Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:12: 1 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: ./FeTe.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 26 20 6 974 652 108 Max 27 21 7 983 679 113 Sum 949 749 221 35179 23973 3959 bravais-lattice index = 14 lattice parameter (alat) = 7.1118 a.u. unit-cell volume = 566.9869 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.111795 celldm(2)= 1.000000 celldm(3)= 1.576287 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 1.576287 ) 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 0.634402 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Fe 8.00 55.84500 Fe( 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= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0026455 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026455 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0026455 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0026455 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0026455 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026455 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0026455 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0026455 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026455 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0026455 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0026455 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0026455 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0026455 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0026455 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0026455 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0026455 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0026455 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0026455 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0026455 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0026455 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0026455 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0026455 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0026455 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0026455 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0026455 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0026455 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0026455 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0026455 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0026455 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0026455 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0026455 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0026455 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0026455 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0026455 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026455 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0026455 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0026455 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0026455 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0026455 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0026455 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026455 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0026455 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026455 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0026455 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0026455 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0026455 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026455 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0026455 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0026455 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026455 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0026455 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0026455 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026455 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0026455 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0026455 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0026455 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026455 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0026455 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026455 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0026455 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0026455 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026455 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0026455 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0026455 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026455 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0026455 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0026455 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0026455 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0026455 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0026455 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 88) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0026455 k( 89) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0026455 k( 90) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0026455 k( 91) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0026455 k( 92) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0026455 k( 93) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0026455 k( 94) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0026455 k( 95) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0026455 k( 96) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0026455 k( 97) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0026455 k( 98) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0026455 k( 99) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0026455 k( 100) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0026455 k( 101) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0026455 k( 102) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0026455 k( 103) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0026455 k( 104) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0026455 k( 105) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0026455 k( 106) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0026455 k( 107) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 108) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0026455 k( 109) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0026455 k( 110) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0026455 k( 111) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0026455 k( 112) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0026455 k( 113) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0026455 k( 114) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0026455 k( 115) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0026455 k( 116) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0026455 k( 117) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026455 k( 118) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0026455 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0026455 k( 120) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0026455 k( 121) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0026455 k( 122) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0026455 k( 123) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0026455 k( 124) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0026455 k( 125) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0026455 k( 126) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0026455 k( 127) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026455 k( 128) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0026455 k( 129) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0026455 k( 130) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0026455 k( 131) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0026455 k( 132) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0026455 k( 133) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0026455 k( 134) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0026455 k( 135) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0026455 k( 136) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0026455 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0026455 k( 138) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0026455 k( 139) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0026455 k( 140) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0026455 k( 141) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0026455 k( 142) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0026455 k( 143) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0026455 k( 144) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0026455 k( 145) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0026455 k( 146) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0026455 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 149) = ( 0.0000000 0.0000000 0.0117482), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.0234964), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0352446), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0469927), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.0587409), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.0704891), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.0822373), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.0939855), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.1057337), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.1174819), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.1292301), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.1409782), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.1527264), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.1644746), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.1762228), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.1879710), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.1997192), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.2114674), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.2232155), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.2349637), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.2467119), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.2584601), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.2702083), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.2819565), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.2937047), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.3054529), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.3172010), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.3172010), wk = 0.0026455 k( 177) = ( 0.0000000 0.0119048 0.3172010), wk = 0.0026455 k( 178) = ( 0.0000000 0.0238095 0.3172010), wk = 0.0026455 k( 179) = ( 0.0000000 0.0357143 0.3172010), wk = 0.0026455 k( 180) = ( 0.0000000 0.0476191 0.3172010), wk = 0.0026455 k( 181) = ( 0.0000000 0.0595238 0.3172010), wk = 0.0026455 k( 182) = ( 0.0000000 0.0714286 0.3172010), wk = 0.0026455 k( 183) = ( 0.0000000 0.0833333 0.3172010), wk = 0.0026455 k( 184) = ( 0.0000000 0.0952381 0.3172010), wk = 0.0026455 k( 185) = ( 0.0000000 0.1071429 0.3172010), wk = 0.0026455 k( 186) = ( 0.0000000 0.1190476 0.3172010), wk = 0.0026455 k( 187) = ( 0.0000000 0.1309524 0.3172010), wk = 0.0026455 k( 188) = ( 0.0000000 0.1428571 0.3172010), wk = 0.0026455 k( 189) = ( 0.0000000 0.1547619 0.3172010), wk = 0.0026455 k( 190) = ( 0.0000000 0.1666667 0.3172010), wk = 0.0026455 k( 191) = ( 0.0000000 0.1785714 0.3172010), wk = 0.0026455 k( 192) = ( 0.0000000 0.1904762 0.3172010), wk = 0.0026455 k( 193) = ( 0.0000000 0.2023810 0.3172010), wk = 0.0026455 k( 194) = ( 0.0000000 0.2142857 0.3172010), wk = 0.0026455 k( 195) = ( 0.0000000 0.2261905 0.3172010), wk = 0.0026455 k( 196) = ( 0.0000000 0.2380952 0.3172010), wk = 0.0026455 k( 197) = ( 0.0000000 0.2500000 0.3172010), wk = 0.0026455 k( 198) = ( 0.0000000 0.2619048 0.3172010), wk = 0.0026455 k( 199) = ( 0.0000000 0.2738095 0.3172010), wk = 0.0026455 k( 200) = ( 0.0000000 0.2857143 0.3172010), wk = 0.0026455 k( 201) = ( 0.0000000 0.2976190 0.3172010), wk = 0.0026455 k( 202) = ( 0.0000000 0.3095238 0.3172010), wk = 0.0026455 k( 203) = ( 0.0000000 0.3214286 0.3172010), wk = 0.0026455 k( 204) = ( 0.0000000 0.3333333 0.3172010), wk = 0.0026455 k( 205) = ( 0.0000000 0.3452381 0.3172010), wk = 0.0026455 k( 206) = ( 0.0000000 0.3571429 0.3172010), wk = 0.0026455 k( 207) = ( 0.0000000 0.3690476 0.3172010), wk = 0.0026455 k( 208) = ( 0.0000000 0.3809524 0.3172010), wk = 0.0026455 k( 209) = ( 0.0000000 0.3928571 0.3172010), wk = 0.0026455 k( 210) = ( 0.0000000 0.4047619 0.3172010), wk = 0.0026455 k( 211) = ( 0.0000000 0.4166667 0.3172010), wk = 0.0026455 k( 212) = ( 0.0000000 0.4285714 0.3172010), wk = 0.0026455 k( 213) = ( 0.0000000 0.4404762 0.3172010), wk = 0.0026455 k( 214) = ( 0.0000000 0.4523810 0.3172010), wk = 0.0026455 k( 215) = ( 0.0000000 0.4642857 0.3172010), wk = 0.0026455 k( 216) = ( 0.0000000 0.4761905 0.3172010), wk = 0.0026455 k( 217) = ( 0.0000000 0.4880952 0.3172010), wk = 0.0026455 k( 218) = ( 0.0000000 0.5000000 0.3172010), wk = 0.0026455 k( 219) = ( 0.0000000 0.5000000 0.3172010), wk = 0.0026455 k( 220) = ( 0.0119048 0.5000000 0.3172010), wk = 0.0026455 k( 221) = ( 0.0238095 0.5000000 0.3172010), wk = 0.0026455 k( 222) = ( 0.0357143 0.5000000 0.3172010), wk = 0.0026455 k( 223) = ( 0.0476191 0.5000000 0.3172010), wk = 0.0026455 k( 224) = ( 0.0595238 0.5000000 0.3172010), wk = 0.0026455 k( 225) = ( 0.0714286 0.5000000 0.3172010), wk = 0.0026455 k( 226) = ( 0.0833333 0.5000000 0.3172010), wk = 0.0026455 k( 227) = ( 0.0952381 0.5000000 0.3172010), wk = 0.0026455 k( 228) = ( 0.1071429 0.5000000 0.3172010), wk = 0.0026455 k( 229) = ( 0.1190476 0.5000000 0.3172010), wk = 0.0026455 k( 230) = ( 0.1309524 0.5000000 0.3172010), wk = 0.0026455 k( 231) = ( 0.1428571 0.5000000 0.3172010), wk = 0.0026455 k( 232) = ( 0.1547619 0.5000000 0.3172010), wk = 0.0026455 k( 233) = ( 0.1666667 0.5000000 0.3172010), wk = 0.0026455 k( 234) = ( 0.1785714 0.5000000 0.3172010), wk = 0.0026455 k( 235) = ( 0.1904762 0.5000000 0.3172010), wk = 0.0026455 k( 236) = ( 0.2023810 0.5000000 0.3172010), wk = 0.0026455 k( 237) = ( 0.2142857 0.5000000 0.3172010), wk = 0.0026455 k( 238) = ( 0.2261905 0.5000000 0.3172010), wk = 0.0026455 k( 239) = ( 0.2380952 0.5000000 0.3172010), wk = 0.0026455 k( 240) = ( 0.2500000 0.5000000 0.3172010), wk = 0.0026455 k( 241) = ( 0.2619048 0.5000000 0.3172010), wk = 0.0026455 k( 242) = ( 0.2738095 0.5000000 0.3172010), wk = 0.0026455 k( 243) = ( 0.2857143 0.5000000 0.3172010), wk = 0.0026455 k( 244) = ( 0.2976190 0.5000000 0.3172010), wk = 0.0026455 k( 245) = ( 0.3095238 0.5000000 0.3172010), wk = 0.0026455 k( 246) = ( 0.3214286 0.5000000 0.3172010), wk = 0.0026455 k( 247) = ( 0.3333333 0.5000000 0.3172010), wk = 0.0026455 k( 248) = ( 0.3452381 0.5000000 0.3172010), wk = 0.0026455 k( 249) = ( 0.3571429 0.5000000 0.3172010), wk = 0.0026455 k( 250) = ( 0.3690476 0.5000000 0.3172010), wk = 0.0026455 k( 251) = ( 0.3809524 0.5000000 0.3172010), wk = 0.0026455 k( 252) = ( 0.3928571 0.5000000 0.3172010), wk = 0.0026455 k( 253) = ( 0.4047619 0.5000000 0.3172010), wk = 0.0026455 k( 254) = ( 0.4166667 0.5000000 0.3172010), wk = 0.0026455 k( 255) = ( 0.4285714 0.5000000 0.3172010), wk = 0.0026455 k( 256) = ( 0.4404762 0.5000000 0.3172010), wk = 0.0026455 k( 257) = ( 0.4523810 0.5000000 0.3172010), wk = 0.0026455 k( 258) = ( 0.4642857 0.5000000 0.3172010), wk = 0.0026455 k( 259) = ( 0.4761905 0.5000000 0.3172010), wk = 0.0026455 k( 260) = ( 0.4880952 0.5000000 0.3172010), wk = 0.0026455 k( 261) = ( 0.5000000 0.5000000 0.3172010), wk = 0.0026455 k( 262) = ( 0.5000000 0.5000000 0.3172010), wk = 0.0026455 k( 263) = ( 0.4916667 0.4916667 0.3172010), wk = 0.0026455 k( 264) = ( 0.4833333 0.4833333 0.3172010), wk = 0.0026455 k( 265) = ( 0.4750000 0.4750000 0.3172010), wk = 0.0026455 k( 266) = ( 0.4666667 0.4666667 0.3172010), wk = 0.0026455 k( 267) = ( 0.4583333 0.4583333 0.3172010), wk = 0.0026455 k( 268) = ( 0.4500000 0.4500000 0.3172010), wk = 0.0026455 k( 269) = ( 0.4416667 0.4416667 0.3172010), wk = 0.0026455 k( 270) = ( 0.4333333 0.4333333 0.3172010), wk = 0.0026455 k( 271) = ( 0.4250000 0.4250000 0.3172010), wk = 0.0026455 k( 272) = ( 0.4166667 0.4166667 0.3172010), wk = 0.0026455 k( 273) = ( 0.4083333 0.4083333 0.3172010), wk = 0.0026455 k( 274) = ( 0.4000000 0.4000000 0.3172010), wk = 0.0026455 k( 275) = ( 0.3916667 0.3916667 0.3172010), wk = 0.0026455 k( 276) = ( 0.3833333 0.3833333 0.3172010), wk = 0.0026455 k( 277) = ( 0.3750000 0.3750000 0.3172010), wk = 0.0026455 k( 278) = ( 0.3666667 0.3666667 0.3172010), wk = 0.0026455 k( 279) = ( 0.3583333 0.3583333 0.3172010), wk = 0.0026455 k( 280) = ( 0.3500000 0.3500000 0.3172010), wk = 0.0026455 k( 281) = ( 0.3416667 0.3416667 0.3172010), wk = 0.0026455 k( 282) = ( 0.3333333 0.3333333 0.3172010), wk = 0.0026455 k( 283) = ( 0.3250000 0.3250000 0.3172010), wk = 0.0026455 k( 284) = ( 0.3166667 0.3166667 0.3172010), wk = 0.0026455 k( 285) = ( 0.3083333 0.3083333 0.3172010), wk = 0.0026455 k( 286) = ( 0.3000000 0.3000000 0.3172010), wk = 0.0026455 k( 287) = ( 0.2916667 0.2916667 0.3172010), wk = 0.0026455 k( 288) = ( 0.2833333 0.2833333 0.3172010), wk = 0.0026455 k( 289) = ( 0.2750000 0.2750000 0.3172010), wk = 0.0026455 k( 290) = ( 0.2666667 0.2666667 0.3172010), wk = 0.0026455 k( 291) = ( 0.2583333 0.2583333 0.3172010), wk = 0.0026455 k( 292) = ( 0.2500000 0.2500000 0.3172010), wk = 0.0026455 k( 293) = ( 0.2416667 0.2416667 0.3172010), wk = 0.0026455 k( 294) = ( 0.2333333 0.2333333 0.3172010), wk = 0.0026455 k( 295) = ( 0.2250000 0.2250000 0.3172010), wk = 0.0026455 k( 296) = ( 0.2166667 0.2166667 0.3172010), wk = 0.0026455 k( 297) = ( 0.2083333 0.2083333 0.3172010), wk = 0.0026455 k( 298) = ( 0.2000000 0.2000000 0.3172010), wk = 0.0026455 k( 299) = ( 0.1916667 0.1916667 0.3172010), wk = 0.0026455 k( 300) = ( 0.1833333 0.1833333 0.3172010), wk = 0.0026455 k( 301) = ( 0.1750000 0.1750000 0.3172010), wk = 0.0026455 k( 302) = ( 0.1666667 0.1666667 0.3172010), wk = 0.0026455 k( 303) = ( 0.1583333 0.1583333 0.3172010), wk = 0.0026455 k( 304) = ( 0.1500000 0.1500000 0.3172010), wk = 0.0026455 k( 305) = ( 0.1416667 0.1416667 0.3172010), wk = 0.0026455 k( 306) = ( 0.1333333 0.1333333 0.3172010), wk = 0.0026455 k( 307) = ( 0.1250000 0.1250000 0.3172010), wk = 0.0026455 k( 308) = ( 0.1166667 0.1166667 0.3172010), wk = 0.0026455 k( 309) = ( 0.1083333 0.1083333 0.3172010), wk = 0.0026455 k( 310) = ( 0.1000000 0.1000000 0.3172010), wk = 0.0026455 k( 311) = ( 0.0916667 0.0916667 0.3172010), wk = 0.0026455 k( 312) = ( 0.0833333 0.0833333 0.3172010), wk = 0.0026455 k( 313) = ( 0.0750000 0.0750000 0.3172010), wk = 0.0026455 k( 314) = ( 0.0666667 0.0666667 0.3172010), wk = 0.0026455 k( 315) = ( 0.0583333 0.0583333 0.3172010), wk = 0.0026455 k( 316) = ( 0.0500000 0.0500000 0.3172010), wk = 0.0026455 k( 317) = ( 0.0416667 0.0416667 0.3172010), wk = 0.0026455 k( 318) = ( 0.0333333 0.0333333 0.3172010), wk = 0.0026455 k( 319) = ( 0.0250000 0.0250000 0.3172010), wk = 0.0026455 k( 320) = ( 0.0166667 0.0166667 0.3172010), wk = 0.0026455 k( 321) = ( 0.0083333 0.0083333 0.3172010), wk = 0.0026455 k( 322) = ( 0.0000000 0.0000000 0.3172010), wk = 0.0026455 k( 323) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 324) = ( 0.0000000 0.5000000 0.0117482), wk = 0.0026455 k( 325) = ( 0.0000000 0.5000000 0.0234964), wk = 0.0026455 k( 326) = ( 0.0000000 0.5000000 0.0352446), wk = 0.0026455 k( 327) = ( 0.0000000 0.5000000 0.0469927), wk = 0.0026455 k( 328) = ( 0.0000000 0.5000000 0.0587409), wk = 0.0026455 k( 329) = ( 0.0000000 0.5000000 0.0704891), wk = 0.0026455 k( 330) = ( 0.0000000 0.5000000 0.0822373), wk = 0.0026455 k( 331) = ( 0.0000000 0.5000000 0.0939855), wk = 0.0026455 k( 332) = ( 0.0000000 0.5000000 0.1057337), wk = 0.0026455 k( 333) = ( 0.0000000 0.5000000 0.1174819), wk = 0.0026455 k( 334) = ( 0.0000000 0.5000000 0.1292301), wk = 0.0026455 k( 335) = ( 0.0000000 0.5000000 0.1409782), wk = 0.0026455 k( 336) = ( 0.0000000 0.5000000 0.1527264), wk = 0.0026455 k( 337) = ( 0.0000000 0.5000000 0.1644746), wk = 0.0026455 k( 338) = ( 0.0000000 0.5000000 0.1762228), wk = 0.0026455 k( 339) = ( 0.0000000 0.5000000 0.1879710), wk = 0.0026455 k( 340) = ( 0.0000000 0.5000000 0.1997192), wk = 0.0026455 k( 341) = ( 0.0000000 0.5000000 0.2114674), wk = 0.0026455 k( 342) = ( 0.0000000 0.5000000 0.2232155), wk = 0.0026455 k( 343) = ( 0.0000000 0.5000000 0.2349637), wk = 0.0026455 k( 344) = ( 0.0000000 0.5000000 0.2467119), wk = 0.0026455 k( 345) = ( 0.0000000 0.5000000 0.2584601), wk = 0.0026455 k( 346) = ( 0.0000000 0.5000000 0.2702083), wk = 0.0026455 k( 347) = ( 0.0000000 0.5000000 0.2819565), wk = 0.0026455 k( 348) = ( 0.0000000 0.5000000 0.2937047), wk = 0.0026455 k( 349) = ( 0.0000000 0.5000000 0.3054529), wk = 0.0026455 k( 350) = ( 0.0000000 0.5000000 0.3172010), wk = 0.0026455 k( 351) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 352) = ( 0.5000000 0.5000000 0.0117482), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 0.0234964), wk = 0.0026455 k( 354) = ( 0.5000000 0.5000000 0.0352446), wk = 0.0026455 k( 355) = ( 0.5000000 0.5000000 0.0469927), wk = 0.0026455 k( 356) = ( 0.5000000 0.5000000 0.0587409), wk = 0.0026455 k( 357) = ( 0.5000000 0.5000000 0.0704891), wk = 0.0026455 k( 358) = ( 0.5000000 0.5000000 0.0822373), wk = 0.0026455 k( 359) = ( 0.5000000 0.5000000 0.0939855), wk = 0.0026455 k( 360) = ( 0.5000000 0.5000000 0.1057337), wk = 0.0026455 k( 361) = ( 0.5000000 0.5000000 0.1174819), wk = 0.0026455 k( 362) = ( 0.5000000 0.5000000 0.1292301), wk = 0.0026455 k( 363) = ( 0.5000000 0.5000000 0.1409782), wk = 0.0026455 k( 364) = ( 0.5000000 0.5000000 0.1527264), wk = 0.0026455 k( 365) = ( 0.5000000 0.5000000 0.1644746), wk = 0.0026455 k( 366) = ( 0.5000000 0.5000000 0.1762228), wk = 0.0026455 k( 367) = ( 0.5000000 0.5000000 0.1879710), wk = 0.0026455 k( 368) = ( 0.5000000 0.5000000 0.1997192), wk = 0.0026455 k( 369) = ( 0.5000000 0.5000000 0.2114674), wk = 0.0026455 k( 370) = ( 0.5000000 0.5000000 0.2232155), wk = 0.0026455 k( 371) = ( 0.5000000 0.5000000 0.2349637), wk = 0.0026455 k( 372) = ( 0.5000000 0.5000000 0.2467119), wk = 0.0026455 k( 373) = ( 0.5000000 0.5000000 0.2584601), wk = 0.0026455 k( 374) = ( 0.5000000 0.5000000 0.2702083), wk = 0.0026455 k( 375) = ( 0.5000000 0.5000000 0.2819565), wk = 0.0026455 k( 376) = ( 0.5000000 0.5000000 0.2937047), wk = 0.0026455 k( 377) = ( 0.5000000 0.5000000 0.3054529), wk = 0.0026455 k( 378) = ( 0.5000000 0.5000000 0.3172010), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0026455 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0026455 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026455 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0026455 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0026455 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0026455 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026455 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0026455 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0026455 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026455 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0026455 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0026455 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0026455 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0026455 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0026455 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0026455 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0026455 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0026455 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0026455 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0026455 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0026455 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0026455 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0026455 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0026455 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0026455 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0026455 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0026455 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0026455 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0026455 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0026455 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0026455 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0026455 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0026455 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0026455 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0026455 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0026455 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0026455 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0026455 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0026455 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0026455 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0026455 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0026455 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0026455 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0026455 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0026455 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0026455 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0026455 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026455 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0026455 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0026455 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026455 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0026455 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0026455 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026455 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0026455 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0026455 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0026455 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026455 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0026455 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0026455 k( 75) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0026455 k( 76) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0026455 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026455 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0026455 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0026455 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026455 k( 81) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0026455 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0026455 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0026455 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0026455 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0026455 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 88) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0026455 k( 89) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0026455 k( 90) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0026455 k( 91) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0026455 k( 92) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0026455 k( 93) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0026455 k( 94) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0026455 k( 95) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0026455 k( 96) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0026455 k( 97) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0026455 k( 98) = ( 0.4083333 0.4083333 0.0000000), wk = 0.0026455 k( 99) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0026455 k( 100) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0026455 k( 101) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0026455 k( 102) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0026455 k( 103) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0026455 k( 104) = ( 0.3583333 0.3583333 0.0000000), wk = 0.0026455 k( 105) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0026455 k( 106) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0026455 k( 107) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026455 k( 108) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0026455 k( 109) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0026455 k( 110) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0026455 k( 111) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0026455 k( 112) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0026455 k( 113) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0026455 k( 114) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0026455 k( 115) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0026455 k( 116) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0026455 k( 117) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026455 k( 118) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0026455 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0026455 k( 120) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0026455 k( 121) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0026455 k( 122) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0026455 k( 123) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0026455 k( 124) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0026455 k( 125) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0026455 k( 126) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0026455 k( 127) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0026455 k( 128) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0026455 k( 129) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0026455 k( 130) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0026455 k( 131) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0026455 k( 132) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0026455 k( 133) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0026455 k( 134) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0026455 k( 135) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0026455 k( 136) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0026455 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0026455 