Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:14:15 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: ./KLiTe.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 75 20 4751 4751 686 Max 76 76 21 4762 4762 697 Sum 2733 2733 749 171251 171251 24965 bravais-lattice index = 14 lattice parameter (alat) = 9.1274 a.u. unit-cell volume = 1212.8499 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.127377 celldm(2)= 1.000000 celldm(3)= 1.595031 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 1.595031 ) 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 0.626947 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) K 9.00 39.09830 K( 1.00) Te 6.00 127.60000 Te( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0033784 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0033784 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0033784 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0033784 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033784 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0033784 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0033784 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0033784 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0033784 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0033784 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0033784 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0033784 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0033784 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0033784 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0033784 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033784 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0033784 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0033784 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0033784 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0033784 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0033784 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0033784 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0033784 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0033784 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0033784 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0033784 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0033784 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0033784 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0033784 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0033784 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0033784 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0033784 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0033784 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0033784 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0033784 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0033784 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033784 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0033784 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0033784 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0033784 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0033784 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0033784 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0033784 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0033784 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0033784 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0033784 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0033784 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033784 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0033784 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0033784 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0033784 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0033784 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0033784 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0033784 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0033784 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0033784 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0033784 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033784 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033784 k( 70) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0033784 k( 71) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0033784 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0033784 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0033784 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0033784 k( 75) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0033784 k( 76) = ( 0.4239130 0.4239130 -0.0000000), wk = 0.0033784 k( 77) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0033784 k( 78) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0033784 k( 79) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0033784 k( 80) = ( 0.3804348 0.3804348 -0.0000000), wk = 0.0033784 k( 81) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0033784 k( 82) = ( 0.3586956 0.3586956 -0.0000000), wk = 0.0033784 k( 83) = ( 0.3478261 0.3478261 -0.0000000), wk = 0.0033784 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0033784 k( 85) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0033784 k( 86) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0033784 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0033784 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0033784 k( 89) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0033784 k( 90) = ( 0.2717391 0.2717391 -0.0000000), wk = 0.0033784 k( 91) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0033784 k( 92) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033784 k( 93) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0033784 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0033784 k( 95) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0033784 k( 96) = ( 0.2065217 0.2065217 -0.0000000), wk = 0.0033784 k( 97) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0033784 k( 98) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0033784 k( 99) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0033784 k( 100) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0033784 k( 101) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0033784 k( 102) = ( 0.1413043 0.1413043 -0.0000000), wk = 0.0033784 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0033784 k( 104) = ( 0.1195652 0.1195652 -0.0000000), wk = 0.0033784 k( 105) = ( 0.1086957 0.1086956 -0.0000000), wk = 0.0033784 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0033784 k( 107) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0033784 k( 108) = ( 0.0760870 0.0760870 -0.0000000), wk = 0.0033784 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0033784 k( 110) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0033784 k( 111) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0033784 k( 112) = ( 0.0326087 0.0326087 -0.0000000), wk = 0.0033784 k( 113) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0033784 k( 114) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0149273), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0298546), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0447819), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0597092), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.0746366), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.0895639), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.1044912), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1194185), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.1343458), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.1492731), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.1642004), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.1791277), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.1940550), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.2089823), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.2239097), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.2388370), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.2537643), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.2686916), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.2836189), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.2985462), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.3134735), wk = 0.0033784 k( 138) = ( 0.0000000 0.0000000 0.3134735), wk = 0.0033784 k( 139) = ( 0.0000000 0.0151515 0.3134735), wk = 0.0033784 k( 140) = ( 0.0000000 0.0303030 0.3134735), wk = 0.0033784 k( 141) = ( 0.0000000 0.0454546 0.3134735), wk = 0.0033784 k( 142) = ( 0.0000000 0.0606061 0.3134735), wk = 0.0033784 k( 143) = ( 0.0000000 0.0757576 0.3134735), wk = 0.0033784 k( 144) = ( 0.0000000 0.0909091 0.3134735), wk = 0.0033784 k( 145) = ( 0.0000000 0.1060606 0.3134735), wk = 0.0033784 k( 146) = ( 0.0000000 0.1212121 0.3134735), wk = 0.0033784 k( 147) = ( 0.0000000 0.1363636 0.3134735), wk = 0.0033784 k( 148) = ( 0.0000000 0.1515151 0.3134735), wk = 0.0033784 k( 149) = ( 0.0000000 0.1666667 0.3134735), wk = 0.0033784 k( 150) = ( 0.0000000 0.1818182 0.3134735), wk = 0.0033784 k( 151) = ( 0.0000000 0.1969697 0.3134735), wk = 0.0033784 k( 152) = ( 0.0000000 0.2121212 0.3134735), wk = 0.0033784 k( 153) = ( 0.0000000 0.2272727 0.3134735), wk = 0.0033784 k( 154) = ( 0.0000000 0.2424242 0.3134735), wk = 0.0033784 k( 155) = ( 0.0000000 0.2575758 0.3134735), wk = 0.0033784 k( 156) = ( 0.0000000 0.2727273 0.3134735), wk = 0.0033784 k( 157) = ( 0.0000000 0.2878788 0.3134735), wk = 0.0033784 k( 158) = ( 0.0000000 0.3030303 0.3134735), wk = 0.0033784 k( 159) = ( 0.0000000 0.3181818 0.3134735), wk = 0.0033784 k( 160) = ( 0.0000000 0.3333333 0.3134735), wk = 0.0033784 k( 161) = ( 0.0000000 0.3484849 0.3134735), wk = 0.0033784 k( 162) = ( 0.0000000 0.3636364 0.3134735), wk = 0.0033784 k( 163) = ( 0.0000000 0.3787879 0.3134735), wk = 0.0033784 k( 164) = ( 0.0000000 0.3939394 0.3134735), wk = 0.0033784 k( 165) = ( 0.0000000 0.4090909 0.3134735), wk = 0.0033784 k( 166) = ( 0.0000000 0.4242424 0.3134735), wk = 0.0033784 k( 167) = ( 0.0000000 0.4393939 0.3134735), wk = 0.0033784 k( 168) = ( 0.0000000 0.4545455 0.3134735), wk = 0.0033784 k( 169) = ( 0.0000000 0.4696970 0.3134735), wk = 0.0033784 k( 170) = ( 0.0000000 0.4848485 0.3134735), wk = 0.0033784 k( 171) = ( 0.0000000 0.5000000 0.3134735), wk = 0.0033784 k( 172) = ( 0.0000000 0.5000000 0.3134735), wk = 0.0033784 k( 173) = ( 0.0151515 0.5000000 0.3134735), wk = 0.0033784 k( 174) = ( 0.0303030 0.5000000 0.3134735), wk = 0.0033784 k( 175) = ( 0.0454546 0.5000000 0.3134735), wk = 0.0033784 k( 176) = ( 0.0606061 0.5000000 0.3134735), wk = 0.0033784 k( 177) = ( 0.0757576 0.5000000 0.3134735), wk = 0.0033784 k( 178) = ( 0.0909091 0.5000000 0.3134735), wk = 0.0033784 k( 179) = ( 0.1060606 0.5000000 0.3134735), wk = 0.0033784 k( 180) = ( 0.1212121 0.5000000 0.3134735), wk = 0.0033784 k( 181) = ( 0.1363636 0.5000000 0.3134735), wk = 0.0033784 k( 182) = ( 0.1515151 0.5000000 0.3134735), wk = 0.0033784 k( 183) = ( 0.1666667 0.5000000 0.3134735), wk = 0.0033784 k( 184) = ( 0.1818182 0.5000000 0.3134735), wk = 0.0033784 k( 185) = ( 0.1969697 0.5000000 0.3134735), wk = 0.0033784 k( 186) = ( 0.2121212 0.5000000 0.3134735), wk = 0.0033784 k( 187) = ( 0.2272727 0.5000000 0.3134735), wk = 0.0033784 k( 188) = ( 0.2424242 0.5000000 0.3134735), wk = 0.0033784 k( 189) = ( 0.2575758 0.5000000 0.3134735), wk = 0.0033784 k( 190) = ( 0.2727273 0.5000000 0.3134735), wk = 0.0033784 k( 191) = ( 0.2878788 0.5000000 0.3134735), wk = 0.0033784 k( 192) = ( 0.3030303 0.5000000 0.3134735), wk = 0.0033784 k( 193) = ( 0.3181818 0.5000000 0.3134735), wk = 0.0033784 k( 194) = ( 0.3333333 0.5000000 0.3134735), wk = 0.0033784 k( 195) = ( 0.3484849 0.5000000 0.3134735), wk = 0.0033784 k( 196) = ( 0.3636364 0.5000000 0.3134735), wk = 0.0033784 k( 197) = ( 0.3787879 0.5000000 0.3134735), wk = 0.0033784 k( 198) = ( 0.3939394 0.5000000 0.3134735), wk = 0.0033784 k( 199) = ( 0.4090909 0.5000000 0.3134735), wk = 0.0033784 k( 200) = ( 0.4242424 0.5000000 0.3134735), wk = 0.0033784 k( 201) = ( 0.4393939 0.5000000 0.3134735), wk = 0.0033784 k( 202) = ( 0.4545455 0.5000000 0.3134735), wk = 0.0033784 k( 203) = ( 0.4696970 0.5000000 0.3134735), wk = 0.0033784 k( 204) = ( 0.4848485 0.5000000 0.3134735), wk = 0.0033784 k( 205) = ( 0.5000000 0.5000000 0.3134735), wk = 0.0033784 k( 206) = ( 0.5000000 0.5000000 0.3134735), wk = 0.0033784 k( 207) = ( 0.4891304 0.4891304 0.3134735), wk = 0.0033784 k( 208) = ( 0.4782609 0.4782609 0.3134735), wk = 0.0033784 k( 209) = ( 0.4673913 0.4673913 0.3134735), wk = 0.0033784 k( 210) = ( 0.4565217 0.4565217 0.3134735), wk = 0.0033784 k( 211) = ( 0.4456522 0.4456522 0.3134735), wk = 0.0033784 k( 212) = ( 0.4347826 0.4347826 0.3134735), wk = 0.0033784 k( 213) = ( 0.4239130 0.4239130 0.3134735), wk = 0.0033784 k( 214) = ( 0.4130435 0.4130435 0.3134735), wk = 0.0033784 k( 215) = ( 0.4021739 0.4021739 0.3134735), wk = 0.0033784 k( 216) = ( 0.3913044 0.3913043 0.3134735), wk = 0.0033784 k( 217) = ( 0.3804348 0.3804348 0.3134735), wk = 0.0033784 k( 218) = ( 0.3695652 0.3695652 0.3134735), wk = 0.0033784 k( 219) = ( 0.3586956 0.3586956 0.3134735), wk = 0.0033784 k( 220) = ( 0.3478261 0.3478261 0.3134735), wk = 0.0033784 k( 221) = ( 0.3369565 0.3369565 0.3134735), wk = 0.0033784 k( 222) = ( 0.3260870 0.3260870 0.3134735), wk = 0.0033784 k( 223) = ( 0.3152174 0.3152174 0.3134735), wk = 0.0033784 k( 224) = ( 0.3043478 0.3043478 0.3134735), wk = 0.0033784 k( 225) = ( 0.2934783 0.2934783 0.3134735), wk = 0.0033784 k( 226) = ( 0.2826087 0.2826087 0.3134735), wk = 0.0033784 k( 227) = ( 0.2717391 0.2717391 0.3134735), wk = 0.0033784 k( 228) = ( 0.2608696 0.2608696 0.3134735), wk = 0.0033784 k( 229) = ( 0.2500000 0.2500000 0.3134735), wk = 0.0033784 k( 230) = ( 0.2391304 0.2391304 0.3134735), wk = 0.0033784 k( 231) = ( 0.2282609 0.2282609 0.3134735), wk = 0.0033784 k( 232) = ( 0.2173913 0.2173913 0.3134735), wk = 0.0033784 k( 233) = ( 0.2065217 0.2065217 0.3134735), wk = 0.0033784 k( 234) = ( 0.1956522 0.1956522 0.3134735), wk = 0.0033784 k( 235) = ( 0.1847826 0.1847826 0.3134735), wk = 0.0033784 k( 236) = ( 0.1739130 0.1739130 0.3134735), wk = 0.0033784 k( 237) = ( 0.1630435 0.1630435 0.3134735), wk = 0.0033784 k( 238) = ( 0.1521739 0.1521739 0.3134735), wk = 0.0033784 k( 239) = ( 0.1413043 0.1413043 0.3134735), wk = 0.0033784 k( 240) = ( 0.1304348 0.1304348 0.3134735), wk = 0.0033784 k( 241) = ( 0.1195652 0.1195652 0.3134735), wk = 0.0033784 k( 242) = ( 0.1086957 0.1086956 0.3134735), wk = 0.0033784 k( 243) = ( 0.0978261 0.0978261 0.3134735), wk = 0.0033784 k( 244) = ( 0.0869565 0.0869565 0.3134735), wk = 0.0033784 k( 245) = ( 0.0760870 0.0760870 0.3134735), wk = 0.0033784 k( 246) = ( 0.0652174 0.0652174 0.3134735), wk = 0.0033784 k( 247) = ( 0.0543478 0.0543478 0.3134735), wk = 0.0033784 k( 248) = ( 0.0434783 0.0434783 0.3134735), wk = 0.0033784 k( 249) = ( 0.0326087 0.0326087 0.3134735), wk = 0.0033784 k( 250) = ( 0.0217391 0.0217391 0.3134735), wk = 0.0033784 k( 251) = ( 0.0108696 0.0108696 0.3134735), wk = 0.0033784 k( 252) = ( 0.0000000 0.0000000 0.3134735), wk = 0.0033784 k( 253) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 254) = ( 0.0000000 0.5000000 0.0149273), wk = 0.0033784 k( 255) = ( 0.0000000 0.5000000 0.0298546), wk = 0.0033784 k( 256) = ( 0.0000000 0.5000000 0.0447819), wk = 0.0033784 k( 257) = ( 0.0000000 0.5000000 0.0597092), wk = 0.0033784 k( 258) = ( 0.0000000 0.5000000 0.0746366), wk = 0.0033784 k( 259) = ( 0.0000000 0.5000000 0.0895639), wk = 0.0033784 k( 260) = ( 0.0000000 0.5000000 0.1044912), wk = 0.0033784 k( 261) = ( 0.0000000 0.5000000 0.1194185), wk = 0.0033784 k( 262) = ( 0.0000000 0.5000000 0.1343458), wk = 0.0033784 k( 263) = ( 0.0000000 0.5000000 0.1492731), wk = 0.0033784 k( 264) = ( 0.0000000 0.5000000 0.1642004), wk = 0.0033784 k( 265) = ( 0.0000000 0.5000000 0.1791277), wk = 0.0033784 k( 266) = ( 0.0000000 0.5000000 0.1940550), wk = 0.0033784 k( 267) = ( 0.0000000 0.5000000 0.2089823), wk = 0.0033784 k( 268) = ( 0.0000000 0.5000000 0.2239097), wk = 0.0033784 k( 269) = ( 0.0000000 0.5000000 0.2388370), wk = 0.0033784 k( 270) = ( 0.0000000 0.5000000 0.2537643), wk = 0.0033784 k( 271) = ( 0.0000000 0.5000000 0.2686916), wk = 0.0033784 k( 272) = ( 0.0000000 0.5000000 0.2836189), wk = 0.0033784 k( 273) = ( 0.0000000 0.5000000 0.2985462), wk = 0.0033784 k( 274) = ( 0.0000000 0.5000000 0.3134735), wk = 0.0033784 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033784 k( 276) = ( 0.5000000 0.5000000 0.0149273), wk = 0.0033784 k( 277) = ( 0.5000000 0.5000000 0.0298546), wk = 0.0033784 k( 278) = ( 0.5000000 0.5000000 0.0447819), wk = 0.0033784 k( 279) = ( 0.5000000 0.5000000 0.0597092), wk = 0.0033784 k( 280) = ( 0.5000000 0.5000000 0.0746366), wk = 0.0033784 k( 281) = ( 0.5000000 0.5000000 0.0895639), wk = 0.0033784 k( 282) = ( 0.5000000 0.5000000 0.1044912), wk = 0.0033784 k( 283) = ( 0.5000000 0.5000000 0.1194185), wk = 0.0033784 k( 284) = ( 0.5000000 0.5000000 0.1343458), wk = 0.0033784 k( 285) = ( 0.5000000 0.5000000 0.1492731), wk = 0.0033784 k( 286) = ( 0.5000000 0.5000000 0.1642004), wk = 0.0033784 k( 287) = ( 0.5000000 0.5000000 0.1791277), wk = 0.0033784 k( 288) = ( 0.5000000 0.5000000 0.1940550), wk = 0.0033784 k( 289) = ( 0.5000000 0.5000000 0.2089823), wk = 0.0033784 k( 290) = ( 0.5000000 0.5000000 0.2239097), wk = 0.0033784 k( 291) = ( 0.5000000 0.5000000 0.2388370), wk = 0.0033784 k( 292) = ( 0.5000000 0.5000000 0.2537643), wk = 0.0033784 k( 293) = ( 0.5000000 0.5000000 0.2686916), wk = 0.0033784 k( 294) = ( 0.5000000 0.5000000 0.2836189), wk = 0.0033784 k( 295) = ( 0.5000000 0.5000000 0.2985462), wk = 0.0033784 k( 296) = ( 0.5000000 0.5000000 0.3134735), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0033784 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0033784 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0033784 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0033784 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033784 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0033784 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0033784 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0033784 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0033784 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0033784 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0033784 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0033784 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0033784 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0033784 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0033784 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033784 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0033784 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0033784 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0033784 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0033784 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0033784 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0033784 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0033784 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0033784 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0033784 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0033784 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0033784 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0033784 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0033784 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0033784 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0033784 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0033784 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0033784 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0033784 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0033784 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0033784 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033784 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0033784 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0033784 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0033784 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0033784 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0033784 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0033784 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0033784 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0033784 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0033784 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0033784 k( 57) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0033784 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0033784 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0033784 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0033784 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0033784 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0033784 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0033784 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0033784 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0033784 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0033784 