = 0.4000 0.5000 0.4000 ( 5696 PWs) bands (ev): -43.6166 -43.6166 -43.6123 -43.6123 -43.6080 -43.6080 -20.6252 -20.6252 -20.4032 -20.4032 -20.3967 -20.3967 -19.8935 -19.8935 -19.8226 -19.8226 -19.6484 -19.6484 -19.6411 -19.6411 -19.5106 -19.5106 -19.4988 -19.4988 -1.1599 -1.1599 6.6759 6.6759 6.8291 6.8291 6.8352 6.8352 7.9125 7.9125 11.2717 11.2717 11.3218 11.3218 11.6052 11.6052 13.1364 13.1364 13.2462 13.2462 13.2639 13.2639 13.5844 13.5844 13.6001 13.6001 13.7803 13.7803 k = 0.3909 0.5000 0.3909 ( 5700 PWs) bands (ev): -43.6174 -43.6174 -43.6123 -43.6123 -43.6073 -43.6073 -20.6203 -20.6203 -20.4027 -20.4027 -20.3949 -20.3949 -19.8910 -19.8910 -19.8236 -19.8236 -19.6507 -19.6507 -19.6420 -19.6420 -19.5140 -19.5140 -19.5002 -19.5002 -1.1845 -1.1845 6.6818 6.6818 6.8647 6.8647 6.8710 6.8710 7.9175 7.9175 11.2162 11.2162 11.2808 11.2808 11.5985 11.5985 13.1644 13.1644 13.2771 13.2771 13.2954 13.2954 13.5759 13.5759 13.5907 13.5907 13.8070 13.8070 k = 0.3818 0.5000 0.3818 ( 5704 PWs) bands (ev): -43.6182 -43.6182 -43.6123 -43.6123 -43.6064 -43.6064 -20.6152 -20.6152 -20.4022 -20.4022 -20.3930 -20.3930 -19.8884 -19.8884 -19.8246 -19.8246 -19.6532 -19.6532 -19.6430 -19.6430 -19.5176 -19.5176 -19.5018 -19.5018 -1.2107 -1.2107 6.6877 6.6877 6.9031 6.9031 6.9094 6.9094 7.9228 7.9228 11.1593 11.1593 11.2413 11.2413 11.5917 11.5917 13.1943 13.1943 13.3045 13.3045 13.3252 13.3252 13.5664 13.5664 13.5820 13.5820 13.8363 13.8363 k = 0.3727 0.5000 0.3727 ( 5702 PWs) bands (ev): -43.6191 -43.6191 -43.6123 -43.6123 -43.6056 -43.6056 -20.6097 -20.6097 -20.4016 -20.4016 -20.3910 -20.3910 -19.8856 -19.8856 -19.8258 -19.8258 -19.6558 -19.6558 -19.6441 -19.6441 -19.5213 -19.5213 -19.5034 -19.5034 -1.2384 -1.2384 6.6936 6.6936 6.9441 6.9441 6.9502 6.9502 7.9284 7.9284 11.1012 11.1012 11.2037 11.2037 11.5847 11.5847 13.2259 13.2259 13.3266 13.3266 13.3535 13.3535 13.5547 13.5547 13.5763 13.5763 13.8681 13.8681 k = 0.3636 0.5000 0.3636 ( 5694 PWs) bands (ev): -43.6201 -43.6201 -43.6123 -43.6123 -43.6047 -43.6047 -20.6040 -20.6040 -20.4011 -20.4011 -20.3888 -20.3888 -19.8826 -19.8826 -19.8270 -19.8270 -19.6585 -19.6585 -19.6452 -19.6452 -19.5251 -19.5251 -19.5052 -19.5052 -1.2675 -1.2675 6.6992 6.6992 6.9877 6.9877 6.9933 6.9933 7.9343 7.9343 11.0423 11.0423 11.1684 11.1684 11.5778 11.5778 13.2592 13.2592 13.3414 13.3414 13.3804 13.3804 13.5402 13.5402 13.5751 13.5751 13.9026 13.9026 k = 0.3545 0.5000 0.3545 ( 5690 PWs) bands (ev): -43.6211 -43.6211 -43.6124 -43.6124 -43.6037 -43.6037 -20.5981 -20.5981 -20.4005 -20.4005 -20.3865 -20.3865 -19.8795 -19.8795 -19.8283 -19.8283 -19.6614 -19.6614 -19.6464 -19.6464 -19.5290 -19.5290 -19.5070 -19.5070 -1.2979 -1.2979 6.7044 6.7044 7.0338 7.0338 7.0385 7.0385 7.9406 7.9406 10.9827 10.9827 11.1358 11.1358 11.5708 11.5708 13.2935 13.2935 13.3481 13.3481 13.4059 13.4059 13.5234 13.5234 13.5789 13.5789 13.9398 13.9398 k = 0.3455 0.5000 0.3455 ( 5690 PWs) bands (ev): -43.6222 -43.6222 -43.6124 -43.6124 -43.6027 -43.6027 -20.5920 -20.5920 -20.4000 -20.4000 -20.3841 -20.3841 -19.8762 -19.8762 -19.8297 -19.8297 -19.6644 -19.6644 -19.6477 -19.6477 -19.5330 -19.5330 -19.5089 -19.5089 -1.3293 -1.3293 6.7091 6.7091 7.0822 7.0822 7.0859 7.0859 7.9472 7.9472 10.9227 10.9227 11.1062 11.1062 11.5640 11.5640 13.3263 13.3263 13.3493 13.3493 13.4297 13.4297 13.5047 13.5047 13.5872 13.5872 13.9796 13.9796 k = 0.3364 0.5000 0.3364 ( 5682 PWs) bands (ev): -43.6233 -43.6233 -43.6124 -43.6124 -43.6016 -43.6016 -20.5857 -20.5857 -20.3994 -20.3994 -20.3815 -20.3815 -19.8728 -19.8728 -19.8312 -19.8312 -19.6675 -19.6675 -19.6490 -19.6490 -19.5371 -19.5371 -19.5108 -19.5108 -1.3618 -1.3618 6.7132 6.7132 7.1326 7.1326 7.1355 7.1355 7.9542 7.9542 10.8624 10.8624 11.0798 11.0798 11.5574 11.5574 13.3313 13.3313 13.3718 13.3718 13.4517 13.4517 13.4843 13.4843 13.5988 13.5988 14.0221 14.0221 k = 0.3273 0.5000 0.3273 ( 5684 PWs) bands (ev): -43.6244 -43.6244 -43.6124 -43.6124 -43.6005 -43.6005 -20.5793 -20.5793 -20.3988 -20.3988 -20.3789 -20.3789 -19.8693 -19.8693 -19.8327 -19.8327 -19.6707 -19.6707 -19.6504 -19.6504 -19.5412 -19.5412 -19.5128 -19.5128 -1.3951 -1.3951 6.7166 6.7166 7.1841 7.1841 7.1878 7.1878 7.9616 7.9616 10.8021 10.8021 11.0568 11.0568 11.5510 11.5510 13.3163 13.3163 13.4087 13.4087 13.4623 13.4623 13.4722 13.4722 13.6124 13.6124 14.0673 14.0673 k = 0.3182 0.5000 0.3182 ( 5684 PWs) bands (ev): -43.6256 -43.6256 -43.6124 -43.6124 -43.5994 -43.5994 -20.5728 -20.5728 -20.3983 -20.3983 -20.3761 -20.3761 -19.8658 -19.8658 -19.8341 -19.8341 -19.6739 -19.6739 -19.6519 -19.6519 -19.5453 -19.5453 -19.5149 -19.5149 -1.4292 -1.4292 6.7190 6.7190 7.2367 7.2367 7.2426 7.2426 7.9695 7.9695 10.7417 10.7417 11.0375 11.0375 11.5449 11.5449 13.2951 13.2951 13.4339 13.4339 13.4523 13.4523 13.4910 13.4910 13.6269 13.6269 14.1152 14.1152 k = 0.3091 0.5000 0.3091 ( 5688 PWs) bands (ev): -43.6268 -43.6268 -43.6125 -43.6125 -43.5983 -43.5983 -20.5662 -20.5662 -20.3978 -20.3978 -20.3732 -20.3732 -19.8624 -19.8624 -19.8356 -19.8356 -19.6771 -19.6771 -19.6534 -19.6534 -19.5494 -19.5494 -19.5170 -19.5170 -1.4639 -1.4639 6.7204 6.7204 7.2905 7.2905 7.2997 7.2997 7.9778 7.9778 10.6815 10.6815 11.0219 11.0219 11.5391 11.5391 13.2695 13.2695 13.4115 13.4115 13.4873 13.4873 