k( 138) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0026455 k( 139) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0026455 k( 140) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0026455 k( 141) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0026455 k( 142) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0026455 k( 143) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0026455 k( 144) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0026455 k( 145) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0026455 k( 146) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0026455 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 149) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0026455 k( 150) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 177) = ( 0.0000000 0.0119048 0.5000000), wk = 0.0026455 k( 178) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0026455 k( 179) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0026455 k( 180) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0026455 k( 181) = ( 0.0000000 0.0595238 0.5000000), wk = 0.0026455 k( 182) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0026455 k( 183) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0026455 k( 184) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0026455 k( 185) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0026455 k( 186) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0026455 k( 187) = ( 0.0000000 0.1309524 0.5000000), wk = 0.0026455 k( 188) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0026455 k( 189) = ( 0.0000000 0.1547619 0.5000000), wk = 0.0026455 k( 190) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0026455 k( 191) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0026455 k( 192) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0026455 k( 193) = ( 0.0000000 0.2023810 0.5000000), wk = 0.0026455 k( 194) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0026455 k( 195) = ( 0.0000000 0.2261905 0.5000000), wk = 0.0026455 k( 196) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0026455 k( 197) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026455 k( 198) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0026455 k( 199) = ( 0.0000000 0.2738095 0.5000000), wk = 0.0026455 k( 200) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0026455 k( 201) = ( 0.0000000 0.2976190 0.5000000), wk = 0.0026455 k( 202) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0026455 k( 203) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0026455 k( 204) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0026455 k( 205) = ( 0.0000000 0.3452381 0.5000000), wk = 0.0026455 k( 206) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0026455 k( 207) = ( 0.0000000 0.3690476 0.5000000), wk = 0.0026455 k( 208) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0026455 k( 209) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0026455 k( 210) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0026455 k( 211) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0026455 k( 212) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0026455 k( 213) = ( 0.0000000 0.4404762 0.5000000), wk = 0.0026455 k( 214) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0026455 k( 215) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0026455 k( 216) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0026455 k( 217) = ( 0.0000000 0.4880952 0.5000000), wk = 0.0026455 k( 218) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 219) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 220) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0026455 k( 221) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0026455 k( 222) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0026455 k( 223) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0026455 k( 224) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0026455 k( 225) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0026455 k( 226) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0026455 k( 227) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0026455 k( 228) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0026455 k( 229) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0026455 k( 230) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0026455 k( 231) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0026455 k( 232) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0026455 k( 233) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0026455 k( 234) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0026455 k( 235) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0026455 k( 236) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0026455 k( 237) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0026455 k( 238) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0026455 k( 239) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0026455 k( 240) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026455 k( 241) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0026455 k( 242) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0026455 k( 243) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0026455 k( 244) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0026455 k( 245) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0026455 k( 246) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0026455 k( 247) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0026455 k( 248) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0026455 k( 249) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0026455 k( 250) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0026455 k( 251) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0026455 k( 252) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0026455 k( 253) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0026455 k( 254) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0026455 k( 255) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0026455 k( 256) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0026455 k( 257) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0026455 k( 258) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0026455 k( 259) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0026455 k( 260) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0026455 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 263) = ( 0.4916667 0.4916667 0.5000000), wk = 0.0026455 k( 264) = ( 0.4833333 0.4833333 0.5000000), wk = 0.0026455 k( 265) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0026455 k( 266) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0026455 k( 267) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0026455 k( 268) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0026455 k( 269) = ( 0.4416667 0.4416667 0.5000000), wk = 0.0026455 k( 270) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0026455 k( 271) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0026455 k( 272) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0026455 k( 273) = ( 0.4083333 0.4083333 0.5000000), wk = 0.0026455 k( 274) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0026455 k( 275) = ( 0.3916667 0.3916667 0.5000000), wk = 0.0026455 k( 276) = ( 0.3833333 0.3833333 0.5000000), wk = 0.0026455 k( 277) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0026455 k( 278) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0026455 k( 279) = ( 0.3583333 0.3583333 0.5000000), wk = 0.0026455 k( 280) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0026455 k( 281) = ( 0.3416667 0.3416667 0.5000000), wk = 0.0026455 k( 282) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 k( 283) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0026455 k( 284) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0026455 k( 285) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0026455 k( 286) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0026455 k( 287) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0026455 k( 288) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0026455 k( 289) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0026455 k( 290) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0026455 k( 291) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0026455 k( 292) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026455 k( 293) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0026455 k( 294) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0026455 k( 295) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0026455 k( 296) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0026455 k( 297) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0026455 k( 298) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0026455 k( 299) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0026455 k( 300) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0026455 k( 301) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0026455 k( 302) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026455 k( 303) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0026455 k( 304) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0026455 k( 305) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0026455 k( 306) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0026455 k( 307) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0026455 k( 308) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0026455 k( 309) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0026455 k( 310) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0026455 k( 311) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0026455 k( 312) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0026455 k( 313) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0026455 k( 314) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0026455 k( 315) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0026455 k( 316) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0026455 k( 317) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0026455 k( 318) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0026455 k( 319) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0026455 k( 320) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0026455 k( 321) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0026455 k( 322) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 323) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 324) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0026455 k( 325) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0026455 k( 326) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0026455 k( 327) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0026455 k( 328) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0026455 k( 329) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0026455 k( 330) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0026455 k( 331) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0026455 k( 332) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026455 k( 333) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0026455 k( 334) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0026455 k( 335) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0026455 k( 336) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0026455 k( 337) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0026455 k( 338) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0026455 k( 339) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0026455 k( 340) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0026455 k( 341) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026455 k( 342) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0026455 k( 343) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0026455 k( 344) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0026455 k( 345) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0026455 k( 346) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0026455 k( 347) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0026455 k( 348) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0026455 k( 349) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0026455 k( 350) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 351) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 352) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0026455 k( 354) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0026455 k( 355) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0026455 k( 356) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0026455 k( 357) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0026455 k( 358) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0026455 k( 359) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0026455 k( 360) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0026455 k( 361) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0026455 k( 362) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0026455 k( 363) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0026455 k( 364) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0026455 k( 365) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0026455 k( 366) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0026455 k( 367) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0026455 k( 368) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0026455 k( 369) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0026455 k( 370) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0026455 k( 371) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0026455 k( 372) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0026455 k( 373) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0026455 k( 374) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0026455 k( 375) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0026455 k( 376) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0026455 k( 377) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0026455 k( 378) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026455 Dense grid: 35179 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 23973 G-vectors FFT dimensions: ( 32, 32, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 170, 36) NL pseudopotentials 0.18 Mb ( 85, 136) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 976) G-vector shells 0.00 Mb ( 501) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 170, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.15 Mb ( 136, 2, 36) The potential is recalculated from file : ./FeTe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.6 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.2 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.9 secs Computing kpt #: 14 total cpu time spent up to now is 5.1 secs Computing kpt #: 15 total cpu time spent up to now is 5.3 secs Computing kpt #: 16 total cpu time spent up to now is 5.5 secs Computing kpt #: 17 total cpu time spent up to now is 5.7 secs Computing kpt #: 18 total cpu time spent up to now is 5.9 secs Computing kpt #: 19 total cpu time spent up to now is 6.1 secs Computing kpt #: 20 total cpu time spent up to now is 6.3 secs Computing kpt #: 21 total cpu time spent up to now is 6.5 secs Computing kpt #: 22 total cpu time spent up to now is 6.7 secs Computing kpt #: 23 total cpu time spent up to now is 6.9 secs Computing kpt #: 24 total cpu time spent up to now is 7.1 secs Computing kpt #: 25 total cpu time spent up to now is 7.3 secs Computing kpt #: 26 total cpu time spent up to now is 7.4 secs Computing kpt #: 27 total cpu time spent up to now is 7.6 secs Computing kpt #: 28 total cpu time spent up to now is 7.8 secs Computing kpt #: 29 total cpu time spent up to now is 8.0 secs Computing kpt #: 30 total cpu time spent up to now is 8.2 secs Computing kpt #: 31 total cpu time spent up to now is 8.4 secs Computing kpt #: 32 total cpu time spent up to now is 8.6 secs Computing kpt #: 33 total cpu time spent up to now is 8.8 secs Computing kpt #: 34 total cpu time spent up to now is 9.0 secs Computing kpt #: 35 total cpu time spent up to now is 9.2 secs Computing kpt #: 36 total cpu time spent up to now is 9.4 secs Computing kpt #: 37 total cpu time spent up to now is 9.9 secs Computing kpt #: 38 total cpu time spent up to now is 10.0 secs Computing kpt #: 39 total cpu time spent up to now is 10.2 secs Computing kpt #: 40 total cpu time spent up to now is 10.4 secs Computing kpt #: 41 total cpu time spent up to now is 10.6 secs Computing kpt #: 42 total cpu time spent up to now is 10.8 secs Computing kpt #: 43 total cpu time spent up to now is 11.0 secs Computing kpt #: 44 total cpu time spent up to now is 11.2 secs Computing kpt #: 45 total cpu time spent up to now is 11.3 secs Computing kpt #: 46 total cpu time spent up to now is 11.5 secs Computing kpt #: 47 total cpu time spent up to now is 11.7 secs Computing kpt #: 48 total cpu time spent up to now is 11.9 secs Computing kpt #: 49 total cpu time spent up to now is 12.1 secs Computing kpt #: 50 total cpu time spent up to now is 12.3 secs Computing kpt #: 51 total cpu time spent up to now is 12.5 secs Computing kpt #: 52 total cpu time spent up to now is 12.7 secs Computing kpt #: 53 total cpu time spent up to now is 12.9 secs Computing kpt #: 54 total cpu time spent up to now is 13.1 secs Computing kpt #: 55 total cpu time spent up to now is 13.2 secs Computing kpt #: 56 total cpu time spent up to now is 13.4 secs Computing kpt #: 57 total cpu time spent up to now is 13.6 secs Computing kpt #: 58 total cpu time spent up to now is 13.8 secs Computing kpt #: 59 total cpu time spent up to now is 14.0 secs Computing kpt #: 60 total cpu time spent up to now is 14.2 secs Computing kpt #: 61 total cpu time spent up to now is 14.4 secs Computing kpt #: 62 total cpu time spent up to now is 14.6 secs Computing kpt #: 63 total cpu time spent up to now is 14.8 secs Computing kpt #: 64 total cpu time spent up to now is 15.0 secs Computing kpt #: 65 total cpu time spent up to now is 15.2 secs Computing kpt #: 66 total cpu time spent up to now is 15.4 secs Computing kpt #: 67 total cpu time spent up to now is 15.6 secs Computing kpt #: 68 total cpu time spent up to now is 15.8 secs Computing kpt #: 69 total cpu time spent up to now is 16.0 secs Computing kpt #: 70 total cpu time spent up to now is 16.2 secs Computing kpt #: 71 total cpu time spent up to now is 16.4 secs Computing kpt #: 72 total cpu time spent up to now is 16.6 secs Computing kpt #: 73 total cpu time spent up to now is 16.8 secs Computing kpt #: 74 total cpu time spent up to now is 17.0 secs Computing kpt #: 75 total cpu time spent up to now is 17.2 secs Computing kpt #: 76 total cpu time spent up to now is 17.4 secs Computing kpt #: 77 total cpu time spent up to now is 17.6 secs Computing kpt #: 78 total cpu time spent up to now is 17.8 secs Computing kpt #: 79 total cpu time spent up to now is 18.0 secs Computing kpt #: 80 total cpu time spent up to now is 18.3 secs Computing kpt #: 81 total cpu time spent up to now is 18.5 secs Computing kpt #: 82 total cpu time spent up to now is 18.7 secs Computing kpt #: 83 total cpu time spent up to now is 18.9 secs Computing kpt #: 84 total cpu time spent up to now is 19.1 secs Computing kpt #: 85 total cpu time spent up to now is 19.3 secs Computing kpt #: 86 total cpu time spent up to now is 19.5 secs Computing kpt #: 87 total cpu time spent up to now is 19.7 secs Computing kpt #: 88 total cpu time spent up to now is 19.9 secs Computing kpt #: 89 total cpu time spent up to now is 20.1 secs Computing kpt #: 90 total cpu time spent up to now is 20.3 secs Computing kpt #: 91 total cpu time spent up to now is 20.5 secs Computing kpt #: 92 total cpu time spent up to now is 20.7 secs Computing kpt #: 93 total cpu time spent up to now is 20.9 secs Computing kpt #: 94 total cpu time spent up to now is 21.1 secs Computing kpt #: 95 total cpu time spent up to now is 21.3 secs Computing kpt #: 96 total cpu time spent up to now is 21.5 secs Computing kpt #: 97 total cpu time spent up to now is 21.7 secs Computing kpt #: 98 total cpu time spent up to now is 21.9 secs Computing kpt #: 99 total cpu time spent up to now is 22.1 