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033784 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033784 k( 70) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0033784 k( 71) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0033784 k( 72) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0033784 k( 73) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0033784 k( 74) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0033784 k( 75) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0033784 k( 76) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0033784 k( 77) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0033784 k( 78) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0033784 k( 79) = ( 0.3913044 0.3913044 -0.0000000), wk = 0.0033784 k( 80) = ( 0.3804348 0.3804348 0.0000000), wk = 0.0033784 k( 81) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0033784 k( 82) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0033784 k( 83) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0033784 k( 84) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0033784 k( 85) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0033784 k( 86) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0033784 k( 87) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0033784 k( 88) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0033784 k( 89) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0033784 k( 90) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0033784 k( 91) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0033784 k( 92) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033784 k( 93) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0033784 k( 94) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0033784 k( 95) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0033784 k( 96) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0033784 k( 97) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0033784 k( 98) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0033784 k( 99) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0033784 k( 100) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0033784 k( 101) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0033784 k( 102) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0033784 k( 103) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0033784 k( 104) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0033784 k( 105) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0033784 k( 106) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0033784 k( 107) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0033784 k( 108) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0033784 k( 109) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0033784 k( 110) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0033784 k( 111) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0033784 k( 112) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0033784 k( 113) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0033784 k( 114) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 139) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0033784 k( 140) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0033784 k( 141) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0033784 k( 142) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0033784 k( 143) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0033784 k( 144) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0033784 k( 145) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0033784 k( 146) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0033784 k( 147) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0033784 k( 148) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0033784 k( 149) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0033784 k( 150) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0033784 k( 151) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0033784 k( 152) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0033784 k( 153) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0033784 k( 154) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0033784 k( 155) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0033784 k( 156) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0033784 k( 157) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0033784 k( 158) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0033784 k( 159) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0033784 k( 160) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0033784 k( 161) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0033784 k( 162) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0033784 k( 163) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0033784 k( 164) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0033784 k( 165) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0033784 k( 166) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0033784 k( 167) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0033784 k( 168) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0033784 k( 169) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0033784 k( 170) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0033784 k( 171) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033784 k( 172) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033784 k( 173) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0033784 k( 174) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0033784 k( 175) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0033784 k( 176) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0033784 k( 177) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0033784 k( 178) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0033784 k( 179) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0033784 k( 180) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0033784 k( 181) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0033784 k( 182) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0033784 k( 183) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0033784 k( 184) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0033784 k( 185) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0033784 k( 186) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0033784 k( 187) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0033784 k( 188) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0033784 k( 189) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0033784 k( 190) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0033784 k( 191) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0033784 k( 192) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0033784 k( 193) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0033784 k( 194) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0033784 k( 195) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0033784 k( 196) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0033784 k( 197) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0033784 k( 198) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0033784 k( 199) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0033784 k( 200) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0033784 k( 201) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0033784 k( 202) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0033784 k( 203) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0033784 k( 204) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0033784 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 207) = ( 0.4891304 0.4891304 0.5000000), wk = 0.0033784 k( 208) = ( 0.4782609 0.4782609 0.5000000), wk = 0.0033784 k( 209) = ( 0.4673913 0.4673913 0.5000000), wk = 0.0033784 k( 210) = ( 0.4565217 0.4565217 0.5000000), wk = 0.0033784 k( 211) = ( 0.4456522 0.4456522 0.5000000), wk = 0.0033784 k( 212) = ( 0.4347826 0.4347826 0.5000000), wk = 0.0033784 k( 213) = ( 0.4239130 0.4239130 0.5000000), wk = 0.0033784 k( 214) = ( 0.4130435 0.4130435 0.5000000), wk = 0.0033784 k( 215) = ( 0.4021739 0.4021739 0.5000000), wk = 0.0033784 k( 216) = ( 0.3913044 0.3913044 0.5000000), wk = 0.0033784 k( 217) = ( 0.3804348 0.3804348 0.5000000), wk = 0.0033784 k( 218) = ( 0.3695652 0.3695652 0.5000000), wk = 0.0033784 k( 219) = ( 0.3586956 0.3586956 0.5000000), wk = 0.0033784 k( 220) = ( 0.3478261 0.3478261 0.5000000), wk = 0.0033784 k( 221) = ( 0.3369565 0.3369565 0.5000000), wk = 0.0033784 k( 222) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0033784 k( 223) = ( 0.3152174 0.3152174 0.5000000), wk = 0.0033784 k( 224) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0033784 k( 225) = ( 0.2934783 0.2934783 0.5000000), wk = 0.0033784 k( 226) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0033784 k( 227) = ( 0.2717391 0.2717391 0.5000000), wk = 0.0033784 k( 228) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0033784 k( 229) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033784 k( 230) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0033784 k( 231) = ( 0.2282609 0.2282609 0.5000000), wk = 0.0033784 k( 232) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0033784 k( 233) = ( 0.2065217 0.2065217 0.5000000), wk = 0.0033784 k( 234) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0033784 k( 235) = ( 0.1847826 0.1847826 0.5000000), wk = 0.0033784 k( 236) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0033784 k( 237) = ( 0.1630435 0.1630435 0.5000000), wk = 0.0033784 k( 238) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0033784 k( 239) = ( 0.1413043 0.1413043 0.5000000), wk = 0.0033784 k( 240) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0033784 k( 241) = ( 0.1195652 0.1195652 0.5000000), wk = 0.0033784 k( 242) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0033784 k( 243) = ( 0.0978261 0.0978261 0.5000000), wk = 0.0033784 k( 244) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0033784 k( 245) = ( 0.0760870 0.0760870 0.5000000), wk = 0.0033784 k( 246) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0033784 k( 247) = ( 0.0543478 0.0543478 0.5000000), wk = 0.0033784 k( 248) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0033784 k( 249) = ( 0.0326087 0.0326087 0.5000000), wk = 0.0033784 k( 250) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0033784 k( 251) = ( 0.0108696 0.0108696 0.5000000), wk = 0.0033784 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 253) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 254) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0033784 k( 255) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0033784 k( 256) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0033784 k( 257) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0033784 k( 258) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0033784 k( 259) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0033784 k( 260) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0033784 k( 261) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0033784 k( 262) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0033784 k( 263) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0033784 k( 264) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0033784 k( 265) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0033784 k( 266) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0033784 k( 267) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0033784 k( 268) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0033784 k( 269) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0033784 k( 270) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0033784 k( 271) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0033784 k( 272) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0033784 k( 273) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0033784 k( 274) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033784 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033784 k( 276) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0033784 k( 277) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0033784 k( 278) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0033784 k( 279) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0033784 k( 280) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0033784 k( 281) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0033784 k( 282) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0033784 k( 283) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0033784 k( 284) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0033784 k( 285) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0033784 k( 286) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0033784 k( 287) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0033784 k( 288) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0033784 k( 289) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0033784 k( 290) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0033784 k( 291) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0033784 k( 292) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0033784 k( 293) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0033784 k( 294) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0033784 k( 295) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0033784 k( 296) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 Dense grid: 171251 G-vectors FFT dimensions: ( 60, 60, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.80 Mb ( 1192, 44) NL pseudopotentials 1.49 Mb ( 596, 164) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.04 Mb ( 4758) G-vector shells 0.02 Mb ( 2298) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.20 Mb ( 1192, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.22 Mb ( 164, 2, 44) The potential is recalculated from file : ./KLiTe.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 12.0 secs Computing kpt #: 9 total cpu time spent up to now is 13.2 secs Computing kpt #: 10 total cpu time spent up to now is 14.4 secs Computing kpt #: 11 total cpu time spent up to now is 15.6 secs Computing kpt #: 12 total cpu time spent up to now is 16.8 secs Computing kpt #: 13 total cpu time spent up to now is 18.0 secs Computing kpt #: 14 total cpu time spent up to now is 19.2 secs Computing kpt #: 15 total cpu time spent up to now is 20.5 secs Computing kpt #: 16 total cpu time spent up to now is 21.7 secs Computing kpt #: 17 total cpu time spent up to now is 23.3 secs Computing kpt #: 18 total cpu time spent up to now is 25.0 secs Computing kpt #: 19 total cpu time spent up to now is 27.0 secs Computing kpt #: 20 total cpu time spent up to now is 28.9 secs Computing kpt #: 21 total cpu time spent up to now is 30.6 secs Computing kpt #: 22 total cpu time spent up to now is 32.2 secs Computing kpt #: 23 total cpu time spent up to now is 33.6 secs Computing kpt #: 24 total cpu time spent up to now is 35.0 secs Computing kpt #: 25 total cpu time spent up to now is 36.3 secs Computing kpt #: 26 total cpu time spent up to now is 37.6 secs Computing kpt #: 27 total cpu time spent up to now is 38.9 secs Computing kpt #: 28 total cpu time spent up to now is 40.1 secs Computing kpt #: 29 total cpu time spent up to now is 41.4 secs Computing kpt #: 30 total cpu time spent up to now is 42.6 secs Computing kpt #: 31 total cpu time spent up to now is 43.9 secs Computing kpt #: 32 total cpu time spent up to now is 45.1 secs Computing kpt #: 33 total cpu time spent up to now is 46.3 secs Computing kpt #: 34 total cpu time spent up to now is 47.5 secs Computing kpt #: 35 total cpu time spent up to now is 48.8 secs Computing kpt #: 36 total cpu time spent up to now is 50.0 secs Computing kpt #: 37 total cpu time spent up to now is 51.2 secs Computing kpt #: 38 total cpu time spent up to now is 52.4 secs Computing kpt #: 39 total cpu time spent up to now is 53.5 secs Computing kpt #: 40 total cpu time spent up to now is 54.7 secs Computing kpt #: 41 total cpu time spent up to now is 55.9 secs Computing kpt #: 42 total cpu time spent up to now is 57.1 secs Computing kpt #: 43 total cpu time spent up to now is 58.3 secs Computing kpt #: 44 total cpu time spent up to now is 59.5 secs Computing kpt #: 45 total cpu time spent up to now is 60.7 secs Computing kpt #: 46 total cpu time spent up to now is 61.7 secs Computing kpt #: 47 total cpu time spent up to now is 62.8 secs Computing kpt #: 48 total cpu time spent up to now is 63.9 secs Computing kpt #: 49 total cpu time spent up to now is 64.9 secs Computing kpt #: 50 total cpu time spent up to now is 66.0 secs Computing kpt #: 51 total cpu time spent up to now is 67.0 secs Computing kpt #: 52 total cpu time spent up to now is 68.0 secs Computing kpt #: 53 total cpu time spent up to now is 68.9 secs Computing kpt #: 54 total cpu time spent up to now is 69.9 secs Computing kpt #: 55 total cpu time spent up to now is 70.9 secs Computing kpt #: 56 total cpu time spent up to now is 71.8 secs Computing kpt #: 57 total cpu time spent up to now is 72.8 secs Computing kpt #: 58 total cpu time spent up to now is 73.7 secs Computing kpt #: 59 total cpu time spent up to now is 74.6 secs Computing kpt #: 60 total cpu time spent up to now is 75.6 secs Computing kpt #: 61 total cpu time spent up to now is 76.5 secs Computing kpt #: 62 total cpu time spent up to now is 77.4 secs Computing kpt #: 63 total cpu time spent up to now is 78.3 secs Computing kpt #: 64 total cpu time spent up to now is 79.2 secs Computing kpt #: 65 total cpu time spent up to now is 80.1 secs Computing kpt #: 66 total cpu time spent up to now is 81.0 secs Computing kpt #: 67 total cpu time spent up to now is 81.9 secs Computing kpt #: 68 total cpu time spent up to now is 82.8 secs Computing kpt #: 69 total cpu time spent up to now is 83.7 secs Computing kpt #: 70 total cpu time spent up to now is 84.6 secs Computing kpt #: 71 total cpu time spent up to now is 85.6 secs Computing kpt #: 72 total cpu time spent up to now is 86.5 secs Computing kpt #: 73 total cpu time spent up to now is 87.4 secs Computing kpt #: 74 total cpu time spent up to now is 88.3 secs Computing kpt #: 75 total cpu time spent up to now is 89.2 secs Computing kpt #: 76 total cpu time spent up to now is 90.1 secs Computing kpt #: 77 total cpu time spent up to now is 91.1 secs Computing kpt #: 78 total cpu time spent up to now is 92.0 secs Computing kpt #: 79 total cpu time spent up to now is 92.9 secs Computing kpt #: 80 total cpu time spent up to now is 93.8 secs Computing kpt #: 81 total cpu time spent up to now is 95.1 secs Computing kpt #: 82 total cpu time spent up to now is 96.3 secs Computing kpt #: 83 total cpu time spent up to now is 97.2 secs Computing kpt #: 84 total cpu time spent up to now is 98.2 secs Computing kpt #: 85 total cpu time spent up to now is 99.2 secs Computing kpt #: 86 total cpu time spent up to now is 100.2 secs Computing kpt #: 87 total cpu time spent up to now is 101.2 secs Computing kpt #: 88 total cpu time spent up to now is 102.2 secs Computing kpt #: 89 total cpu time spent up to now is 103.2 secs Computing kpt #: 90 total cpu time spent up to now is 104.3 secs Computing kpt #: 91 total cpu time spent up to now is 105.6 secs Computing kpt #: 92 total cpu time spent up to now is 106.8 secs Computing kpt #: 93 total cpu time spent up to now is 108.1 secs Computing kpt #: 94 total cpu time spent up to now is 109.4 secs Computing kpt #: 95 total cpu time spent up to now is 110.6 secs Computing kpt #: 96 total cpu time spent up to now is 111.9 secs Computing kpt #: 97 total cpu time spent up to now is 113.2 secs Computing kpt #: 98 total cpu time spent up to now is 114.5 secs Computing kpt #: 99 total cpu time spent up to now is 115.9 secs Computing kpt #: 100 total cpu time spent up to now is 117.2 secs Computing kpt #: 101 total cpu time spent up to now is 118.6 secs Computing kpt #: 102 total cpu time spent up to now is 120.2 secs Computing kpt #: 103 total cpu time spent up to now is 121.5 secs Computing kpt #: 104 total cpu time spent up to now is 122.7 secs Computing kpt #: 105 total cpu time spent up to now is 124.0 secs Computing kpt #: 106 total cpu time spent up to now is 125.2 secs Computing kpt #: 107 total cpu time spent up to now is 126.4 secs Computing kpt #: 108 total cpu time spent up to now is 127.6 secs Computing kpt #: 109 total cpu time spent up to now is 128.8 secs Computing kpt #: 110 total cpu time spent up to now is 130.0 secs Computing kpt #: 111 total cpu time spent up to now is 131.2 secs Computing kpt #: 112 total cpu time spent up to now is 132.3 secs Computing kpt #: 113 total cpu time spent up to now is 133.5 secs Computing kpt #: 114 total cpu time spent up to now is 134.7 secs Computing kpt #: 115 total cpu time spent up to now is 135.9 secs Computing kpt #: 116 total cpu time spent up to now is 137.0 secs Computing kpt #: 117 total cpu time spent up to now is 138.2 secs Computing kpt #: 118 total cpu time spent up to now is 139.4 secs Computing kpt #: 119 total cpu time spent up to now is 140.5 secs Computing kpt #: 120 total cpu time spent up to now is 141.7 secs Computing