13.5104 13.5104 13.6413 13.6413 14.1656 14.1656 k = 0.3000 0.5000 0.3000 ( 5672 PWs) bands (ev): -43.6280 -43.6280 -43.6125 -43.6125 -43.5971 -43.5971 -20.5596 -20.5596 -20.3972 -20.3972 -20.3702 -20.3702 -19.8591 -19.8591 -19.8368 -19.8368 -19.6804 -19.6804 -19.6550 -19.6550 -19.5536 -19.5536 -19.5191 -19.5191 -1.4991 -1.4991 6.7207 6.7207 7.3455 7.3455 7.3587 7.3587 7.9868 7.9868 10.6216 10.6216 11.0102 11.0102 11.5337 11.5337 13.2402 13.2402 13.3851 13.3851 13.5140 13.5140 13.5401 13.5401 13.6551 13.6551 14.2186 14.2186 k = 0.2909 0.5000 0.2909 ( 5676 PWs) bands (ev): -43.6293 -43.6293 -43.6125 -43.6125 -43.5959 -43.5959 -20.5531 -20.5531 -20.3967 -20.3967 -20.3671 -20.3671 -19.8562 -19.8562 -19.8375 -19.8375 -19.6836 -19.6836 -19.6566 -19.6566 -19.5577 -19.5577 -19.5212 -19.5212 -1.5347 -1.5347 6.7198 6.7198 7.4016 7.4016 7.4194 7.4194 7.9963 7.9963 10.5621 10.5621 11.0022 11.0022 11.5288 11.5288 13.2076 13.2076 13.3572 13.3572 13.5294 13.5294 13.5804 13.5804 13.6682 13.6682 14.2740 14.2740 k = 0.2818 0.5000 0.2818 ( 5668 PWs) bands (ev): -43.6306 -43.6306 -43.6125 -43.6125 -43.5947 -43.5947 -20.5466 -20.5466 -20.3962 -20.3962 -20.3639 -20.3639 -19.8543 -19.8543 -19.8374 -19.8374 -19.6868 -19.6868 -19.6582 -19.6582 -19.5618 -19.5618 -19.5233 -19.5233 -1.5705 -1.5705 6.7176 6.7176 7.4586 7.4586 7.4816 7.4816 8.0065 8.0065 10.5030 10.5030 10.9980 10.9980 11.5243 11.5243 13.1723 13.1723 13.3281 13.3281 13.5415 13.5415 13.6235 13.6235 13.6805 13.6805 14.3317 14.3317 k = 0.2727 0.5000 0.2727 ( 5668 PWs) bands (ev): -43.6318 -43.6318 -43.6126 -43.6126 -43.5934 -43.5934 -20.5401 -20.5401 -20.3958 -20.3958 -20.3607 -20.3607 -19.8536 -19.8536 -19.8360 -19.8360 -19.6899 -19.6899 -19.6599 -19.6599 -19.5658 -19.5658 -19.5253 -19.5253 -1.6065 -1.6065 6.7140 6.7140 7.5165 7.5165 7.5453 7.5453 8.0175 8.0175 10.4444 10.4444 10.9977 10.9977 11.5204 11.5204 13.1345 13.1345 13.2980 13.2980 13.5517 13.5517 13.6677 13.6677 13.6919 13.6919 14.3916 14.3916 k = 0.2636 0.5000 0.2636 ( 5672 PWs) bands (ev): -43.6331 -43.6331 -43.6126 -43.6126 -43.5922 -43.5922 -20.5339 -20.5339 -20.3953 -20.3953 -20.3573 -20.3573 -19.8541 -19.8541 -19.8334 -19.8334 -19.6930 -19.6930 -19.6616 -19.6616 -19.5698 -19.5698 -19.5274 -19.5274 -1.6424 -1.6424 6.7091 6.7091 7.5750 7.5750 7.6102 7.6102 8.0292 8.0292 10.3864 10.3864 11.0009 11.0009 11.5170 11.5170 13.0944 13.0944 13.2670 13.2670 13.5607 13.5607 13.7015 13.7015 13.7138 13.7138 14.4533 14.4533 k = 0.2545 0.5000 0.2545 ( 5672 PWs) bands (ev): -43.6344 -43.6344 -43.6126 -43.6126 -43.5909 -43.5909 -20.5277 -20.5277 -20.3948 -20.3948 -20.3539 -20.3539 -19.8555 -19.8555 -19.8299 -19.8299 -19.6960 -19.6960 -19.6634 -19.6634 -19.5739 -19.5739 -19.5293 -19.5293 -1.6783 -1.6783 6.7029 6.7029 7.6341 7.6341 7.6762 7.6762 8.0417 8.0417 10.3292 10.3292 11.0078 11.0078 11.5141 11.5141 13.0524 13.0524 13.2353 13.2353 13.5686 13.5686 13.7117 13.7117 13.7594 13.7594 14.5168 14.5168 k = 0.2455 0.5000 0.2455 ( 5672 PWs) bands (ev): -43.6357 -43.6357 -43.6126 -43.6126 -43.5897 -43.5897 -20.5218 -20.5218 -20.3944 -20.3944 -20.3504 -20.3504 -19.8573 -19.8573 -19.8260 -19.8260 -19.6988 -19.6988 -19.6651 -19.6651 -19.5778 -19.5778 -19.5312 -19.5312 -1.7140 -1.7140 6.6952 6.6952 7.6936 7.6936 7.7430 7.7430 8.0549 8.0549 10.2727 10.2727 11.0180 11.0180 11.5119 11.5119 13.0086 13.0086 13.2030 13.2030 13.5756 13.5756 13.7209 13.7209 13.8060 13.8060 14.5817 14.5817 k = 0.2364 0.5000 0.2364 ( 5672 PWs) bands (ev): -43.6371 -43.6371 -43.6127 -43.6127 -43.5884 -43.5884 -20.5162 -20.5162 -20.3939 -20.3939 -20.3468 -20.3468 -19.8594 -19.8594 -19.8218 -19.8218 -19.7016 -19.7016 -19.6669 -19.6669 -19.5818 -19.5818 -19.5330 -19.5330 -1.7493 -1.7493 6.6863 6.6863 7.7534 7.7534 7.8106 7.8106 8.0690 8.0690 10.2170 10.2170 11.0314 11.0314 11.5102 11.5102 12.9633 12.9633 13.1702 13.1702 13.5821 13.5821 13.7295 13.7295 13.8534 13.8534 14.6477 14.6477 k = 0.2273 0.5000 0.2273 ( 5684 PWs) bands (ev): -43.6383 -43.6383 -43.6127 -43.6127 -43.5872 -43.5872 -20.5108 -20.5108 -20.3934 -20.3934 -20.3432 -20.3432 -19.8617 -19.8617 -19.8174 -19.8174 -19.7042 -19.7042 -19.6686 -19.6686 -19.5858 -19.5858 -19.5347 -19.5347 -1.7842 -1.7842 6.6762 6.6762 7.8134 7.8134 7.8787 7.8787 8.0838 8.0838 10.1622 10.1622 11.0478 11.0478 11.5091 11.5091 12.9169 12.9169 13.1370 13.1370 13.5881 13.5881 13.7377 13.7377 13.9013 13.9013 14.7145 14.7145 k = 0.2182 0.5000 0.2182 ( 5676 PWs) bands (ev): -43.6396 -43.6396 -43.6127 -43.6127 -43.5860 -43.5860 -20.5057 -20.5057 -20.3929 -20.3929 -20.3396 -20.3396 -19.8640 -19.8640 -19.8130 -19.8130 -19.7068 -19.7068 -19.6703 -19.6703 -19.5897 -19.5897 -19.5363 -19.5363 -1.8185 -1.8185 6.6649 6.6649 7.8734 7.8734 7.9470 7.9470 8.0993 8.0993 10.1083 10.1083 11.0669 11.0669 11.5086 11.5086 12.8694 12.8694 13.1037 13.1037 13.5939 13.5939 13.7456 13.7456 13.9499 13.9499 14.7815 14.7815 k = 0.2091 0.5000 0.2091 ( 5678 PWs) bands (ev): -43.6409 -43.6409 -43.6127 -43.6127 -43.5847 -43.5847 -20.5010 -20.5010 -20.3923 -20.3923 -20.3360 -20.3360 -19.8664 -19.8664 -19.8084 -19.8084 -19.7092 -19.7092 -19.6721 -19.6721 -19.5936 -19.5936 -19.5378 -19.5378 -1.8523 -1.8523 6.6526 6.6526 7.9332 7.9332 8.0155 8.0155 8.1154 8.1154 10.0554 10.0554 11.0885 11.0885 11.5088 11.5088 