secs Computing kpt #: 100 total cpu time spent up to now is 22.3 secs Computing kpt #: 101 total cpu time spent up to now is 22.5 secs Computing kpt #: 102 total cpu time spent up to now is 22.7 secs Computing kpt #: 103 total cpu time spent up to now is 22.9 secs Computing kpt #: 104 total cpu time spent up to now is 23.1 secs Computing kpt #: 105 total cpu time spent up to now is 23.3 secs Computing kpt #: 106 total cpu time spent up to now is 23.5 secs Computing kpt #: 107 total cpu time spent up to now is 23.7 secs Computing kpt #: 108 total cpu time spent up to now is 23.9 secs Computing kpt #: 109 total cpu time spent up to now is 24.1 secs Computing kpt #: 110 total cpu time spent up to now is 24.3 secs Computing kpt #: 111 total cpu time spent up to now is 24.5 secs Computing kpt #: 112 total cpu time spent up to now is 24.7 secs Computing kpt #: 113 total cpu time spent up to now is 24.9 secs Computing kpt #: 114 total cpu time spent up to now is 25.1 secs Computing kpt #: 115 total cpu time spent up to now is 25.3 secs Computing kpt #: 116 total cpu time spent up to now is 25.5 secs Computing kpt #: 117 total cpu time spent up to now is 25.7 secs Computing kpt #: 118 total cpu time spent up to now is 25.9 secs Computing kpt #: 119 total cpu time spent up to now is 26.0 secs Computing kpt #: 120 total cpu time spent up to now is 26.2 secs Computing kpt #: 121 total cpu time spent up to now is 26.4 secs Computing kpt #: 122 total cpu time spent up to now is 26.6 secs Computing kpt #: 123 total cpu time spent up to now is 26.8 secs Computing kpt #: 124 total cpu time spent up to now is 27.0 secs Computing kpt #: 125 total cpu time spent up to now is 27.2 secs Computing kpt #: 126 total cpu time spent up to now is 27.4 secs Computing kpt #: 127 total cpu time spent up to now is 27.6 secs Computing kpt #: 128 total cpu time spent up to now is 27.8 secs Computing kpt #: 129 total cpu time spent up to now is 28.0 secs Computing kpt #: 130 total cpu time spent up to now is 28.2 secs Computing kpt #: 131 total cpu time spent up to now is 28.4 secs Computing kpt #: 132 total cpu time spent up to now is 28.6 secs Computing kpt #: 133 total cpu time spent up to now is 28.8 secs Computing kpt #: 134 total cpu time spent up to now is 29.0 secs Computing kpt #: 135 total cpu time spent up to now is 29.2 secs Computing kpt #: 136 total cpu time spent up to now is 29.4 secs Computing kpt #: 137 total cpu time spent up to now is 29.6 secs Computing kpt #: 138 total cpu time spent up to now is 29.9 secs Computing kpt #: 139 total cpu time spent up to now is 30.1 secs Computing kpt #: 140 total cpu time spent up to now is 30.3 secs Computing kpt #: 141 total cpu time spent up to now is 30.5 secs Computing kpt #: 142 total cpu time spent up to now is 30.7 secs Computing kpt #: 143 total cpu time spent up to now is 31.0 secs Computing kpt #: 144 total cpu time spent up to now is 31.2 secs Computing kpt #: 145 total cpu time spent up to now is 31.4 secs Computing kpt #: 146 total cpu time spent up to now is 31.6 secs Computing kpt #: 147 total cpu time spent up to now is 31.8 secs Computing kpt #: 148 total cpu time spent up to now is 32.0 secs Computing kpt #: 149 total cpu time spent up to now is 32.2 secs Computing kpt #: 150 total cpu time spent up to now is 32.4 secs Computing kpt #: 151 total cpu time spent up to now is 32.6 secs Computing kpt #: 152 total cpu time spent up to now is 32.9 secs Computing kpt #: 153 total cpu time spent up to now is 33.1 secs Computing kpt #: 154 total cpu time spent up to now is 33.3 secs Computing kpt #: 155 total cpu time spent up to now is 33.5 secs Computing kpt #: 156 total cpu time spent up to now is 33.7 secs Computing kpt #: 157 total cpu time spent up to now is 33.9 secs Computing kpt #: 158 total cpu time spent up to now is 34.1 secs Computing kpt #: 159 total cpu time spent up to now is 34.3 secs Computing kpt #: 160 total cpu time spent up to now is 34.5 secs Computing kpt #: 161 total cpu time spent up to now is 34.7 secs Computing kpt #: 162 total cpu time spent up to now is 34.8 secs Computing kpt #: 163 total cpu time spent up to now is 35.0 secs Computing kpt #: 164 total cpu time spent up to now is 35.2 secs Computing kpt #: 165 total cpu time spent up to now is 35.4 secs Computing kpt #: 166 total cpu time spent up to now is 35.6 secs Computing kpt #: 167 total cpu time spent up to now is 35.8 secs Computing kpt #: 168 total cpu time spent up to now is 36.0 secs Computing kpt #: 169 total cpu time spent up to now is 36.2 secs Computing kpt #: 170 total cpu time spent up to now is 36.4 secs Computing kpt #: 171 total cpu time spent up to now is 36.6 secs Computing kpt #: 172 total cpu time spent up to now is 36.7 secs Computing kpt #: 173 total cpu time spent up to now is 36.9 secs Computing kpt #: 174 total cpu time spent up to now is 37.1 secs Computing kpt #: 175 total cpu time spent up to now is 37.3 secs Computing kpt #: 176 total cpu time spent up to now is 37.5 secs Computing kpt #: 177 total cpu time spent up to now is 37.7 secs Computing kpt #: 178 total cpu time spent up to now is 37.9 secs Computing kpt #: 179 total cpu time spent up to now is 38.1 secs Computing kpt #: 180 total cpu time spent up to now is 38.3 secs Computing kpt #: 181 total cpu time spent up to now is 38.4 secs Computing kpt #: 182 total cpu time spent up to now is 38.6 secs Computing kpt #: 183 total cpu time spent up to now is 38.8 secs Computing kpt #: 184 total cpu time spent up to now is 39.0 secs Computing kpt #: 185 total cpu time spent up to now is 39.2 secs Computing kpt #: 186 total cpu time spent up to now is 39.5 secs Computing kpt #: 187 total cpu time spent up to now is 39.7 secs Computing kpt #: 188 total cpu time spent up to now is 39.8 secs Computing kpt #: 189 total cpu time spent up to now is 40.0 secs Computing kpt #: 190 total cpu time spent up to now is 40.2 secs Computing kpt #: 191 total cpu time spent up to now is 40.4 secs Computing kpt #: 192 total cpu time spent up to now is 40.6 secs Computing kpt #: 193 total cpu time spent up to now is 40.8 secs Computing kpt #: 194 total cpu time spent up to now is 41.0 secs Computing kpt #: 195 total cpu time spent up to now is 41.2 secs Computing kpt #: 196 total cpu time spent up to now is 41.4 secs Computing kpt #: 197 total cpu time spent up to now is 41.6 secs Computing kpt #: 198 total cpu time spent up to now is 41.8 secs Computing kpt #: 199 total cpu time spent up to now is 42.0 secs Computing kpt #: 200 total cpu time spent up to now is 42.2 secs Computing kpt #: 201 total cpu time spent up to now is 42.6 secs Computing kpt #: 202 total cpu time spent up to now is 42.9 secs Computing kpt #: 203 total cpu time spent up to now is 43.1 secs Computing kpt #: 204 total cpu time spent up to now is 43.3 secs Computing kpt #: 205 total cpu time spent up to now is 43.5 secs Computing kpt #: 206 total cpu time spent up to now is 43.7 secs Computing kpt #: 207 total cpu time spent up to now is 43.9 secs Computing kpt #: 208 total cpu time spent up to now is 44.1 secs Computing kpt #: 209 total cpu time spent up to now is 44.3 secs Computing kpt #: 210 total cpu time spent up to now is 45.0 secs Computing kpt #: 211 total cpu time spent up to now is 45.2 secs Computing kpt #: 212 total cpu time spent up to now is 45.4 secs Computing kpt #: 213 total cpu time spent up to now is 45.6 secs Computing kpt #: 214 total cpu time spent up to now is 45.8 secs Computing kpt #: 215 total cpu time spent up to now is 46.0 secs Computing kpt #: 216 total cpu time spent up to now is 46.3 secs Computing kpt #: 217 total cpu time spent up to now is 46.5 secs Computing kpt #: 218 total cpu time spent up to now is 46.7 secs Computing kpt #: 219 total cpu time spent up to now is 46.9 secs Computing kpt #: 220 total cpu time spent up to now is 47.1 secs Computing kpt #: 221 total cpu time spent up to now is 47.3 secs Computing kpt #: 222 total cpu time spent up to now is 47.5 secs Computing kpt #: 223 total cpu time spent up to now is 47.7 secs Computing kpt #: 224 total cpu time spent up to now is 47.9 secs Computing kpt #: 225 total cpu time spent up to now is 48.1 secs Computing kpt #: 226 total cpu time spent up to now is 48.3 secs Computing kpt #: 227 total cpu time spent up to now is 48.5 secs Computing kpt #: 228 total cpu time spent up to now is 48.8 secs Computing kpt #: 229 total cpu time spent up to now is 49.0 secs Computing kpt #: 230 total cpu time spent up to now is 49.2 secs Computing kpt #: 231 total cpu time spent up to now is 49.4 secs Computing kpt #: 232 total cpu time spent up to now is 49.6 secs Computing kpt #: 233 total cpu time spent up to now is 49.8 secs Computing kpt #: 234 total cpu time spent up to now is 50.0 secs Computing kpt #: 235 total cpu time spent up to now is 50.2 secs Computing kpt #: 236 total cpu time spent up to now is 50.4 secs Computing kpt #: 237 total cpu time spent up to now is 50.6 secs Computing kpt #: 238 total cpu time spent up to now is 50.8 secs Computing kpt #: 239 total cpu time spent up to now is 51.0 secs Computing kpt #: 240 total cpu time spent up to now is 51.2 secs Computing kpt #: 241 total cpu time spent up to now is 51.4 secs Computing kpt #: 242 total cpu time spent up to now is 51.6 secs Computing kpt #: 243 total cpu time spent up to now is 51.8 secs Computing kpt #: 244 total cpu time spent up to now is 52.0 secs Computing kpt #: 245 total cpu time spent up to now is 52.2 secs Computing kpt #: 246 total cpu time spent up to now is 52.4 secs Computing kpt #: 247 total cpu time spent up to now is 52.6 secs Computing kpt #: 248 total cpu time spent up to now is 52.8 secs Computing kpt #: 249 total cpu time spent up to now is 53.0 secs Computing kpt #: 250 total cpu time spent up to now is 53.2 secs Computing kpt #: 251 total cpu time spent up to now is 53.3 secs Computing kpt #: 252 total cpu time spent up to now is 53.5 secs Computing kpt #: 253 total cpu time spent up to now is 53.7 secs Computing kpt #: 254 total cpu time spent up to now is 53.9 secs Computing kpt #: 255 total cpu time spent up to now is 54.1 