kpt #: 121 total cpu time spent up to now is 142.9 secs Computing kpt #: 122 total cpu time spent up to now is 144.1 secs Computing kpt #: 123 total cpu time spent up to now is 145.3 secs Computing kpt #: 124 total cpu time spent up to now is 146.4 secs Computing kpt #: 125 total cpu time spent up to now is 147.6 secs Computing kpt #: 126 total cpu time spent up to now is 148.7 secs Computing kpt #: 127 total cpu time spent up to now is 149.9 secs Computing kpt #: 128 total cpu time spent up to now is 151.0 secs Computing kpt #: 129 total cpu time spent up to now is 152.2 secs Computing kpt #: 130 total cpu time spent up to now is 153.3 secs Computing kpt #: 131 total cpu time spent up to now is 154.5 secs Computing kpt #: 132 total cpu time spent up to now is 155.7 secs Computing kpt #: 133 total cpu time spent up to now is 156.8 secs Computing kpt #: 134 total cpu time spent up to now is 158.0 secs Computing kpt #: 135 total cpu time spent up to now is 159.2 secs Computing kpt #: 136 total cpu time spent up to now is 160.4 secs Computing kpt #: 137 total cpu time spent up to now is 161.6 secs Computing kpt #: 138 total cpu time spent up to now is 162.7 secs Computing kpt #: 139 total cpu time spent up to now is 163.9 secs Computing kpt #: 140 total cpu time spent up to now is 165.0 secs Computing kpt #: 141 total cpu time spent up to now is 166.2 secs Computing kpt #: 142 total cpu time spent up to now is 167.5 secs Computing kpt #: 143 total cpu time spent up to now is 168.9 secs Computing kpt #: 144 total cpu time spent up to now is 170.3 secs Computing kpt #: 145 total cpu time spent up to now is 171.6 secs Computing kpt #: 146 total cpu time spent up to now is 172.8 secs Computing kpt #: 147 total cpu time spent up to now is 174.1 secs Computing kpt #: 148 total cpu time spent up to now is 175.3 secs Computing kpt #: 149 total cpu time spent up to now is 176.5 secs Computing kpt #: 150 total cpu time spent up to now is 177.7 secs Computing kpt #: 151 total cpu time spent up to now is 179.0 secs Computing kpt #: 152 total cpu time spent up to now is 180.3 secs Computing kpt #: 153 total cpu time spent up to now is 181.6 secs Computing kpt #: 154 total cpu time spent up to now is 183.0 secs Computing kpt #: 155 total cpu time spent up to now is 184.4 secs Computing kpt #: 156 total cpu time spent up to now is 185.7 secs Computing kpt #: 157 total cpu time spent up to now is 187.1 secs Computing kpt #: 158 total cpu time spent up to now is 188.4 secs Computing kpt #: 159 total cpu time spent up to now is 189.6 secs Computing kpt #: 160 total cpu time spent up to now is 190.9 secs Computing kpt #: 161 total cpu time spent up to now is 192.2 secs Computing kpt #: 162 total cpu time spent up to now is 193.4 secs Computing kpt #: 163 total cpu time spent up to now is 194.6 secs Computing kpt #: 164 total cpu time spent up to now is 195.8 secs Computing kpt #: 165 total cpu time spent up to now is 197.1 secs Computing kpt #: 166 total cpu time spent up to now is 198.1 secs Computing kpt #: 167 total cpu time spent up to now is 199.3 secs Computing kpt #: 168 total cpu time spent up to now is 200.3 secs Computing kpt #: 169 total cpu time spent up to now is 201.4 secs Computing kpt #: 170 total cpu time spent up to now is 202.4 secs Computing kpt #: 171 total cpu time spent up to now is 203.5 secs Computing kpt #: 172 total cpu time spent up to now is 204.5 secs Computing kpt #: 173 total cpu time spent up to now is 205.6 secs Computing kpt #: 174 total cpu time spent up to now is 206.6 secs Computing kpt #: 175 total cpu time spent up to now is 207.6 secs Computing kpt #: 176 total cpu time spent up to now is 208.9 secs Computing kpt #: 177 total cpu time spent up to now is 210.1 secs Computing kpt #: 178 total cpu time spent up to now is 211.3 secs Computing kpt #: 179 total cpu time spent up to now is 212.5 secs Computing kpt #: 180 total cpu time spent up to now is 213.8 secs Computing kpt #: 181 total cpu time spent up to now is 215.1 secs Computing kpt #: 182 total cpu time spent up to now is 216.3 secs Computing kpt #: 183 total cpu time spent up to now is 217.7 secs Computing kpt #: 184 total cpu time spent up to now is 219.0 secs Computing kpt #: 185 total cpu time spent up to now is 220.3 secs Computing kpt #: 186 total cpu time spent up to now is 221.5 secs Computing kpt #: 187 total cpu time spent up to now is 222.7 secs Computing kpt #: 188 total cpu time spent up to now is 223.9 secs Computing kpt #: 189 total cpu time spent up to now is 224.9 secs Computing kpt #: 190 total cpu time spent up to now is 225.9 secs Computing kpt #: 191 total cpu time spent up to now is 227.0 secs Computing kpt #: 192 total cpu time spent up to now is 228.0 secs Computing kpt #: 193 total cpu time spent up to now is 229.0 secs Computing kpt #: 194 total cpu time spent up to now is 230.0 secs Computing kpt #: 195 total cpu time spent up to now is 231.1 secs Computing kpt #: 196 total cpu time spent up to now is 232.1 secs Computing kpt #: 197 total cpu time spent up to now is 233.1 secs Computing kpt #: 198 total cpu time spent up to now is 234.1 secs Computing kpt #: 199 total cpu time spent up to now is 235.1 secs Computing kpt #: 200 total cpu time spent up to now is 236.1 secs Computing kpt #: 201 total cpu time spent up to now is 237.1 secs Computing kpt #: 202 total cpu time spent up to now is 238.1 secs Computing kpt #: 203 total cpu time spent up to now is 239.1 secs Computing kpt #: 204 total cpu time spent up to now is 240.1 secs Computing kpt #: 205 total cpu time spent up to now is 241.1 secs Computing kpt #: 206 total cpu time spent up to now is 242.1 secs Computing kpt #: 207 total cpu time spent up to now is 243.1 secs Computing kpt #: 208 total cpu time spent up to now is 244.1 secs Computing kpt #: 209 total cpu time spent up to now is 245.1 secs Computing kpt #: 210 total cpu time spent up to now is 246.1 secs Computing kpt #: 211 total cpu time spent up to now is 247.1 secs Computing kpt #: 212 total cpu time spent up to now is 248.1 secs Computing kpt #: 213 total cpu time spent up to now is 249.1 secs Computing kpt #: 214 total cpu time spent up to now is 250.2 secs Computing kpt #: 215 total cpu time spent up to now is 251.2 secs Computing kpt #: 216 total cpu time spent up to now is 252.3 secs Computing kpt #: 217 total cpu time spent up to now is 253.3 secs Computing kpt #: 218 total cpu time spent up to now is 254.4 secs Computing kpt #: 219 total cpu time spent up to now is 255.4 secs Computing kpt #: 220 total cpu time spent up to now is 256.5 secs Computing kpt #: 221 total cpu time spent up to now is 257.7 secs Computing kpt #: 222 total cpu time spent up to now is 258.9 secs Computing kpt #: 223 total cpu time spent up to now is 260.3 secs Computing kpt #: 224 total cpu time spent up to now is 261.7 secs Computing kpt #: 225 total cpu time spent up to now is 263.1 secs Computing kpt #: 226 total cpu time spent up to now is 264.4 secs Computing kpt #: 227 total cpu time spent up to now is 265.8 secs Computing kpt #: 228 total cpu time spent up to now is 267.1 secs Computing kpt #: 229 total cpu time spent up to now is 268.4 secs Computing kpt #: 230 total cpu time spent up to now is 269.8 secs Computing kpt #: 231 total cpu time spent up to now is 271.1 secs Computing kpt #: 232 total cpu time spent up to now is 272.4 secs Computing kpt #: 233 total cpu time spent up to now is 273.8 secs Computing kpt #: 234 total cpu time spent up to now is 275.1 secs Computing kpt #: 235 total cpu time spent up to now is 276.4 secs Computing kpt #: 236 total cpu time spent up to now is 277.7 secs Computing kpt #: 237 total cpu time spent up to now is 279.0 secs Computing kpt #: 238 total cpu time spent up to now is 280.2 secs Computing kpt #: 239 total cpu time spent up to now is 281.5 secs Computing kpt #: 240 total cpu time spent up to now is 282.8 secs Computing kpt #: 241 total cpu time spent up to now is 284.0 secs Computing kpt #: 242 total cpu time spent up to now is 285.3 secs Computing kpt #: 243 total cpu time spent up to now is 286.5 secs Computing kpt #: 244 total cpu time spent up to now is 287.7 secs Computing kpt #: 245 total cpu time spent up to now is 289.0 secs Computing kpt #: 246 total cpu time spent up to now is 290.4 secs Computing kpt #: 247 total cpu time spent up to now is 291.7 secs Computing kpt #: 248 total cpu time spent up to now is 292.9 secs Computing kpt #: 249 total cpu time spent up to now is 294.0 secs Computing kpt #: 250 total cpu time spent up to now is 295.1 secs Computing kpt #: 251 total cpu time spent up to now is 296.3 secs Computing kpt #: 252 total cpu time spent up to now is 297.5 secs Computing kpt #: 253 total cpu time spent up to now is 298.7 secs Computing kpt #: 254 total cpu time spent up to now is 300.0 secs Computing kpt #: 255 total cpu time spent up to now is 301.2 secs Computing kpt #: 256 total cpu time spent up to now is 302.5 secs Computing kpt #: 257 total cpu time spent up to now is 303.7 secs Computing kpt #: 258 total cpu time spent up to now is 305.0 secs Computing kpt #: 259 total cpu time spent up to now is 306.3 secs Computing kpt #: 260 total cpu time spent up to now is 307.6 secs Computing kpt #: 261 total cpu time spent up to now is 308.8 secs Computing kpt #: 262 total cpu time spent up to now is 310.1 secs Computing kpt #: 263 total cpu time spent up to now is 311.3 secs Computing kpt #: 264 total cpu time spent up to now is 312.5 secs Computing kpt #: 265 total cpu time spent up to now is 313.8 secs Computing kpt #: 266 total cpu time spent up to now is 315.0 secs Computing kpt #: 267 total cpu time spent up to now is 316.2 secs Computing kpt #: 268 total cpu time spent up to now is 317.4 secs Computing kpt #: 269 total cpu time spent up to now is 318.6 secs Computing kpt #: 270 total cpu time spent up to now is 319.8 secs Computing kpt #: 271 total cpu time spent up to now is 320.8 secs Computing kpt #: 272 total cpu time spent up to now is 321.9 secs Computing kpt #: 273 total cpu time spent up to now is 322.9 secs Computing kpt #: 274 total cpu time spent up to now is 324.0 secs Computing kpt #: 275 total cpu time spent up to now is 324.9 secs Computing kpt #: 276 total cpu time spent up to now is 325.8 secs Computing kpt #: 277 total cpu time spent up to now is 326.7 secs Computing kpt #: 278 total cpu time spent up to now is 327.6 secs Computing kpt #: 279 total cpu time spent up to now is 328.5 secs Computing kpt #: 280 total cpu time spent up to now is 329.4 secs Computing kpt #: 281 total cpu time spent up to now is 330.3 secs Computing kpt #: 282 total cpu time spent up to now is 331.2 secs Computing kpt #: 283 total cpu time spent up to now is 332.2 secs Computing kpt #: 284 total cpu time spent up to now is 333.1 secs Computing kpt #: 285 total cpu time spent up to now is 334.1 secs Computing kpt #: 286 total cpu time spent up to now is 335.0 secs Computing kpt #: 287 total cpu time spent up to now is 335.9 secs Computing kpt #: 288 total cpu time spent up to now is 336.9 secs Computing kpt #: 289 total cpu time spent up to now is 337.9 secs Computing kpt #: 290 total cpu time spent up to now is 338.8 secs Computing kpt #: 291 total cpu time spent up to now is 339.8 secs Computing kpt #: 292 total cpu time spent up to now is 340.8 secs Computing kpt #: 293 total cpu time spent up to now is 341.8 secs Computing kpt #: 294 total cpu time spent up to now is 342.8 secs Computing kpt #: 295 total cpu time spent up to now is 343.8 secs Computing kpt #: 296 total cpu time spent up to now is 344.8 secs ethr = 2.78E-08, avg # of iterations = 23.0 total cpu time spent up to now is 344.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 21415 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3381 -10.3381 -10.2895 -10.2895 -10.0857 -10.0857 -10.0617 -10.0617 -10.0353 -10.0353 -10.0087 -10.0087 -6.3158 -6.3158 -5.9279 -5.9279 1.3075 1.3075 2.0810 2.0810 2.4002 2.4002 2.5583 2.5583 3.2759 3.2759 3.4314 3.4314 5.6643 5.6643 6.3540 6.3540 6.4939 6.4939 7.2763 7.2763 k = 0.0000 0.0152-0.0000 ( 21419 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3381 -10.3381 -10.2896 -10.2896 -10.0857 -10.0857 -10.0619 -10.0619 -10.0352 -10.0352 -10.0088 -10.0088 -6.3153 -6.3153 -5.9278 -5.9278 1.3080 1.3080 2.0790 2.0790 2.3959 2.3959 2.5601 2.5601 3.2750 3.2750 3.4275 3.4275 5.6703 5.6703 6.3567 6.3567 6.4968 6.4968 7.2803 7.2803 k = 0.0000 0.0303-0.0000 ( 21425 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3381 -10.3381 -10.2898 -10.2898 -10.0856 -10.0856 -10.0622 -10.0622 -10.0351 -10.0351 -10.0090 -10.0090 -6.3137 -6.3137 -5.9274 -5.9274 1.3096 1.3096 2.0729 2.0729 2.3843 2.3843 2.5642 2.5642 3.2719 3.2719 3.4164 3.4164 5.6879 5.6879 6.3647 6.3647 6.5055 6.5055 7.2922 7.2922 k = 0.0000 0.0455-0.0000 ( 21415 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3381 -10.3381 -10.2901 -10.2901 -10.0856 -10.0856 -10.0626 -10.0626 -10.0349 -10.0349 -10.0094 -10.0094 -6.3111 -6.3111 -5.9267 -5.9267 1.3122 1.3122 2.0620 2.0620 2.3685 2.3685 2.5680 2.5680 3.2656 3.2656 3.3999 3.3999 5.7164 5.7164 6.3774 6.3774 6.5204 6.5204 7.3119 7.3119 k = 0.0000 0.0606-0.0000 ( 21421 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6264 -26.6264 -26.6159 -26.6159 -10.3382 -10.3382 -10.2906 -10.2906 -10.0855 -10.0855 -10.0633 -10.0633 -10.0346 -10.0346 -10.0099 -10.0099 -6.3074 -6.3074 -5.9258 -5.9258 1.3156 1.3156 2.0458 2.0458 2.3520 2.3520 2.5691 2.5691 3.2544 3.2544 3.3809 3.3809 5.7546 5.7546 6.3940 6.3940 6.5418 6.5418 7.3392 7.3392 k = 0.0000 0.0758-0.0000 ( 21433 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6263 -26.6263 -26.6159 -26.6159 -10.3383 -10.3383 -10.2911 -10.2911 -10.0854 -10.0854 -10.0640 -10.0640 -10.0342 -10.0342 -10.0106 -10.0106 -6.3028 -6.3028 -5.9247 -5.9247 1.3199 1.3199 2.0238 2.0238 2.3371 2.3371 2.5656 2.5656 3.2363 3.2363 3.3631 3.3631 5.8011 5.8011 6.4136 6.4136 6.5700 6.5700 7.3737 7.3737 k = 0.0000 0.0909-0.0000 ( 21445 PWs) bands (ev): -42.1117 -42.1117 -42.1084 -42.1084 -26.6262 -26.6262 -26.6159 -26.6159 -10.3384 -10.3384 -10.2919 -10.2919 -10.0853 -10.0853 -10.0649 -10.0649 -10.0339 -10.0339 -10.0113 -10.0113 -6.2971 -6.2971 -5.9234 -5.9234 1.3249 1.3249 1.9959 1.9959 2.3254 2.3254 2.5564 2.5564 3.2104 3.2104 3.3488 3.3488 5.8543 5.8543 6.4355 6.4355 6.6049 6.6049 7.4150 7.4150 k = 0.0000 0.1061-0.0000 ( 21433 PWs) bands (ev): -42.1117 -42.1117 -42.1084 -42.1084 -26.6261 -26.6261 -26.6160 -26.6160 -10.3385 -10.3385 -10.2927 -10.2927 -10.0852 -10.0852 -10.0658 -10.0658 -10.0336 -10.0336 -10.0121 -10.0121 -6.2905 -6.2905 -5.9218 -5.9218 1.3303 1.3303 1.9628 1.9628 2.3177 2.3177 2.5406 2.5406 3.1784 3.1784 3.3381 3.3381 5.9129 5.9129 6.4592 6.4592 6.6460 6.6460 7.4623 7.4623 k = 0.0000 0.1212-0.0000 ( 21433 PWs) bands (ev): -42.1117 -42.1117 -42.1084 -42.1084 -26.6260 -26.6260 -26.6160 -26.6160 -10.3386 -10.3386 -10.2936 -10.2936 -10.0852 -10.0852 -10.0668 -10.0668 -10.0334 -10.0334 -10.0130 -10.0130 -6.2830 -6.2830 -5.9202 -5.9202 1.3358 1.3358 1.9255 1.9255 2.3138 2.3138 2.5179 2.5179 3.1430 3.1430 3.3295 3.3295 5.9755 5.9755 6.4846 6.4846 6.6922 6.6922 7.5145 7.5145 k = 0.0000 0.1364-0.0000 ( 21427 PWs) bands (ev): -42.1116 -42.1116 -42.1084 -42.1084 -26.6259 -26.6259 -26.6161 -26.6161 -10.3387 -10.3387 -10.2947 -10.2947 -10.0851 -10.0851 -10.0677 -10.0677 -10.0332 -10.0332 -10.0140 -10.0140 -6.2745 -6.2745 -5.9184 -5.9184 1.3411 1.3411 1.8855 1.8855 2.3132 2.3132 2.4883 2.4883 3.1065 3.1065 3.3216 3.3216 6.0411 6.0411 6.5116 6.5116 6.7421 6.7421 7.5703 7.5703 k = 0.0000 0.1515-0.0000 ( 21421 PWs) bands (ev): -42.1116 -42.1116 -42.1085 -42.1085 -26.6257 -26.6257 -26.6162 -26.6162 -10.3388 -10.3388 -10.2959 -10.2959 -10.0852 -10.0852 -10.0686 -10.0686 -10.0331 -10.0331 -10.0149 -10.0149 -6.2653 -6.2653 -5.9166 -5.9166 1.3458 1.3458 1.8442 1.8442 2.3152 2.3152 2.4525 2.4525 3.0708 3.0708 3.3134 3.3134 6.1087 6.1087 6.5402 6.5402 6.7943 6.7943 7.6280 7.6280 k = 0.0000 0.1667-0.0000 ( 21439 PWs) bands (ev): -42.1115 -42.1115 -42.1085 -42.1085 -26.6255 -26.6255 -26.6163 -26.6163 -10.3390 -10.3390 -10.2972 -10.2972 -10.0853 -10.0853 -10.0694 -10.0694 -10.0331 -10.0331 -10.0158 -10.0158 -6.2553 -6.2553 -5.9148 -5.9148 1.3491 1.3491 1.8029 1.8029 2.3186 2.3186 2.4121 2.4121 3.0365 3.0365 3.3044 3.3044 6.1778 6.1778 6.5707 6.5707 6.8469 6.8469 7.6856 7.6856 k = 0.0000 0.1818-0.0000 ( 21441 PWs) bands (ev): -42.1115 -42.1115 -42.1086 -42.1086 -26.6254 -26.6254 -26.6163 -26.6163 -10.3391 -10.3391 -10.2985 -10.2985 -10.0855 -10.0855 -10.0702 -10.0702 -10.0333 -10.0333 -10.0167 -10.0167 -6.2445 -6.2445 -5.9130 -5.9130 1.3503 1.3503 1.7631 1.7631 2.3198 2.3198 2.3718 2.3718 3.0041 3.0041 3.2939 3.2939 6.2480 6.2480 6.6028 6.6028 6.8984 6.8984 7.7406 7.7406 k = 0.0000 0.1970-0.0000 ( 21453 PWs) bands (ev): -42.1115 -42.1115 -42.1086 -42.1086 -26.6252 -26.6252 -26.6164 -26.6164 -10.3393 -10.3393 -10.3000 -10.3000 -10.0857 -10.0857 -10.0709 -10.0709 -10.0336 -10.0336 -10.0175 -10.0175 -6.2331 -6.2331 -5.9113 -5.9113 1.3485 1.3485 1.7258 1.7258 2.2996 2.2996 2.3520 2.3520 2.9734 2.9734 3.2817 3.2817 6.3188 6.3188 6.6367 6.6367 6.9474 6.9474 7.7904 7.7904 k = 0.0000 0.2121-0.0000 ( 21455 PWs) bands (ev): -42.1114 -42.1114 -42.1087 -42.1087 -26.6250 -26.6250 -26.6165 -26.6165 -10.3394 -10.3394 -10.3015 -10.3015 -10.0861 -10.0861 -10.0715 -10.0715 -10.0339 -10.0339 -10.0182 -10.0182 -6.2211 -6.2211 -5.9097 -5.9097 1.3428 1.3428 1.6921 1.6921 2.2558 2.2558 2.3564 2.3564 2.9440 2.9440 3.2678 3.2678 6.3902 6.3902 6.6721 6.6721 6.9928 6.9928 7.8327 7.8327 k = 0.0000 0.2273-0.0000 ( 21435 PWs) bands (ev): -42.1113 -42.1113 -42.1087 -42.1087 -26.6248 -26.6248 -26.6167 -26.6167 -10.3396 -10.3396 -10.3031 -10.3031 -10.0865 -10.0865 -10.0720 -10.0720 -10.0344 -10.0344 -10.0189 -10.0189 -6.2085 -6.2085 -5.9083 -5.9083 1.3325 1.3325 1.6622 1.6622 2.2083 2.2083 2.3667 2.3667 2.9157 2.9157 3.2520 3.2520 6.4621 6.4621 6.7090 6.7090 7.0342 7.0342 7.8652 7.8652 k = 0.0000 0.2424-0.0000 ( 21427 PWs) bands (ev): -42.1113 -42.1113 -42.1088 -42.1088 -26.6245 -26.6245 -26.6168 -26.6168 -10.3397 -10.3397 -10.3048 -10.3048 -10.0870 -10.0870 -10.0725 -10.0725 -10.0349 -10.0349 -10.0195 -10.0195 -6.1954 -6.1954 -5.9072 -5.9072 1.3176 1.3176 1.6359 1.6359 2.1626 2.1626 2.3792 2.3792 2.8882 2.8882 3.2344 3.2344 6.5346 6.5346 6.7472 6.7472 7.0716 7.0716 7.8863 7.8863 k = 0.0000 0.2576-0.0000 ( 21416 PWs) bands (ev): -42.1112 -42.1112 -42.1088 -42.1088 -26.6243 -26.6243 -26.6169 -26.6169 -10.3398 -10.3398 -10.3066 -10.3066 -10.0875 -10.0875 -10.0730 -10.0730 -10.0354 -10.0354 -10.0200 -10.0200 -6.1820 -6.1820 -5.9064 -5.9064 1.2984 1.2984 1.6118 1.6118 2.1213 2.1213 2.3932 2.3932 2.8609 2.8609 3.2150 3.2150 6.6075 6.6075 6.7865 6.7865 7.1058 7.1058 7.8948 7.8948 k = 0.0000 0.2727-0.0000 ( 21442 PWs) bands (ev): -42.1112 -42.1112 -42.1089 -42.1089 -26.6241 -26.6241 -26.6171 -26.6171 -10.3399 -10.3399 -10.3083 -10.3083 -10.0880 -10.0880 -10.0735 -10.0735 -10.0359 -10.0359 -10.0206 -10.0206 -6.1682 -6.1682 -5.9059 -5.9059 1.2761 1.2761 1.5881 1.5881 2.0867 2.0867 2.4082 2.4082 2.8339 2.8339 3.1938 3.1938 6.6810 6.6810 6.8265 6.8265 7.1376 7.1376 7.8922 7.8922 k = 0.0000 0.2879-0.0000 ( 21428 PWs) bands (ev): -42.1111 -42.1111 -42.1089 -42.1089 -26.6238 -26.6238 -26.6172 -26.6172 -10.3399 -10.3399 -10.3101 -10.3101 -10.0885 -10.0885 -10.0740 -10.0740 -10.0363 -10.0363 -10.0211 -10.0211 -6.1541 -6.1541 -5.9059 -5.9059 1.2518 1.2518 1.5628 1.5628 2.0603 2.0603 2.4240 2.4240 2.8070 2.8070 3.1711 3.1711 6.7551 6.7551 6.8670 6.8670 7.1684 7.1684 7.8837 7.8837 k = 0.0000 0.3030-0.0000 ( 21430 PWs) bands (ev): -42.1110 -42.1110 -42.1090 -42.1090 -26.6236 -26.6236 -26.6174 -26.6174 -10.3399 -10.3399 -10.3120 -10.3120 -10.0889 -10.0889 -10.0747 -10.0747 -10.0367 -10.0367 -10.0216 -10.0216 -6.1399 -6.1399 -5.9063 -5.9063 1.2269 1.2269 1.5345 1.5345 2.0432 2.0432 2.4404 2.4404 2.7800 2.7800 3.1470 3.1470 6.8299 6.8299 6.9076 6.9076 7.1992 7.1992 7.8699 7.8699 k = 0.0000 0.3182-0.0000 ( 21442 PWs) bands (ev): -42.1110 -42.1110 -42.1091 -42.1091 -26.6233 -26.6233 -26.6175 -26.6175 -10.3399 -10.3399 -10.3138 -10.3138 -10.0893 -10.0893 -10.0753 -10.0753 -10.0369 -10.0369 -10.0221 -10.0221 -6.1255 -6.1255 -5.9073 -5.9073 1.2024 1.2024 1.5027 1.5027 2.0352 2.0352 2.4570 2.4570 2.7533 2.7533 3.1216 3.1216 6.9052 6.9052 6.9479 6.9479 7.2314 7.2314 7.8488 7.8488 k = 0.0000 0.3333-0.0000 ( 21442 PWs) bands (ev): -42.1109 -42.1109 -42.1091 -42.1091 -26.6231 -26.6231 -26.6177 -26.6177 -10.3398 -10.3398 -10.3157 -10.3157 -10.0896 -10.0896 -10.0761 -10.0761 -10.0369 -10.0369 -10.0226 -10.0226 -6.1112 -6.1112 -5.9088 -5.9088 1.1792 1.1792 1.4677 1.4677 2.0358 2.0358 2.4733 2.4733 2.7270 2.7270 3.0951 3.0951 6.9811 6.9811 6.9876 6.9876 7.2657 7.2657 7.8215 7.8215 k = 0.0000 0.3485-0.0000 ( 21440 PWs) bands (ev): -42.1108 -42.1108 -42.1092 -42.1092 -26.6228 -26.6228 -26.6179 -26.6179 -10.3396 -10.3396 -10.3175 -10.3175 -10.0899 -10.0899 -10.0769 -10.0769 -10.0368 -10.0368 -10.0232 -10.0232 -6.0969 -6.0969 -5.9109 -5.9109 1.1579 1.1579 1.4306 1.4306 2.0438 2.0438 2.4885 2.4885 2.7021 2.7021 3.0677 3.0677 7.0263 7.0263 7.0576 7.0576 7.3029 7.3029 7.7896 7.7896 k = 0.0000 0.3636-0.0000 ( 21422 PWs) bands (ev): -42.1107 -42.1107 -42.1093 -42.1093 -26.6225 -26.6225 -26.6181 -26.6181 -10.3394 -10.3394 -10.3193 -10.3193 -10.0900 -10.0900 -10.0778 -10.0778 -10.0366 -10.0366 -10.0238 -10.0238 -6.0827 -6.0827 -5.9137 -5.9137 1.1392 1.1392 1.3924 1.3924 2.0579 2.0579 2.5009 2.5009 2.6799 2.6799 3.0397 3.0397 7.0642 7.0642 7.1343 7.1343 7.3435 7.3435 7.7546 7.7546 k = 0.0000 0.3788-0.0000 ( 21418 PWs) bands (ev): -42.1107 -42.1107 -42.1094 -42.1094 -26.6222 -26.6222 -26.6183 -26.6183 -10.3390 -10.3390 -10.3211 -10.3211 -10.0900 -10.0900 -10.0788 -10.0788 -10.0363 -10.0363 -10.0245 -10.0245 -6.0687 -6.0687 -5.9172 -5.9172 1.1234 1.1234 1.3541 1.3541 2.0769 2.0769 2.5079 2.5079 2.6633 2.6633 3.0111 3.0111 7.1012 7.1012 7.2111 7.2111 7.3873 7.3873 7.7173 7.7173 k = 0.0000 0.3939-0.0000 ( 21418 PWs) bands (ev): -42.1106 -42.1106 -42.1094 -42.1094 -26.6220 -26.6220 -26.6185 -26.6185 -10.3386 -10.3386 -10.3229 -10.3229 -10.0900 -10.0900 -10.0798 -10.0798 -10.0358 -10.0358 -10.0251 -10.0251 -6.0549 -6.0549 -5.9214 -5.9214 1.1108 1.1108 1.3168 1.3168 2.0998 2.0998 2.5058 2.5058 2.6557 2.6557 2.9822 2.9822 7.1376 7.1376 7.2875 7.2875 7.4342 7.4342 7.6785 7.6785 k = 0.0000 0.4091-0.0000 ( 21396 PWs) bands (ev): -42.1105 -42.1105 -42.1095 -42.1095 -26.6217 -26.6217 -26.6187 -26.6187 -10.3381 -10.3381 -10.3245 -10.3245 -10.0898 -10.0898 -10.0808 -10.0808 -10.0353 -10.0353 -10.0258 -10.0258 -6.0416 -6.0416 -5.9263 -5.9263 1.1017 1.1017 1.2810 1.2810 2.1258 2.1258 2.4931 2.4931 2.6588 2.6588 2.9531 2.9531 7.1736 7.1736 7.3630 7.3630 7.4835 7.4835 7.6390 7.6390 k = 0.0000 0.4242-0.0000 ( 21408 PWs) bands (ev): -42.1104 -42.1104 -42.1096 -42.1096 -26.6214 -26.6214 -26.6189 -26.6189 -10.3376 -10.3376 -10.3262 -10.3262 -10.0895 -10.0895 -10.0819 -10.0819 -10.0347 -10.0347 -10.0266 -10.0266 -6.0286 -6.0286 -5.9320 -5.9320 1.0962 1.0962 1.2475 1.2475 2.1542 2.1542 2.4718 2.4718 2.6707 2.6707 2.9241 2.9241 7.2095 7.2095 7.4368 7.4368 7.5332 7.5332 7.6002 7.6002 k = 0.0000 0.4394-0.0000 ( 21408 PWs) bands (ev): -42.1103 -42.1103 -42.1097 -42.1097 -26.6212 -26.6212 -26.6191 -26.6191 -10.3369 -10.3369 -10.3277 -10.3277 -10.0891 -10.0891 -10.0829 -10.0829 -10.0339 -10.0339 -10.0274 -10.0274 -6.0161 -6.0161 -5.9384 -5.9384 1.0944 1.0944 1.2166 1.2166 2.1846 2.1846 2.4449 2.4449 2.6882 2.6882 2.8951 2.8951 7.2457 7.2457 7.5076 7.5076 7.5519 7.5519 7.5926 7.5926 k = 0.0000 0.4545-0.0000 ( 21400 PWs) bands (ev): -42.1103 -42.1103 -42.1098 -42.1098 -26.6209 -26.6209 -26.6194 -26.6194 -10.3361 -10.3361 -10.3292 -10.3292 -10.0886 -10.0886 -10.0839 -10.0839 -10.0332 -10.0332 -10.0282 -10.0282 -6.0041 -6.0041 -5.9456 -5.9456 1.0964 1.0964 1.1887 1.1887 2.2163 2.2163 2.4147 2.4147 2.7093 2.7093 2.8665 2.8665 7.2824 7.2824 7.5143 7.5143 7.5744 7.5744 7.6383 7.6383 k = 0.0000 0.4697-0.0000 ( 21410 PWs) bands (ev): -42.1102 -42.1102 -42.1098 -42.1098 -26.6206 -26.6206 -26.6196 -26.6196 -10.3352 -10.3352 -10.3306 -10.3306 -10.0880 -10.0880 -10.0848 -10.0848 -10.0324 -10.0324 -10.0290 -10.0290 -5.9926 -5.9926 -5.9536 -5.9536 1.1023 1.1023 1.1642 1.1642 2.2490 2.2490 2.3827 2.3827 2.7326 2.7326 2.8382 2.8382 7.3196 7.3196 7.4747 7.4747 7.6329 7.6329 7.6795 7.6795 k = 0.0000 0.4848-0.0000 ( 21408 PWs) bands (ev): -42.1101 -42.1101 -42.1099 -42.1099 -26.6204 -26.6204 -26.6199 -26.6199 -10.3342 -10.3342 -10.3319 -10.3319 -10.0874 -10.0874 -10.0858 -10.0858 -10.0316 -10.0316 -10.0299 -10.0299 -5.9819 -5.9819 -5.9623 -5.9623 1.1121 1.1121 1.1431 1.1431 2.2824 2.2824 2.3496 2.3496 2.7575 2.7575 2.8106 2.8106 7.3574 7.3574 7.4351 7.4351 7.6792 7.6792 7.7051 7.7051 k = 0.0000 0.5000-0.0000 ( 21382 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3331 -10.3331 -10.3331 -10.3331 -10.0866 -10.0866 -10.0866 -10.0866 -10.0307 -10.0307 -10.0307 -10.0307 -5.9717 -5.9717 -5.9717 -5.9717 1.1257 1.1257 1.1257 1.1257 2.3161 2.3161 2.3161 2.3161 2.7836 2.7836 2.7836 2.7836 7.3960 7.3960 7.3960 7.3960 7.7055 7.7055 7.7055 7.7055 k = 0.0000 0.5000-0.0000 ( 21382 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3331 -10.3331 -10.3331 -10.3331 -10.0866 -10.0866 -10.0866 -10.0866 -10.0307 -10.0307 -10.0307 -10.0307 -5.9717 -5.9717 -5.9717 -5.9717 1.1257 1.1257 1.1257 1.1257 2.3161 2.3161 2.3161 2.3161 2.7836 2.7836 2.7836 2.7836 7.3960 7.3960 7.3960 7.3960 7.7055 7.7055 7.7055 7.7055 k = 0.0152 0.5000-0.0000 ( 21406 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3332 -10.3332 -10.3330 -10.3330 -10.0876 -10.0876 -10.0855 -10.0855 -10.0317 -10.0317 -10.0298 -10.0298 -5.9717 -5.9717 -5.9717 -5.9717 1.1250 1.1250 1.1277 1.1277 2.3100 2.3100 2.3211 2.3211 2.7775 2.7775 2.7855 2.7855 7.3922 7.3922 7.4007 7.4007 7.6924 7.6924 7.6964 7.6964 k = 0.0303 0.5000-0.0000 ( 21402 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3332 -10.3332 -10.3329 -10.3329 -10.0887 -10.0887 -10.0844 -10.0844 -10.0329 -10.0329 -10.0289 -10.0289 -5.9715 -5.9715 -5.9715 -5.9715 1.1256 1.1256 1.1308 1.1308 2.3028 2.3028 2.3253 2.3253 2.7671 2.7671 2.7834 2.7834 7.3865 7.3865 7.4039 7.4039 7.6677 7.6677 7.6712 7.6712 k = 0.0455 0.5000-0.0000 ( 21396 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3333 -10.3333 -10.3327 -10.3327 -10.0896 -10.0896 -10.0833 -10.0833 -10.0341 -10.0341 -10.0282 -10.0282 -5.9712 -5.9712 -5.9712 -5.9712 1.1273 1.1273 1.1353 1.1353 2.2943 2.2943 2.3286 2.3286 2.7525 2.7525 2.7775 2.7775 7.3712 7.3712 7.3971 7.3971 7.6493 7.6493 7.6496 7.6496 k = 0.0606 0.5000-0.0000 ( 21402 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3333 -10.3333 -10.3326 -10.3326 -10.0906 -10.0906 -10.0821 -10.0821 -10.0354 -10.0354 -10.0276 -10.0276 -5.9708 -5.9708 -5.9708 -5.9708 1.1301 1.1301 1.1409 1.1409 2.2844 2.2844 2.3312 2.3312 2.7339 2.7339 2.7684 2.7684 7.3392 7.3392 7.3697 7.3697 7.6507 7.6507 7.6515 7.6515 k = 0.0758 0.5000-0.0000 ( 21392 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3333 -10.3333 -10.3324 -10.3324 -10.0915 -10.0915 -10.0809 -10.0809 -10.0368 -10.0368 -10.0270 -10.0270 -5.9703 -5.9703 -5.9702 -5.9702 1.1340 1.1340 1.1477 1.1477 2.2727 2.2727 2.3331 2.3331 2.7117 2.7117 2.7566 2.7566 7.2910 7.2910 7.3215 7.3215 7.6770 7.6770 7.6793 7.6793 k = 0.0909 0.5000-0.0000 ( 21412 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6200 -26.6200 -26.6200 -26.6200 -10.3333 -10.3333 -10.3323 -10.3323 -10.0923 -10.0923 -10.0797 -10.0797 -10.0382 -10.0382 -10.0266 -10.0266 -5.9696 -5.9696 -5.9696 -5.9696 1.1390 1.1390 1.1556 1.1556 2.2592 2.2592 2.3342 2.3342 2.6864 2.6864 2.7427 2.7427 7.2326 7.2326 7.2610 7.2610 7.7204 7.7204 7.7286 7.7286 k = 0.1061 0.5000-0.0000 ( 21412 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6200 -26.6200 -26.6200 -26.6200 -10.3333 -10.3333 -10.3321 -10.3321 -10.0931 -10.0931 -10.0785 -10.0785 -10.0397 -10.0397 -10.0263 -10.0263 -5.9689 -5.9689 -5.9689 -5.9689 1.1448 1.1448 1.1646 1.1646 2.2438 2.2438 2.3345 2.3345 2.6585 2.6585 2.7273 2.7273 7.1693 7.1693 7.1950 7.1950 7.7740 7.7740 7.7906 7.7906 k = 0.1212 0.5000-0.0000 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6200 -26.6200 -26.6200 -26.6200 -10.3332 -10.3332 -10.3319 -10.3319 -10.0938 -10.0938 -10.0773 -10.0773 -10.0413 -10.0413 -10.0260 -10.0260 -5.9681 -5.9681 -5.9680 -5.9680 1.1514 1.1514 1.1745 1.1745 2.2262 2.2262 2.3340 2.3340 2.6285 2.6285 2.7111 2.7111 7.1045 7.1045 7.1275 7.1275 7.8246 7.8246 7.8508 7.8508 k = 0.1364 0.5000-0.0000 ( 21420 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6199 -26.6199 -26.6199 -26.6199 -10.3332 -10.3332 -10.3317 -10.3317 -10.0945 -10.0945 -10.0760 -10.0760 -10.0430 -10.0430 -10.0259 -10.0259 -5.9672 -5.9672 -5.9671 -5.9671 1.1587 1.1587 1.1853 1.1853 2.2065 2.2065 2.3325 2.3325 2.5972 2.5972 2.6946 2.6946 7.0401 7.0401 7.0605 7.0605 7.8506 7.8506 7.8715 7.8715 k = 0.1515 0.5000-0.0000 ( 21432 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6199 -26.6199 -26.6199 -26.6199 -10.3331 -10.3331 -10.3316 -10.3316 -10.0951 -10.0951 -10.0748 -10.0748 -10.0446 -10.0446 -10.0258 -10.0258 -5.9662 -5.9662 -5.9661 -5.9661 1.1666 1.1666 1.1967 1.1967 2.1849 2.1849 2.3298 2.3298 2.5653 2.5653 2.6782 2.6782 6.9772 6.9772 6.9953 6.9953 7.8453 7.8453 7.8547 7.8547 k = 0.1667 0.5000-0.0000 ( 21424 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6199 -26.6199 -26.6199 -26.6199 -10.3330 -10.3330 -10.3314 -10.3314 -10.0957 -10.0957 -10.0735 -10.0735 -10.0464 -10.0464 -10.0258 -10.0258 -5.9651 -5.9651 -5.9650 -5.9650 1.1748 1.1748 1.2088 1.2088 2.1614 2.1614 2.3257 2.3257 2.5336 2.5336 2.6622 2.6622 6.9168 6.9168 6.9325 6.9325 7.8222 7.8222 7.8252 7.8252 k = 0.1818 0.5000-0.0000 ( 21416 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6198 -26.6198 -26.6198 -26.6198 -10.3330 -10.3330 -10.3313 -10.3313 -10.0961 -10.0961 -10.0723 -10.0723 -10.0481 -10.0481 -10.0259 -10.0259 -5.9639 -5.9639 -5.9639 -5.9639 1.1833 1.1833 1.2212 1.2212 2.1366 2.1366 2.3199 2.3199 2.5029 2.5029 2.6470 2.6470 6.8593 6.8593 6.8728 6.8728 7.7893 7.7893 7.7897 7.7897 k = 0.1970 0.5000-0.0000 ( 21422 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6198 -26.6198 -26.6198 -26.6198 -10.3329 -10.3329 -10.3311 -10.3311 -10.0965 -10.0965 -10.0711 -10.0711 -10.0498 -10.0498 -10.0261 -10.0261 -5.9627 -5.9627 -5.9627 -5.9627 1.1918 1.1918 1.2338 1.2338 2.1107 2.1107 2.3119 2.3119 2.4743 2.4743 2.6325 2.6325 6.8052 6.8052 6.8165 6.8165 7.7488 7.7488 7.7510 7.7510 k = 0.2121 0.5000-0.0000 ( 21438 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6197 -26.6197 -26.6197 -26.6197 -10.3328 -10.3328 -10.3310 -10.3310 -10.0968 -10.0968 -10.0699 -10.0699 -10.0516 -10.0516 -10.0264 -10.0264 -5.9615 -5.9615 -5.9614 -5.9614 1.2002 1.2002 1.2463 1.2463 2.0844 2.0844 2.3015 2.3015 2.4484 2.4484 2.6188 2.6188 6.7546 6.7546 6.7639 6.7639 7.7043 7.7043 7.7074 7.7074 k = 0.2273 0.5000-0.0000 ( 21432 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6197 -26.6197 -26.6197 -26.6197 -10.3328 -10.3328 -10.3309 -10.3309 -10.0970 -10.0970 -10.0687 -10.0687 -10.0532 -10.0532 -10.0267 -10.0267 -5.9602 -5.9602 -5.9602 -5.9602 1.2083 1.2083 1.2585 1.2585 2.0584 2.0584 2.2884 2.2884 2.4260 2.4260 2.6057 2.6057 6.7081 6.7081 6.7153 6.7153 7.6561 7.6561 7.6598 7.6598 k = 0.2424 0.5000-0.0000 ( 21430 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6196 -26.6196 -26.6196 -26.6196 -10.3327 -10.3327 -10.3308 -10.3308 -10.0971 -10.0971 -10.0676 -10.0676 -10.0548 -10.0548 -10.0272 -10.0272 -5.9590 -5.9590 -5.9589 -5.9589 1.2159 1.2159 1.2700 1.2700 2.0331 2.0331 2.2730 2.2730 2.4071 2.4071 2.5931 2.5931 6.6656 6.6656 6.6710 6.6710 7.6049 7.6049 7.6087 7.6087 k = 0.2576 0.5000-0.0000 ( 21418 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6196 -26.6196 -26.6196 -26.6196 -10.3327 -10.3327 -10.3308 -10.3308 -10.0972 -10.0972 -10.0668 -10.0668 -10.0562 -10.0562 -10.0276 -10.0276 -5.9577 -5.9577 -5.9576 -5.9576 1.2228 1.2228 1.2806 1.2806 2.0094 2.0094 2.2559 2.2559 2.3914 2.3914 2.5808 2.5808 6.6275 6.6275 6.6311 6.6311 7.5510 7.5510 7.5546 7.5546 k = 0.2727 0.5000-0.0000 ( 21424 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6195 -26.6195 -26.6195 -26.6195 -10.3326 -10.3326 -10.3308 -10.3308 -10.0971 -10.0971 -10.0662 -10.0662 -10.0573 -10.0573 -10.0282 -10.0282 -5.9564 -5.9564 -5.9563 -5.9563 1.2290 1.2290 1.2898 1.2898 1.9879 1.9879 2.2383 2.2383 2.3781 2.3781 2.5687 2.5687 6.5938 6.5938 6.5957 6.5957 7.4948 7.4948 7.4980 7.4980 k = 0.2879 0.5000-0.0000 ( 21430 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6195 -26.6195 -26.6195 -26.6195 -10.3326 -10.3326 -10.3308 -10.3308 -10.0970 -10.0970 -10.0662 -10.0662 -10.0578 -10.0578 -10.0288 -10.0288 -5.9551 -5.9551 -5.9550 -5.9550 1.2342 1.2342 1.2975 1.2975 1.9692 1.9692 2.2210 2.2210 2.3666 2.3666 2.5566 2.5566 6.5647 6.5647 6.5651 6.5651 7.4368 7.4368 7.4396 7.4396 k = 0.3030 0.5000-0.0000 ( 21422 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6194 -26.6194 -26.6194 -26.6194 -10.3325 -10.3325 -10.3308 -10.3308 -10.0967 -10.0967 -10.0668 -10.0668 -10.0577 -10.0577 -10.0295 -10.0295 -5.9538 -5.9538 -5.9538 -5.9538 1.2385 1.2385 1.3033 1.3033 1.9537 1.9537 2.2048 2.2048 2.3564 2.3564 2.5444 2.5444 6.5392 6.5392 6.5403 6.5403 7.3776 7.3776 7.3798 7.3798 k = 0.3182 0.5000-0.0000 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6194 -26.6194 -26.6194 -26.6194 -10.3325 -10.3325 -10.3308 -10.3308 -10.0964 -10.0964 -10.0678 -10.0678 -10.0571 -10.0571 -10.0302 -10.0302 -5.9526 -5.9526 -5.9526 -5.9526 1.2418 1.2418 1.3070 1.3070 1.9420 1.9420 2.1900 2.1900 2.3471 2.3471 2.5319 2.5319 6.5183 6.5183 6.5207 6.5207 7.3176 7.3176 7.3190 7.3190 k = 0.3333 0.5000-0.0000 ( 21428 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6193 -26.6193 -26.6193 -26.6193 -10.3325 -10.3325 -10.3309 -10.3309 -10.0959 -10.0959 -10.0692 -10.0692 -10.0562 -10.0562 -10.0310 -10.0310 -5.9514 -5.9514 -5.9514 -5.9514 1.2441 1.2441 1.3085 1.3085 1.9342 1.9342 2.1769 2.1769 2.3385 2.3385 2.5191 2.5191 6.5022 6.5022 6.5058 6.5058 7.2572 7.2572 7.2579 7.2579 k = 0.3485 0.5000-0.0000 ( 21432 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6193 -26.6193 -26.6193 -26.6193 -10.3324 -10.3324 -10.3309 -10.3309 -10.0954 -10.0954 -10.0707 -10.0707 -10.0551 -10.0551 -10.0318 -10.0318 -5.9503 -5.9503 -5.9503 -5.9503 1.2456 1.2456 1.3080 1.3080 1.9305 1.9305 2.1653 2.1653 2.3309 2.3309 2.5059 2.5059 6.4911 6.4911 6.4957 6.4957 7.1969 7.1969 7.1971 7.1971 k = 0.3636 0.5000-0.0000 ( 21430 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6193 -26.6193 -26.6193 -26.6193 -10.3324 -10.3324 -10.3310 -10.3310 -10.0948 -10.0948 -10.0723 -10.0723 -10.0539 -10.0539 -10.0327 -10.0327 -5.9493 -5.9493 -5.9492 -5.9492 1.2464 1.2464 1.3055 1.3055 1.9306 1.9306 2.1549 2.1549 2.3244 2.3244 2.4921 2.4921 6.4849 6.4849 6.4904 6.4904 7.1365 7.1365 7.1375 7.1375 k = 0.3788 0.5000-0.0000 ( 21434 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6192 -26.6192 -26.6192 -26.6192 -10.3324 -10.3324 -10.3311 -10.3311 -10.0941 -10.0941 -10.0739 -10.0739 -10.0527 -10.0527 -10.0336 -10.0336 -5.9483 -5.9483 -5.9483 -5.9483 1.2466 1.2466 1.3014 1.3014 1.9344 1.9344 2.1452 2.1452 2.3194 2.3194 2.4780 2.4780 6.4835 6.4835 6.4898 6.4898 7.0772 7.0772 7.0790 7.0790 k = 0.3939 0.5000-0.0000 ( 21458 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6192 -26.6192 -26.6192 -26.6192 -10.3323 -10.3323 -10.3312 -10.3312 -10.0933 -10.0933 -10.0754 -10.0754 -10.0514 -10.0514 -10.0346 -10.0346 -5.9475 -5.9475 -5.9474 -5.9474 1.2466 1.2466 1.2960 1.2960 1.9414 1.9414 2.1356 2.1356 2.3163 2.3163 2.4634 2.4634 6.4869 6.4869 6.4937 6.4937 7.0195 7.0195 7.0222 7.0222 k = 0.4091 0.5000-0.0000 ( 21438 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6192 -26.6192 -26.6192 -26.6192 -10.3323 -10.3323 -10.3313 -10.3313 -10.0925 -10.0925 -10.0770 -10.0770 -10.0501 -10.0501 -10.0356 -10.0356 -5.9467 -5.9467 -5.9467 -5.9467 1.2464 1.2464 1.2899 1.2899 1.9512 1.9512 2.1256 2.1256 2.3154 2.3154 2.4485 2.4485 6.4948 6.4948 6.5020 6.5020 6.9640 6.9640 6.9673 6.9673 k = 0.4242 0.5000-0.0000 ( 21442 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3323 -10.3323 -10.3315 -10.3315 -10.0915 -10.0915 -10.0786 -10.0786 -10.0488 -10.0488 -10.0367 -10.0367 -5.9460 -5.9460 -5.9460 -5.9460 1.2464 1.2464 1.2833 1.2833 1.9634 1.9634 2.1146 2.1146 2.3170 2.3170 2.4333 2.4333 6.5070 6.5070 6.5144 6.5144 6.9111 6.9111 6.9151 6.9151 k = 0.4394 0.5000-0.0000 ( 21438 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3322 -10.3322 -10.3316 -10.3316 -10.0905 -10.0905 -10.0801 -10.0801 -10.0475 -10.0475 -10.0378 -10.0378 -5.9455 -5.9455 -5.9455 -5.9455 1.2468 1.2468 1.2766 1.2766 1.9773 1.9773 2.1024 2.1024 2.3212 2.3212 2.4180 2.4180 6.5229 6.5229 6.5302 6.5302 6.8617 6.8617 6.8662 6.8662 k = 0.4545 0.5000-0.0000 ( 21442 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3322 -10.3322 -10.3317 -10.3317 -10.0894 -10.0894 -10.0816 -10.0816 -10.0462 -10.0462 -10.0389 -10.0389 -5.9450 -5.9450 -5.9450 -5.9450 1.2477 1.2477 1.2703 1.2703 1.9926 1.9926 2.0889 2.0889 2.3279 2.3279 2.4028 2.4028 6.5417 6.5417 6.5486 6.5486 6.8169 6.8169 6.8216 6.8216 k = 0.4697 0.5000-0.0000 ( 21434 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3321 -10.3321 -10.3318 -10.3318 -10.0883 -10.0883 -10.0830 -10.0830 -10.0449 -10.0449 -10.0401 -10.0401 -5.9447 -5.9447 -5.9447 -5.9447 1.2493 1.2493 1.2645 1.2645 2.0088 2.0088 2.0742 2.0742 2.3368 2.3368 2.3879 2.3879 6.5618 6.5618 6.5676 6.5676 6.7789 6.7789 6.7832 6.7832 k = 0.4848 0.5000-0.0000 ( 21440 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3321 -10.3321 -10.3319 -10.3319 -10.0870 -10.0870 -10.0844 -10.0844 -10.0437 -10.0437 -10.0412 -10.0412 -5.9445 -5.9445 -5.9445 -5.9445 1.2518 1.2518 1.2594 1.2594 2.0255 2.0255 2.0585 2.0585 2.3476 2.3476 2.3735 2.3735 6.5795 6.5795 6.5831 6.5831 6.7517 6.7517 6.7546 6.7546 k = 0.5000 0.5000-0.0000 ( 21440 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3320 -10.3320 -10.3320 -10.3320 -10.0858 -10.0858 -10.0858 -10.0858 -10.0425 -10.0425 -10.0425 -10.0425 -5.9445 -5.9445 -5.9445 -5.9445 1.2551 1.2551 1.2551 1.2551 2.0421 2.0421 2.0421 2.0421 2.3600 2.3600 2.3600 2.3600 6.5883 6.5883 6.5883 6.5883 6.7424 6.7424 6.7424 6.7424 k = 0.5000 0.5000-0.0000 ( 21440 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3320 -10.3320 -10.3320 -10.3320 -10.0858 -10.0858 -10.0858 -10.0858 -10.0425 -10.0425 -10.0425 -10.0425 -5.9445 -5.9445 -5.9445 -5.9445 1.2551 1.2551 1.2551 1.2551 2.0421 2.0421 2.0421 2.0421 2.3600 2.3600 2.3600 2.3600 6.5883 6.5883 6.5883 6.5883 6.7424 6.7424 6.7424 6.7424 k = 0.4891 0.4891-0.0000 ( 21444 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3321 -10.3321 -10.3319 -10.3319 -10.0871 -10.0871 -10.0844 -10.0844 -10.0437 -10.0437 -10.0412 -10.0412 -5.9448 -5.9448 -5.9443 -5.9443 1.2517 1.2517 1.2595 1.2595 2.0251 2.0251 2.0588 2.0588 2.3474 2.3474 2.3738 2.3738 6.5710 6.5710 6.5924 6.5924 6.7429 6.7429 6.7629 6.7629 k = 0.4783 0.4783-0.0000 ( 21426 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3321 -10.3321 -10.3318 -10.3318 -10.0883 -10.0883 -10.0830 -10.0830 -10.0450 -10.0450 -10.0400 -10.0400 -5.9457 -5.9457 -5.9437 -5.9437 1.2493 1.2493 1.2647 1.2647 2.0078 2.0078 2.0752 2.0752 2.3359 2.3359 2.3888 2.3888 6.5344 6.5344 6.6042 6.6042 6.7447 6.7447 6.8090 6.8090 k = 0.4674 0.4674-0.0000 ( 21448 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6192 -26.6192 -26.6190 -26.6190 -10.3323 -10.3323 -10.3316 -10.3316 -10.0895 -10.0895 -10.0815 -10.0815 -10.0463 -10.0463 -10.0388 -10.0388 -5.9473 -5.9473 -5.9428 -5.9428 1.2478 1.2478 1.2709 1.2709 1.9901 1.9901 2.0913 2.0913 2.3255 2.3255 2.4052 2.4052 6.4936 6.4936 6.6237 6.6237 6.7478 6.7478 6.8658 6.8658 k = 0.4565 0.4565-0.0000 ( 21430 PWs) bands (ev): -42.1100 -42.1100 -42.1099 -42.1099 -26.6192 -26.6192 -26.6190 -26.6190 -10.3324 -10.3324 -10.3314 -10.3314 -10.0905 -10.0905 -10.0801 -10.0801 -10.0476 -10.0476 -10.0377 -10.0377 -5.9495 -5.9495 -5.9416 -5.9416 1.2473 1.2473 1.2779 1.2779 1.9721 1.9721 2.1073 2.1073 2.3161 2.3161 2.4228 2.4228 6.4539 6.4539 6.6506 6.6506 6.7520 6.7520 6.9278 6.9278 k = 0.4457 0.4457-0.0000 ( 21438 PWs) bands (ev): -42.1100 -42.1100 -42.1099 -42.1099 -26.6193 -26.6193 -26.6190 -26.6190 -10.3325 -10.3325 -10.3311 -10.3311 -10.0915 -10.0915 -10.0785 -10.0785 -10.0489 -10.0489 -10.0366 -10.0366 -5.9523 -5.9523 -5.9401 -5.9401 1.2479 1.2479 1.2859 1.2859 1.9540 1.9540 2.1232 2.1232 2.3074 2.3074 2.4418 2.4418 6.4173 6.4173 6.6846 6.6846 6.7575 6.7575 6.9929 6.9929 k = 0.4348 0.4348-0.0000 ( 21448 PWs) bands (ev): -42.1101 -42.1101 -42.1099 -42.1099 -26.6194 -26.6194 -26.6189 -26.6189 -10.3327 -10.3327 -10.3308 -10.3308 -10.0924 -10.0924 -10.0770 -10.0770 -10.0502 -10.0502 -10.0355 -10.0355 -5.9558 -5.9558 -5.9382 -5.9382 1.2495 1.2495 1.2948 1.2948 1.9357 1.9357 2.1392 2.1392 2.2994 2.2994 2.4622 2.4622 6.3850 6.3850 6.7253 6.7253 6.7641 6.7641 7.0602 7.0602 k = 0.4239 0.4239-0.0000 ( 21437 PWs) bands (ev): -42.1101 -42.1101 -42.1099 -42.1099 -26.6195 -26.6195 -26.6189 -26.6189 -10.3329 -10.3329 -10.3305 -10.3305 -10.0932 -10.0932 -10.0755 -10.0755 -10.0515 -10.0515 -10.0344 -10.0344 -5.9599 -5.9599 -5.9361 -5.9361 1.2522 1.2522 1.3047 1.3047 1.9176 1.9176 2.1555 2.1555 2.2918 2.2918 2.4839 2.4839 6.3574 6.3574 6.7715 6.7715 6.7725 6.7725 7.1289 7.1289 k = 0.4130 0.4130-0.0000 ( 21423 PWs) bands (ev): -42.1101 -42.1101 -42.1099 -42.1099 -26.6196 -26.6196 -26.6188 -26.6188 -10.3332 -10.3332 -10.3300 -10.3300 -10.0939 -10.0939 -10.0740 -10.0740 -10.0528 -10.0528 -10.0334 -10.0334 -5.9646 -5.9646 -5.9338 -5.9338 1.2560 1.2560 1.3154 1.3154 1.8998 1.8998 2.1720 2.1720 2.2846 2.2846 2.5070 2.5070 6.3349 6.3349 6.7807 6.7807 6.8247 6.8247 7.1986 7.1986 k = 0.4022 0.4022-0.0000 ( 21423 PWs) bands (ev): -42.1101 -42.1101 -42.1098 -42.1098 -26.6198 -26.6198 -26.6188 -26.6188 -10.3335 -10.3335 -10.3295 -10.3295 -10.0945 -10.0945 -10.0724 -10.0724 -10.0541 -10.0541 -10.0324 -10.0324 -5.9699 -5.9699 -5.9313 -5.9313 1.2610 1.2610 1.3272 1.3272 1.8826 1.8826 2.1889 2.1889 2.2775 2.2775 2.5314 2.5314 6.3178 6.3178 6.7906 6.7906 6.8821 6.8821 7.2689 7.2689 k = 0.3913 0.3913-0.0000 ( 21399 PWs) bands (ev): -42.1102 -42.1102 -42.1098 -42.1098 -26.6199 -26.6199 -26.6187 -26.6187 -10.3337 -10.3337 -10.3289 -10.3289 -10.0950 -10.0950 -10.0710 -10.0710 -10.0553 -10.0553 -10.0315 -10.0315 -5.9759 -5.9759 -5.9287 -5.9287 1.2669 1.2669 1.3400 1.3400 1.8663 1.8663 2.2059 2.2059 2.2707 2.2707 2.5571 2.5571 