12.8213 12.8213 13.0703 13.0703 13.5996 13.5996 13.7532 13.7532 13.9991 13.9991 14.8483 14.8483 k = 0.2000 0.5000 0.2000 ( 5678 PWs) bands (ev): -43.6422 -43.6422 -43.6128 -43.6128 -43.5835 -43.5835 -20.4966 -20.4966 -20.3917 -20.3917 -20.3324 -20.3324 -19.8687 -19.8687 -19.8039 -19.8039 -19.7115 -19.7115 -19.6737 -19.6737 -19.5975 -19.5975 -19.5390 -19.5390 -1.8853 -1.8853 6.6394 6.6394 7.9929 7.9929 8.0838 8.0838 8.1322 8.1322 10.0035 10.0035 11.1123 11.1123 11.5095 11.5095 12.7727 12.7727 13.0369 13.0369 13.6056 13.6056 13.7607 13.7607 14.0488 14.0488 14.9137 14.9137 k = 0.1909 0.5000 0.1909 ( 5670 PWs) bands (ev): -43.6434 -43.6434 -43.6128 -43.6128 -43.5824 -43.5824 -20.4926 -20.4926 -20.3910 -20.3910 -20.3288 -20.3288 -19.8710 -19.8710 -19.7993 -19.7993 -19.7138 -19.7138 -19.6753 -19.6753 -19.6014 -19.6014 -19.5402 -19.5402 -1.9175 -1.9175 6.6255 6.6255 8.0523 8.0523 8.1475 8.1475 8.1536 8.1536 9.9527 9.9527 11.1379 11.1379 11.5108 11.5108 12.7239 12.7239 13.0038 13.0038 13.6119 13.6119 13.7681 13.7681 14.0991 14.0991 14.9437 14.9437 k = 0.1818 0.5000 0.1818 ( 5668 PWs) bands (ev): -43.6446 -43.6446 -43.6128 -43.6128 -43.5812 -43.5812 -20.4890 -20.4890 -20.3902 -20.3902 -20.3252 -20.3252 -19.8733 -19.8733 -19.7948 -19.7948 -19.7160 -19.7160 -19.6769 -19.6769 -19.6054 -19.6054 -19.5412 -19.5412 -1.9488 -1.9488 6.6109 6.6109 8.1112 8.1112 8.1666 8.1666 8.2195 8.2195 9.9030 9.9030 11.1652 11.1652 11.5127 11.5127 12.6752 12.6752 12.9710 12.9710 13.6187 13.6187 13.7754 13.7754 14.1499 14.1499 14.9293 14.9293 k = 0.1727 0.5000 0.1727 ( 5672 PWs) bands (ev): -43.6457 -43.6457 -43.6128 -43.6128 -43.5801 -43.5801 -20.4858 -20.4858 -20.3894 -20.3894 -20.3216 -20.3216 -19.8754 -19.8754 -19.7903 -19.7903 -19.7181 -19.7181 -19.6784 -19.6784 -19.6093 -19.6093 -19.5420 -19.5420 -1.9791 -1.9791 6.5959 6.5959 8.1693 8.1693 8.1847 8.1847 8.2860 8.2860 9.8543 9.8543 11.1937 11.1937 11.5150 11.5150 12.6268 12.6268 12.9386 12.9386 13.6262 13.6262 13.7826 13.7826 14.2013 14.2013 14.9137 14.9137 k = 0.1636 0.5000 0.1636 ( 5676 PWs) bands (ev): -43.6469 -43.6469 -43.6129 -43.6129 -43.5790 -43.5790 -20.4830 -20.4830 -20.3885 -20.3885 -20.3182 -20.3182 -19.8774 -19.8774 -19.7858 -19.7858 -19.7202 -19.7202 -19.6798 -19.6798 -19.6132 -19.6132 -19.5426 -19.5426 -2.0083 -2.0083 6.5806 6.5806 8.2021 8.2021 8.2275 8.2275 8.3514 8.3514 9.8068 9.8068 11.2231 11.2231 11.5179 11.5179 12.5790 12.5790 12.9068 12.9068 13.6346 13.6346 13.7897 13.7897 14.2531 14.2531 14.8980 14.8980 k = 0.1545 0.5000 0.1545 ( 5660 PWs) bands (ev): -43.6480 -43.6480 -43.6129 -43.6129 -43.5779 -43.5779 -20.4806 -20.4806 -20.3874 -20.3874 -20.3148 -20.3148 -19.8793 -19.8793 -19.7814 -19.7814 -19.7222 -19.7222 -19.6812 -19.6812 -19.6171 -19.6171 -19.5430 -19.5430 -2.0365 -2.0365 6.5651 6.5651 8.2201 8.2201 8.2844 8.2844 8.4156 8.4156 9.7604 9.7604 11.2531 11.2531 11.5212 11.5212 12.5320 12.5320 12.8758 12.8758 13.6440 13.6440 13.7967 13.7967 14.3054 14.3054 14.8824 14.8824 k = 0.1455 0.5000 0.1455 ( 5660 PWs) bands (ev): -43.6490 -43.6490 -43.6129 -43.6129 -43.5769 -43.5769 -20.4786 -20.4786 -20.3864 -20.3864 -20.3115 -20.3115 -19.8810 -19.8810 -19.7770 -19.7770 -19.7242 -19.7242 -19.6824 -19.6824 -19.6210 -19.6210 -19.5433 -19.5433 -2.0633 -2.0633 6.5497 6.5497 8.2380 8.2380 8.3405 8.3405 8.4781 8.4781 9.7151 9.7151 11.2834 11.2834 11.5250 11.5250 12.4861 12.4861 12.8455 12.8455 13.6545 13.6545 13.8036 13.8036 14.3581 14.3581 14.8670 14.8670 k = 0.1364 0.5000 0.1364 ( 5666 PWs) bands (ev): -43.6500 -43.6500 -43.6129 -43.6129 -43.5759 -43.5759 -20.4770 -20.4770 -20.3852 -20.3852 -20.3084 -20.3084 -19.8826 -19.8826 -19.7727 -19.7727 -19.7262 -19.7262 -19.6836 -19.6836 -19.6249 -19.6249 -19.5435 -19.5435 -2.0890 -2.0890 6.5344 6.5344 8.2555 8.2555 8.3956 8.3956 8.5387 8.5387 9.6710 9.6710 11.3136 11.3136 11.5291 11.5291 12.4414 12.4414 12.8162 12.8162 13.6662 13.6662 13.8104 13.8104 14.4112 14.4112 14.8520 14.8520 k = 0.1273 0.5000 0.1273 ( 5670 PWs) bands (ev): -43.6510 -43.6510 -43.6129 -43.6129 -43.5750 -43.5750 -20.4757 -20.4757 -20.3840 -20.3840 -20.3053 -20.3053 -19.8840 -19.8840 -19.7684 -19.7684 -19.7282 -19.7282 -19.6847 -19.6847 -19.6288 -19.6288 -19.5435 -19.5435 -2.1132 -2.1132 6.5194 6.5194 8.2726 8.2726 8.4498 8.4498 8.5972 8.5972 9.6279 9.6279 11.3434 11.3434 11.5335 11.5335 12.3983 12.3983 12.7880 12.7880 13.6791 13.6791 13.8170 13.8170 14.4645 14.4645 14.8374 14.8374 k = 0.1182 0.5000 0.1182 ( 5662 PWs) bands (ev): -43.6519 -43.6519 -43.6130 -43.6130 -43.5741 -43.5741 -20.4746 -20.4746 -20.3828 -20.3828 -20.3025 -20.3025 -19.8853 -19.8853 -19.7642 -19.7642 -19.7301 -19.7301 -19.6858 -19.6858 -19.6327 -19.6327 -19.5434 -19.5434 -2.1361 -2.1361 6.5049 6.5049 8.2893 8.2893 8.5029 8.5029 8.6532 8.6532 9.5859 9.5859 11.3725 11.3725 11.5381 11.5381 12.3570 12.3570 12.7609 12.7609 13.6933 13.6933 13.8233 13.8233 14.5180 14.5180 14.8233 14.8233 k = 0.1091 0.5000 0.1091 ( 5658 PWs) bands (ev): -43.6527 -43.6527 -43.6130 -43.6130 -43.5733 -43.5733 -20.4739 -20.4739 -20.3815 -20.3815 -20.2998 -20.2998 -19.8864 -19.8864 -19.7600 -19.7600 -19.7319 -19.7319 -19.6868 -19.6868 -19.6365 -19.6365 -19.5431 -19.5431 -2.1575 -2.1575 6.4909 6.4909 8.3053 8.3053 8.5548 8.5548 8.7065 8.7065 9.5448 9.5448 11.4005 