secs Computing kpt #: 256 total cpu time spent up to now is 54.3 secs Computing kpt #: 257 total cpu time spent up to now is 54.4 secs Computing kpt #: 258 total cpu time spent up to now is 54.6 secs Computing kpt #: 259 total cpu time spent up to now is 54.8 secs Computing kpt #: 260 total cpu time spent up to now is 55.0 secs Computing kpt #: 261 total cpu time spent up to now is 55.2 secs Computing kpt #: 262 total cpu time spent up to now is 55.3 secs Computing kpt #: 263 total cpu time spent up to now is 55.5 secs Computing kpt #: 264 total cpu time spent up to now is 55.7 secs Computing kpt #: 265 total cpu time spent up to now is 55.9 secs Computing kpt #: 266 total cpu time spent up to now is 56.0 secs Computing kpt #: 267 total cpu time spent up to now is 56.2 secs Computing kpt #: 268 total cpu time spent up to now is 56.4 secs Computing kpt #: 269 total cpu time spent up to now is 56.6 secs Computing kpt #: 270 total cpu time spent up to now is 56.8 secs Computing kpt #: 271 total cpu time spent up to now is 56.9 secs Computing kpt #: 272 total cpu time spent up to now is 57.1 secs Computing kpt #: 273 total cpu time spent up to now is 57.3 secs Computing kpt #: 274 total cpu time spent up to now is 57.5 secs Computing kpt #: 275 total cpu time spent up to now is 57.7 secs Computing kpt #: 276 total cpu time spent up to now is 57.8 secs Computing kpt #: 277 total cpu time spent up to now is 58.0 secs Computing kpt #: 278 total cpu time spent up to now is 58.2 secs Computing kpt #: 279 total cpu time spent up to now is 58.4 secs Computing kpt #: 280 total cpu time spent up to now is 58.6 secs Computing kpt #: 281 total cpu time spent up to now is 58.8 secs Computing kpt #: 282 total cpu time spent up to now is 58.9 secs Computing kpt #: 283 total cpu time spent up to now is 59.1 secs Computing kpt #: 284 total cpu time spent up to now is 59.3 secs Computing kpt #: 285 total cpu time spent up to now is 59.5 secs Computing kpt #: 286 total cpu time spent up to now is 59.7 secs Computing kpt #: 287 total cpu time spent up to now is 59.8 secs Computing kpt #: 288 total cpu time spent up to now is 60.0 secs Computing kpt #: 289 total cpu time spent up to now is 60.2 secs Computing kpt #: 290 total cpu time spent up to now is 60.4 secs Computing kpt #: 291 total cpu time spent up to now is 60.6 secs Computing kpt #: 292 total cpu time spent up to now is 60.8 secs Computing kpt #: 293 total cpu time spent up to now is 60.9 secs Computing kpt #: 294 total cpu time spent up to now is 61.1 secs Computing kpt #: 295 total cpu time spent up to now is 61.3 secs Computing kpt #: 296 total cpu time spent up to now is 61.5 secs Computing kpt #: 297 total cpu time spent up to now is 61.7 secs Computing kpt #: 298 total cpu time spent up to now is 61.9 secs Computing kpt #: 299 total cpu time spent up to now is 62.1 secs Computing kpt #: 300 total cpu time spent up to now is 62.3 secs Computing kpt #: 301 total cpu time spent up to now is 62.5 secs Computing kpt #: 302 total cpu time spent up to now is 62.6 secs Computing kpt #: 303 total cpu time spent up to now is 62.8 secs Computing kpt #: 304 total cpu time spent up to now is 63.0 secs Computing kpt #: 305 total cpu time spent up to now is 63.2 secs Computing kpt #: 306 total cpu time spent up to now is 63.4 secs Computing kpt #: 307 total cpu time spent up to now is 63.6 secs Computing kpt #: 308 total cpu time spent up to now is 63.8 secs Computing kpt #: 309 total cpu time spent up to now is 64.0 secs Computing kpt #: 310 total cpu time spent up to now is 64.2 secs Computing kpt #: 311 total cpu time spent up to now is 64.3 secs Computing kpt #: 312 total cpu time spent up to now is 64.5 secs Computing kpt #: 313 total cpu time spent up to now is 64.7 secs Computing kpt #: 314 total cpu time spent up to now is 64.9 secs Computing kpt #: 315 total cpu time spent up to now is 65.1 secs Computing kpt #: 316 total cpu time spent up to now is 65.3 secs Computing kpt #: 317 total cpu time spent up to now is 65.5 secs Computing kpt #: 318 total cpu time spent up to now is 65.7 secs Computing kpt #: 319 total cpu time spent up to now is 65.9 secs Computing kpt #: 320 total cpu time spent up to now is 66.1 secs Computing kpt #: 321 total cpu time spent up to now is 66.3 secs Computing kpt #: 322 total cpu time spent up to now is 66.5 secs Computing kpt #: 323 total cpu time spent up to now is 66.7 secs Computing kpt #: 324 total cpu time spent up to now is 66.8 secs Computing kpt #: 325 total cpu time spent up to now is 67.0 secs Computing kpt #: 326 total cpu time spent up to now is 67.2 secs Computing kpt #: 327 total cpu time spent up to now is 67.4 secs Computing kpt #: 328 total cpu time spent up to now is 67.6 secs Computing kpt #: 329 total cpu time spent up to now is 67.7 secs Computing kpt #: 330 total cpu time spent up to now is 67.9 secs Computing kpt #: 331 total cpu time spent up to now is 68.1 secs Computing kpt #: 332 total cpu time spent up to now is 68.3 secs Computing kpt #: 333 total cpu time spent up to now is 68.5 secs Computing kpt #: 334 total cpu time spent up to now is 68.7 secs Computing kpt #: 335 total cpu time spent up to now is 68.9 secs Computing kpt #: 336 total cpu time spent up to now is 69.1 secs Computing kpt #: 337 total cpu time spent up to now is 69.3 secs Computing kpt #: 338 total cpu time spent up to now is 69.4 secs Computing kpt #: 339 total cpu time spent up to now is 69.6 secs Computing kpt #: 340 total cpu time spent up to now is 69.8 secs Computing kpt #: 341 total cpu time spent up to now is 70.0 secs Computing kpt #: 342 total cpu time spent up to now is 70.3 secs Computing kpt #: 343 total cpu time spent up to now is 70.5 secs Computing kpt #: 344 total cpu time spent up to now is 70.7 secs Computing kpt #: 345 total cpu time spent up to now is 70.9 secs Computing kpt #: 346 total cpu time spent up to now is 71.1 secs Computing kpt #: 347 total cpu time spent up to now is 71.3 secs Computing kpt #: 348 total cpu time spent up to now is 71.5 secs Computing kpt #: 349 total cpu time spent up to now is 71.7 secs Computing kpt #: 350 total cpu time spent up to now is 72.0 secs Computing kpt #: 351 total cpu time spent up to now is 72.2 secs Computing kpt #: 352 total cpu time spent up to now is 72.4 secs Computing kpt #: 353 total cpu time spent up to now is 72.6 secs Computing kpt #: 354 total cpu time spent up to now is 72.8 secs Computing kpt #: 355 total cpu time spent up to now is 73.0 secs Computing kpt #: 356 total cpu time spent up to now is 73.2 secs Computing kpt #: 357 total cpu time spent up to now is 73.4 secs Computing kpt #: 358 total cpu time spent up to now is 73.6 secs Computing kpt #: 359 total cpu time spent up to now is 73.8 secs Computing kpt #: 360 total cpu time spent up to now is 74.0 secs Computing kpt #: 361 total cpu time spent up to now is 74.2 secs Computing kpt #: 362 total cpu time spent up to now is 74.3 secs Computing kpt #: 363 total cpu time spent up to now is 74.5 secs Computing kpt #: 364 total cpu time spent up to now is 74.7 secs Computing kpt #: 365 total cpu time spent up to now is 74.9 secs Computing kpt #: 366 total cpu time spent up to now is 75.1 secs Computing kpt #: 367 total cpu time spent up to now is 75.3 secs Computing kpt #: 368 total cpu time spent up to now is 75.5 secs Computing kpt #: 369 total cpu time spent up to now is 75.7 secs Computing kpt #: 370 total cpu time spent up to now is 75.9 secs Computing kpt #: 371 total cpu time spent up to now is 76.0 secs Computing kpt #: 372 total cpu time spent up to now is 76.2 secs Computing kpt #: 373 total cpu time spent up to now is 76.4 secs Computing kpt #: 374 total cpu time spent up to now is 76.6 secs Computing kpt #: 375 total cpu time spent up to now is 76.8 secs Computing kpt #: 376 total cpu time spent up to now is 76.9 secs Computing kpt #: 377 total cpu time spent up to now is 77.1 secs Computing kpt #: 378 total cpu time spent up to now is 77.3 secs ethr = 3.57E-08, avg # of iterations = 11.9 total cpu time spent up to now is 77.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2985 PWs) bands (ev): -4.5528 -4.5528 -2.8820 -2.8820 2.6109 2.6109 4.9856 4.9856 5.3808 5.3808 5.5748 5.5748 6.1136 6.1136 6.2958 6.2958 6.5663 6.5663 7.6071 7.6071 7.8863 7.8863 8.7815 8.7815 8.8668 8.8668 8.9646 8.9646 9.4223 9.4223 9.6565 9.6565 11.4529 11.4529 11.8808 11.8808 k = 0.0000 0.0119-0.0000 ( 2989 PWs) bands (ev): -4.5517 -4.5517 -2.8817 -2.8817 2.6123 2.6123 4.9857 4.9857 5.3800 5.3800 5.5739 5.5739 6.1107 6.1107 6.2966 6.2966 6.5629 6.5629 7.6072 7.6072 7.8877 7.8877 8.7760 8.7760 8.8616 8.8616 8.9625 8.9625 9.4326 9.4326 9.6564 9.6564 11.4469 11.4469 11.8717 11.8717 k = 0.0000 0.0238-0.0000 ( 2989 PWs) bands (ev): -4.5484 -4.5484 -2.8807 -2.8807 2.6165 2.6165 4.9863 4.9863 5.3778 5.3778 5.5713 5.5713 6.1017 6.1017 6.2991 6.2991 6.5530 6.5530 7.6076 7.6076 7.8921 7.8921 8.7575 8.7575 8.8494 8.8494 8.9573 8.9573 9.4610 9.4610 9.6564 9.6564 11.4284 11.4284 11.8471 11.8471 k = 0.0000 0.0357-0.0000 ( 2985 PWs) bands (ev): -4.5430 -4.5430 -2.8791 -2.8791 2.6236 2.6236 4.9871 4.9871 5.3737 5.3737 5.5672 5.5672 6.0862 6.0862 6.3032 6.3032 6.5377 6.5377 7.6082 7.6082 7.8991 7.8991 8.7240 8.7240 8.8366 8.8366 8.9506 8.9506 9.5013 9.5013 9.6565 9.6565 11.3956 11.3956 11.8135 11.8135 k = 0.0000 0.0476-0.0000 ( 2981 PWs) bands (ev): -4.5355 -4.5355 -2.8770 -2.8770 2.6335 2.6335 4.9880 4.9880 5.3675 5.3675 5.5621 5.5621 6.0633 6.0633 6.3091 6.3091 6.5183 6.5183 7.6094 7.6094 7.9082 7.9082 8.6778 8.6778 8.8257 8.8257 8.9430 8.9430 9.5472 9.5472 9.6573 9.6573 11.3470 11.3470 11.7781 11.7781 k = 0.0000 0.0595-0.0000 ( 2985 PWs) bands (ev): -4.5258 -4.5258 -2.8743 -2.8743 2.6462 2.6462 4.9890 4.9890 5.3588 5.3588 5.5566 5.5566 6.0322 6.0322 6.3164 6.3164 6.4965 6.4965 7.6106 7.6106 7.9189 7.9189 8.6242 8.6242 8.8159 8.8159 8.9342 8.9342 9.5926 9.5926 9.6606 9.6606 11.2825 11.2825 11.7460 11.7460 k = 0.0000 0.0714-0.0000 ( 2983 PWs) bands (ev): -4.5140 -4.5140 -2.8710 -2.8710 2.6616 2.6616 4.9895 4.9895 5.3470 5.3470 5.5513 5.5513 5.9922 5.9922 6.3254 6.3254 6.4743 6.4743 