6.3063 6.3063 6.8016 6.8016 6.9436 6.9436 7.3394 7.3394 k = 0.3804 0.3804-0.0000 ( 21401 PWs) bands (ev): -42.1102 -42.1102 -42.1097 -42.1097 -26.6201 -26.6201 -26.6186 -26.6186 -10.3341 -10.3341 -10.3283 -10.3283 -10.0953 -10.0953 -10.0696 -10.0696 -10.0564 -10.0564 -10.0305 -10.0305 -5.9826 -5.9826 -5.9260 -5.9260 1.2739 1.2739 1.3538 1.3538 1.8513 1.8513 2.2219 2.2219 2.2654 2.2654 2.5840 2.5840 6.3004 6.3004 6.8136 6.8136 7.0084 7.0084 7.4099 7.4099 k = 0.3696 0.3696-0.0000 ( 21393 PWs) bands (ev): -42.1103 -42.1103 -42.1097 -42.1097 -26.6203 -26.6203 -26.6186 -26.6186 -10.3344 -10.3344 -10.3276 -10.3276 -10.0956 -10.0956 -10.0683 -10.0683 -10.0573 -10.0573 -10.0296 -10.0296 -5.9898 -5.9898 -5.9232 -5.9232 1.2818 1.2818 1.3687 1.3687 1.8377 1.8377 2.2324 2.2324 2.2662 2.2662 2.6121 2.6121 6.3001 6.3001 6.8264 6.8264 7.0754 7.0754 7.4800 7.4800 k = 0.3587 0.3587-0.0000 ( 21401 PWs) bands (ev): -42.1103 -42.1103 -42.1097 -42.1097 -26.6205 -26.6205 -26.6185 -26.6185 -10.3347 -10.3347 -10.3268 -10.3268 -10.0957 -10.0957 -10.0673 -10.0673 -10.0580 -10.0580 -10.0288 -10.0288 -5.9977 -5.9977 -5.9204 -5.9204 1.2903 1.2903 1.3847 1.3847 1.8261 1.8261 2.2315 2.2315 2.2788 2.2788 2.6413 2.6413 6.3052 6.3052 6.8401 6.8401 7.1438 7.1438 7.5494 7.5494 k = 0.3478 0.3478-0.0000 ( 21409 PWs) bands (ev): -42.1104 -42.1104 -42.1096 -42.1096 -26.6207 -26.6207 -26.6184 -26.6184 -10.3351 -10.3351 -10.3259 -10.3259 -10.0957 -10.0957 -10.0667 -10.0667 -10.0582 -10.0582 -10.0280 -10.0280 -6.0062 -6.0062 -5.9177 -5.9177 1.2994 1.2994 1.4020 1.4020 1.8168 1.8168 2.2241 2.2241 2.2986 2.2986 2.6715 2.6715 6.3155 6.3155 6.8545 6.8545 7.2122 7.2122 7.6180 7.6180 k = 0.3370 0.3370-0.0000 ( 21427 PWs) bands (ev): -42.1104 -42.1104 -42.1096 -42.1096 -26.6209 -26.6209 -26.6183 -26.6183 -10.3354 -10.3354 -10.3250 -10.3250 -10.0955 -10.0955 -10.0666 -10.0666 -10.0579 -10.0579 -10.0272 -10.0272 -6.0152 -6.0152 -5.9150 -5.9150 1.3088 1.3088 1.4207 1.4207 1.8100 1.8100 2.2144 2.2144 2.3213 2.3213 2.7026 2.7026 6.3307 6.3307 6.8695 6.8695 7.2796 7.2796 7.6855 7.6855 k = 0.3261 0.3261-0.0000 ( 21427 PWs) bands (ev): -42.1105 -42.1105 -42.1095 -42.1095 -26.6211 -26.6211 -26.6182 -26.6182 -10.3358 -10.3358 -10.3240 -10.3240 -10.0953 -10.0953 -10.0670 -10.0670 -10.0571 -10.0571 -10.0265 -10.0265 -6.0249 -6.0249 -5.9125 -5.9125 1.3181 1.3181 1.4407 1.4407 1.8060 1.8060 2.2037 2.2037 2.3460 2.3460 2.7344 2.7344 6.3502 6.3502 6.8850 6.8850 7.3447 7.3447 7.7516 7.7516 k = 0.3152 0.3152-0.0000 ( 21405 PWs) bands (ev): -42.1105 -42.1105 -42.1095 -42.1095 -26.6213 -26.6213 -26.6181 -26.6181 -10.3362 -10.3362 -10.3229 -10.3229 -10.0949 -10.0949 -10.0676 -10.0676 -10.0560 -10.0560 -10.0258 -10.0258 -6.0351 -6.0351 -5.9102 -5.9102 1.3273 1.3273 1.4621 1.4621 1.8051 1.8051 2.1926 2.1926 2.3724 2.3724 2.7669 2.7669 6.3733 6.3733 6.9008 6.9008 7.4062 7.4062 7.8161 7.8161 k = 0.3043 0.3043-0.0000 ( 21409 PWs) bands (ev): -42.1106 -42.1106 -42.1094 -42.1094 -26.6216 -26.6216 -26.6180 -26.6180 -10.3365 -10.3365 -10.3217 -10.3217 -10.0945 -10.0945 -10.0685 -10.0685 -10.0546 -10.0546 -10.0251 -10.0251 -6.0457 -6.0457 -5.9081 -5.9081 1.3360 1.3360 1.4849 1.4849 1.8074 1.8074 2.1816 2.1816 2.4002 2.4002 2.7998 2.7998 6.3995 6.3995 6.9166 6.9166 7.4631 7.4631 7.8788 7.8788 k = 0.2935 0.2935-0.0000 ( 21401 PWs) bands (ev): -42.1106 -42.1106 -42.1094 -42.1094 -26.6218 -26.6218 -26.6179 -26.6179 -10.3369 -10.3369 -10.3205 -10.3205 -10.0939 -10.0939 -10.0693 -10.0693 -10.0532 -10.0532 -10.0245 -10.0245 -6.0569 -6.0569 -5.9062 -5.9062 1.3441 1.3441 1.5091 1.5091 1.8130 1.8130 2.1710 2.1710 2.4295 2.4295 2.8331 2.8331 6.4276 6.4276 6.9324 6.9324 7.5140 7.5140 7.9394 7.9394 k = 0.2826 0.2826-0.0000 ( 21403 PWs) bands (ev): -42.1107 -42.1107 -42.1093 -42.1093 -26.6220 -26.6220 -26.6178 -26.6178 -10.3372 -10.3372 -10.3192 -10.3192 -10.0932 -10.0932 -10.0703 -10.0703 -10.0516 -10.0516 -10.0239 -10.0239 -6.0685 -6.0685 -5.9046 -5.9046 1.3516 1.3516 1.5344 1.5344 1.8218 1.8218 2.1615 2.1615 2.4601 2.4601 2.8664 2.8664 6.4566 6.4566 6.9476 6.9476 7.5583 7.5583 7.9975 7.9975 k = 0.2717 0.2717-0.0000 ( 21395 PWs) bands (ev): -42.1108 -42.1108 -42.1092 -42.1092 -26.6223 -26.6223 -26.6177 -26.6177 -10.3375 -10.3375 -10.3179 -10.3179 -10.0924 -10.0924 -10.0712 -10.0712 -10.0500 -10.0500 -10.0234 -10.0234 -6.0805 -6.0805 -5.9032 -5.9032 1.3583 1.3583 1.5606 1.5606 1.8337 1.8337 2.1537 2.1537 2.4921 2.4921 2.8997 2.8997 6.4852 6.4852 6.9620 6.9620 7.5948 7.5948 8.0518 8.0518 k = 0.2609 0.2609-0.0000 ( 21401 PWs) bands (ev): -42.1108 -42.1108 -42.1092 -42.1092 -26.6225 -26.6225 -26.6175 -26.6175 -10.3378 -10.3378 -10.3165 -10.3165 -10.0916 -10.0916 -10.0721 -10.0721 -10.0484 -10.0484 -10.0229 -10.0229 -6.0928 -6.0928 -5.9022 -5.9022 1.3644 1.3644 1.5874 1.5874 1.8485 1.8485 2.1483 2.1483 2.5254 2.5254 2.9327 2.9327 6.5121 6.5121 6.9752 6.9752 7.6222 7.6222 8.0809 8.0809 k = 0.2500 0.2500-0.0000 ( 21407 PWs) bands (ev): -42.1109 -42.1109 -42.1091 -42.1091 -26.6228 -26.6228 -26.6174 -26.6174 -10.3380 -10.3380 -10.3150 -10.3150 -10.0907 -10.0907 -10.0729 -10.0729 -10.0468 -10.0468 -10.0224 -10.0224 -6.1055 -6.1055 -5.9015 -5.9015 1.3697 1.3697 1.6142 1.6142 1.8656 1.8656 2.1462 2.1462 2.5599 2.5599 2.9651 2.9651 6.5356 6.5356 6.9866 6.9866 7.6373 7.6373 7.9867 7.9867 k = 0.2391 0.2391-0.0000 ( 21395 PWs) bands (ev): -42.1109 -42.1109 -42.1091 -42.1091 -26.6231 -26.6231 -26.6173 -26.6173 -10.3383 -10.3383 -10.3135 -10.3135 -10.0897 -10.0897 -10.0737 -10.0737 -10.0452 -10.0452 -10.0220 -10.0220 -6.1183 -6.1183 -5.9012 -5.9012 1.3743 1.3743 1.6409 1.6409 1.8848 1.8848 2.1482 2.1482 2.5957 2.5957 2.9968 2.9968 6.5541 6.5541 6.9957 6.9957 7.6314 7.6314 7.8902 7.8902 k = 0.2283 0.2283-0.0000 ( 21409 PWs) bands (ev): -42.1110 -42.1110 -42.1090 -42.1090 -26.6233 -26.6233 -26.6172 -26.6172 -10.3385 -10.3385 -10.3120 -10.3120 -10.0887 -10.0887 -10.0743 -10.0743 -10.0436 -10.0436 -10.0216 -10.0216 -6.1313 -6.1313 -5.9011 -5.9011 1.3781 1.3781 1.6668 1.6668 1.9055 1.9055 2.1552 2.1552 2.6325 2.6325 3.0275 3.0275 6.5660 6.5660 7.0017 7.0017 7.5887 7.5887 7.8292 7.8292 k = 0.2174 0.2174-0.0000 ( 21417 PWs) bands (ev): -42.1111 -42.1111 -42.1090 -42.1090 -26.6236 -26.6236 -26.6171 -26.6171 -10.3386 -10.3386 -10.3105 -10.3105 -10.0877 -10.0877 -10.0749 -10.0749 -10.0420 -10.0420 -10.0213 -10.0213 -6.1444 -6.1444 -5.9014 -5.9014 1.3811 1.3811 1.6918 1.6918 1.9272 1.9272 2.1678 2.1678 2.6704 2.6704 3.0570 3.0570 6.5699 6.5699 7.0039 7.0039 7.5086 7.5086 7.8068 7.8068 k = 0.2065 0.2065-0.0000 ( 21417 PWs) bands (ev): -42.1111 -42.1111 -42.1089 -42.1089 -26.6238 -26.6238 -26.6170 -26.6170 -10.3388 -10.3388 -10.3089 -10.3089 -10.0867 -10.0867 -10.0754 -10.0754 -10.0405 -10.0405 -10.0209 -10.0209 -6.1576 -6.1576 -5.9020 -5.9020 1.3831 1.3831 1.7157 1.7157 1.9497 1.9497 2.1864 2.1864 2.7092 2.7092 3.0850 3.0850 6.5646 6.5646 7.0015 7.0015 7.4111 7.4111 7.8043 7.8043 k = 0.1957 0.1957-0.0000 ( 21409 PWs) bands (ev): -42.1112 -42.1112 -42.1088 -42.1088 -26.6240 -26.6240 -26.6169 -26.6169 -10.3389 -10.3389 -10.3073 -10.3073 -10.0858 -10.0858 -10.0756 -10.0756 -10.0390 -10.0390 -10.0206 -10.0206 -6.1707 -6.1707 -5.9028 -5.9028 1.3841 1.3841 1.7386 1.7386 1.9728 1.9728 2.2107 2.2107 2.7490 2.7490 3.1114 3.1114 6.5494 6.5494 6.9939 6.9939 7.3097 7.3097 7.8096 7.8096 k = 0.1848 0.1848-0.0000 ( 21407 PWs) bands (ev): -42.1112 -42.1112 -42.1088 -42.1088 -26.6243 -26.6243 -26.6168 -26.6168 -10.3389 -10.3389 -10.3058 -10.3058 -10.0850 -10.0850 -10.0757 -10.0757 -10.0376 -10.0376 -10.0202 -10.0202 -6.1837 -6.1837 -5.9039 -5.9039 1.3838 1.3838 1.7607 1.7607 1.9966 1.9966 2.2400 2.2400 2.7897 2.7897 3.1359 3.1359 6.5240 6.5240 6.9804 6.9804 7.2096 7.2096 7.8185 7.8185 k = 0.1739 0.1739-0.0000 ( 21389 PWs) bands (ev): -42.1113 -42.1113 -42.1087 -42.1087 -26.6245 -26.6245 -26.6167 -26.6167 -10.3390 -10.3390 -10.3042 -10.3042 -10.0845 -10.0845 -10.0755 -10.0755 -10.0364 -10.0364 -10.0197 -10.0197 -6.1965 -6.1965 -5.9053 -5.9053 1.3824 1.3824 1.7824 1.7824 2.0211 2.0211 2.2734 2.2734 2.8312 2.8312 3.1585 3.1585 6.4888 6.4888 6.9607 6.9607 7.1131 7.1131 7.8297 7.8297 k = 0.1630 0.1630-0.0000 ( 21395 PWs) bands (ev): -42.1113 -42.1113 -42.1087 -42.1087 -26.6247 -26.6247 -26.6166 -26.6166 -10.3390 -10.3390 -10.3027 -10.3027 -10.0841 -10.0841 -10.0750 -10.0750 -10.0353 -10.0353 -10.0192 -10.0192 -6.2090 -6.2090 -5.9068 -5.9068 1.3797 1.3797 1.8041 1.8041 2.0464 2.0464 2.3097 2.3097 2.8735 2.8735 3.1791 3.1791 6.4445 6.4445 6.9349 6.9349 7.0214 7.0214 7.8429 7.8429 k = 0.1522 0.1522-0.0000 ( 21399 PWs) bands (ev): -42.1114 -42.1114 -42.1086 -42.1086 -26.6249 -26.6249 -26.6165 -26.6165 -10.3390 -10.3390 -10.3012 -10.3012 -10.0839 -10.0839 -10.0742 -10.0742 -10.0345 -10.0345 -10.0186 -10.0186 -6.2211 -6.2211 -5.9085 -5.9085 1.3758 1.3758 1.8262 1.8262 2.0724 2.0724 2.3474 2.3474 2.9164 2.9164 3.1976 3.1976 6.3922 6.3922 6.9029 6.9029 6.9356 6.9356 7.8578 7.8578 k = 0.1413 0.1413-0.0000 ( 21423 PWs) bands (ev): -42.1114 -42.1114 -42.1086 -42.1086 -26.6252 -26.6252 -26.6164 -26.6164 -10.3389 -10.3389 -10.2998 -10.2998 -10.0839 -10.0839 -10.0733 -10.0733 -10.0338 -10.0338 -10.0179 -10.0179 -6.2328 -6.2328 -5.9104 -5.9104 1.3709 1.3709 1.8489 1.8489 2.0991 2.0991 2.3855 2.3855 2.9599 2.9599 3.2142 3.2142 6.3332 6.3332 6.8505 6.8505 6.8713 6.8713 7.8716 7.8717 k = 0.1304 0.1304-0.0000 ( 21431 PWs) bands (ev): -42.1115 -42.1115 -42.1086 -42.1086 -26.6253 -26.6253 -26.6163 -26.6163 -10.3389 -10.3389 -10.2984 -10.2984 -10.0841 -10.0841 -10.0722 -10.0722 -10.0333 -10.0333 -10.0170 -10.0170 -6.2440 -6.2440 -5.9123 -5.9123 1.3651 1.3651 1.8723 1.8723 2.1263 2.1263 2.4225 2.4225 3.0037 3.0037 3.2290 3.2290 6.2691 6.2691 6.7771 6.7771 6.8306 6.8306 7.8184 7.8184 k = 0.1196 0.1196-0.0000 ( 21431 PWs) bands (ev): -42.1115 -42.1115 -42.1085 -42.1085 -26.6255 -26.6255 -26.6162 -26.6162 -10.3388 -10.3388 -10.2971 -10.2971 -10.0842 -10.0842 -10.0710 -10.0710 -10.0331 -10.0331 -10.0161 -10.0161 -6.2547 -6.2547 -5.9142 -5.9142 1.3587 1.3587 1.8963 1.8963 2.1538 2.1538 2.4573 2.4573 3.0476 3.0476 3.2424 3.2424 6.2013 6.2013 6.7084 6.7084 6.7892 6.7892 7.7382 7.7383 k = 0.1087 0.1087-0.0000 ( 21447 PWs) bands (ev): -42.1116 -42.1116 -42.1085 -42.1085 -26.6257 -26.6257 -26.6162 -26.6162 -10.3387 -10.3387 -10.2959 -10.2959 -10.0844 -10.0844 -10.0698 -10.0698 -10.0330 -10.0330 -10.0152 -10.0152 -6.2646 -6.2646 -5.9162 -5.9162 1.3519 1.3519 1.9208 1.9208 2.1816 2.1816 2.4887 2.4887 3.0910 3.0910 3.2549 3.2549 6.1315 6.1315 6.6458 6.6458 6.7472 6.7472 7.6626 7.6626 k = 0.0978 0.0978-0.0000 ( 21447 PWs) bands (ev): -42.1116 -42.1116 -42.1084 -42.1084 -26.6258 -26.6258 -26.6161 -26.6161 -10.3386 -10.3386 -10.2947 -10.2947 -10.0846 -10.0846 -10.0685 -10.0685 -10.0330 -10.0330 -10.0142 -10.0142 -6.2739 -6.2739 -5.9181 -5.9181 1.3451 1.3451 1.9452 1.9452 2.2094 2.2094 2.5159 2.5159 3.1330 3.1330 3.2673 3.2673 6.0612 6.0612 6.5893 6.5893 6.7058 6.7058 7.5926 7.5926 k = 0.0870 0.0870-0.0000 ( 21439 PWs) bands (ev): -42.1117 -42.1117 -42.1084 -42.1084 -26.6260 -26.6260 -26.6160 -26.6160 -10.3385 -10.3385 -10.2937 -10.2937 -10.0848 -10.0848 -10.0673 -10.0673 -10.0332 -10.0332 -10.0132 -10.0132 -6.2823 -6.2823 -5.9199 -5.9199 1.3383 1.3383 1.9692 1.9692 2.2371 2.2371 2.5381 2.5381 3.1720 3.1720 3.2810 3.2810 5.9920 5.9920 6.5391 6.5391 6.6659 6.6659 7.5287 7.5287 k = 0.0761 0.0761-0.0000 ( 21429 PWs) bands (ev): -42.1117 -42.1117 -42.1084 -42.1084 -26.6261 -26.6261 -26.6160 -26.6160 -10.3384 -10.3384 -10.2927 -10.2927 -10.0850 -10.0850 -10.0662 -10.0662 -10.0335 -10.0335 -10.0123 -10.0123 -6.2899 -6.2899 -5.9216 -5.9216 1.3318 1.3318 1.9923 1.9923 2.2646 2.2646 2.5547 2.5547 3.2055 3.2055 3.2979 3.2979 5.9255 5.9255 6.4951 6.4951 6.6287 6.6287 7.4712 7.4712 k = 0.0652 0.0652-0.0000 ( 21433 PWs) bands (ev): -42.1117 -42.1117 -42.1084 -42.1084 -26.6262 -26.6262 -26.6159 -26.6159 -10.3383 -10.3383 -10.2919 -10.2919 -10.0852 -10.0852 -10.0651 -10.0651 -10.0338 -10.0338 -10.0114 -10.0114 -6.2967 -6.2967 -5.9232 -5.9232 1.3258 1.3258 2.0137 2.0137 2.2916 2.2916 2.5657 2.5657 3.2309 3.2309 3.3199 3.3199 5.8633 5.8633 6.4572 6.4572 6.5948 6.5948 7.4206 7.4206 k = 0.0543 0.0543-0.0000 ( 21429 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6263 -26.6263 -26.6159 -26.6159 -10.3383 -10.3383 -10.2912 -10.2912 -10.0853 -10.0853 -10.0642 -10.0642 -10.0342 -10.0342 -10.0106 -10.0106 -6.3024 -6.3024 -5.9246 -5.9246 1.3205 1.3205 2.0330 2.0330 2.3178 2.3178 2.5713 2.5713 3.2482 3.2482 3.3461 3.3461 5.8070 5.8070 6.4254 6.4254 6.5651 6.5651 7.3772 7.3772 k = 0.0435 0.0435-0.0000 ( 21413 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6264 -26.6264 -26.6159 -26.6159 -10.3382 -10.3382 -10.2906 -10.2906 -10.0855 -10.0855 -10.0634 -10.0634 -10.0345 -10.0345 -10.0100 -10.0100 -6.3072 -6.3072 -5.9258 -5.9258 1.3160 1.3160 2.0496 2.0496 2.3424 2.3424 2.5721 2.5721 3.2595 3.2595 3.3729 3.3729 5.7581 5.7581 6.3995 6.3995 6.5401 6.5401 7.3412 7.3412 k = 0.0326 0.0326-0.0000 ( 21411 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3381 -10.3381 -10.2901 -10.2901 -10.0855 -10.0855 -10.0627 -10.0627 -10.0348 -10.0348 -10.0094 -10.0094 -6.3109 -6.3109 -5.9267 -5.9267 1.3123 1.3123 2.0631 2.0631 2.3647 2.3647 2.5693 2.5693 3.2671 3.2671 3.3968 3.3968 5.7182 5.7182 6.3795 6.3795 6.5201 6.5201 7.3130 7.3130 k = 0.0217 0.0217-0.0000 ( 21425 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3381 -10.3381 -10.2898 -10.2898 -10.0856 -10.0856 -10.0622 -10.0622 -10.0351 -10.0351 -10.0090 -10.0090 -6.3136 -6.3136 -5.9274 -5.9274 1.3097 1.3097 2.0730 2.0730 2.3832 2.3832 2.5646 2.5646 3.2721 3.2721 3.4155 3.4155 5.6887 5.6887 6.3653 6.3653 6.5056 6.5056 7.2926 7.2926 k = 0.0109 0.0109-0.0000 ( 21419 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3381 -10.3381 -10.2896 -10.2896 -10.0857 -10.0857 -10.0619 -10.0619 -10.0352 -10.0352 -10.0088 -10.0088 -6.3153 -6.3153 -5.9278 -5.9278 1.3081 1.3081 2.0790 2.0790 2.3957 2.3957 2.5601 2.5601 3.2750 3.2750 3.4273 3.4273 5.6704 5.6704 6.3568 6.3568 6.4968 6.4968 7.2804 7.2804 k = 0.0000 0.0000 0.0000 ( 21415 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3381 -10.3381 -10.2895 -10.2895 -10.0857 -10.0857 -10.0617 -10.0617 -10.0353 -10.0353 -10.0087 -10.0087 -6.3158 -6.3158 -5.9279 -5.9279 1.3075 1.3075 2.0810 2.0810 2.4002 2.4002 2.5583 2.5583 3.2759 3.2759 3.4314 3.4314 5.6643 5.6643 6.3540 6.3540 6.4939 6.4939 7.2763 7.2763 k = 0.0000 0.0000 0.0000 ( 21415 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3381 -10.3381 -10.2895 -10.2895 -10.0857 -10.0857 -10.0617 -10.0617 -10.0353 -10.0353 -10.0087 -10.0087 -6.3158 -6.3158 -5.9279 -5.9279 1.3075 1.3075 2.0810 2.0810 2.4002 2.4002 2.5583 2.5583 3.2759 3.2759 3.4314 3.4314 5.6643 5.6643 6.3540 6.3540 6.4939 6.4939 7.2763 7.2763 k = 0.0000 0.0000 0.0149 ( 21411 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3380 -10.3380 -10.2895 -10.2895 -10.0857 -10.0857 -10.0617 -10.0617 -10.0353 -10.0353 -10.0087 -10.0087 -6.3154 -6.3154 -5.9282 -5.9282 1.3080 1.3080 2.0809 2.0809 2.4002 2.4002 2.5567 2.5567 3.2730 3.2730 3.4313 3.4313 5.6707 5.6707 6.3562 6.3562 6.4941 6.4941 7.2757 7.2757 k = 0.0000 0.0000 0.0299 ( 21435 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3380 -10.3380 -10.2896 -10.2896 -10.0856 -10.0856 -10.0617 -10.0617 -10.0355 -10.0355 -10.0087 -10.0087 -6.3142 -6.3142 -5.9290 -5.9290 1.3093 1.3093 2.0807 2.0807 2.3999 2.3999 2.5520 2.5520 3.2645 3.2645 3.4310 3.4310 5.6900 5.6900 6.3628 6.3628 6.4947 6.4947 7.2740 7.2740 k = 0.0000 0.0000 0.0448 ( 21427 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3379 -10.3379 -10.2897 -10.2897 -10.0855 -10.0855 -10.0617 -10.0617 -10.0357 -10.0357 -10.0088 -10.0088 -6.3122 -6.3122 -5.9304 -5.9304 1.3116 1.3116 2.0803 2.0803 2.3996 2.3996 2.5441 2.5441 3.2508 3.2508 3.4306 3.4306 5.7214 5.7214 6.3737 6.3737 6.4957 6.4957 7.2712 7.2712 k = 0.0000 0.0000 0.0597 ( 21399 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3379 -10.3379 -10.2899 -10.2899 -10.0854 -10.0854 -10.0617 -10.0617 -10.0359 -10.0359 -10.0088 -10.0088 -6.3095 -6.3095 -5.9323 -5.9323 1.3148 1.3148 2.0798 2.0798 2.3991 2.3991 2.5329 2.5329 3.2330 3.2330 3.4301 3.4301 5.7643 5.7643 6.3886 6.3886 6.4971 6.4971 7.2674 7.2674 k = 0.0000 0.0000 0.0746 ( 21399 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3378 -10.3378 -10.2901 -10.2901 -10.0852 -10.0852 -10.0616 -10.0616 -10.0363 -10.0363 -10.0088 -10.0088 -6.3060 -6.3060 -5.9346 -5.9346 1.3190 1.3190 2.0791 2.0791 2.3985 2.3985 2.5184 2.5184 3.2120 3.2120 3.4294 3.4294 5.8176 5.8176 6.4075 6.4075 6.4989 6.4989 7.2626 7.2626 k = 0.0000 0.0000 0.0896 ( 21399 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3376 -10.3376 -10.2904 -10.2904 -10.0850 -10.0850 -10.0616 -10.0616 -10.0367 -10.0367 -10.0089 -10.0089 -6.3019 -6.3019 -5.9375 -5.9375 1.3241 1.3241 2.0783 2.0783 2.3978 2.3978 2.5005 2.5005 3.1890 3.1890 3.4286 3.4286 5.8803 5.8803 6.4298 6.4298 6.5010 6.5010 7.2570 7.2570 k = 0.0000 0.0000 0.1045 ( 21391 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3375 -10.3375 -10.2907 -10.2907 -10.0848 -10.0848 -10.0615 -10.0615 -10.0372 -10.0372 -10.0089 -10.0089 -6.2971 -6.2971 -5.9408 -5.9408 1.3302 1.3302 2.0775 2.0775 2.3970 2.3970 2.4792 2.4792 3.1651 3.1651 3.4277 3.4277 5.9511 5.9511 6.4552 6.4552 6.5034 6.5034 7.2506 7.2506 k = 0.0000 0.0000 0.1194 ( 21383 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3373 -10.3373 -10.2910 -10.2910 -10.0846 -10.0846 -10.0615 -10.0615 -10.0377 -10.0377 -10.0090 -10.0090 -6.2918 -6.2918 -5.9446 -5.9446 1.3373 1.3373 2.0766 2.0766 2.3961 2.3961 2.4548 2.4548 3.1412 3.1412 3.4267 3.4267 6.0289 6.0289 6.4834 6.4834 6.5060 6.5060 7.2437 7.2437 k = 0.0000 0.0000 0.1343 ( 21383 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3372 -10.3372 -10.2914 -10.2914 -10.0843 -10.0843 -10.0614 -10.0614 -10.0382 -10.0382 -10.0090 -10.0090 -6.2861 -6.2861 -5.9486 -5.9486 1.3453 1.3453 2.0758 2.0758 2.3952 2.3952 2.4274 2.4274 3.1183 3.1183 3.4257 3.4257 6.1126 6.1126 6.5088 6.5088 6.5139 6.5139 7.2363 7.2363 k = 0.0000 0.0000 0.1493 ( 21379 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3370 -10.3370 -10.2917 -10.2917 -10.0840 -10.0840 -10.0613 -10.0613 -10.0388 -10.0388 -10.0091 -10.0091 -6.2800 -6.2800 -5.9530 -5.9530 1.3542 1.3542 2.0749 2.0749 2.3942 2.3942 2.3976 2.3976 3.0969 3.0969 3.4246 3.4246 6.2011 6.2011 6.5118 6.5118 6.5463 6.5463 7.2287 7.2287 k = 0.0000 0.0000 0.1642 ( 21367 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3368 -10.3368 -10.2921 -10.2921 -10.0837 -10.0837 -10.0613 -10.0613 -10.0394 -10.0394 -10.0092 -10.0092 -6.2736 -6.2736 -5.9577 -5.9577 1.3639 1.3639 2.0742 2.0742 2.3657 2.3657 2.3933 2.3933 3.0774 3.0774 3.4236 3.4236 6.2930 6.2930 6.5149 6.5149 6.5803 6.5803 7.2210 7.2210 k = 0.0000 0.0000 0.1791 ( 21351 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3366 -10.3366 -10.2925 -10.2925 -10.0834 -10.0834 -10.0612 -10.0612 -10.0400 -10.0400 -10.0092 -10.0092 -6.2671 -6.2671 -5.9625 -5.9625 1.3743 1.3743 2.0736 2.0736 2.3326 2.3326 2.3923 2.3923 3.0600 3.0600 3.4225 3.4225 6.3868 6.3868 6.5180 6.5180 6.6162 6.6162 7.2134 7.2134 k = 0.0000 0.0000 0.1941 ( 21359 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3364 -10.3364 -10.2929 -10.2929 -10.0831 -10.0831 -10.0611 -10.0611 -10.0405 -10.0405 -10.0093 -10.0093 -6.2606 -6.2606 -5.9673 -5.9673 1.3852 1.3852 2.0732 2.0732 2.2990 2.2990 2.3914 2.3914 3.0448 3.0448 3.4215 3.4215 6.4795 6.4795 6.5210 6.5210 6.6555 6.6555 7.2059 7.2059 k = 0.0000 0.0000 0.2090 ( 21359 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3362 -10.3362 -10.2932 -10.2932 -10.0828 -10.0828 -10.0611 -10.0611 -10.0411 -10.0411 -10.0094 -10.0094 -6.2543 -6.2543 -5.9721 -5.9721 1.3964 1.3964 2.0731 2.0731 2.2658 2.2658 2.3905 2.3905 3.0318 3.0318 3.4205 3.4205 6.5239 6.5239 6.5645 6.5645 6.7034 6.7034 7.1989 7.1989 k = 0.0000 0.0000 0.2239 ( 21371 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3361 -10.3361 -10.2935 -10.2935 -10.0826 -10.0826 -10.0610 -10.0610 -10.0416 -10.0416 -10.0094 -10.0094 -6.2483 -6.2483 -5.9767 -5.9767 1.4075 1.4075 2.0735 2.0735 2.2337 2.2337 2.3897 2.3897 3.0208 3.0208 3.4197 3.4197 6.5266 6.5266 6.6307 6.6307 6.7699 6.7699 7.1925 7.1925 k = 0.0000 0.0000 0.2388 ( 21395 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3359 -10.3359 -10.2938 -10.2938 -10.0823 -10.0823 -10.0610 -10.0610 -10.0421 -10.0421 -10.0095 -10.0095 -6.2428 -6.2428 -5.9809 -5.9809 1.4182 1.4182 2.0744 2.0744 2.2036 2.2036 2.3890 2.3890 3.0118 3.0118 3.4189 3.4189 6.5291 6.5291 6.6747 6.6747 6.8570 6.8570 7.1868 7.1868 k = 0.0000 0.0000 0.2538 ( 21419 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3358 -10.3358 -10.2941 -10.2941 -10.0821 -10.0821 -10.0609 -10.0609 -10.0425 -10.0425 -10.0095 -10.0095 -6.2379 -6.2379 -5.9847 -5.9847 1.4280 1.4280 2.0761 2.0761 2.1763 2.1763 2.3884 2.3884 3.0047 3.0047 3.4182 3.4182 6.5312 6.5312 6.7045 6.7045 6.9553 6.9553 7.1819 7.1819 k = 0.0000 0.0000 0.2687 ( 21411 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3357 -10.3357 -10.2943 -10.2943 -10.0819 -10.0819 -10.0609 -10.0609 -10.0428 -10.0428 -10.0095 -10.0095 -6.2339 -6.2339 -5.9878 -5.9878 1.4364 1.4364 2.0789 2.0789 2.1524 2.1524 2.3879 2.3879 2.9992 2.9992 3.4177 3.4177 6.5329 6.5329 6.7257 6.7257 7.0571 7.0571 7.1779 7.1779 k = 0.0000 0.0000 