11.4005 11.5429 11.5429 12.3176 12.3176 12.7352 12.7352 13.7086 13.7086 13.8295 13.8295 14.5715 14.5715 14.8099 14.8099 k = 0.1000 0.5000 0.1000 ( 5670 PWs) bands (ev): -43.6535 -43.6535 -43.6130 -43.6130 -43.5725 -43.5725 -20.4733 -20.4733 -20.3803 -20.3803 -20.2972 -20.2972 -19.8873 -19.8873 -19.7560 -19.7560 -19.7337 -19.7337 -19.6877 -19.6877 -19.6402 -19.6402 -19.5428 -19.5428 -2.1773 -2.1773 6.4776 6.4776 8.3205 8.3205 8.6055 8.6055 8.7569 8.7569 9.5048 9.5048 11.4273 11.4273 11.5478 11.5478 12.2804 12.2804 12.7110 12.7110 13.7250 13.7250 13.8353 13.8353 14.6249 14.6249 14.7973 14.7973 k = 0.0909 0.5000 0.0909 ( 5646 PWs) bands (ev): -43.6543 -43.6543 -43.6130 -43.6130 -43.5718 -43.5718 -20.4730 -20.4730 -20.3791 -20.3791 -20.2949 -20.2949 -19.8881 -19.8881 -19.7520 -19.7520 -19.7355 -19.7355 -19.6886 -19.6886 -19.6439 -19.6439 -19.5424 -19.5424 -2.1956 -2.1956 6.4651 6.4651 8.3348 8.3348 8.6549 8.6549 8.8039 8.8039 9.4656 9.4656 11.4525 11.4525 11.5527 11.5527 12.2456 12.2456 12.6883 12.6883 13.7424 13.7424 13.8408 13.8408 14.6779 14.6779 14.7854 14.7854 k = 0.0818 0.5000 0.0818 ( 5646 PWs) bands (ev): -43.6549 -43.6549 -43.6130 -43.6130 -43.5712 -43.5712 -20.4728 -20.4728 -20.3779 -20.3779 -20.2928 -20.2928 -19.8888 -19.8888 -19.7482 -19.7482 -19.7370 -19.7370 -19.6895 -19.6895 -19.6474 -19.6474 -19.5420 -19.5420 -2.2123 -2.2123 6.4535 6.4535 8.3481 8.3481 8.7030 8.7030 8.8474 8.8474 9.4272 9.4272 11.4760 11.4760 11.5576 11.5576 12.2134 12.2134 12.6672 12.6672 13.7603 13.7603 13.8459 13.8459 14.7302 14.7302 14.7745 14.7745 k = 0.0727 0.5000 0.0727 ( 5654 PWs) bands (ev): -43.6555 -43.6555 -43.6130 -43.6130 -43.5706 -43.5706 -20.4728 -20.4728 -20.3768 -20.3768 -20.2908 -20.2908 -19.8893 -19.8893 -19.7447 -19.7447 -19.7383 -19.7383 -19.6904 -19.6904 -19.6507 -19.6507 -19.5415 -19.5415 -2.2274 -2.2274 6.4429 6.4429 8.3604 8.3604 8.7497 8.7497 8.8872 8.8872 9.3895 9.3895 11.4974 11.4974 11.5622 11.5622 12.1841 12.1841 12.6480 12.6480 13.7787 13.7787 13.8505 13.8505 14.7634 14.7634 14.7824 14.7824 k = 0.0636 0.5000 0.0636 ( 5654 PWs) bands (ev): -43.6561 -43.6561 -43.6130 -43.6130 -43.5701 -43.5701 -20.4728 -20.4728 -20.3758 -20.3758 -20.2891 -20.2891 -19.8898 -19.8898 -19.7421 -19.7421 -19.7386 -19.7386 -19.6913 -19.6913 -19.6539 -19.6539 -19.5411 -19.5411 -2.2408 -2.2408 6.4333 6.4333 8.3714 8.3714 8.7951 8.7951 8.9229 8.9229 9.3524 9.3524 11.5167 11.5167 11.5667 11.5667 12.1577 12.1577 12.6307 12.6307 13.7969 13.7969 13.8548 13.8548 14.7547 14.7547 14.8244 14.8244 k = 0.0545 0.5000 0.0545 ( 5662 PWs) bands (ev): -43.6566 -43.6566 -43.6130 -43.6130 -43.5696 -43.5696 -20.4728 -20.4728 -20.3749 -20.3749 -20.2876 -20.2876 -19.8901 -19.8901 -19.7422 -19.7422 -19.7364 -19.7364 -19.6923 -19.6923 -19.6568 -19.6568 -19.5406 -19.5406 -2.2524 -2.2524 6.4249 6.4249 8.3811 8.3811 8.8390 8.8390 8.9543 8.9543 9.3159 9.3159 11.5336 11.5336 11.5708 11.5708 12.1344 12.1344 12.6155 12.6155 13.8145 13.8145 13.8585 13.8585 14.7465 14.7465 14.8024 14.8024 k = 0.0455 0.5000 0.0455 ( 5670 PWs) bands (ev): -43.6570 -43.6570 -43.6131 -43.6131 -43.5692 -43.5692 -20.4730 -20.4730 -20.3741 -20.3741 -20.2863 -20.2863 -19.8903 -19.8903 -19.7431 -19.7431 -19.7334 -19.7334 -19.6932 -19.6932 -19.6594 -19.6594 -19.5402 -19.5402 -2.2623 -2.2623 6.4177 6.4177 8.3895 8.3895 8.8815 8.8815 8.9813 8.9813 9.2799 9.2799 11.5479 11.5479 11.5746 11.5746 12.1145 12.1145 12.6024 12.6024 13.8310 13.8310 13.8617 13.8617 14.7392 14.7392 14.7821 14.7821 k = 0.0364 0.5000 0.0364 ( 5670 PWs) bands (ev): -43.6573 -43.6573 -43.6131 -43.6131 -43.5689 -43.5689 -20.4731 -20.4731 -20.3735 -20.3735 -20.2853 -20.2853 -19.8905 -19.8905 -19.7439 -19.7439 -19.7305 -19.7305 -19.6942 -19.6942 -19.6616 -19.6616 -19.5398 -19.5398 -2.2705 -2.2705 6.4117 6.4117 8.3965 8.3965 8.9223 8.9223 9.0038 9.0038 9.2445 9.2445 11.5596 11.5596 11.5781 11.5781 12.0980 12.0980 12.5915 12.5915 13.8457 13.8457 13.8644 13.8644 14.7326 14.7326 14.7648 14.7648 k = 0.0273 0.5000 0.0273 ( 5666 PWs) bands (ev): -43.6575 -43.6575 -43.6131 -43.6131 -43.5687 -43.5687 -20.4732 -20.4732 -20.3730 -20.3730 -20.2845 -20.2845 -19.8906 -19.8906 -19.7446 -19.7446 -19.7281 -19.7281 -19.6952 -19.6952 -19.6634 -19.6634 -19.5395 -19.5395 -2.2768 -2.2768 6.4070 6.4070 8.4019 8.4019 8.9611 8.9611 9.0216 9.0216 9.2098 9.2098 11.5683 11.5683 11.5812 11.5812 12.0850 12.0850 12.5829 12.5829 13.8579 13.8579 13.8666 13.8666 14.7266 14.7266 14.7513 14.7513 k = 0.0182 0.5000 0.0182 ( 5666 PWs) bands (ev): -43.6577 -43.6577 -43.6131 -43.6131 -43.5685 -43.5685 -20.4733 -20.4733 -20.3726 -20.3726 -20.2839 -20.2839 -19.8907 -19.8907 -19.7452 -19.7452 -19.7261 -19.7261 -19.6960 -19.6960 -19.6647 -19.6647 -19.5393 -19.5393 -2.2813 -2.2813 6.4036 6.4036 8.4059 8.4059 8.9967 8.9967 9.0349 9.0349 9.1766 9.1766 11.5740 11.5740 11.5842 11.5842 12.0757 12.0757 12.5768 12.5768 13.8661 13.8661 13.8692 13.8692 14.7212 14.7212 14.7423 14.7423 k = 0.0091 0.5000 0.0091 ( 5670 PWs) bands (ev): -43.6578 -43.6578 -43.6131 -43.6131 -43.5684 -43.5684 -20.4733 -20.4733 -20.3724 -20.3724 -20.2835 -20.2835 -19.8908 -19.8908 -19.7455 -19.7455 -19.7248 -19.7248 -19.6966 -19.6966 -19.6655 -19.6655 -19.5392 -19.5392 -2.2841 -2.2841 6.4016 6.4016 8.4082 8.4082 9.0246 9.0246 9.0452 