0.2836 ( 21427 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3356 -10.3356 -10.2944 -10.2944 -10.0818 -10.0818 -10.0609 -10.0609 -10.0430 -10.0430 -10.0096 -10.0096 -6.2309 -6.2309 -5.9902 -5.9902 1.4428 1.4428 2.0829 2.0829 2.1326 2.1326 2.3875 2.3875 2.9954 2.9954 3.4173 3.4173 6.5341 6.5341 6.7403 6.7403 7.1567 7.1567 7.1750 7.1750 k = 0.0000 0.0000 0.2985 ( 21415 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6158 -26.6158 -10.3356 -10.3356 -10.2945 -10.2945 -10.0817 -10.0817 -10.0608 -10.0608 -10.0432 -10.0432 -10.0096 -10.0096 -6.2291 -6.2291 -5.9917 -5.9917 1.4469 1.4469 2.0882 2.0882 2.1175 2.1175 2.3873 2.3873 2.9931 2.9931 3.4171 3.4171 6.5349 6.5349 6.7489 6.7489 7.1733 7.1733 7.2429 7.2429 k = 0.0000 0.0000 0.3135 ( 21408 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6159 -26.6159 -10.3356 -10.3356 -10.2945 -10.2945 -10.0817 -10.0817 -10.0608 -10.0608 -10.0432 -10.0432 -10.0096 -10.0096 -6.2285 -6.2285 -5.9922 -5.9922 1.4483 1.4483 2.0918 2.0918 2.1106 2.1106 2.3873 2.3873 2.9924 2.9924 3.4170 3.4170 6.5352 6.5352 6.7518 6.7518 7.1727 7.1727 7.2832 7.2832 k = 0.0000 0.0000 0.3135 ( 21408 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6159 -26.6159 -10.3356 -10.3356 -10.2945 -10.2945 -10.0817 -10.0817 -10.0608 -10.0608 -10.0432 -10.0432 -10.0096 -10.0096 -6.2285 -6.2285 -5.9922 -5.9922 1.4483 1.4483 2.0918 2.0918 2.1106 2.1106 2.3873 2.3873 2.9924 2.9924 3.4170 3.4170 6.5352 6.5352 6.7518 6.7518 7.1727 7.1727 7.2832 7.2832 k = 0.0000 0.0152 0.3135 ( 21420 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6159 -26.6159 -10.3356 -10.3356 -10.2946 -10.2946 -10.0817 -10.0817 -10.0610 -10.0610 -10.0431 -10.0431 -10.0097 -10.0097 -6.2280 -6.2280 -5.9919 -5.9919 1.4479 1.4479 2.0612 2.0612 2.1361 2.1361 2.3906 2.3906 2.9910 2.9910 3.4141 3.4141 6.5391 6.5391 6.7537 6.7537 7.1763 7.1763 7.2881 7.2881 k = 0.0000 0.0303 0.3135 ( 21412 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6159 -26.6159 -10.3356 -10.3356 -10.2948 -10.2948 -10.0817 -10.0817 -10.0615 -10.0615 -10.0427 -10.0427 -10.0099 -10.0099 -6.2267 -6.2267 -5.9912 -5.9912 1.4469 1.4469 2.0188 2.0188 2.1637 2.1637 2.4003 2.4003 2.9868 2.9868 3.4056 3.4056 6.5509 6.5509 6.7593 6.7593 7.1870 7.1870 7.3027 7.3027 k = 0.0000 0.0455 0.3135 ( 21384 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6264 -26.6264 -26.6159 -26.6159 -10.3357 -10.3357 -10.2951 -10.2951 -10.0817 -10.0817 -10.0623 -10.0623 -10.0421 -10.0421 -10.0102 -10.0102 -6.2245 -6.2245 -5.9899 -5.9899 1.4450 1.4450 1.9728 1.9728 2.1863 2.1863 2.4151 2.4151 2.9799 2.9799 3.3921 3.3921 6.5697 6.5697 6.7680 6.7680 7.2048 7.2048 7.3272 7.3272 k = 0.0000 0.0606 0.3135 ( 21384 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6264 -26.6264 -26.6159 -26.6159 -10.3358 -10.3358 -10.2955 -10.2955 -10.0817 -10.0817 -10.0632 -10.0632 -10.0414 -10.0414 -10.0106 -10.0106 -6.2215 -6.2215 -5.9883 -5.9883 1.4421 1.4421 1.9245 1.9245 2.2045 2.2045 2.4332 2.4332 2.9702 2.9702 3.3745 3.3745 6.5944 6.5944 6.7793 6.7793 7.2294 7.2294 7.3609 7.3609 k = 0.0000 0.0758 0.3135 ( 21386 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6263 -26.6263 -26.6159 -26.6159 -10.3360 -10.3360 -10.2961 -10.2961 -10.0816 -10.0816 -10.0644 -10.0644 -10.0406 -10.0406 -10.0112 -10.0112 -6.2176 -6.2176 -5.9861 -5.9861 1.4378 1.4378 1.8749 1.8749 2.2194 2.2194 2.4524 2.4524 2.9580 2.9580 3.3540 3.3540 6.6239 6.6239 6.7922 6.7922 7.2594 7.2594 7.4013 7.4013 k = 0.0000 0.0909 0.3135 ( 21372 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6262 -26.6262 -26.6160 -26.6160 -10.3362 -10.3362 -10.2968 -10.2968 -10.0817 -10.0817 -10.0656 -10.0656 -10.0398 -10.0398 -10.0119 -10.0119 -6.2129 -6.2129 -5.9836 -5.9836 1.4318 1.4318 1.8250 1.8250 2.2321 2.2321 2.4708 2.4708 2.9437 2.9437 3.3317 3.3317 6.6567 6.6567 6.8058 6.8058 7.2891 7.2891 7.4336 7.4336 k = 0.0000 0.1061 0.3135 ( 21382 PWs) bands (ev): -42.1117 -42.1117 -42.1084 -42.1084 -26.6261 -26.6261 -26.6160 -26.6160 -10.3364 -10.3364 -10.2976 -10.2976 -10.0817 -10.0817 -10.0669 -10.0669 -10.0390 -10.0390 -10.0126 -10.0126 -6.2075 -6.2075 -5.9807 -5.9807 1.4234 1.4234 1.7757 1.7757 2.2435 2.2435 2.4864 2.4864 2.9279 2.9279 3.3088 3.3088 6.6917 6.6917 6.8190 6.8190 7.3043 7.3043 7.4509 7.4509 k = 0.0000 0.1212 0.3135 ( 21406 PWs) bands (ev): -42.1117 -42.1117 -42.1084 -42.1084 -26.6260 -26.6260 -26.6161 -26.6161 -10.3367 -10.3367 -10.2985 -10.2985 -10.0818 -10.0818 -10.0681 -10.0681 -10.0382 -10.0382 -10.0134 -10.0134 -6.2012 -6.2012 -5.9774 -5.9774 1.4119 1.4119 1.7281 1.7281 2.2542 2.2542 2.4979 2.4979 2.9116 2.9116 3.2863 3.2863 6.7275 6.7275 6.8308 6.8308 7.2934 7.2934 7.4914 7.4914 k = 0.0000 0.1364 0.3135 ( 21402 PWs) bands (ev): -42.1116 -42.1116 -42.1084 -42.1084 -26.6258 -26.6258 -26.6161 -26.6161 -10.3369 -10.3369 -10.2995 -10.2995 -10.0820 -10.0820 -10.0693 -10.0693 -10.0375 -10.0375 -10.0142 -10.0142 -6.1942 -6.1942 -5.9738 -5.9738 1.3965 1.3965 1.6831 1.6831 2.2644 2.2644 2.5041 2.5041 2.8958 2.8958 3.2648 3.2648 6.7631 6.7631 6.8404 6.8404 7.2678 7.2678 7.5557 7.5557 k = 0.0000 0.1515 0.3135 ( 21400 PWs) bands (ev): -42.1116 -42.1116 -42.1085 -42.1085 -26.6257 -26.6257 -26.6162 -26.6162 -10.3372 -10.3372 -10.3006 -10.3006 -10.0823 -10.0823 -10.0705 -10.0705 -10.0369 -10.0369 -10.0151 -10.0151 -6.1866 -6.1866 -5.9701 -5.9701 1.3765 1.3765 1.6416 1.6416 2.2742 2.2742 2.5046 2.5046 2.8817 2.8817 3.2448 3.2448 6.7966 6.7966 6.8476 6.8476 7.2396 7.2396 7.6351 7.6351 k = 0.0000 0.1667 0.3135 ( 21402 PWs) bands (ev): -42.1115 -42.1115 -42.1085 -42.1085 -26.6255 -26.6255 -26.6163 -26.6163 -10.3376 -10.3376 -10.3018 -10.3018 -10.0827 -10.0827 -10.0715 -10.0715 -10.0364 -10.0364 -10.0159 -10.0159 -6.1783 -6.1783 -5.9661 -5.9661 1.3513 1.3513 1.6040 1.6040 2.2838 2.2838 2.4996 2.4996 2.8700 2.8700 3.2264 3.2264 6.8214 6.8214 6.8573 6.8573 7.2149 7.2149 7.7260 7.7260 k = 0.0000 0.1818 0.3135 ( 21396 PWs) bands (ev): -42.1115 -42.1115 -42.1085 -42.1085 -26.6253 -26.6253 -26.6164 -26.6164 -10.3379 -10.3379 -10.3031 -10.3031 -10.0832 -10.0832 -10.0725 -10.0725 -10.0359 -10.0359 -10.0167 -10.0167 -6.1694 -6.1694 -5.9620 -5.9620 1.3212 1.3212 1.5701 1.5701 2.2927 2.2927 2.4902 2.4902 2.8609 2.8609 3.2095 3.2095 6.8247 6.8247 6.8809 6.8809 7.1969 7.1969 7.8262 7.8262 k = 0.0000 0.1970 0.3135 ( 21394 PWs) bands (ev): -42.1114 -42.1114 -42.1086 -42.1086 -26.6251 -26.6251 -26.6165 -26.6165 -10.3382 -10.3382 -10.3045 -10.3045 -10.0838 -10.0838 -10.0733 -10.0733 -10.0355 -10.0355 -10.0175 -10.0175 -6.1600 -6.1600 -5.9578 -5.9578 1.2870 1.2870 1.5391 1.5391 2.3005 2.3005 2.4784 2.4784 2.8540 2.8540 3.1941 3.1941 6.8131 6.8131 6.9111 6.9111 7.1872 7.1872 7.9347 7.9347 k = 0.0000 0.2121 0.3135 ( 21406 PWs) bands (ev): -42.1114 -42.1114 -42.1086 -42.1086 -26.6249 -26.6249 -26.6166 -26.6166 -10.3386 -10.3386 -10.3059 -10.3059 -10.0845 -10.0845 -10.0740 -10.0740 -10.0353 -10.0353 -10.0182 -10.0182 -6.1500 -6.1500 -5.9537 -5.9537 1.2499 1.2499 1.5098 1.5098 2.3067 2.3067 2.4666 2.4666 2.8486 2.8486 3.1799 3.1799 6.7939 6.7939 6.9413 6.9413 7.1858 7.1858 8.0502 8.0502 k = 0.0000 0.2273 0.3135 ( 21408 PWs) bands (ev): -42.1113 -42.1113 -42.1087 -42.1087 -26.6247 -26.6247 -26.6167 -26.6167 -10.3389 -10.3389 -10.3075 -10.3075 -10.0853 -10.0853 -10.0747 -10.0747 -10.0351 -10.0351 -10.0188 -10.0188 -6.1397 -6.1397 -5.9496 -5.9496 1.2113 1.2113 1.4807 1.4807 2.3106 2.3106 2.4573 2.4573 2.8439 2.8439 3.1668 3.1668 6.7701 6.7701 6.9699 6.9699 7.1915 7.1915 8.1611 8.1611 k = 0.0000 0.2424 0.3135 ( 21414 PWs) bands (ev): -42.1113 -42.1113 -42.1088 -42.1088 -26.6245 -26.6245 -26.6168 -26.6168 -10.3392 -10.3392 -10.3091 -10.3091 -10.0861 -10.0861 -10.0753 -10.0753 -10.0349 -10.0349 -10.0194 -10.0194 -6.1289 -6.1289 -5.9456 -5.9456 1.1723 1.1723 1.4510 1.4510 2.3117 2.3117 2.4523 2.4523 2.8393 2.8393 3.1544 3.1544 6.7439 6.7439 6.9960 6.9960 7.2029 7.2029 8.1498 8.1498 k = 0.0000 0.2576 0.3135 ( 21416 PWs) bands (ev): -42.1112 -42.1112 -42.1088 -42.1088 -26.6243 -26.6243 -26.6169 -26.6169 -10.3396 -10.3396 -10.3107 -10.3107 -10.0870 -10.0870 -10.0759 -10.0759 -10.0348 -10.0348 -10.0199 -10.0199 -6.1179 -6.1179 -5.9419 -5.9419 1.1339 1.1339 1.4198 1.4198 2.3105 2.3105 2.4524 2.4524 2.8343 2.8343 3.1425 3.1425 6.7172 6.7172 7.0189 7.0189 7.2186 7.2186 8.1017 8.1017 k = 0.0000 0.2727 0.3135 ( 21402 PWs) bands (ev): -42.1112 -42.1112 -42.1089 -42.1089 -26.6240 -26.6240 -26.6171 -26.6171 -10.3398 -10.3398 -10.3124 -10.3124 -10.0878 -10.0878 -10.0765 -10.0765 -10.0348 -10.0348 -10.0204 -10.0204 -6.1066 -6.1066 -5.9384 -5.9384 1.0968 1.0968 1.3868 1.3868 2.3082 2.3082 2.4570 2.4570 2.8287 2.8287 3.1308 3.1308 6.6915 6.6915 7.0378 7.0378 7.2377 7.2377 8.0472 8.0472 k = 0.0000 0.2879 0.3135 ( 21394 PWs) bands (ev): -42.1111 -42.1111 -42.1089 -42.1089 -26.6238 -26.6238 -26.6172 -26.6172 -10.3401 -10.3401 -10.3141 -10.3141 -10.0885 -10.0885 -10.0772 -10.0772 -10.0347 -10.0347 -10.0208 -10.0208 -6.0951 -6.0951 -5.9353 -5.9353 1.0615 1.0615 1.3521 1.3521 2.3061 2.3061 2.4649 2.4649 2.8224 2.8224 3.1190 3.1190 6.6679 6.6679 7.0518 7.0518 7.2591 7.2591 7.9929 7.9929 k = 0.0000 0.3030 0.3135 ( 21410 PWs) bands (ev): -42.1110 -42.1110 -42.1090 -42.1090 -26.6236 -26.6236 -26.6174 -26.6174 -10.3403 -10.3403 -10.3159 -10.3159 -10.0892 -10.0892 -10.0779 -10.0779 -10.0345 -10.0345 -10.0212 -10.0212 -6.0835 -6.0835 -5.9325 -5.9325 1.0286 1.0286 1.3158 1.3158 2.3055 2.3055 2.4750 2.4750 2.8157 2.8157 3.1070 3.1070 6.6472 6.6472 7.0603 7.0603 7.2824 7.2824 7.9416 7.9416 k = 0.0000 0.3182 0.3135 ( 21422 PWs) bands (ev): -42.1110 -42.1110 -42.1091 -42.1091 -26.6233 -26.6233 -26.6175 -26.6175 -10.3405 -10.3405 -10.3176 -10.3176 -10.0898 -10.0898 -10.0787 -10.0787 -10.0344 -10.0344 -10.0216 -10.0216 -6.0719 -6.0719 -5.9303 -5.9303 0.9985 0.9985 1.2784 1.2784 2.3070 2.3070 2.4861 2.4861 2.8087 2.8087 3.0945 3.0945 6.6298 6.6298 7.0625 7.0625 7.3071 7.3071 7.8949 7.8949 k = 0.0000 0.3333 0.3135 ( 21418 PWs) bands (ev): -42.1109 -42.1109 -42.1091 -42.1091 -26.6230 -26.6230 -26.6177 -26.6177 -10.3406 -10.3406 -10.3194 -10.3194 -10.0903 -10.0903 -10.0795 -10.0795 -10.0341 -10.0341 -10.0220 -10.0220 -6.0604 -6.0604 -5.9285 -5.9285 0.9713 0.9713 1.2402 1.2402 2.3109 2.3109 2.4974 2.4974 2.8021 2.8021 3.0813 3.0813 6.6162 6.6162 7.0580 7.0580 7.3328 7.3328 7.8536 7.8536 k = 0.0000 0.3485 0.3135 ( 21406 PWs) bands (ev): -42.1108 -42.1108 -42.1092 -42.1092 -26.6228 -26.6228 -26.6179 -26.6179 -10.3406 -10.3406 -10.3211 -10.3211 -10.0908 -10.0908 -10.0804 -10.0804 -10.0338 -10.0338 -10.0224 -10.0224 -6.0489 -6.0489 -5.9273 -5.9273 0.9473 0.9473 1.2019 1.2019 2.3172 2.3172 2.5079 2.5079 2.7963 2.7963 3.0672 3.0672 6.6067 6.6067 7.0466 7.0466 7.3591 7.3591 7.8178 7.8178 k = 0.0000 0.3636 0.3135 ( 21414 PWs) bands (ev): -42.1107 -42.1107 -42.1093 -42.1093 -26.6225 -26.6225 -26.6181 -26.6181 -10.3405 -10.3405 -10.3229 -10.3229 -10.0911 -10.0911 -10.0813 -10.0813 -10.0334 -10.0334 -10.0229 -10.0229 -6.0376 -6.0376 -5.9268 -5.9268 0.9267 0.9267 1.1639 1.1639 2.3258 2.3258 2.5168 2.5168 2.7921 2.7921 3.0522 3.0522 6.6015 6.6015 7.0288 7.0288 7.3859 7.3859 7.7873 7.7873 k = 0.0000 0.3788 0.3135 ( 21422 PWs) bands (ev): -42.1107 -42.1107 -42.1094 -42.1094 -26.6222 -26.6222 -26.6183 -26.6183 -10.3404 -10.3404 -10.3245 -10.3245 -10.0913 -10.0913 -10.0822 -10.0822 -10.0330 -10.0330 -10.0233 -10.0233 -6.0266 -6.0266 -5.9269 -5.9269 0.9097 0.9097 1.1268 1.1268 2.3365 2.3365 2.5232 2.5232 2.7902 2.7902 3.0363 3.0363 6.6005 6.6005 7.0052 7.0052 7.4128 7.4128 7.7615 7.7615 k = 0.0000 0.3939 0.3135 ( 21416 PWs) bands (ev): -42.1106 -42.1106 -42.1094 -42.1094 -26.6220 -26.6220 -26.6185 -26.6185 -10.3402 -10.3402 -10.3262 -10.3262 -10.0914 -10.0914 -10.0832 -10.0832 -10.0325 -10.0325 -10.0238 -10.0238 -6.0159 -6.0159 -5.9278 -5.9278 0.8963 0.8963 1.0910 1.0910 2.3490 2.3490 2.5265 2.5265 2.7914 2.7914 3.0194 3.0194 6.6039 6.6039 6.9768 6.9768 7.4397 7.4397 7.7393 7.7393 k = 0.0000 0.4091 0.3135 ( 21440 PWs) bands (ev): -42.1105 -42.1105 -42.1095 -42.1095 -26.6217 -26.6217 -26.6187 -26.6187 -10.3399 -10.3399 -10.3278 -10.3278 -10.0914 -10.0914 -10.0841 -10.0841 -10.0319 -10.0319 -10.0243 -10.0243 -6.0055 -6.0055 -5.9293 -5.9293 0.8867 0.8867 1.0571 1.0571 2.3630 2.3630 2.5262 2.5262 2.7960 2.7960 3.0016 3.0016 6.6116 6.6116 6.9449 6.9449 7.4663 7.4663 7.7197 7.7197 k = 0.0000 0.4242 0.3135 ( 21442 PWs) bands (ev): -42.1104 -42.1104 -42.1096 -42.1096 -26.6214 -26.6214 -26.6189 -26.6189 -10.3394 -10.3394 -10.3293 -10.3293 -10.0912 -10.0912 -10.0850 -10.0850 -10.0313 -10.0313 -10.0249 -10.0249 -5.9956 -5.9956 -5.9316 -5.9316 0.8809 0.8809 1.0253 1.0253 2.3782 2.3782 2.5222 2.5222 2.8042 2.8042 2.9830 2.9830 6.6235 6.6235 6.9107 6.9107 7.4924 7.4924 7.7017 7.7017 k = 0.0000 0.4394 0.3135 ( 21434 PWs) bands (ev): -42.1103 -42.1103 -42.1097 -42.1097 -26.6212 -26.6212 -26.6191 -26.6191 -10.3389 -10.3389 -10.3308 -10.3308 -10.0910 -10.0910 -10.0859 -10.0859 -10.0307 -10.0307 -10.0255 -10.0255 -5.9862 -5.9862 -5.9347 -5.9347 0.8790 0.8790 0.9960 0.9960 2.3943 2.3943 2.5148 2.5148 2.8157 2.8157 2.9637 2.9637 6.6394 6.6394 6.8752 6.8752 7.5178 7.5178 7.6843 7.6843 k = 0.0000 0.4545 0.3135 ( 21426 PWs) bands (ev): -42.1103 -42.1103 -42.1098 -42.1098 -26.6209 -26.6209 -26.6194 -26.6194 -10.3383 -10.3383 -10.3321 -10.3321 -10.0907 -10.0907 -10.0868 -10.0868 -10.0301 -10.0301 -10.0261 -10.0261 -5.9774 -5.9774 -5.9386 -5.9386 0.8809 0.8809 0.9695 0.9695 2.4109 2.4109 2.5044 2.5044 2.8300 2.8300 2.9439 2.9439 6.6591 6.6591 6.8394 6.8394 7.5424 7.5424 7.6668 7.6668 k = 0.0000 0.4697 0.3135 ( 21412 PWs) bands (ev): -42.1102 -42.1102 -42.1098 -42.1098 -26.6206 -26.6206 -26.6196 -26.6196 -10.3375 -10.3375 -10.3334 -10.3334 -10.0902 -10.0902 -10.0876 -10.0876 -10.0294 -10.0294 -10.0267 -10.0267 -5.9692 -5.9692 -5.9432 -5.9432 0.8866 0.8866 0.9461 0.9461 2.4279 2.4279 2.4916 2.4916 2.8465 2.8465 2.9238 2.9238 6.6825 6.6825 6.8042 6.8042 7.5660 7.5660 7.6488 7.6488 k = 0.0000 0.4848 0.3135 ( 21402 PWs) bands (ev): -42.1101 -42.1101 -42.1099 -42.1099 -26.6204 -26.6204 -26.6199 -26.6199 -10.3366 -10.3366 -10.3346 -10.3346 -10.0897 -10.0897 -10.0884 -10.0884 -10.0287 -10.0287 -10.0274 -10.0274 -5.9616 -5.9616 -5.9486 -5.9486 0.8961 0.8961 0.9259 0.9259 2.4448 2.4448 2.4771 2.4771 2.8646 2.8646 2.9036 2.9036 6.7090 6.7090 6.7704 6.7704 7.5885 7.5885 7.6298 7.6298 k = 0.0000 0.5000 0.3135 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3357 -10.3357 -10.3357 -10.3357 -10.0891 -10.0891 -10.0891 -10.0891 -10.0280 -10.0280 -10.0280 -10.0280 -5.9548 -5.9548 -5.9548 -5.9548 0.9092 0.9092 0.9092 0.9092 2.4614 2.4614 2.4614 2.4614 2.8838 2.8838 2.8838 2.8838 6.7385 6.7385 6.7385 6.7385 7.6097 7.6097 7.6097 7.6097 k = 0.0000 0.5000 0.3135 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3357 -10.3357 -10.3357 -10.3357 -10.0891 -10.0891 -10.0891 -10.0891 -10.0280 -10.0280 -10.0280 -10.0280 -5.9548 -5.9548 -5.9548 -5.9548 0.9092 0.9092 0.9092 0.9092 2.4614 2.4614 2.4614 2.4614 2.8838 2.8838 2.8838 2.8838 6.7385 6.7385 6.7385 6.7385 7.6097 7.6097 7.6097 7.6097 k = 0.0152 0.5000 0.3135 ( 21416 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3358 -10.3358 -10.3355 -10.3355 -10.0902 -10.0902 -10.0880 -10.0880 -10.0291 -10.0291 -10.0271 -10.0271 -5.9547 -5.9547 -5.9547 -5.9547 0.9088 0.9088 0.9113 0.9113 2.4503 2.4503 2.4692 2.4692 2.8733 2.8733 2.8905 2.8905 6.7405 6.7405 6.7409 6.7409 7.6140 7.6140 7.6146 7.6146 k = 0.0303 0.5000 0.3135 ( 21420 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3358 -10.3358 -10.3354 -10.3354 -10.0912 -10.0912 -10.0869 -10.0869 -10.0302 -10.0302 -10.0263 -10.0263 -5.9545 -5.9545 -5.9545 -5.9545 0.9101 0.9101 0.9151 0.9151 2.4359 2.4359 2.4739 2.4739 2.8592 2.8592 2.8936 2.8936 6.7469 6.7469 6.7478 6.7478 7.6276 7.6276 7.6288 7.6288 k = 0.0455 0.5000 0.3135 ( 21420 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3359 -10.3359 -10.3352 -10.3352 -10.0922 -10.0922 -10.0857 -10.0857 -10.0314 -10.0314 -10.0256 -10.0256 -5.9542 -5.9542 -5.9542 -5.9542 0.9131 0.9131 0.9205 0.9205 2.4184 2.4184 2.4752 2.4752 2.8416 2.8416 2.8932 2.8932 6.7574 6.7574 6.7587 6.7587 7.6503 7.6503 7.6521 7.6521 k = 0.0606 0.5000 0.3135 ( 21432 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3359 -10.3359 -10.3350 -10.3350 -10.0932 -10.0932 -10.0845 -10.0845 -10.0328 -10.0328 -10.0249 -10.0249 -5.9538 -5.9538 -5.9538 -5.9538 0.9176 0.9176 0.9277 0.9277 2.3976 2.3976 2.4733 2.4733 2.8210 2.8210 2.8895 2.8895 6.7716 6.7716 6.7734 6.7734 7.6822 7.6822 7.6846 7.6846 k = 0.0758 0.5000 0.3135 ( 21424 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3358 -10.3358 -10.3348 -10.3348 -10.0941 -10.0941 -10.0834 -10.0834 -10.0342 -10.0342 -10.0244 -10.0244 -5.9533 -5.9533 -5.9532 -5.9532 0.9237 0.9237 0.9365 0.9365 2.3738 2.3738 2.4680 2.4680 2.7977 2.7977 2.8828 2.8828 6.7890 6.7890 6.7912 6.7912 7.7233 7.7233 7.7262 7.7262 k = 0.0909 0.5000 0.3135 ( 21420 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6200 -26.6200 -26.6200 -26.6200 -10.3358 -10.3358 -10.3346 -10.3346 -10.0950 -10.0950 -10.0822 -10.0822 -10.0357 -10.0357 -10.0240 -10.0240 -5.9526 -5.9526 -5.9526 -5.9526 0.9314 0.9314 0.9469 0.9469 2.3470 2.3470 2.4594 2.4594 2.7723 2.7723 2.8734 2.8734 6.8090 6.8090 6.8117 6.8117 7.7731 7.7731 7.7765 7.7765 k = 0.1061 0.5000 0.3135 ( 21420 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6200 -26.6200 -26.6200 -26.6200 -10.3357 -10.3357 -10.3343 -10.3343 -10.0958 -10.0958 -10.0809 -10.0809 -10.0373 -10.0373 -10.0238 -10.0238 -5.9519 -5.9519 -5.9518 -5.9518 0.9404 0.9404 0.9590 0.9590 2.3174 2.3174 2.4474 2.4474 2.7454 2.7454 2.8616 2.8616 6.8312 6.8312 6.8342 6.8342 7.8315 7.8315 7.8352 7.8352 k = 0.1212 0.5000 0.3135 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6200 -26.6200 -26.6200 -26.6200 -10.3356 -10.3356 -10.3341 -10.3341 -10.0966 -10.0966 -10.0797 -10.0797 -10.0389 -10.0389 -10.0236 -10.0236 -5.9510 -5.9510 -5.9510 -5.9510 0.9508 0.9508 0.9725 0.9725 2.2854 2.2854 2.4319 2.4319 2.7175 2.7175 2.8478 2.8478 6.8549 6.8549 6.8583 6.8583 7.8977 7.8977 7.9012 7.9012 k = 0.1364 0.5000 0.3135 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6199 -26.6199 -26.6199 -26.6199 -10.3355 -10.3355 -10.3338 -10.3338 -10.0973 -10.0973 -10.0785 -10.0785 -10.0406 -10.0406 -10.0235 -10.0235 -5.9501 -5.9501 -5.9501 -5.9501 0.9625 0.9625 0.9875 0.9875 2.2512 2.2512 2.4132 2.4132 2.6892 2.6892 2.8322 2.8322 6.8798 6.8798 6.8836 6.8836 7.9708 7.9708 7.9728 7.9728 k = 0.1515 0.5000 0.3135 ( 21416 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6199 -26.6199 -26.6199 -26.6199 -10.3354 -10.3354 -10.3336 -10.3336 -10.0979 -10.0979 -10.0772 -10.0772 -10.0424 -10.0424 -10.0235 -10.0235 -5.9491 -5.9491 -5.9490 -5.9490 0.9754 0.9754 1.0040 1.0040 2.2151 2.2151 2.3913 2.3913 2.6610 2.6610 2.8150 2.8150 6.9054 6.9054 6.9096 6.9096 8.0456 8.0456 8.0493 8.0493 k = 0.1667 0.5000 0.3135 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6199 -26.6199 -26.6199 -26.6199 -10.3353 -10.3353 -10.3333 -10.3333 -10.0985 -10.0985 -10.0760 -10.0760 -10.0442 -10.0442 -10.0236 -10.0236 -5.9480 -5.9480 -5.9479 -5.9479 0.9892 0.9892 1.0216 1.0216 2.1776 2.1776 2.3666 2.3666 2.6330 2.6330 2.7964 2.7964 6.9314 6.9314 6.9361 6.9361 8.0986 8.0986 8.1291 8.1291 k = 0.1818 0.5000 0.3135 ( 21388 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6198 -26.6198 -26.6198 -26.6198 -10.3351 -10.3351 -10.3331 -10.3331 -10.0990 -10.0990 -10.0747 -10.0747 -10.0460 -10.0460 -10.0238 -10.0238 -5.9468 -5.9468 -5.9468 -5.9468 1.0040 1.0040 1.0405 1.0405 2.1392 2.1392 2.3395 2.3395 2.6054 2.6054 2.7765 2.7765 6.9577 6.9577 6.9627 6.9627 8.0942 8.0942 8.1512 8.1512 k = 0.1970 0.5000 0.3135 ( 21400 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6198 -26.6198 -26.6198 -26.6198 -10.3350 -10.3350 -10.3328 -10.3328 -10.0993 -10.0993 -10.0735 -10.0735 -10.0479 -10.0479 -10.0241 -10.0241 -5.9456 -5.9456 -5.9456 -5.9456 1.0195 1.0195 1.0604 1.0604 2.1002 2.1002 2.3109 2.3109 2.5782 2.5782 2.7556 2.7556 6.9839 6.9839 6.9894 6.9894 8.0659 8.0659 8.1208 8.1208 k = 0.2121 0.5000 0.3135 ( 21376 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6197 -26.6197 -26.6197 -26.6197 -10.3348 -10.3348 -10.3326 -10.3326 -10.0996 -10.0996 -10.0722 -10.0722 -10.0498 -10.0498 -10.0245 -10.0245 -5.9443 -5.9443 -5.9443 -5.9443 1.0356 1.0356 1.0812 1.0812 2.0613 2.0613 2.2812 2.2812 2.5512 2.5512 2.7335 2.7335 7.0100 7.0100 7.0160 7.0160 8.0333 8.0333 8.0883 8.0883 k = 0.2273 0.5000 0.3135 ( 21368 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6197 -26.6197 -26.6197 -26.6197 -10.3347 -10.3347 -10.3324 -10.3324 -10.0998 -10.0998 -10.0709 -10.0709 -10.0517 -10.0517 -10.0250 -10.0250 -5.9430 -5.9430 -5.9430 -5.9430 1.0521 1.0521 1.1026 1.1026 2.0228 2.0228 2.2514 2.2514 2.5242 2.5242 2.7105 2.7105 7.0357 7.0357 7.0422 7.0422 8.0000 8.0000 8.0558 8.0558 k = 0.2424 0.5000 0.3135 ( 21360 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6196 -26.6196 -26.6196 -26.6196 -10.3345 -10.3345 -10.3322 -10.3322 -10.1000 -10.1000 -10.0697 -10.0697 -10.0535 -10.0535 -10.0256 -10.0256 -5.9417 -5.9417 -5.9417 -5.9417 1.0689 1.0689 1.1245 1.1245 1.9853 1.9853 2.2220 2.2220 2.4972 2.4972 2.6865 2.6865 7.0609 7.0609 7.0680 7.0680 7.9670 7.9670 8.0237 8.0237 k = 0.2576 0.5000 0.3135 ( 21344 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6196 -26.6196 -26.6196 -26.6196 -10.3344 -10.3344 -10.3321 -10.3321 -10.1000 -10.1000 -10.0686 -10.0686 -10.0553 -10.0553 -10.0262 -10.0262 -5.9404 -5.9404 -5.9404 -5.9404 1.0856 1.0856 1.1466 1.1466 1.9493 1.9493 2.1938 2.1938 2.4698 2.4698 2.6616 2.6616 7.0855 7.0855 7.0932 7.0932 7.9346 7.9346 7.9920 7.9920 k = 0.2727 0.5000 0.3135 ( 21360 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6195 -26.6195 -26.6195 -26.6195 -10.3343 -10.3343 -10.3320 -10.3320 -10.0999 -10.0999 -10.0676 -10.0676 -10.0570 -10.0570 -10.0269 -10.0269 -5.9391 -5.9391 -5.9391 -5.9391 1.1021 1.1021 1.1685 1.1685 1.9155 1.9155 2.1673 2.1673 2.4421 2.4421 2.6359 2.6359 7.1094 7.1094 7.1176 7.1176 7.9030 7.9030 7.9608 7.9608 k = 0.2879 0.5000 0.3135 ( 21376 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6195 -26.6195 -26.6195 -26.6195 -10.3341 -10.3341 -10.3319 -10.3319 -10.0996 -10.0996 -10.0668 -10.0668 -10.0583 -10.0583 -10.0277 -10.0277 -5.9378 -5.9378 -5.9378 -5.9378 1.1182 1.1182 1.1899 1.1899 1.8844 1.8844 2.1432 2.1432 2.4139 2.4139 2.6093 2.6093 7.1324 7.1324 7.1413 7.1413 7.8722 7.8722 7.9300 7.9300 k = 0.3030 0.5000 0.3135 ( 21372 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6194 -26.6194 -26.6194 -26.6194 -10.3340 -10.3340 -10.3318 -10.3318 -10.0993 -10.0993 -10.0665 -10.0665 -10.0592 -10.0592 -10.0285 -10.0285 -5.9365 -5.9365 -5.9365 -5.9365 1.1337 1.1337 1.2102 1.2102 1.8565 1.8565 2.1218 2.1218 2.3853 2.3853 2.5821 2.5821 7.1545 7.1545 7.1640 7.1640 7.8424 7.8424 7.8995 7.8995 k = 0.3182 0.5000 0.3135 ( 21364 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6194 -26.6194 -26.6194 -26.6194 -10.3339 -10.3339 -10.3318 -10.3318 -10.0989 -10.0989 -10.0670 -10.0670 -10.0593 -10.0593 -10.0294 -10.0294 -5.9353 -5.9353 -5.9352 -5.9352 1.1485 1.1485 1.2291 1.2291 1.8327 1.8327 2.1035 2.1035 2.3562 2.3562 2.5541 2.5541 7.1757 7.1757 7.1857 7.1857 7.8135 7.8135 7.8694 7.8694 k = 0.3333 0.5000 0.3135 ( 21372 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6193 -26.6193 -26.6193 -26.6193 -10.3338 -10.3338 -10.3318 -10.3318 -10.0984 -10.0984 -10.0682 -10.0682 -10.0587 -10.0587 -10.0304 -10.0304 -5.9341 -5.9341 -5.9341 -5.9341 1.1622 1.1622 1.2459 1.2459 1.8134 1.8134 2.0886 2.0886 2.3267 2.3267 2.5256 2.5256 7.1958 7.1958 7.2064 7.2064 7.7854 7.7854 7.8396 7.8396 k = 0.3485 0.5000 0.3135 ( 21380 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6193 -26.6193 -26.6193 -26.6193 -10.3336 -10.3336 -10.3318 -10.3318 -10.0978 -10.0978 -10.0697 -10.0697 -10.0577 -10.0577 -10.0314 -10.0314 -5.9330 -5.9330 -5.9329 -5.9329 1.1749 1.1749 1.2601 1.2601 1.7994 1.7994 2.0771 2.0771 2.2971 2.2971 2.4966 2.4966 7.2150 7.2150 7.2261 7.2261 7.7583 7.7583 7.8102 7.8102 k = 0.3636 0.5000 0.3135 ( 21396 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6193 -26.6193 -26.6193 -26.6193 -10.3335 -10.3335 -10.3318 -10.3318 -10.0970 -10.0970 -10.0713 -10.0713 -10.0565 -10.0565 -10.0325 -10.0325 -5.9319 -5.9319 -5.9319 -5.9319 1.1866 1.1866 1.2713 1.2713 1.7911 1.7911 2.0688 2.0688 2.2676 2.2676 2.4672 2.4672 7.2333 7.2333 7.2448 7.2448 7.7322 7.7322 7.7813 7.7813 k = 0.3788 0.5000 0.3135 ( 21392 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6192 -26.6192 -26.6192 -26.6192 -10.3334 -10.3334 -10.3319 -10.3319 -10.0962 -10.0962 -10.0731 -10.0731 -10.0552 -10.0552 -10.0336 -10.0336 -5.9309 -5.9309 -5.9309 -5.9309 1.1971 1.1971 1.2791 1.2791 1.7888 1.7888 2.0635 2.0635 2.2389 2.2389 2.4376 2.4376 7.2506 7.2506 7.2625 7.2625 7.7072 7.7072 7.7531 7.7531 k = 0.3939 0.5000 0.3135 ( 21392 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6192 -26.6192 -26.6192 -26.6192 -10.3333 -10.3333 -10.3319 -10.3319 -10.0953 -10.0953 -10.0748 -10.0748 -10.0539 -10.0539 -10.0348 -10.0348 -5.9300 -5.9300 -5.9300 -5.9300 1.2066 1.2066 1.2835 1.2835 1.7924 1.7924 2.0599 2.0599 2.2119 2.2119 2.4079 2.4079 7.2671 7.2671 7.2791 7.2791 7.6837 7.6837 7.7259 7.7259 k = 0.4091 0.5000 0.3135 ( 21388 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6192 -26.6192 -26.6192 -26.6192 -10.3332 -10.3332 -10.3320 -10.3320 -10.0942 -10.0942 -10.0766 -10.0766 -10.0525 -10.0525 -10.0360 -10.0360 -5.9293 -5.9293 -5.9292 -5.9292 1.2152 1.2152 1.2849 1.2849 1.8017 1.8017 2.0563 2.0563 2.1886 2.1886 2.3783 2.3783 7.2826 7.2826 7.2946 7.2946 7.6618 7.6618 7.7000 7.7000 k = 0.4242 0.5000 0.3135 ( 21396 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3331 -10.3331 -10.3321 -10.3321 -10.0931 -10.0931 -10.0783 -10.0783 -10.0511 -10.0511 -10.0372 -10.0372 -5.9286 -5.9286 -5.9286 -5.9286 1.2231 1.2231 1.2837 1.2837 1.8160 1.8160 2.0495 2.0495 2.1719 2.1719 2.3490 2.3490 7.2971 7.2971 7.3086 7.3086 7.6422 7.6422 7.6757 7.6757 k = 0.4394 0.5000 0.3135 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3331 -10.3331 -10.3322 -10.3322 -10.0919 -10.0919 -10.0800 -10.0800 -10.0496 -10.0496 -10.0385 -10.0385 -5.9280 -5.9280 -5.9280 -5.9280 1.2304 1.2304 1.2804 1.2804 1.8345 1.8345 2.0363 2.0363 2.1651 2.1651 2.3202 2.3202 7.3104 7.3104 7.3210 7.3210 7.6252 7.6252 7.6535 7.6535 k = 0.4545 0.5000 0.3135 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3330 -10.3330 -10.3323 -10.3323 -10.0907 -10.0907 -10.0817 -10.0817 -10.0482 -10.0482 -10.0399 -10.0399 -5.9276 -5.9276 -5.9276 -5.9276 1.2373 1.2373 1.2757 1.2757 1.8566 1.8566 2.0162 2.0162 2.1684 2.1684 2.2922 2.2922 7.3222 7.3222 7.3312 7.3312 7.6118 7.6118 7.6341 7.6341 k = 0.4697 0.5000 0.3135 ( 21392 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3329 -10.3329 -10.3324 -10.3324 -10.0893 -10.0893 -10.0833 -10.0833 -10.0468 -10.0468 -10.0412 -10.0412 -5.9273 -5.9273 -5.9272 -5.9272 1.2441 1.2441 1.2700 1.2700 1.8814 1.8814 1.9913 1.9913 2.1796 2.1796 2.2653 2.2653 7.3318 7.3318 7.3385 7.3385 7.6026 7.6026 7.6182 7.6182 k = 0.4848 0.5000 0.3135 ( 21388 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3327 -10.3327 -10.3325 -10.3325 -10.0879 -10.0879 -10.0849 -10.0849 -10.0454 -10.0454 -10.0426 -10.0426 -5.9271 -5.9271 -5.9271 -5.9271 1.2507 1.2507 1.2638 1.2638 1.9080 1.9080 1.9640 1.9640 2.1963 2.1963 2.2400 2.2400 7.3388 7.3388 7.3424 7.3424 7.5985 7.5985 7.6065 7.6065 k = 0.5000 0.5000 0.3135 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3326 -10.3326 -10.3326 -10.3326 -10.0864 -10.0864 -10.0864 -10.0864 -10.0440 -10.0440 -10.0440 -10.0440 -5.9270 -5.9270 -5.9270 -5.9270 1.2573 1.2573 1.2573 1.2573 1.9359 1.9359 1.9359 1.9359 2.2167 2.2167 2.2167 2.2167 7.3425 7.3425 7.3425 7.3425 7.5998 7.5998 7.5998 7.5998 k = 0.5000 0.5000 0.3135 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3326 -10.3326 -10.3326 -10.3326 -10.0864 -10.0864 -10.0864 -10.0864 -10.0440 -10.0440 -10.0440 -10.0440 -5.9270 -5.9270 -5.9270 -5.9270 1.2573 1.2573 1.2573 1.2573 1.9359 1.9359 1.9359 1.9359 2.2167 2.2167 2.2167 2.2167 7.3425 7.3425 7.3425 7.3425 7.5998 7.5998 7.5998 7.5998 k = 0.4891 0.4891 0.3135 ( 21392 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3328 -10.3328 -10.3325 -10.3325 -10.0879 -10.0879 -10.0849 -10.0849 -10.0454 -10.0454 -10.0426 -10.0426 -5.9272 -5.9272 -5.9269 -5.9269 1.2506 1.2506 1.2639 1.2639 1.9075 1.9075 1.9646 1.9646 2.1959 2.1959 2.2404 2.2404 7.3372 7.3372 7.3440 7.3440 7.5978 7.5978 7.6073 7.6073 k = 0.4783 0.4783 0.3135 ( 21392 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3329 -10.3329 -10.3324 -10.3324 -10.0894 -10.0894 -10.0833 -10.0833 -10.0468 -10.0468 -10.0412 -10.0412 -5.9279 -5.9279 -5.9266 -5.9266 1.2439 1.2439 1.2704 1.2704 1.8794 1.8794 1.9937 1.9937 2.1781 2.1781 2.2667 2.2667 7.3236 7.3236 7.3468 7.3468 7.5980 7.5980 7.6230 7.6230 k = 0.4674 0.4674 0.3135 ( 21396 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6192 -26.6192 -26.6190 -26.6190 -10.3330 -10.3330 -10.3323 -10.3323 -10.0907 -10.0907 -10.0816 -10.0816 -10.0483 -10.0483 -10.0398 -10.0398 -5.9290 -5.9290 -5.9262 -5.9262 1.2371 1.2371 1.2768 1.2768 1.8516 1.8516 2.0232 2.0232 2.1635 2.1635 2.2950 2.2950 7.3032 7.3032 7.3516 7.3516 7.5994 7.5994 7.6464 7.6464 k = 0.4565 0.4565 0.3135 ( 21388 PWs) bands (ev): -42.1100 -42.1100 -42.1099 -42.1099 -26.6192 -26.6192 -26.6190 -26.6190 -10.3331 -10.3331 -10.3321 -10.3321 -10.0920 -10.0920 -10.0800 -10.0800 -10.0497 -10.0497 -10.0385 -10.0385 -5.9306 -5.9306 -5.9256 -5.9256 1.2304 1.2304 1.2831 1.2831 1.8242 1.8242 2.0531 2.0531 2.1524 2.1524 2.3253 2.3253 7.2777 7.2777 7.3581 7.3581 7.6016 7.6016 7.6763 7.6763 k = 0.4457 0.4457 0.3135 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1099 -42.1099 -26.6193 -26.6193 -26.6190 -26.6190 -10.3333 -10.3333 -10.3319 -10.3319 -10.0931 -10.0931 -10.0783 -10.0783 -10.0511 -10.0511 -10.0372 -10.0372 -5.9327 -5.9327 -5.9248 -5.9248 1.2240 1.2240 1.2893 1.2893 1.7973 1.7973 2.0832 2.0832 2.1448 2.1448 2.3571 2.3571 7.2485 7.2485 7.3665 7.3665 7.6047 7.6047 7.7116 7.7116 k = 0.4348 0.4348 0.3135 ( 21394 PWs) bands (ev): -42.1100 -42.1100 -42.1099 -42.1099 -26.6194 -26.6194 -26.6189 -26.6189 -10.3335 -10.3335 -10.3317 -10.3317 -10.0942 -10.0942 -10.0766 -10.0766 -10.0525 -10.0525 -10.0359 -10.0359 -5.9352 -5.9352 -5.9239 -5.9239 1.2181 1.2181 1.2954 1.2954 1.7714 1.7714 2.1121 2.1121 2.1420 2.1420 2.3901 2.3901 7.2167 7.2167 7.3768 7.3768 7.6089 7.6089 7.7516 7.7516 k = 0.4239 0.4239 0.3135 ( 21388 PWs) bands (ev): -42.1101 -42.1101 -42.1099 -42.1099 -26.6195 -26.6195 -26.6189 -26.6189 -10.3337 -10.3337 -10.3314 -10.3314 -10.0952 -10.0952 -10.0749 -10.0749 -10.0539 -10.0539 -10.0347 -10.0347 -5.9383 -5.9383 -5.9229 -5.9229 1.2128 1.2128 1.3013 1.3013 1.7466 1.7466 2.1302 2.1302 2.1533 2.1533 2.4242 2.4242 7.1829 7.1829 7.3888 7.3888 7.6142 7.6142 7.7961 7.7961 k = 0.4130 0.4130 0.3135 ( 21386 PWs) bands (ev): -42.1101 -42.1101 -42.1098 -42.1098 -26.6196 -26.6196 -26.6188 -26.6188 -10.3339 -10.3339 -10.3311 -10.3311 -10.0960 -10.0960 -10.0732 -10.0732 -10.0552 -10.0552 -10.0335 -10.0335 -5.9418 -5.9418 -5.9219 -5.9219 1.2083 1.2083 1.3067 1.3067 1.7235 1.7235 2.1346 2.1346 2.1814 2.1814 2.4591 2.4591 7.1479 7.1479 7.4026 7.4026 7.6211 7.6211 7.8445 7.8445 k = 0.4022 0.4022 0.3135 ( 21396 PWs) bands (ev): -42.1101 -42.1101 -42.1098 -42.1098 -26.6198 -26.6198 -26.6188 -26.6188 -10.3342 -10.3342 -10.3307 -10.3307 -10.0967 -10.0967 -10.0716 -10.0716 -10.0564 -10.0564 -10.0324 -10.0324 -5.9458 -5.9458 -5.9208 -5.9208 1.2049 1.2049 1.3116 1.3116 1.7026 1.7026 2.1389 2.1389 2.2122 2.2122 2.4945 2.4945 7.1122 7.1122 7.4181 7.4181 7.6297 7.6297 7.8967 7.8967 k = 0.3913 0.3913 0.3135 ( 21384 PWs) bands (ev): -42.1102 -42.1102 -42.1098 -42.1098 -26.6199 -26.6199 -26.6187 -26.6187 -10.3344 -10.3344 -10.3303 -10.3303 -10.0973 -10.0973 -10.0701 -10.0701 -10.0574 -10.0574 -10.0313 -10.0313 -5.9504 -5.9504 -5.9197 -5.9197 1.2027 1.2027 1.3156 1.3156 1.6844 1.6844 2.1450 2.1450 2.2434 2.2434 2.5303 2.5303 7.0761 7.0761 7.4352 7.4352 7.6404 7.6404 7.9524 7.9524 k = 0.3804 0.3804 0.3135 ( 21392 PWs) bands (ev): -42.1102 -42.1102 -42.1097 -42.1097 -26.6201 -26.6201 -26.6186 -26.6186 -10.3347 -10.3347 -10.3298 -10.3298 -10.0978 -10.0978 -10.0688 -10.0688 -10.0583 -10.0583 -10.0303 -10.0303 -5.9554 -5.9554 -5.9187 -5.9187 1.2019 1.2019 1.3185 1.3185 1.6696 1.6696 2.1532 2.1532 2.2745 2.2745 2.5664 2.5664 7.0402 7.0402 7.4538 7.4538 7.6537 7.6537 8.0111 8.0111 k = 0.3696 0.3696 0.3135 ( 21394 PWs) bands (ev): -42.1103 -42.1103 -42.1097 -42.1097 -26.6203 -26.6203 -26.6186 -26.6186 -10.3350 -10.3350 -10.3292 -10.3292 -10.0982 -10.0982 -10.0679 -10.0679 -10.0588 -10.0588 -10.0293 -10.0293 -5.9610 -5.9610 -5.9177 -5.9177 1.2026 1.2026 1.3201 1.3201 1.6586 1.6586 2.1632 2.1632 2.3053 2.3053 2.6024 2.6024 7.0049 7.0049 7.4739 7.4739 7.6699 7.6699 8.0725 8.0725 k = 0.3587 0.3587 0.3135 ( 21404 PWs) bands (ev): -42.1103 -42.1103 -42.1097 -42.1097 -26.6204 -26.6204 -26.6185 -26.6185 -10.3354 -10.3354 -10.3286 -10.3286 -10.0984 -10.0984 -10.0674 -10.0674 -10.0588 -10.0588 -10.0283 -10.0283 -5.9671 -5.9671 -5.9168 -5.9168 1.2047 1.2047 1.3204 1.3204 1.6518 1.6518 2.1748 2.1748 2.3357 2.3357 2.6383 2.6383 6.9705 6.9705 7.4953 7.4953 7.6894 7.6894 8.1360 8.1360 k = 0.3478 0.3478 0.3135 ( 21396 PWs) bands (ev): -42.1104 -42.1104 -42.1096 -42.1096 -26.6206 -26.6206 -26.6184 -26.6184 -10.3357 -10.3357 -10.3279 -10.3279 -10.0984 -10.0984 -10.0674 -10.0674 -10.0582 -10.0582 -10.0275 -10.0275 -5.9737 -5.9737 -5.9161 -5.9161 1.2082 1.2082 1.3195 1.3195 1.6494 1.6494 2.1879 2.1879 2.3657 2.3657 2.6738 2.6738 6.9375 6.9375 7.5179 7.5179 7.7126 7.7126 8.2011 8.2011 k = 0.3370 0.3370 0.3135 ( 21380 PWs) bands (ev): -42.1104 -42.1104 -42.1096 -42.1096 -26.6209 -26.6209 -26.6183 -26.6183 -10.3360 -10.3360 -10.3271 -10.3271 -10.0984 -10.0984 -10.0679 -10.0679 -10.0572 -10.0572 -10.0267 -10.0267 -5.9808 -5.9808 -5.9156 -5.9156 1.2130 1.2130 1.3179 1.3179 1.6515 1.6515 2.2022 2.2022 2.3953 2.3953 2.7088 2.7088 6.9062 6.9062 7.5413 7.5413 7.7399 7.7399 8.2671 8.2671 k = 0.3261 0.3261 0.3135 ( 21390 PWs) bands (ev): -42.1105 -42.1105 -42.1095 -42.1095 -26.6211 -26.6211 -26.6182 -26.6182 -10.3363 -10.3363 -10.3262 -10.3262 -10.0982 -10.0982 -10.0685 -10.0685 -10.0559 -10.0559 -10.0259 -10.0259 -5.9885 -5.9885 -5.9154 -5.9154 1.2186 1.2186 1.3163 1.3163 1.6578 1.6578 2.2175 2.2175 2.4246 2.4246 2.7430 2.7430 6.8768 6.8768 7.5652 7.5652 7.7715 7.7715 8.3324 8.3324 k = 0.3152 0.3152 0.3135 ( 21402 PWs) bands (ev): -42.1105 -42.1105 -42.1095 -42.1095 -26.6213 -26.6213 -26.6181 -26.6181 -10.3367 -10.3367 -10.3253 -10.3253 -10.0979 -10.0979 -10.0693 -10.0693 -10.0544 -10.0544 -10.0252 -10.0252 -5.9966 -5.9966 -5.9153 -5.9153 1.2246 1.2246 1.3156 1.3156 1.6678 1.6678 2.2337 2.2337 2.4536 2.4536 2.7761 2.7761 6.8498 6.8498 7.5894 7.5894 7.8075 7.8075 8.3618 8.3618 k = 0.3043 0.3043 0.3135 ( 21400 PWs) bands (ev): -42.1106 -42.1106 -42.1094 -42.1094 -26.6215 -26.6215 -26.6180 -26.6180 -10.3370 -10.3370 -10.3243 -10.3243 -10.0974 -10.0974 -10.0701 -10.0701 -10.0529 -10.0529 -10.0246 -10.0246 -6.0051 -6.0051 -5.9156 -5.9156 1.2303 1.2303 1.3171 1.3171 1.6813 1.6813 2.2504 2.2504 2.4826 2.4826 2.8080 2.8080 6.8255 6.8255 7.6131 7.6131 7.8478 7.8478 8.3648 8.3648 k = 0.2935 0.2935 0.3135 ( 21400 PWs) bands (ev): -42.1106 -42.1106 -42.1094 -42.1094 -26.6218 -26.6218 -26.6179 -26.6179 -10.3372 -10.3372 -10.3232 -10.3232 -10.0968 -10.0968 -10.0710 -10.0710 -10.0514 -10.0514 -10.0240 -10.0240 -6.0141 -6.0141 -5.9162 -5.9162 1.2352 1.2352 1.3218 1.3218 1.6978 1.6978 2.2676 2.2676 2.5118 2.5118 2.8384 2.8384 6.8041 6.8041 7.6357 7.6357 7.8922 7.8922 8.3715 8.3715 k = 0.2826 0.2826 0.3135 ( 21416 PWs) bands (ev): -42.1107 -42.1107 -42.1093 -42.1093 -26.6220 -26.6220 -26.6178 -26.6178 -10.3375 -10.3375 -10.3221 -10.3221 -10.0961 -10.0961 -10.0718 -10.0718 -10.0498 -10.0498 -10.0235 -10.0235 -6.0236 -6.0236 -5.9171 -5.9171 1.2389 1.2389 1.3300 1.3300 1.7168 1.7168 2.2851 2.2851 2.5414 2.5414 2.8669 2.8669 6.7859 6.7859 7.6560 7.6560 7.9400 7.9400 8.3822 8.3822 k = 0.2717 0.2717 0.3135 ( 21418 PWs) bands (ev): -42.1108 -42.1108 -42.1093 -42.1093 -26.6223 -26.6223 -26.6177 -26.6177 -10.3378 -10.3378 -10.3209 -10.3209 -10.0953 -10.0953 -10.0726 -10.0726 -10.0483 -10.0483 -10.0230 -10.0230 -6.0333 -6.0333 -5.9184 -5.9184 1.2420 1.2420 1.3418 1.3418 1.7381 1.7381 2.3027 2.3027 2.5716 2.5716 2.8933 2.8933 6.7712 6.7712 7.6728 7.6728 7.9899 7.9899 8.3654 8.3654 k = 0.2609 0.2609 0.3135 ( 21406 PWs) bands (ev): -42.1108 -42.1108 -42.1092 -42.1092 -26.6225 -26.6225 -26.6176 -26.6176 -10.3380 -10.3380 -10.3196 -10.3196 -10.0944 -10.0944 -10.0733 -10.0733 -10.0467 -10.0467 -10.0226 -10.0226 -6.0434 -6.0434 -5.9200 -5.9200 1.2450 1.2450 1.3565 1.3565 1.7612 1.7612 2.3205 2.3205 2.6027 2.6027 2.9174 2.9174 6.7602 6.7602 7.6840 7.6840 8.0400 8.0400 8.2619 8.2619 k = 0.2500 0.2500 0.3135 ( 21398 PWs) bands (ev): -42.1109 -42.1109 -42.1091 -42.1091 -26.6228 -26.6228 -26.6175 -26.6175 -10.3381 -10.3381 -10.3183 -10.3183 -10.0934 -10.0934 -10.0740 -10.0740 -10.0452 -10.0452 -10.0222 -10.0222 -6.0538 -6.0538 -5.9219 -5.9219 1.2486 1.2486 1.3734 1.3734 1.7859 1.7859 2.3383 2.3383 2.6347 2.6347 2.9389 2.9389 6.7531 6.7531 7.6875 7.6875 8.0843 8.0843 8.1611 8.1611 k = 0.2391 0.2391 0.3135 ( 21398 PWs) bands (ev): -42.1109 -42.1109 -42.1091 -42.1091 -26.6230 -26.6230 -26.6173 -26.6173 -10.3383 -10.3383 -10.3170 -10.3170 -10.0923 -10.0923 -10.0746 -10.0746 -10.0438 -10.0438 -10.0219 -10.0219 -6.0644 -6.0644 -5.9243 -5.9243 1.2534 1.2534 1.3921 1.3921 1.8120 1.8120 2.3563 2.3563 2.6679 2.6679 2.9576 2.9576 6.7501 6.7501 7.6806 7.6806 8.0459 8.0459 8.1397 8.1397 k = 0.2283 0.2283 0.3135 ( 21400 PWs) bands (ev): -42.1110 -42.1110 -42.1090 -42.1090 -26.6233 -26.6233 -26.6172 -26.6172 -10.3384 -10.3384 -10.3156 -10.3156 -10.0911 -10.0911 -10.0752 -10.0752 -10.0424 -10.0424 -10.0216 -10.0216 -6.0751 -6.0751 -5.9269 -5.9269 1.2596 1.2596 1.4119 1.4119 1.8390 1.8390 2.3746 2.3746 2.7021 2.7021 2.9732 2.9732 6.7513 6.7513 7.6610 7.6610 7.9492 7.9492 8.1706 8.1706 k = 0.2174 0.2174 0.3135 ( 21398 PWs) bands (ev): -42.1111 -42.1111 -42.1090 -42.1090 -26.6235 -26.6235 -26.6171 -26.6171 -10.3384 -10.3384 -10.3142 -10.3142 -10.0898 -10.0898 -10.0757 -10.0757 -10.0410 -10.0410 -10.0213 -10.0213 -6.0860 -6.0860 -5.9299 -5.9299 1.2676 1.2676 1.4326 1.4326 1.8668 1.8668 2.3931 2.3931 2.7374 2.7374 2.9858 2.9858 6.7567 6.7567 7.6273 7.6273 7.8539 7.8539 8.1917 8.1917 k = 0.2065 0.2065 0.3135 ( 21412 PWs) bands (ev): -42.1111 -42.1111 -42.1089 -42.1089 -26.6238 -26.6238 -26.6170 -26.6170 -10.3384 -10.3384 -10.3127 -10.3127 -10.0885 -10.0885 -10.0761 -10.0761 -10.0398 -10.0398 -10.0210 -10.0210 -6.0969 -6.0969 -5.9332 -5.9332 1.2773 1.2773 1.4539 1.4539 1.8951 1.8951 2.4121 2.4121 2.7735 2.7735 2.9954 2.9954 6.7662 6.7662 7.5800 7.5800 7.7628 7.7628 8.1986 8.1986 k = 0.1957 0.1957 0.3135 ( 21404 PWs) bands (ev): -42.1112 -42.1112 -42.1088 -42.1088 -26.6240 -26.6240 -26.6169 -26.6169 -10.3384 -10.3384 -10.3113 -10.3113 -10.0872 -10.0872 -10.0765 -10.0765 -10.0387 -10.0387 -10.0207 -10.0207 -6.1077 -6.1077 -5.9368 -5.9368 1.2886 1.2886 1.4757 1.4757 1.9235 1.9235 2.4315 2.4315 2.8100 2.8100 3.0023 3.0023 6.7795 6.7795 7.5209 7.5209 7.6765 7.6765 8.1872 8.1872 k = 0.1848 0.1848 0.3135 ( 21408 PWs) bands (ev): -42.1112 -42.1112 -42.1088 -42.1088 -26.6243 -26.6243 -26.6168 -26.6168 -10.3383 -10.3383 -10.3098 -10.3098 -10.0859 -10.0859 -10.0767 -10.0767 -10.0378 -10.0378 -10.0203 -10.0203 -6.1185 -6.1185 -5.9406 -5.9406 1.3014 1.3014 1.4980 1.4980 1.9520 1.9520 2.4512 2.4512 2.8462 2.8462 3.0073 3.0073 6.7963 6.7963 7.4529 7.4529 7.5960 7.5960 8.1164 8.1164 k = 0.1739 0.1739 0.3135 ( 21404 PWs) bands (ev): -42.1113 -42.1113 -42.1087 -42.1087 -26.6245 -26.6245 -26.6167 -26.6167 -10.3382 -10.3382 -10.3084 -10.3084 -10.0846 -10.0846 -10.0768 -10.0768 -10.0370 -10.0370 -10.0199 -10.0199 -6.1292 -6.1292 -5.9445 -5.9445 1.3155 1.3155 1.5208 1.5208 1.9800 1.9800 2.4710 2.4710 2.8804 2.8804 3.0121 3.0121 6.8157 6.8157 7.3790 7.3790 7.5221 7.5221 8.0211 8.0211 k = 0.1630 0.1630 0.3135 ( 21408 PWs) bands (ev): -42.1113 -42.1113 -42.1087 -42.1087 -26.6247 -26.6247 -26.6166 -26.6166 -10.3381 -10.3381 -10.3070 -10.3070 -10.0835 -10.0835 -10.0767 -10.0767 -10.0364 -10.0364 -10.0194 -10.0194 -6.1396 -6.1396 -5.9487 -5.9487 1.3303 1.3303 1.5445 1.5445 2.0075 2.0075 2.4905 2.4905 2.9094 2.9094 3.0202 3.0202 6.8365 6.8365 7.3018 7.3018 7.4561 7.4561 7.9278 7.9278 k = 0.1522 0.1522 0.3135 ( 21410 PWs) bands (ev): -42.1114 -42.1114 -42.1086 -42.1086 -26.6249 -26.6249 -26.6165 -26.6165 -10.3379 -10.3379 -10.3056 -10.3056 -10.0826 -10.0826 -10.0763 -10.0763 -10.0361 -10.0361 -10.0187 -10.0187 -6.1497 -6.1497 -5.9529 -5.9529 1.3456 1.3456 1.5692 1.5692 2.0341 2.0341 2.5089 2.5089 2.9284 2.9284 3.0366 3.0366 6.8568 6.8568 7.2234 7.2234 7.3997 7.3997 7.8380 7.8380 k = 0.1413 0.1413 0.3135 ( 21426 PWs) bands (ev): -42.1115 -42.1115 -42.1086 -42.1086 -26.6251 -26.6251 -26.6164 -26.6164 -10.3377 -10.3377 -10.3042 -10.3042 -10.0820 -10.0820 -10.0755 -10.0755 -10.0360 -10.0360 -10.0180 -10.0180 -6.1594 -6.1594 -5.9571 -5.9571 1.3607 1.3607 1.5953 1.5953 2.0597 2.0597 2.5254 2.5254 2.9358 2.9358 3.0636 3.0636 6.8740 6.8740 7.1456 7.1456 7.3551 7.3551 7.7524 7.7524 k = 0.1304 0.1304 0.3135 ( 21412 PWs) bands (ev): -42.1115 -42.1115 -42.1086 -42.1086 -26.6253 -26.6253 -26.6164 -26.6164 -10.3375 -10.3375 -10.3030 -10.3030 -10.0817 -10.0817 -10.0744 -10.0744 -10.0361 -10.0361 -10.0172 -10.0172 -6.1688 -6.1688 -5.9614 -5.9614 1.3753 1.3753 1.6234 1.6234 2.0839 2.0839 2.5387 2.5387 2.9359 2.9359 3.0978 3.0978 6.8845 6.8845 7.0700 7.0700 7.3252 7.3252 7.6715 7.6715 k = 0.1196 0.1196 0.3135 ( 21406 PWs) bands (ev): -42.1115 -42.1115 -42.1085 -42.1085 -26.6255 -26.6255 -26.6163 -26.6163 -10.3373 -10.3373 -10.3017 -10.3017 -10.0815 -10.0815 -10.0732 -10.0732 -10.0363 -10.0363 -10.0163 -10.0163 -6.1776 -6.1776 -5.9655 -5.9655 1.3888 1.3888 1.6537 1.6537 2.1065 2.1065 2.5474 2.5474 2.9334 2.9334 3.1354 3.1354 6.8844 6.8844 6.9990 6.9990 7.3121 7.3121 7.5956 7.5956 k = 0.1087 0.1087 0.3135 ( 21410 PWs) bands (ev): -42.1116 -42.1116 -42.1085 -42.1085 -26.6257 -26.6257 -26.6162 -26.6162 -10.3370 -10.3370 -10.3006 -10.3006 -10.0814 -10.0814 -10.0717 -10.0717 -10.0368 -10.0368 -10.0154 -10.0154 -6.1859 -6.1859 -5.9696 -5.9696 1.4009 1.4009 1.6864 1.6864 2.1274 2.1274 2.5500 2.5500 2.9316 2.9316 3.1741 3.1741 6.8688 6.8688 6.9374 6.9374 7.3158 7.3158 7.5251 7.5251 k = 0.0978 0.0978 0.3135 ( 21400 PWs) bands (ev): -42.1116 -42.1116 -42.1084 -42.1084 -26.6258 -26.6258 -26.6161 -26.6161 -10.3368 -10.3368 -10.2995 -10.2995 -10.0814 -10.0814 -10.0703 -10.0703 -10.0374 -10.0374 -10.0145 -10.0145 -6.1936 -6.1936 -5.9734 -5.9734 1.4115 1.4115 1.7217 1.7217 2.1461 2.1461 2.5456 2.5456 2.9322 2.9322 3.2126 3.2126 6.8308 6.8308 6.8946 6.8946 7.3335 7.3335 7.4604 7.4604 k = 0.0870 0.0870 0.3135 ( 21390 PWs) bands (ev): -42.1116 -42.1116 -42.1084 -42.1084 -26.6259 -26.6259 -26.6161 -26.6161 -10.3366 -10.3366 -10.2985 -10.2985 -10.0815 -10.0815 -10.0688 -10.0688 -10.0381 -10.0381 -10.0136 -10.0136 -6.2007 -6.2007 -5.9771 -5.9771 1.4205 1.4205 1.7595 1.7595 2.1623 2.1623 2.5340 2.5340 2.9361 2.9361 3.2498 3.2498 6.7786 6.7786 6.8661 6.8661 7.3606 7.3606 7.4019 7.4019 k = 0.0761 0.0761 0.3135 ( 21378 PWs) bands (ev): -42.1117 -42.1117 -42.1084 -42.1084 -26.6261 -26.6261 -26.6160 -26.6160 -10.3364 -10.3364 -10.2976 -10.2976 -10.0815 -10.0815 -10.0673 -10.0673 -10.0389 -10.0389 -10.0127 -10.0127 -6.2070 -6.2070 -5.9804 -5.9804 1.4280 1.4280 1.7996 1.7996 2.1755 2.1755 2.5159 2.5159 2.9430 2.9430 3.2849 3.2849 6.7260 6.7260 6.8418 6.8418 7.3484 7.3484 7.3932 7.3932 k = 0.0652 0.0652 0.3135 ( 21370 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6262 -26.6262 -26.6160 -26.6160 -10.3362 -10.3362 -10.2968 -10.2968 -10.0815 -10.0815 -10.0659 -10.0659 -10.0397 -10.0397 -10.0120 -10.0120 -6.2126 -6.2126 -5.9834 -5.9834 1.4340 1.4340 1.8417 1.8417 2.1850 2.1850 2.4929 2.4929 2.9520 2.9520 3.3172 3.3172 6.6778 6.6778 6.8195 6.8195 7.3026 7.3026 7.4170 7.4170 k = 0.0543 0.0543 0.3135 ( 21362 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6263 -26.6263 -26.6159 -26.6159 -10.3360 -10.3360 -10.2961 -10.2961 -10.0816 -10.0816 -10.0646 -10.0646 -10.0406 -10.0406 -10.0113 -10.0113 -6.2173 -6.2173 -5.9860 -5.9860 1.4387 1.4387 1.8853 1.8853 2.1899 2.1899 2.4673 2.4673 2.9619 2.9619 3.3460 3.3460 6.6355 6.6355 6.7997 6.7997 7.2633 7.2633 7.3980 7.3980 k = 0.0435 0.0435 0.3135 ( 21378 PWs) bands (ev): -42.1117 -42.1117 -42.1083 -42.1083 -26.6263 -26.6263 -26.6159 -26.6159 -10.3358 -10.3358 -10.2956 -10.2956 -10.0816 -10.0816 -10.0634 -10.0634 -10.0414 -10.0414 -10.0107 -10.0107 -6.2213 -6.2213 -5.9882 -5.9882 1.4424 1.4424 1.9299 1.9299 2.1887 2.1887 2.4416 2.4416 2.9716 2.9716 3.3707 3.3707 6.6001 6.6001 6.7828 6.7828 7.2309 7.2309 7.3603 7.3603 k = 0.0326 0.0326 0.3135 ( 21400 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6264 -26.6264 -26.6159 -26.6159 -10.3357 -10.3357 -10.2951 -10.2951 -10.0817 -10.0817 -10.0623 -10.0623 -10.0421 -10.0421 -10.0102 -10.0102 -6.2244 -6.2244 -5.9899 -5.9899 1.4451 1.4451 1.9747 1.9747 2.1799 2.1799 2.4188 2.4188 2.9802 2.9802 3.3905 3.3905 6.5719 6.5719 6.7694 6.7694 7.2055 7.2055 7.3275 7.3275 k = 0.0217 0.0217 0.3135 ( 21406 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6264 -26.6264 -26.6159 -26.6159 -10.3356 -10.3356 -10.2948 -10.2948 -10.0817 -10.0817 -10.0615 -10.0615 -10.0427 -10.0427 -10.0099 -10.0099 -6.2267 -6.2267 -5.9911 -5.9911 1.4469 1.4469 2.0188 2.0188 2.1623 2.1623 2.4014 2.4014 2.9868 2.9868 3.4051 3.4051 6.5516 6.5516 6.7597 6.7597 7.1873 7.1873 7.3031 7.3031 k = 0.0109 0.0109 0.3135 ( 21424 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6159 -26.6159 -10.3356 -10.3356 -10.2946 -10.2946 -10.0817 -10.0817 -10.0610 -10.0610 -10.0431 -10.0431 -10.0097 -10.0097 -6.2280 -6.2280 -5.9919 -5.9919 1.4479 1.4479 2.0608 2.0608 2.1363 2.1363 2.3908 2.3908 2.9910 2.9910 3.4140 3.4140 6.5393 6.5393 6.7538 6.7538 7.1764 7.1764 7.2882 7.2882 k = 0.0000 0.0000 0.3135 ( 21408 PWs) bands (ev): -42.1118 -42.1118 -42.1083 -42.1083 -26.6265 -26.6265 -26.6159 -26.6159 -10.3356 -10.3356 -10.2945 -10.2945 -10.0817 -10.0817 -10.0608 -10.0608 -10.0432 -10.0432 -10.0096 -10.0096 -6.2285 -6.2285 -5.9922 -5.9922 1.4483 1.4483 2.0918 2.0918 2.1106 2.1106 2.3873 2.3873 2.9924 2.9924 3.4170 3.4170 6.5352 6.5352 6.7518 6.7518 7.1727 7.1727 7.2832 7.2832 k = 0.0000 0.5000-0.0000 ( 21382 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3331 -10.3331 -10.3331 -10.3331 -10.0866 -10.0866 -10.0866 -10.0866 -10.0307 -10.0307 -10.0307 -10.0307 -5.9717 -5.9717 -5.9717 -5.9717 1.1257 1.1257 1.1257 1.1257 2.3161 2.3161 2.3161 2.3161 2.7836 2.7836 2.7836 2.7836 7.3960 7.3960 7.3960 7.3960 7.7055 7.7055 7.7055 7.7055 k = 0.0000 0.5000 0.0149 ( 21392 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3331 -10.3331 -10.3331 -10.3331 -10.0866 -10.0866 -10.0866 -10.0866 -10.0307 -10.0307 -10.0307 -10.0307 -5.9716 -5.9716 -5.9716 -5.9716 1.1243 1.1243 1.1243 1.1243 2.3172 2.3172 2.3172 2.3172 2.7840 2.7840 2.7840 2.7840 7.3922 7.3922 7.3922 7.3922 7.6918 7.6918 7.6918 7.6918 k = 0.0000 0.5000 0.0299 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3331 -10.3331 -10.3331 -10.3331 -10.0866 -10.0866 -10.0866 -10.0866 -10.0306 -10.0306 -10.0306 -10.0306 -5.9714 -5.9714 -5.9714 -5.9714 1.1201 1.1201 1.1201 1.1201 2.3208 2.3208 2.3208 2.3208 2.7852 2.7852 2.7852 2.7852 7.3803 7.3803 7.3803 7.3803 7.6598 7.6598 7.6598 7.6598 k = 0.0000 0.5000 0.0448 ( 21416 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3332 -10.3332 -10.3332 -10.3332 -10.0867 -10.0867 -10.0867 -10.0867 -10.0306 -10.0306 -10.0306 -10.0306 -5.9709 -5.9709 -5.9709 -5.9709 1.1132 1.1132 1.1132 1.1132 2.3264 2.3264 2.3264 2.3264 2.7872 2.7872 2.7872 2.7872 7.3582 7.3582 7.3582 7.3582 7.6245 7.6245 7.6245 7.6245 k = 0.0000 0.5000 0.0597 ( 21436 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3333 -10.3333 -10.3333 -10.3333 -10.0868 -10.0868 -10.0868 -10.0868 -10.0305 -10.0305 -10.0305 -10.0305 -5.9703 -5.9703 -5.9703 -5.9703 1.1039 1.1039 1.1039 1.1039 2.3340 2.3340 2.3340 2.3340 2.7899 2.7899 2.7899 2.7899 7.3248 7.3248 7.3248 7.3248 7.5957 7.5957 7.5957 7.5957 k = 0.0000 0.5000 0.0746 ( 21430 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3334 -10.3334 -10.3334 -10.3334 -10.0869 -10.0869 -10.0869 -10.0869 -10.0303 -10.0303 -10.0303 -10.0303 -5.9695 -5.9695 -5.9695 -5.9695 1.0925 1.0925 1.0925 1.0925 2.3431 2.3431 2.3431 2.3431 2.7935 2.7935 2.7935 2.7935 7.2813 7.2813 7.2813 7.2813 7.5765 7.5765 7.5765 7.5765 k = 0.0000 0.5000 0.0896 ( 21426 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3336 -10.3336 -10.3336 -10.3336 -10.0871 -10.0871 -10.0871 -10.0871 -10.0302 -10.0302 -10.0302 -10.0302 -5.9685 -5.9685 -5.9685 -5.9685 1.0793 1.0793 1.0793 1.0793 2.3534 2.3534 2.3534 2.3534 2.7979 2.7979 2.7979 2.7979 7.2312 7.2312 7.2312 7.2312 7.5657 7.5657 7.5657 7.5657 k = 0.0000 0.5000 0.1045 ( 21412 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3337 -10.3337 -10.3337 -10.3337 -10.0872 -10.0872 -10.0872 -10.0872 -10.0300 -10.0300 -10.0300 -10.0300 -5.9675 -5.9675 -5.9675 -5.9675 1.0648 1.0648 1.0648 1.0648 2.3645 2.3645 2.3645 2.3645 2.8030 2.8030 2.8030 2.8030 7.1779 7.1779 7.1779 7.1779 7.5609 7.5609 7.5609 7.5609 k = 0.0000 0.5000 0.1194 ( 21436 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3339 -10.3339 -10.3339 -10.3339 -10.0874 -10.0874 -10.0874 -10.0874 -10.0298 -10.0298 -10.0298 -10.0298 -5.9664 -5.9664 -5.9664 -5.9664 1.0493 1.0493 1.0493 1.0493 2.3759 2.3759 2.3759 2.3759 2.8089 2.8089 2.8089 2.8089 7.1242 7.1242 7.1242 7.1242 7.5600 7.5600 7.5600 7.5600 k = 0.0000 0.5000 0.1343 ( 21430 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3341 -10.3341 -10.3341 -10.3341 -10.0876 -10.0876 -10.0876 -10.0876 -10.0296 -10.0296 -10.0296 -10.0296 -5.9651 -5.9651 -5.9651 -5.9651 1.0333 1.0333 1.0333 1.0333 2.3874 2.3874 2.3874 2.3874 2.8155 2.8155 2.8155 2.8155 7.0717 7.0717 7.0717 7.0717 7.5618 7.5618 7.5618 7.5618 k = 0.0000 0.5000 0.1493 ( 21426 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3343 -10.3343 -10.3343 -10.3343 -10.0878 -10.0878 -10.0878 -10.0878 -10.0294 -10.0294 -10.0294 -10.0294 -5.9639 -5.9639 -5.9639 -5.9639 1.0171 1.0171 1.0171 1.0171 2.3986 2.3986 2.3986 2.3986 2.8226 2.8226 2.8226 2.8226 7.0216 7.0216 7.0216 7.0216 7.5654 7.5654 7.5654 7.5654 k = 0.0000 0.5000 0.1642 ( 21422 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3345 -10.3345 -10.3345 -10.3345 -10.0880 -10.0880 -10.0880 -10.0880 -10.0292 -10.0292 -10.0292 -10.0292 -5.9626 -5.9626 -5.9626 -5.9626 1.0011 1.0011 1.0011 1.0011 2.4093 2.4093 2.4093 2.4093 2.8301 2.8301 2.8301 2.8301 6.9746 6.9746 6.9746 6.9746 7.5700 7.5700 7.5700 7.5700 k = 0.0000 0.5000 0.1791 ( 21428 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3347 -10.3347 -10.3347 -10.3347 -10.0882 -10.0882 -10.0882 -10.0882 -10.0290 -10.0290 -10.0290 -10.0290 -5.9614 -5.9614 -5.9614 -5.9614 0.9857 0.9857 0.9857 0.9857 2.4191 2.4191 2.4191 2.4191 2.8378 2.8378 2.8378 2.8378 6.9312 6.9312 6.9312 6.9312 7.5753 7.5753 7.5753 7.5753 k = 0.0000 0.5000 0.1941 ( 21428 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3348 -10.3348 -10.3348 -10.3348 -10.0883 -10.0883 -10.0883 -10.0883 -10.0289 -10.0289 -10.0289 -10.0289 -5.9602 -5.9602 -5.9602 -5.9602 0.9710 0.9710 0.9710 0.9710 2.4281 2.4281 2.4281 2.4281 2.8457 2.8457 2.8457 2.8457 6.8917 6.8917 6.8917 6.8917 7.5810 7.5810 7.5810 7.5810 k = 0.0000 0.5000 0.2090 ( 21440 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3350 -10.3350 -10.3350 -10.3350 -10.0885 -10.0885 -10.0885 -10.0885 -10.0287 -10.0287 -10.0287 -10.0287 -5.9590 -5.9590 -5.9590 -5.9590 0.9575 0.9575 0.9575 0.9575 2.4360 2.4360 2.4360 2.4360 2.8533 2.8533 2.8533 2.8533 6.8564 6.8564 6.8564 6.8564 7.5866 7.5866 7.5866 7.5866 k = 0.0000 0.5000 0.2239 ( 21412 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3352 -10.3352 -10.3352 -10.3352 -10.0886 -10.0886 -10.0886 -10.0886 -10.0285 -10.0285 -10.0285 -10.0285 -5.9580 -5.9580 -5.9580 -5.9580 0.9453 0.9453 0.9453 0.9453 2.4428 2.4428 2.4428 2.4428 2.8605 2.8605 2.8605 2.8605 6.8255 6.8255 6.8255 6.8255 7.5921 7.5921 7.5921 7.5921 k = 0.0000 0.5000 0.2388 ( 21428 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3353 -10.3353 -10.3353 -10.3353 -10.0888 -10.0888 -10.0888 -10.0888 -10.0284 -10.0284 -10.0284 -10.0284 -5.9570 -5.9570 -5.9570 -5.9570 0.9346 0.9346 0.9346 0.9346 2.4486 2.4486 2.4486 2.4486 2.8671 2.8671 2.8671 2.8671 6.7992 6.7992 6.7992 6.7992 7.5970 7.5970 7.5970 7.5970 k = 0.0000 0.5000 0.2538 ( 21444 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3354 -10.3354 -10.3354 -10.3354 -10.0889 -10.0889 -10.0889 -10.0889 -10.0283 -10.0283 -10.0283 -10.0283 -5.9562 -5.9562 -5.9562 -5.9562 0.9257 0.9257 0.9257 0.9257 2.4532 2.4532 2.4532 2.4532 2.8728 2.8728 2.8728 2.8728 6.7774 6.7774 6.7774 6.7774 7.6014 7.6014 7.6014 7.6014 k = 0.0000 0.5000 0.2687 ( 21452 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3355 -10.3355 -10.3355 -10.3355 -10.0890 -10.0890 -10.0890 -10.0890 -10.0282 -10.0282 -10.0282 -10.0282 -5.9556 -5.9556 -5.9556 -5.9556 0.9185 0.9185 0.9185 0.9185 2.4568 2.4568 2.4568 2.4568 2.8775 2.8775 2.8775 2.8775 6.7604 6.7604 6.7604 6.7604 7.6049 7.6049 7.6049 7.6049 k = 0.0000 0.5000 0.2836 ( 21442 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3356 -10.3356 -10.3356 -10.3356 -10.0890 -10.0890 -10.0890 -10.0890 -10.0281 -10.0281 -10.0281 -10.0281 -5.9551 -5.9551 -5.9551 -5.9551 0.9134 0.9134 0.9134 0.9134 2.4594 2.4594 2.4594 2.4594 2.8809 2.8809 2.8809 2.8809 6.7482 6.7482 6.7482 6.7482 7.6076 7.6076 7.6076 7.6076 k = 0.0000 0.5000 0.2985 ( 21400 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3357 -10.3357 -10.3357 -10.3357 -10.0891 -10.0891 -10.0891 -10.0891 -10.0280 -10.0280 -10.0280 -10.0280 -5.9548 -5.9548 -5.9548 -5.9548 0.9103 0.9103 0.9103 0.9103 2.4609 2.4609 2.4609 2.4609 2.8831 2.8831 2.8831 2.8831 6.7409 6.7409 6.7409 6.7409 7.6092 7.6092 7.6092 7.6092 k = 0.0000 0.5000 0.3135 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6201 -26.6201 -26.6201 -26.6201 -10.3357 -10.3357 -10.3357 -10.3357 -10.0891 -10.0891 -10.0891 -10.0891 -10.0280 -10.0280 -10.0280 -10.0280 -5.9548 -5.9548 -5.9548 -5.9548 0.9092 0.9092 0.9092 0.9092 2.4614 2.4614 2.4614 2.4614 2.8838 2.8838 2.8838 2.8838 6.7385 6.7385 6.7385 6.7385 7.6097 7.6097 7.6097 7.6097 k = 0.5000 0.5000-0.0000 ( 21440 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3320 -10.3320 -10.3320 -10.3320 -10.0858 -10.0858 -10.0858 -10.0858 -10.0425 -10.0425 -10.0425 -10.0425 -5.9445 -5.9445 -5.9445 -5.9445 1.2551 1.2551 1.2551 1.2551 2.0421 2.0421 2.0421 2.0421 2.3600 2.3600 2.3600 2.3600 6.5883 6.5883 6.5883 6.5883 6.7424 6.7424 6.7424 6.7424 k = 0.5000 0.5000 0.0149 ( 21444 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3320 -10.3320 -10.3320 -10.3320 -10.0858 -10.0858 -10.0858 -10.0858 -10.0425 -10.0425 -10.0425 -10.0425 -5.9444 -5.9444 -5.9444 -5.9444 1.2552 1.2552 1.2552 1.2552 2.0416 2.0416 2.0416 2.0416 2.3590 2.3590 2.3590 2.3590 6.5926 6.5926 6.5926 6.5926 6.7449 6.7449 6.7449 6.7449 k = 0.5000 0.5000 0.0299 ( 21444 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3320 -10.3320 -10.3320 -10.3320 -10.0858 -10.0858 -10.0858 -10.0858 -10.0425 -10.0425 -10.0425 -10.0425 -5.9441 -5.9441 -5.9441 -5.9441 1.2552 1.2552 1.2552 1.2552 2.0399 2.0399 2.0399 2.0399 2.3562 2.3562 2.3562 2.3562 6.6054 6.6054 6.6054 6.6054 6.7523 6.7523 6.7523 6.7523 k = 0.5000 0.5000 0.0448 ( 21436 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3320 -10.3320 -10.3320 -10.3320 -10.0858 -10.0858 -10.0858 -10.0858 -10.0425 -10.0425 -10.0425 -10.0425 -5.9436 -5.9436 -5.9436 -5.9436 1.2553 1.2553 1.2553 1.2553 2.0372 2.0372 2.0372 2.0372 2.3516 2.3516 2.3516 2.3516 6.6266 6.6266 6.6266 6.6266 6.7646 6.7646 6.7646 6.7646 k = 0.5000 0.5000 0.0597 ( 21412 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3320 -10.3320 -10.3320 -10.3320 -10.0858 -10.0858 -10.0858 -10.0858 -10.0426 -10.0426 -10.0426 -10.0426 -5.9429 -5.9429 -5.9429 -5.9429 1.2555 1.2555 1.2555 1.2555 2.0334 2.0334 2.0334 2.0334 2.3454 2.3454 2.3454 2.3454 6.6559 6.6559 6.6559 6.6559 6.7816 6.7816 6.7816 6.7816 k = 0.5000 0.5000 0.0746 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3321 -10.3321 -10.3321 -10.3321 -10.0859 -10.0859 -10.0859 -10.0859 -10.0427 -10.0427 -10.0427 -10.0427 -5.9421 -5.9421 -5.9421 -5.9421 1.2556 1.2556 1.2556 1.2556 2.0287 2.0287 2.0287 2.0287 2.3378 2.3378 2.3378 2.3378 6.6930 6.6930 6.6930 6.6930 6.8033 6.8033 6.8033 6.8033 k = 0.5000 0.5000 0.0896 ( 21412 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3321 -10.3321 -10.3321 -10.3321 -10.0859 -10.0859 -10.0859 -10.0859 -10.0427 -10.0427 -10.0427 -10.0427 -5.9412 -5.9412 -5.9412 -5.9412 1.2558 1.2558 1.2558 1.2558 2.0231 2.0231 2.0231 2.0231 2.3290 2.3290 2.3290 2.3290 6.7372 6.7372 6.7372 6.7372 6.8294 6.8294 6.8294 6.8294 k = 0.5000 0.5000 0.1045 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3321 -10.3321 -10.3321 -10.3321 -10.0859 -10.0859 -10.0859 -10.0859 -10.0428 -10.0428 -10.0428 -10.0428 -5.9401 -5.9401 -5.9401 -5.9401 1.2560 1.2560 1.2560 1.2560 2.0167 2.0167 2.0167 2.0167 2.3193 2.3193 2.3193 2.3193 6.7880 6.7880 6.7880 6.7880 6.8599 6.8599 6.8599 6.8599 k = 0.5000 0.5000 0.1194 ( 21444 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3322 -10.3322 -10.3322 -10.3322 -10.0860 -10.0860 -10.0860 -10.0860 -10.0429 -10.0429 -10.0429 -10.0429 -5.9389 -5.9389 -5.9389 -5.9389 1.2563 1.2563 1.2563 1.2563 2.0097 2.0097 2.0097 2.0097 2.3089 2.3089 2.3089 2.3089 6.8444 6.8444 6.8444 6.8444 6.8947 6.8947 6.8947 6.8947 k = 0.5000 0.5000 0.1343 ( 21432 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3322 -10.3322 -10.3322 -10.3322 -10.0860 -10.0860 -10.0860 -10.0860 -10.0430 -10.0430 -10.0430 -10.0430 -5.9377 -5.9377 -5.9377 -5.9377 1.2565 1.2565 1.2565 1.2565 2.0022 2.0022 2.0022 2.0022 2.2982 2.2982 2.2982 2.2982 6.9043 6.9043 6.9043 6.9043 6.9347 6.9347 6.9347 6.9347 k = 0.5000 0.5000 0.1493 ( 21416 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3323 -10.3323 -10.3323 -10.3323 -10.0861 -10.0861 -10.0861 -10.0861 -10.0432 -10.0432 -10.0432 -10.0432 -5.9364 -5.9364 -5.9364 -5.9364 1.2566 1.2566 1.2566 1.2566 1.9944 1.9944 1.9944 1.9944 2.2874 2.2874 2.2874 2.2874 6.9607 6.9607 6.9607 6.9607 6.9859 6.9859 6.9859 6.9859 k = 0.5000 0.5000 0.1642 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3323 -10.3323 -10.3323 -10.3323 -10.0861 -10.0861 -10.0861 -10.0861 -10.0433 -10.0433 -10.0433 -10.0433 -5.9351 -5.9351 -5.9351 -5.9351 1.2568 1.2568 1.2568 1.2568 1.9864 1.9864 1.9864 1.9864 2.2768 2.2768 2.2768 2.2768 7.0082 7.0082 7.0082 7.0082 7.0518 7.0518 7.0518 7.0518 k = 0.5000 0.5000 0.1791 ( 21420 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3324 -10.3324 -10.3324 -10.3324 -10.0862 -10.0862 -10.0862 -10.0862 -10.0434 -10.0434 -10.0434 -10.0434 -5.9338 -5.9338 -5.9338 -5.9338 1.2570 1.2570 1.2570 1.2570 1.9785 1.9785 1.9785 1.9785 2.2666 2.2666 2.2666 2.2666 7.0540 7.0540 7.0540 7.0540 7.1237 7.1237 7.1237 7.1237 k = 0.5000 0.5000 0.1941 ( 21444 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3324 -10.3324 -10.3324 -10.3324 -10.0862 -10.0862 -10.0862 -10.0862 -10.0435 -10.0435 -10.0435 -10.0435 -5.9326 -5.9326 -5.9326 -5.9326 1.2571 1.2571 1.2571 1.2571 1.9707 1.9707 1.9707 1.9707 2.2569 2.2569 2.2569 2.2569 7.0997 7.0997 7.0997 7.0997 7.1976 7.1976 7.1976 7.1976 k = 0.5000 0.5000 0.2090 ( 21452 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3325 -10.3325 -10.3325 -10.3325 -10.0863 -10.0863 -10.0863 -10.0863 -10.0436 -10.0436 -10.0436 -10.0436 -5.9314 -5.9314 -5.9314 -5.9314 1.2572 1.2572 1.2572 1.2572 1.9634 1.9634 1.9634 1.9634 2.2480 2.2480 2.2480 2.2480 7.1451 7.1451 7.1451 7.1451 7.2716 7.2716 7.2716 7.2716 k = 0.5000 0.5000 0.2239 ( 21444 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3325 -10.3325 -10.3325 -10.3325 -10.0863 -10.0863 -10.0863 -10.0863 -10.0437 -10.0437 -10.0437 -10.0437 -5.9303 -5.9303 -5.9303 -5.9303 1.2572 1.2572 1.2572 1.2572 1.9566 1.9566 1.9566 1.9566 2.2401 2.2401 2.2401 2.2401 7.1891 7.1891 7.1891 7.1891 7.3436 7.3436 7.3436 7.3436 k = 0.5000 0.5000 0.2388 ( 21428 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3326 -10.3326 -10.3326 -10.3326 -10.0864 -10.0864 -10.0864 -10.0864 -10.0438 -10.0438 -10.0438 -10.0438 -5.9293 -5.9293 -5.9293 -5.9293 1.2573 1.2573 1.2573 1.2573 1.9506 1.9506 1.9506 1.9506 2.2331 2.2331 2.2331 2.2331 7.2304 7.2304 7.2304 7.2304 7.4116 7.4116 7.4116 7.4116 k = 0.5000 0.5000 0.2538 ( 21428 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3326 -10.3326 -10.3326 -10.3326 -10.0864 -10.0864 -10.0864 -10.0864 -10.0438 -10.0438 -10.0438 -10.0438 -5.9285 -5.9285 -5.9285 -5.9285 1.2573 1.2573 1.2573 1.2573 1.9455 1.9455 1.9455 1.9455 2.2273 2.2273 2.2273 2.2273 7.2675 7.2675 7.2675 7.2675 7.4732 7.4732 7.4732 7.4732 k = 0.5000 0.5000 0.2687 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3326 -10.3326 -10.3326 -10.3326 -10.0864 -10.0864 -10.0864 -10.0864 -10.0439 -10.0439 -10.0439 -10.0439 -5.9279 -5.9279 -5.9279 -5.9279 1.2573 1.2573 1.2573 1.2573 1.9413 1.9413 1.9413 1.9413 2.2227 2.2227 2.2227 2.2227 7.2987 7.2987 7.2987 7.2987 7.5255 7.5255 7.5255 7.5255 k = 0.5000 0.5000 0.2836 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3326 -10.3326 -10.3326 -10.3326 -10.0864 -10.0864 -10.0864 -10.0864 -10.0439 -10.0439 -10.0439 -10.0439 -5.9274 -5.9274 -5.9274 -5.9274 1.2573 1.2573 1.2573 1.2573 1.9383 1.9383 1.9383 1.9383 2.2194 2.2194 2.2194 2.2194 7.3225 7.3225 7.3225 7.3225 7.5656 7.5656 7.5656 7.5656 k = 0.5000 0.5000 0.2985 ( 21404 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3326 -10.3326 -10.3326 -10.3326 -10.0864 -10.0864 -10.0864 -10.0864 -10.0440 -10.0440 -10.0440 -10.0440 -5.9271 -5.9271 -5.9271 -5.9271 1.2573 1.2573 1.2573 1.2573 1.9365 1.9365 1.9365 1.9365 2.2174 2.2174 2.2174 2.2174 7.3374 7.3374 7.3374 7.3374 7.5910 7.5910 7.5910 7.5910 k = 0.5000 0.5000 0.3135 ( 21408 PWs) bands (ev): -42.1100 -42.1100 -42.1100 -42.1100 -26.6191 -26.6191 -26.6191 -26.6191 -10.3326 -10.3326 -10.3326 -10.3326 -10.0864 -10.0864 -10.0864 -10.0864 -10.0440 -10.0440 -10.0440 -10.0440 -5.9270 -5.9270 -5.9270 -5.9270 1.2573 1.2573 1.2573 1.2573 1.9359 1.9359 1.9359 1.9359 2.2167 2.2167 2.2167 2.2167 7.3425 7.3425 7.3425 7.3425 7.5998 7.5998 7.5998 7.5998 Writing output data file KLiTe.save init_run : 0.64s CPU 0.82s WALL ( 1 calls) electrons : 339.03s CPU 342.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 339.02s CPU 342.21s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.37s WALL ( 296 calls) cegterg : 300.30s CPU 302.17s WALL ( 487 calls) Called by sum_band: Called by *egterg: h_psi : 214.16s CPU 215.57s WALL ( 7598 calls) s_psi : 13.18s CPU 12.98s WALL ( 7598 calls) g_psi : 0.95s CPU 0.96s WALL ( 6815 calls) cdiaghg : 41.81s CPU 42.29s WALL ( 7111 calls) cegterg:over : 18.78s CPU 18.76s WALL ( 6815 calls) cegterg:upda : 21.04s CPU 21.29s WALL ( 6815 calls) cegterg:last : 11.08s CPU 11.09s WALL ( 1242 calls) cdiaghg:chol : 2.54s CPU 2.50s WALL ( 7111 calls) cdiaghg:inve : 1.38s CPU 1.42s WALL ( 7111 calls) cdiaghg:para : 2.54s CPU 2.51s WALL ( 14222 calls) Called by h_psi: h_psi:vloc : 185.75s CPU 187.10s WALL ( 7598 calls) h_psi:vnl : 27.24s CPU 27.32s WALL ( 7598 calls) add_vuspsi : 13.36s CPU 13.39s WALL ( 7598 calls) General routines calbec : 13.86s CPU 13.91s WALL ( 7598 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 175.80s CPU 177.07s WALL ( 669236 calls) davcio : 0.34s CPU 0.73s WALL ( 592 calls) Parallel routines fft_scatter : 54.97s CPU 55.41s WALL ( 669251 calls) PWSCF : 6m18.68s CPU 6m38.36s WALL This run was terminated on: 20:20:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=