9.0452 9.1479 9.1479 11.5770 11.5770 11.5864 11.5864 12.0700 12.0700 12.5731 12.5731 13.8683 13.8683 13.8738 13.8738 14.7173 14.7173 14.7374 14.7374 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -43.6579 -43.6579 -43.6131 -43.6131 -43.5683 -43.5683 -20.4734 -20.4734 -20.3723 -20.3723 -20.2834 -20.2834 -19.8908 -19.8908 -19.7456 -19.7456 -19.7244 -19.7244 -19.6968 -19.6968 -19.6658 -19.6658 -19.5391 -19.5391 -2.2850 -2.2850 6.4009 6.4009 8.4090 8.4090 9.0344 9.0344 9.0522 9.0522 9.1343 9.1343 11.5779 11.5779 11.5872 11.5872 12.0681 12.0681 12.5718 12.5718 13.8687 13.8687 13.8756 13.8756 14.7158 14.7158 14.7359 14.7359 k = 0.5000 0.5000-0.0000 ( 5656 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4743 -20.4743 -20.3889 -20.3889 -20.3668 -20.3668 -19.8524 -19.8524 -19.7954 -19.7954 -19.7268 -19.7268 -19.7072 -19.7072 -19.5703 -19.5703 -19.5481 -19.5481 -1.6603 -1.6603 6.8612 6.8612 6.8699 6.8699 8.0452 8.0452 8.5677 8.5677 10.4874 10.4874 10.4965 10.4965 11.4871 11.4871 13.3010 13.3010 13.3143 13.3143 13.5419 13.5419 13.5669 13.5669 14.1036 14.1036 14.5915 14.5915 k = 0.5000 0.5000 0.0128 ( 5680 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4747 -20.4747 -20.3890 -20.3890 -20.3668 -20.3668 -19.8523 -19.8523 -19.7958 -19.7958 -19.7266 -19.7266 -19.7068 -19.7068 -19.5701 -19.5701 -19.5480 -19.5480 -1.6594 -1.6594 6.8609 6.8609 6.8695 6.8695 8.0450 8.0450 8.5642 8.5642 10.4885 10.4885 10.4975 10.4975 11.4873 11.4873 13.3018 13.3018 13.3151 13.3151 13.5419 13.5419 13.5669 13.5669 14.1006 14.1006 14.5873 14.5873 k = 0.5000 0.5000 0.0256 ( 5680 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4759 -20.4759 -20.3890 -20.3890 -20.3668 -20.3668 -19.8521 -19.8521 -19.7970 -19.7970 -19.7260 -19.7260 -19.7058 -19.7058 -19.5698 -19.5698 -19.5478 -19.5478 -1.6567 -1.6567 6.8598 6.8598 6.8684 6.8684 8.0442 8.0442 8.5537 8.5537 10.4917 10.4917 10.5008 10.5008 11.4880 11.4880 13.3041 13.3041 13.3174 13.3174 13.5419 13.5419 13.5669 13.5669 14.0917 14.0917 14.5752 14.5752 k = 0.5000 0.5000 0.0385 ( 5680 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4778 -20.4778 -20.3892 -20.3892 -20.3669 -20.3669 -19.8517 -19.8517 -19.7989 -19.7989 -19.7250 -19.7250 -19.7041 -19.7041 -19.5693 -19.5693 -19.5474 -19.5474 -1.6522 -1.6522 6.8580 6.8580 6.8665 6.8665 8.0428 8.0428 8.5364 8.5364 10.4971 10.4971 10.5062 10.5062 11.4891 11.4891 13.3080 13.3080 13.3213 13.3213 13.5420 13.5420 13.5670 13.5670 14.0772 14.0772 14.5559 14.5559 k = 0.5000 0.5000 0.0513 ( 5672 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4805 -20.4805 -20.3894 -20.3894 -20.3670 -20.3670 -19.8511 -19.8511 -19.8015 -19.8015 -19.7236 -19.7236 -19.7019 -19.7019 -19.5686 -19.5686 -19.5469 -19.5469 -1.6458 -1.6458 6.8554 6.8554 6.8640 6.8640 8.0410 8.0410 8.5123 8.5123 10.5046 10.5046 10.5138 10.5138 11.4907 11.4907 13.3133 13.3133 13.3266 13.3266 13.5420 13.5420 13.5670 13.5670 14.0573 14.0573 14.5309 14.5309 k = 0.5000 0.5000 0.0641 ( 5680 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4838 -20.4838 -20.3896 -20.3896 -20.3673 -20.3673 -19.8505 -19.8505 -19.8046 -19.8046 -19.7219 -19.7219 -19.6992 -19.6992 -19.5677 -19.5677 -19.5462 -19.5462 -1.6378 -1.6378 6.8522 6.8522 6.8607 6.8607 8.0386 8.0386 8.4818 8.4818 10.5143 10.5143 10.5236 10.5236 11.4926 11.4926 13.3200 13.3200 13.3333 13.3333 13.5419 13.5419 13.5670 13.5670 14.0325 14.0325 14.5012 14.5012 k = 0.5000 0.5000 0.0769 ( 5680 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4878 -20.4878 -20.3899 -20.3899 -20.3676 -20.3676 -19.8496 -19.8496 -19.8082 -19.8082 -19.7198 -19.7198 -19.6962 -19.6962 -19.5665 -19.5665 -19.5453 -19.5453 -1.6280 -1.6280 6.8483 6.8483 6.8567 6.8567 8.0358 8.0358 8.4451 8.4451 10.5261 10.5261 10.5355 10.5355 11.4951 11.4951 13.3280 13.3280 13.3412 13.3412 13.5418 13.5418 13.5670 13.5670 14.0031 14.0031 14.4681 14.4681 k = 0.5000 0.5000 0.0897 ( 5680 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4923 -20.4923 -20.3902 -20.3902 -20.3680 -20.3680 -19.8487 -19.8487 -19.8121 -19.8121 -19.7173 -19.7173 -19.6930 -19.6930 -19.5652 -19.5652 -19.5443 -19.5443 -1.6165 -1.6165 6.8438 6.8438 6.8520 6.8520 8.0325 8.0325 8.4025 8.4025 10.5402 10.5402 10.5497 10.5497 11.4979 11.4979 13.3371 13.3371 13.3503 13.3503 13.5416 13.5416 13.5668 13.5668 13.9699 13.9699 14.4326 14.4326 k = 0.5000 0.5000 0.1026 ( 5672 PWs) bands (ev): -43.6129 -43.6129 -43.6126 -43.6126 -43.6126 -43.6126 -20.4974 -20.4974 -20.3906 -20.3906 -20.3685 -20.3685 -19.8477 -19.8477 -19.8162 -19.8162 -19.7146 -19.7146 -19.6897 -19.6897 -19.5637 -19.5637 -19.5432 -19.5432 -1.6034 -1.6034 6.8387 6.8387 6.8467 6.8467 8.0287 8.0287 8.3545 8.3545 10.5564 10.5564 10.5660 10.5660 11.5011 11.5011 13.3471 13.3471 13.3603 13.3603 13.5412 13.5412 13.5665 13.5665 13.9333 13.9333 14.3954 14.3954 k = 0.5000 0.5000 0.1154 ( 5668 PWs) bands (ev): -43.6128 -43.6128 -43.6126 -43.6126 -43.6126 -43.6126 -20.5029 -20.5029 -20.3910 -20.3910 -20.3691 -20.3691 -19.8465 -19.8465 -19.8205 -19.8205 -19.7116 -19.7116 -19.6862 -19.6862 -19.5619 -19.5619 -19.5419 -19.5419 -1.5887 -1.5887 6.8329 6.8329 6.8408 6.8408 8.0246 8.0246 8.3014 8.3014 10.5748 10.5748 10.5846 10.5846 11.5047 11.5047 13.3579 13.3579 13.3711 13.3711 13.5406 13.5406 13.5660 13.5660 13.8938 13.8938 14.3571 14.3571 k = 0.5000 0.5000 0.1282 ( 5676 PWs) bands (ev): -43.6128 -43.6128 -43.6126 -43.6126 -43.6126 -43.6126 -20.5088 -20.5088 -20.3915 -20.3915 -20.3699 -20.3699 -19.8453 -19.8453 -19.8250 -19.8250 -19.7084 -19.7084 -19.6828 -19.6828 -19.5600 -19.5600 -19.5404 -19.5404 -1.5726 -1.5726 6.8266 6.8266 6.8343 6.8343 8.0200 8.0200 8.2437 8.2437 10.5954 10.5954 10.6054 10.6054 11.5087 11.5087 13.3693 13.3693 13.3825 13.3825 13.5397 13.5397 13.5652 13.5652 13.8521 13.8521 14.3183 14.3183 k = 0.5000 0.5000 0.1410 ( 5668 PWs) bands (ev): -43.6128 -43.6128 -43.6125 -43.6125 -43.6125 -43.6125 -20.5150 -20.5150 -20.3920 -20.3920 -20.3708 -20.3708 -19.8440 -19.8440 -19.8295 -19.8295 -19.7050 -19.7050 -19.6794 -19.6794 -19.5579 -19.5579 -19.5388 -19.5388 -1.5550 -1.5550 6.8198 6.8198 6.8274 6.8274 8.0151 8.0151 8.1819 8.1819 10.6182 10.6182 10.6283 10.6283 11.5131 11.5131 13.3810 13.3810 13.3942 13.3942 13.5386 13.5386 13.5642 13.5642 13.8087 13.8087 14.2792 14.2792 k = 0.5000 0.5000 0.1538 ( 5660 PWs) bands (ev): -43.6128 -43.6128 -43.6125 -43.6125 -43.6125 -43.6125 -20.5215 -20.5215 -20.3925 -20.3925 -20.3719 -20.3719 -19.8427 -19.8427 -19.8340 -19.8340 -19.7015 -19.7015 -19.6760 -19.6760 -19.5556 -19.5556 -19.5371 -19.5371 -1.5361 -1.5361 6.8126 6.8126 6.8199 6.8199 8.0098 8.0098 8.1165 8.1165 10.6432 10.6432 10.6535 10.6535 11.5178 11.5178 13.3927 13.3927 13.4059 13.4059 13.5372 13.5372 13.5628 13.5628 13.7640 13.7640 14.2403 14.2403 k = 0.5000 0.5000 0.1667 ( 5660 PWs) bands (ev): -43.6127 -43.6127 -43.6125 -43.6125 -43.6125 -43.6125 -20.5283 -20.5283 -20.3931 -20.3931 -20.3731 -20.3731 -19.8413 -19.8413 -19.8386 -19.8386 -19.6978 -19.6978 -19.6727 -19.6727 -19.5532 -19.5532 -19.5352 -19.5352 -1.5159 -1.5159 6.8049 6.8049 6.8120 6.8120 8.0043 8.0043 8.0479 8.0479 10.6704 10.6704 10.6809 10.6809 11.5228 11.5228 13.4040 13.4040 13.4174 13.4174 13.5356 13.5356 13.5611 13.5611 13.7185 13.7185 14.2016 14.2016 k = 0.5000 0.5000 0.1795 ( 5668 PWs) bands (ev): -43.6127 -43.6127 -43.6125 -43.6125 -43.6125 -43.6125 -20.5352 -20.5352 -20.3937 -20.3937 -20.3744 -20.3744 -19.8431 -19.8431 -19.8399 -19.8399 -19.6941 -19.6941 -19.6696 -19.6696 -19.5505 -19.5505 -19.5333 -19.5333 -1.4946 -1.4946 6.7968 6.7968 6.8037 6.8037 7.9767 7.9767 7.9984 7.9984 10.6996 10.6996 10.7104 10.7104 11.5281 11.5281 13.4146 13.4146 13.4283 13.4283 13.5338 13.5338 13.5593 13.5593 13.6727 13.6727 14.1636 14.1636 k = 0.5000 0.5000 0.1923 ( 5660 PWs) bands (ev): -43.6127 -43.6127 -43.6125 -43.6125 -43.6125 -43.6125 -20.5422 -20.5422 -20.3943 -20.3943 -20.3758 -20.3758 -19.8476 -19.8476 -19.8385 -19.8385 -19.6903 -19.6903 -19.6666 -19.6666 -19.5478 -19.5478 -19.5312 -19.5312 -1.4723 -1.4723 6.7884 6.7884 6.7952 6.7952 7.9033 7.9033 7.9924 7.9924 10.7310 10.7310 10.7420 10.7420 11.5336 11.5336 13.4238 13.4238 13.4379 13.4379 13.5322 13.5322 13.5573 13.5573 13.6269 13.6269 14.1262 14.1262 k = 0.5000 0.5000 0.2051 ( 5668 PWs) bands (ev): -43.6127 -43.6127 -43.6125 -43.6125 -43.6125 -43.6125 -20.5493 -20.5493 -20.3949 -20.3949 -20.3773 -20.3773 -19.8520 -19.8520 -19.8370 -19.8370 -19.6865 -19.6865 -19.6637 -19.6637 -19.5449 -19.5449 -19.5291 -19.5291 -1.4491 -1.4491 6.7798 6.7798 6.7863 6.7863 7.8283 7.8283 7.9862 7.9862 10.7645 10.7645 10.7757 10.7757 11.5394 11.5394 13.4307 13.4307 13.4458 13.4458 13.5311 13.5311 13.5557 13.5557 13.5817 13.5817 14.0897 14.0897 k = 0.5000 0.5000 0.2179 ( 5676 PWs) bands (ev): -43.6126 -43.6126 -43.6124 -43.6124 -43.6124 -43.6124 -20.5564 -20.5564 -20.3956 -20.3956 -20.3789 -20.3789 -19.8562 -19.8562 -19.8356 -19.8356 -19.6827 -19.6827 -19.6610 -19.6610 -19.5419 -19.5419 -19.5268 -19.5268 -1.4251 -1.4251 6.7710 6.7710 6.7772 6.7772 7.7522 7.7522 7.9799 7.9799 10.8000 10.8000 10.8114 10.8114 11.5454 11.5454 13.4342 13.4342 13.4510 13.4510 13.5302 13.5302 13.5383 13.5383 13.5549 13.5549 14.0542 14.0542 k = 0.5000 0.5000 0.2308 ( 5684 PWs) bands (ev): -43.6126 -43.6126 -43.6124 -43.6124 -43.6124 -43.6124 -20.5635 -20.5635 -20.3963 -20.3963 -20.3806 -20.3806 -19.8604 -19.8604 -19.8342 -19.8342 -19.6790 -19.6790 -19.6585 -19.6585 -19.5388 -19.5388 -19.5245 -19.5245 -1.4004 -1.4004 6.7620 6.7620 6.7680 6.7680 7.6754 7.6754 7.9734 7.9734 10.8374 10.8374 10.8491 10.8491 11.5516 11.5516 13.4329 13.4329 13.4526 13.4526 13.4942 13.4942 13.5337 13.5337 13.5556 13.5556 14.0198 14.0198 k = 0.5000 0.5000 0.2436 ( 5684 PWs) bands (ev): -43.6126 -43.6126 -43.6124 -43.6124 -43.6124 -43.6124 -20.5705 -20.5705 -20.3970 -20.3970 -20.3823 -20.3823 -19.8645 -19.8645 -19.8328 -19.8328 -19.6753 -19.6753 -19.6561 -19.6561 -19.5356 -19.5356 -19.5222 -19.5222 -1.3753 -1.3753 6.7529 6.7529 6.7587 6.7587 7.5984 7.5984 7.9669 7.9669 10.8767 10.8767 10.8886 10.8886 11.5579 11.5579 13.4232 13.4232 13.4500 13.4500 13.4567 13.4567 13.5376 13.5376 13.5580 13.5580 13.9865 13.9865 k = 0.5000 0.5000 0.2564 ( 5684 PWs) bands (ev): -43.6125 -43.6125 -43.6124 -43.6124 -43.6124 -43.6124 -20.5774 -20.5774 -20.3977 -20.3977 -20.3840 -20.3840 -19.8684 -19.8684 -19.8315 -19.8315 -19.6718 -19.6718 -19.6539 -19.6539 -19.5323 -19.5323 -19.5198 -19.5198 -1.3498 -1.3498 6.7438 6.7438 6.7494 6.7494 7.5217 7.5217 7.9604 7.9604 10.9177 10.9177 10.9299 10.9299 11.5643 11.5643 13.3968 13.3968 13.4328 13.4328 13.4429 13.4429 13.5433 13.5433 13.5624 13.5624 13.9545 13.9545 k = 0.5000 0.5000 0.2692 ( 5692 PWs) bands (ev): -43.6125 -43.6125 -43.6124 -43.6124 -43.6124 -43.6124 -20.5842 -20.5842 -20.3983 -20.3983 -20.3858 -20.3858 -19.8721 -19.8721 -19.8301 -19.8301 -19.6683 -19.6683 -19.6518 -19.6518 -19.5290 -19.5290 -19.5174 -19.5174 -1.3241 -1.3241 6.7348 6.7348 6.7401 6.7401 7.4458 7.4458 7.9540 7.9540 10.9604 10.9604 10.9728 10.9728 11.5707 11.5707 13.3600 13.3600 13.4166 13.4166 13.4316 13.4316 13.5502 13.5502 13.5681 13.5681 13.9238 13.9238 k = 0.5000 0.5000 0.2821 ( 5692 PWs) bands (ev): -43.6125 -43.6125 -43.6124 -43.6124 -43.6124 -43.6124 -20.5908 -20.5908 -20.3990 -20.3990 -20.3876 -20.3876 -19.8757 -19.8757 -19.8289 -19.8289 -19.6650 -19.6650 -19.6499 -19.6499 -19.5257 -19.5257 -19.5150 -19.5150 -1.2983 -1.2983 6.7258 6.7258 6.7310 6.7310 7.3711 7.3711 7.9476 7.9476 11.0045 11.0045 11.0172 11.0172 11.5772 11.5772 13.3223 13.3223 13.3995 13.3995 13.4163 13.4163 13.5577 13.5577 13.5748 13.5748 13.8944 13.8944 k = 0.5000 0.5000 0.2949 ( 5692 PWs) bands (ev): -43.6125 -43.6125 -43.6123 -43.6123 -43.6123 -43.6123 -20.5972 -20.5972 -20.3997 -20.3997 -20.3893 -20.3893 -19.8791 -19.8791 -19.8276 -19.8276 -19.6618 -19.6618 -19.6481 -19.6481 -19.5225 -19.5225 -19.5127 -19.5127 -1.2728 -1.2728 6.7170 6.7170 6.7219 6.7219 7.2980 7.2980 7.9413 7.9413 11.0500 11.0500 11.0629 11.0629 11.5836 11.5836 13.2856 13.2856 13.3797 13.3797 13.3976 13.3976 13.5655 13.5655 13.5819 13.5819 13.8665 13.8665 k = 0.5000 0.5000 0.3077 ( 5692 PWs) bands (ev): -43.6124 -43.6124 -43.6123 -43.6123 -43.6123 -43.6123 -20.6033 -20.6033 -20.4004 -20.4004 -20.3911 -20.3911 -19.8824 -19.8824 -19.8265 -19.8265 -19.6588 -19.6588 -19.6465 -19.6465 -19.5192 -19.5192 -19.5104 -19.5104 -1.2475 -1.2475 6.7084 6.7084 6.7131 6.7131 7.2270 7.2270 7.9352 7.9352 11.0965 11.0965 11.1097 11.1097 11.5900 11.5900 13.2504 13.2504 13.3573 13.3573 13.3757 13.3757 13.5732 13.5732 13.5891 13.5891 13.8401 13.8401 k = 0.5000 0.5000 0.3205 ( 5692 PWs) bands (ev): -43.6124 -43.6124 -43.6123 -43.6123 -43.6123 -43.6123 -20.6092 -20.6092 -20.4010 -20.4010 -20.3928 -20.3928 -19.8854 -19.8854 -19.8254 -19.8254 -19.6559 -19.6559 -19.6451 -19.6451 -19.5161 -19.5161 -19.5082 -19.5082 -1.2227 -1.2227 6.7000 6.7000 6.7046 6.7046 7.1584 7.1584 7.9292 7.9292 11.1440 11.1440 11.1574 11.1574 11.5962 11.5962 13.2170 13.2170 13.3323 13.3323 13.3509 13.3509 13.5807 13.5807 13.5962 13.5962 13.8153 13.8153 k = 0.5000 0.5000 0.3333 ( 5700 PWs) bands (ev): -43.6124 -43.6124 -43.6123 -43.6123 -43.6123 -43.6123 -20.6148 -20.6148 -20.4017 -20.4017 -20.3944 -20.3944 -19.8883 -19.8883 -19.8243 -19.8243 -19.6533 -19.6533 -19.6437 -19.6437 -19.5130 -19.5130 -19.5060 -19.5060 -1.1986 -1.1986 6.6920 6.6920 6.6964 6.6964 7.0927 7.0927 7.9235 7.9235 11.1920 11.1920 11.2058 11.2058 11.6023 11.6023 13.1855 13.1855 13.3049 13.3049 13.3236 13.3236 13.5879 13.5879 13.6031 13.6031 13.7920 13.7920 k = 0.5000 0.5000 0.3462 ( 5692 PWs) bands (ev): -43.6123 -43.6123 -43.6123 -43.6123 -43.6123 -43.6123 -20.6201 -20.6201 -20.4023 -20.4023 -20.3960 -20.3960 -19.8910 -19.8910 -19.8233 -19.8233 -19.6508 -19.6508 -19.6425 -19.6425 -19.5100 -19.5100 -19.5039 -19.5039 -1.1754 -1.1754 6.6843 6.6843 6.6885 6.6885 7.0302 7.0302 7.9181 7.9181 11.2403 11.2403 11.2544 11.2544 11.6081 11.6081 13.1561 13.1561 13.2755 13.2755 13.2940 13.2940 13.5946 13.5946 13.6095 13.6095 13.7703 13.7703 k = 0.5000 0.5000 0.3590 ( 5700 PWs) bands (ev): -43.6123 -43.6123 -43.6123 -43.6123 -43.6123 -43.6123 -20.6250 -20.6250 -20.4028 -20.4028 -20.3975 -20.3975 -19.8935 -19.8935 -19.8224 -19.8224 -19.6484 -19.6484 -19.6414 -19.6414 -19.5072 -19.5072 -19.5020 -19.5020 -1.1532 -1.1532 6.6771 6.6771 6.6811 6.6811 6.9712 6.9712 7.9129 7.9129 11.2886 11.2886 11.3029 11.3029 11.6137 11.6137 13.1287 13.1287 13.2443 13.2443 13.2625 13.2625 13.6008 13.6008 13.6155 13.6155 13.7503 13.7503 k = 0.5000 0.5000 0.3718 ( 5692 PWs) bands (ev): -43.6123 -43.6123 -43.6123 -43.6123 -43.6123 -43.6123 -20.6296 -20.6296 -20.4034 -20.4034 -20.3989 -20.3989 -19.8957 -19.8957 -19.8216 -19.8216 -19.6463 -19.6463 -19.6405 -19.6405 -19.5045 -19.5045 -19.5001 -19.5001 -1.1322 -1.1322 6.6703 6.6703 6.6742 6.6742 6.9162 6.9162 7.9081 7.9081 11.3363 11.3363 11.3508 11.3508 11.6190 11.6190 13.1036 13.1036 13.2119 13.2119 13.2298 13.2298 13.6065 13.6065 13.6209 13.6209 13.7320 13.7320 k = 0.5000 0.5000 0.3846 ( 5700 PWs) bands (ev): -43.6123 -43.6123 -43.6122 -43.6122 -43.6122 -43.6122 -20.6338 -20.6338 -20.4039 -20.4039 -20.4002 -20.4002 -19.8978 -19.8978 -19.8208 -19.8208 -19.6444 -19.6444 -19.6396 -19.6396 -19.5021 -19.5021 -19.4984 -19.4984 -1.1127 -1.1127 6.6641 6.6641 6.6678 6.6678 6.8654 6.8654 7.9037 7.9037 11.3830 11.3830 11.3977 11.3977 11.6240 11.6240 13.0806 13.0806 13.1787 13.1787 13.1962 13.1962 13.6117 13.6117 13.6258 13.6258 13.7155 13.7155 k = 0.5000 0.5000 0.3974 ( 5692 PWs) bands (ev): -43.6123 -43.6123 -43.6122 -43.6122 -43.6122 -43.6122 -20.6376 -20.6376 -20.4043 -20.4043 -20.4014 -20.4014 -19.8996 -19.8996 -19.8201 -19.8201 -19.6427 -19.6427 -19.6389 -19.6389 -19.4998 -19.4998 -19.4969 -19.4969 -1.0946 -1.0946 6.6583 6.6583 6.6620 6.6620 6.8191 6.8191 7.8997 7.8997 11.4281 11.4281 11.4430 11.4430 11.6286 11.6286 13.0598 13.0598 13.1455 13.1455 13.1624 13.1624 13.6163 13.6163 13.6300 13.6300 13.7008 13.7008 k = 0.5000 0.5000 0.4103 ( 5700 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6410 -20.6410 -20.4047 -20.4047 -20.4025 -20.4025 -19.9013 -19.9013 -19.8195 -19.8195 -19.6411 -19.6411 -19.6382 -19.6382 -19.4978 -19.4978 -19.4955 -19.4955 -1.0783 -1.0783 6.6532 6.6532 6.6568 6.6568 6.7776 6.7776 7.8960 7.8960 11.4709 11.4709 11.4859 11.4859 11.6329 11.6329 13.0413 13.0413 13.1131 13.1131 13.1293 13.1293 13.6204 13.6204 13.6336 13.6336 13.6880 13.6880 k = 0.5000 0.5000 0.4231 ( 5700 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6440 -20.6440 -20.4051 -20.4051 -20.4034 -20.4034 -19.9027 -19.9027 -19.8190 -19.8190 -19.6398 -19.6398 -19.6376 -19.6376 -19.4960 -19.4960 -19.4943 -19.4943 -1.0638 -1.0638 6.6487 6.6487 6.6521 6.6521 6.7411 6.7411 7.8928 7.8928 11.5106 11.5106 11.5256 11.5256 11.6368 11.6368 13.0249 13.0249 13.0823 13.0823 13.0977 13.0977 13.6240 13.6240 13.6363 13.6363 13.6772 13.6772 k = 0.5000 0.5000 0.4359 ( 5700 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6465 -20.6465 -20.4054 -20.4054 -20.4043 -20.4043 -19.9039 -19.9039 -19.8185 -19.8185 -19.6387 -19.6387 -19.6372 -19.6372 -19.4944 -19.4944 -19.4932 -19.4932 -1.0513 -1.0513 6.6448 6.6448 6.6482 6.6482 6.7099 6.7099 7.8901 7.8901 11.5465 11.5465 11.5613 11.5613 11.6404 11.6404 13.0105 13.0105 13.0544 13.0544 13.0685 13.0685 13.6270 13.6270 13.6379 13.6379 13.6688 13.6688 k = 0.5000 0.5000 0.4487 ( 5684 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6486 -20.6486 -20.4057 -20.4057 -20.4049 -20.4049 -19.9049 -19.9049 -19.8182 -19.8182 -19.6378 -19.6378 -19.6368 -19.6368 -19.4931 -19.4931 -19.4924 -19.4924 -1.0410 -1.0410 6.6416 6.6416 6.6449 6.6449 6.6841 6.6841 7.8878 7.8878 11.5776 11.5776 11.5916 11.5916 11.6440 11.6440 12.9979 12.9979 13.0304 13.0304 13.0426 13.0426 13.6295 13.6295 13.6382 13.6382 13.6628 13.6628 k = 0.5000 0.5000 0.4615 ( 5668 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6502 -20.6502 -20.4059 -20.4059 -20.4055 -20.4055 -19.9057 -19.9057 -19.8179 -19.8179 -19.6371 -19.6371 -19.6365 -19.6365 -19.4921 -19.4921 -19.4917 -19.4917 -1.0328 -1.0328 6.6390 6.6390 6.6424 6.6424 6.6639 6.6639 7.8861 7.8861 11.6031 11.6031 11.6150 11.6150 11.6482 11.6482 12.9865 12.9865 13.0121 13.0121 13.0212 13.0212 13.6314 13.6314 13.6373 13.6373 13.6594 13.6594 k = 0.5000 0.5000 0.4744 ( 5652 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6514 -20.6514 -20.4060 -20.4060 -20.4058 -20.4058 -19.9062 -19.9062 -19.8177 -19.8177 -19.6365 -19.6365 -19.6363 -19.6363 -19.4914 -19.4914 -19.4912 -19.4912 -1.0269 -1.0269 6.6370 6.6370 6.6406 6.6406 6.6496 6.6496 7.8848 7.8848 11.6220 11.6220 11.6296 11.6296 11.6542 11.6542 12.9764 12.9764 13.0001 13.0001 13.0051 13.0051 13.6328 13.6328 13.6357 13.6357 13.6578 13.6578 k = 0.5000 0.5000 0.4872 ( 5616 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6521 -20.6521 -20.4061 -20.4061 -20.4061 -20.4061 -19.9066 -19.9066 -19.8175 -19.8175 -19.6362 -19.6362 -19.6362 -19.6362 -19.4909 -19.4909 -19.4909 -19.4909 -1.0233 -1.0233 6.6353 6.6353 6.6394 6.6394 6.6414 6.6414 7.8840 7.8840 11.6336 11.6336 11.6360 11.6360 11.6605 11.6605 12.9693 12.9693 12.9937 12.9937 12.9951 12.9951 13.6336 13.6336 13.6344 13.6344 13.6573 13.6573 k = 0.5000 0.5000 0.5000 ( 5616 PWs) bands (ev): -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -43.6122 -20.6523 -20.6523 -20.4061 -20.4061 -20.4061 -20.4061 -19.9067 -19.9067 -19.8175 -19.8175 -19.6361 -19.6361 -19.6361 -19.6361 -19.4908 -19.4908 -19.4908 -19.4908 -1.0221 -1.0221 6.6343 6.6343 6.6391 6.6391 6.6391 6.6391 7.8838 7.8838 11.6376 11.6376 11.6376 11.6376 11.6632 11.6632 12.9666 12.9666 12.9917 12.9917 12.9917 12.9917 13.6339 13.6339 13.6339 13.6339 13.6571 13.6571 Writing output data file Ti3AlN.save init_run : 0.16s CPU 0.29s WALL ( 1 calls) electrons : 310.01s CPU 314.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 310.00s CPU 314.17s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 300 calls) cegterg : 297.09s CPU 300.72s WALL ( 802 calls) Called by sum_band: Called by *egterg: h_psi : 160.56s CPU 163.26s WALL ( 14539 calls) s_psi : 5.88s CPU 5.79s WALL ( 14539 calls) g_psi : 0.51s CPU 0.54s WALL ( 13437 calls) cdiaghg : 101.81s CPU 102.42s WALL ( 13737 calls) cegterg:over : 12.59s CPU 13.05s WALL ( 13437 calls) cegterg:upda : 12.05s CPU 12.36s WALL ( 13437 calls) cegterg:last : 5.85s CPU 5.89s WALL ( 2008 calls) cdiaghg:chol : 5.92s CPU 5.77s WALL ( 13737 calls) cdiaghg:inve : 4.04s CPU 3.88s WALL ( 13737 calls) cdiaghg:para : 6.03s CPU 6.04s WALL ( 27474 calls) Called by h_psi: h_psi:vloc : 138.66s CPU 141.00s WALL ( 14539 calls) h_psi:vnl : 21.43s CPU 21.74s WALL ( 14539 calls) add_vuspsi : 11.02s CPU 11.28s WALL ( 14539 calls) General routines calbec : 10.36s CPU 10.41s WALL ( 14539 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 131.64s CPU 133.84s WALL ( 1270412 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.24s WALL ( 600 calls) Parallel routines fft_scatter : 44.22s CPU 45.15s WALL ( 1270435 calls) PWSCF : 5m27.03s CPU 5m40.23s WALL This run was terminated on: 19:36:53 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=