7.6123 7.6123 7.9305 7.9305 8.5674 8.5674 8.8060 8.8060 8.9241 8.9241 9.6270 9.6270 9.6738 9.6738 11.2043 11.2043 11.7192 11.7192 k = 0.0000 0.0833-0.0000 ( 2991 PWs) bands (ev): -4.5001 -4.5001 -2.8672 -2.8672 2.6799 2.6799 4.9894 4.9894 5.3318 5.3318 5.5467 5.5467 5.9431 5.9431 6.3358 6.3358 6.4531 6.4531 7.6144 7.6144 7.9423 7.9423 8.5102 8.5102 8.7952 8.7952 8.9125 8.9125 9.6402 9.6402 9.7050 9.7050 11.1157 11.1157 11.6971 11.6971 k = 0.0000 0.0952-0.0000 ( 2991 PWs) bands (ev): -4.4841 -4.4841 -2.8630 -2.8630 2.7008 2.7008 4.9880 4.9880 5.3130 5.3130 5.5433 5.5433 5.8855 5.8855 6.3478 6.3478 6.4338 6.4338 7.6168 7.6168 7.9536 7.9536 8.4547 8.4547 8.7833 8.7833 8.8996 8.8996 9.6442 9.6442 9.7408 9.7408 11.0203 11.0203 11.6784 11.6784 k = 0.0000 0.1071-0.0000 ( 2991 PWs) bands (ev): -4.4661 -4.4661 -2.8584 -2.8584 2.7245 2.7245 4.9846 4.9846 5.2905 5.2905 5.5411 5.5411 5.8206 5.8206 6.3607 6.3607 6.4173 6.4173 7.6196 7.6196 7.9636 7.9636 8.4021 8.4021 8.7699 8.7699 8.8850 8.8850 9.6464 9.6464 9.7729 9.7729 10.9208 10.9208 11.6620 11.6620 k = 0.0000 0.1190-0.0000 ( 2991 PWs) bands (ev): -4.4460 -4.4460 -2.8535 -2.8535 2.7509 2.7509 4.9784 4.9784 5.2644 5.2644 5.5399 5.5399 5.7508 5.7508 6.3730 6.3730 6.4049 6.4049 7.6228 7.6228 7.9713 7.9713 8.3536 8.3536 8.7550 8.7550 8.8687 8.8687 9.6486 9.6486 9.7988 9.7988 10.8196 10.8196 11.6467 11.6467 k = 0.0000 0.1310-0.0000 ( 2991 PWs) bands (ev): -4.4240 -4.4240 -2.8483 -2.8483 2.7800 2.7800 4.9682 4.9682 5.2348 5.2348 5.5383 5.5383 5.6798 5.6798 6.3772 6.3772 6.4042 6.4042 7.6262 7.6262 7.9757 7.9757 8.3104 8.3104 8.7384 8.7384 8.8509 8.8509 9.6514 9.6514 9.8178 9.8178 10.7183 10.7183 11.6317 11.6317 k = 0.0000 0.1429-0.0000 ( 2997 PWs) bands (ev): -4.4000 -4.4000 -2.8429 -2.8429 2.8116 2.8116 4.9529 4.9529 5.2011 5.2011 5.5308 5.5308 5.6162 5.6162 6.3697 6.3697 6.4181 6.4181 7.6298 7.6298 7.9755 7.9755 8.2736 8.2736 8.7199 8.7199 8.8314 8.8314 9.6551 9.6551 9.8293 9.8293 10.6180 10.6180 11.6165 11.6165 k = 0.0000 0.1548-0.0000 ( 2987 PWs) bands (ev): -4.3740 -4.3740 -2.8375 -2.8375 2.8459 2.8459 4.9314 4.9314 5.1614 5.1614 5.5001 5.5001 5.5815 5.5815 6.3601 6.3601 6.4370 6.4370 7.6337 7.6337 7.9695 7.9695 8.2442 8.2442 8.6999 8.6999 8.8104 8.8104 9.6600 9.6600 9.8332 9.8332 10.5197 10.5197 11.6008 11.6008 k = 0.0000 0.1667-0.0000 ( 2979 PWs) bands (ev): -4.3462 -4.3462 -2.8320 -2.8320 2.8826 2.8826 4.9031 4.9031 5.1131 5.1131 5.4506 5.4506 5.5760 5.5760 6.3504 6.3504 6.4581 6.4581 7.6377 7.6377 7.9573 7.9573 8.2226 8.2226 8.6779 8.6779 8.7878 8.7878 9.6663 9.6663 9.8297 9.8297 10.4241 10.4241 11.5842 11.5842 k = 0.0000 0.1786-0.0000 ( 2981 PWs) bands (ev): -4.3166 -4.3166 -2.8267 -2.8267 2.9218 2.9218 4.8677 4.8677 5.0534 5.0534 5.4062 5.4062 5.5796 5.5796 6.3409 6.3409 6.4809 6.4809 7.6417 7.6417 7.9392 7.9392 8.2081 8.2081 8.6540 8.6540 8.7637 8.7637 9.6739 9.6739 9.8192 9.8192 10.3315 10.3315 11.5665 11.5665 k = 0.0000 0.1905-0.0000 ( 2981 PWs) bands (ev): -4.2852 -4.2852 -2.8216 -2.8216 2.9634 2.9634 4.8259 4.8259 4.9822 4.9822 5.3737 5.3737 5.5864 5.5864 6.3316 6.3316 6.5052 6.5052 7.6458 7.6458 7.9166 7.9166 8.1992 8.1992 8.6282 8.6282 8.7381 8.7381 9.6828 9.6828 9.8023 9.8023 10.2423 10.2423 11.5477 11.5477 k = 0.0000 0.2024-0.0000 ( 2983 PWs) bands (ev): -4.2521 -4.2521 -2.8169 -2.8169 3.0072 3.0072 4.7780 4.7780 4.9019 4.9019 5.3524 5.3524 5.5948 5.5948 6.3223 6.3223 6.5310 6.5310 7.6499 7.6499 7.8911 7.8911 8.1942 8.1942 8.6007 8.6007 8.7109 8.7109 9.6924 9.6924 9.7801 9.7801 10.1566 10.1566 11.5275 11.5275 k = 0.0000 0.2143-0.0000 ( 2989 PWs) bands (ev): -4.2174 -4.2174 -2.8126 -2.8126 3.0533 3.0533 4.7247 4.7247 4.8164 4.8164 5.3395 5.3395 5.6045 5.6045 6.3129 6.3129 6.5583 6.5583 7.6538 7.6538 7.8644 7.8644 8.1913 8.1913 8.5713 8.5713 8.6824 8.6824 9.7000 9.7000 9.7562 9.7562 10.0748 10.0748 11.5060 11.5060 k = 0.0000 0.2262-0.0000 ( 2985 PWs) bands (ev): -4.1811 -4.1811 -2.8089 -2.8089 3.1014 3.1014 4.6652 4.6652 4.7300 4.7300 5.3322 5.3322 5.6152 5.6152 6.3033 6.3033 6.5870 6.5870 7.6575 7.6575 7.8375 7.8375 8.1893 8.1893 8.5403 8.5403 8.6527 8.6527 9.6936 9.6936 9.7438 9.7438 9.9967 9.9967 11.4831 11.4831 k = 0.0000 0.2381-0.0000 ( 2989 PWs) bands (ev): -4.1433 -4.1433 -2.8059 -2.8059 3.1514 3.1514 4.5969 4.5969 4.6484 4.6484 5.3284 5.3284 5.6265 5.6265 6.2934 6.2934 6.6170 6.6170 7.6608 7.6608 7.8114 7.8114 8.1874 8.1874 8.5077 8.5077 8.6218 8.6218 9.6646 9.6646 9.7516 9.7516 9.9227 9.9227 11.4587 11.4587 k = 0.0000 0.2500-0.0000 ( 2985 PWs) bands (ev): -4.1041 -4.1041 -2.8038 -2.8038 3.2031 3.2031 4.5180 4.5180 4.5758 4.5758 5.3265 5.3265 5.6386 5.6386 6.2831 6.2831 6.6484 6.6484 7.6635 7.6635 7.7867 7.7867 8.1849 8.1849 8.4736 8.4736 8.5899 8.5899 9.6266 9.6266 9.7663 9.7663 9.8538 9.8538 11.4328 11.4328 k = 0.0000 0.2619-0.0000 ( 2989 PWs) bands (ev): -4.0635 -4.0635 -2.8027 -2.8027 3.2563 3.2563 4.4335 4.4335 4.5090 4.5090 5.3253 5.3253 5.6512 5.6512 6.2724 6.2724 6.6810 6.6810 7.6649 7.6649 7.7644 7.7644 8.1814 8.1814 8.4379 8.4379 8.5571 8.5571 9.5850 9.5850 9.7664 9.7664 9.8065 9.8065 11.4054 11.4054 k = 0.0000 0.2738-0.0000 ( 2987 PWs) bands (ev): -4.0217 -4.0217 -2.8027 -2.8027 3.3105 3.3105 4.3491 4.3491 4.4443 4.4443 5.3241 5.3241 5.6642 5.6642 6.2613 6.2613 6.7148 6.7148 7.6646 7.6646 7.7453 7.7453 8.1766 8.1766 8.4009 8.4009 8.5235 8.5235 9.5419 9.5419 9.7134 9.7134 9.8186 9.8186 11.3765 11.3765 k = 0.0000 0.2857-0.0000 ( 2991 PWs) bands (ev): -3.9788 -3.9788 -2.8041 -2.8041 3.3653 3.3653 4.2673 4.2673 4.3804 4.3804 5.3221 5.3221 5.6777 5.6777 6.2497 6.2497 6.7497 6.7497 7.6613 7.6613 7.7307 7.7307 8.1704 8.1704 8.3627 8.3627 8.4893 8.4893 9.4984 9.4984 9.6541 9.6541 9.8425 9.8425 11.3460 11.3460 k = 0.0000 0.2976-0.0000 ( 2991 PWs) bands (ev): -3.9349 -3.9349 -2.8069 -2.8069 3.4199 3.4199 4.1899 4.1899 4.3175 4.3175 5.3186 5.3186 5.6916 5.6916 6.2377 6.2377 6.7858 6.7858 7.6545 7.6545 7.7213 7.7213 8.1625 8.1625 8.3233 8.3233 8.4546 8.4546 9.4553 9.4553 9.5972 9.5972 9.8697 9.8697 11.3140 11.3140 k = 0.0000 0.3095-0.0000 ( 2991 PWs) bands (ev): -3.8900 -3.8900 -2.8112 -2.8112 3.4731 3.4731 4.1182 4.1182 4.2562 4.2562 5.3130 5.3130 5.7057 5.7057 6.2251 6.2251 6.8230 6.8230 7.6449 7.6449 7.7167 7.7167 8.1531 8.1531 8.2830 8.2830 8.4195 8.4195 9.4133 9.4133 9.5434 9.5434 9.8992 9.8992 11.2805 11.2805 k = 0.0000 0.3214-0.0000 ( 2991 PWs) bands (ev): -3.8443 -3.8443 -2.8173 -2.8173 3.5229 3.5229 4.0537 4.0537 4.1976 4.1976 5.3050 5.3050 5.7202 5.7202 6.2119 6.2119 6.8612 6.8612 7.6340 7.6340 7.7152 7.7152 8.1419 8.1419 8.2417 8.2417 8.3843 8.3843 9.3730 9.3730 9.4929 9.4929 9.9309 9.9309 11.2454 11.2454 k = 0.0000 0.3333-0.0000 ( 2990 PWs) bands (ev): -3.7979 -3.7979 -2.8252 -2.8252 3.5662 3.5662 3.9983 3.9983 4.1437 4.1437 5.2940 5.2940 5.7350 5.7350 6.1983 6.1983 6.9004 6.9004 7.6236 7.6236 7.7154 7.7154 8.1290 8.1290 8.1999 8.1999 8.3491 8.3491 9.3348 9.3348 9.4458 9.4458 9.9645 9.9645 11.2089 11.2089 k = 0.0000 0.3452-0.0000 ( 2992 PWs) bands (ev): -3.7510 -3.7510 -2.8350 -2.8350 3.5982 3.5982 3.9529 3.9529 4.0988 4.0988 5.2796 5.2796 5.7500 5.7500 6.1842 6.1842 6.9406 6.9406 7.6144 7.6144 7.7163 7.7163 8.1140 8.1140 8.1582 8.1582 8.3140 8.3140 9.2991 9.2991 9.4021 9.4021 10.0000 10.0000 11.1709 11.1709 k = 0.0000 0.3571-0.0000 ( 2994 PWs) bands (ev): -3.7037 -3.7037 -2.8469 -2.8469 3.6138 3.6138 3.9151 3.9151 4.0709 4.0709 5.2614 5.2614 5.7653 5.7653 6.1696 6.1696 6.9816 6.9816 7.6071 7.6071 7.7176 7.7176 8.0942 8.0942 8.1197 8.1197 8.2793 8.2793 9.2663 9.2663 9.3617 9.3617 10.0372 10.0372 11.1314 11.1314 k = 0.0000 0.3690-0.0000 ( 2994 PWs) bands (ev): -3.6562 -3.6562 -2.8609 -2.8609 3.6117 3.6117 3.8775 3.8775 4.0691 4.0691 5.2392 5.2392 5.7808 5.7808 6.1545 6.1545 7.0235 7.0235 7.6019 7.6019 7.7188 7.7188 8.0607 8.0607 8.0935 8.0935 8.2453 8.2453 9.2364 9.2364 9.3247 9.3247 10.0760 10.0760 11.0906 11.0906 k = 0.0000 0.3810-0.0000 ( 2990 PWs) bands (ev): -3.6085 -3.6085 -2.8771 -2.8771 3.5963 3.5963 3.8357 3.8357 4.0938 4.0938 5.2127 5.2127 5.7966 5.7966 6.1391 6.1391 7.0661 7.0661 7.5990 7.5990 7.7197 7.7197 8.0185 8.0185 8.0754 8.0754 8.2122 8.2122 9.2097 9.2097 9.2909 9.2909 10.1164 10.1164 11.0484 11.0484 k = 0.0000 0.3929-0.0000 ( 2992 PWs) bands (ev): -3.5609 -3.5609 -2.8956 -2.8956 3.5742 3.5742 3.7912 3.7912 4.1371 4.1371 5.1819 5.1819 5.8127 5.8127 6.1231 6.1231 7.1094 7.1094 7.5984 7.5984 7.7202 7.7202 7.9745 7.9745 8.0589 8.0589 8.1800 8.1800 9.1862 9.1862 9.2602 9.2602 10.1582 10.1582 11.0051 11.0051 k = 0.0000 0.4048-0.0000 ( 2984 PWs) bands (ev): -3.5135 -3.5135 -2.9163 -2.9163 3.5506 3.5506 3.7464 3.7464 4.1916 4.1916 5.1466 5.1466 5.8292 5.8292 6.1069 6.1069 7.1534 7.1534 7.5999 7.5999 7.7199 7.7199 7.9301 7.9301 8.0434 8.0434 8.1491 8.1491 9.1660 9.1660 9.2326 9.2326 10.2014 10.2014 10.9606 10.9606 k = 0.0000 0.4167-0.0000 ( 2994 PWs) bands (ev): -3.4665 -3.4665 -2.9394 -2.9394 3.5285 3.5285 3.7031 3.7031 4.2526 4.2526 5.1068 5.1068 5.8458 5.8458 6.0902 6.0902 7.1978 7.1978 7.6032 7.6032 7.7184 7.7184 7.8860 7.8860 8.0288 8.0288 8.1197 8.1197 9.1488 9.1488 9.2079 9.2079 10.2457 10.2457 10.9151 10.9151 k = 0.0000 0.4286-0.0000 ( 2990 PWs) bands (ev): -3.4200 -3.4200 -2.9648 -2.9648 3.5098 3.5098 3.6622 3.6622 4.3176 4.3176 5.0627 5.0627 5.8628 5.8628 6.0733 6.0733 7.2429 7.2429 7.6080 7.6080 7.7152 7.7152 7.8432 7.8432 8.0158 8.0158 8.0925 8.0925 9.1349 9.1349 9.1861 9.1861 10.2912 10.2912 10.8687 10.8687 k = 0.0000 0.4405-0.0000 ( 2990 PWs) bands (ev): -3.3743 -3.3743 -2.9924 -2.9924 3.4953 3.4953 3.6246 3.6246 4.3847 4.3847 5.0146 5.0146 5.8799 5.8799 6.0561 6.0561 7.2882 7.2882 7.6129 7.6129 7.7096 7.7096 7.8032 7.8032 8.0046 8.0046 8.0675 8.0675 9.1240 9.1240 9.1670 9.1670 10.3375 10.3375 10.8215 10.8215 k = 0.0000 0.4524-0.0000 ( 2992 PWs) bands (ev): -3.3294 -3.3294 -3.0223 -3.0223 3.4855 3.4855 3.5906 3.5906 4.4529 4.4529 4.9625 4.9625 5.8972 5.8972 6.0387 6.0387 7.3337 7.3337 7.6154 7.6154 7.7007 7.7007 7.7690 7.7690 7.9956 7.9956 8.0454 8.0454 9.1160 9.1160 9.1507 9.1507 10.3847 10.3847 10.7736 10.7736 k = 0.0000 0.4643-0.0000 ( 2992 PWs) bands (ev): -3.2857 -3.2857 -3.0543 -3.0543 3.4809 3.4809 3.5607 3.5607 4.5215 4.5215 4.9069 4.9069 5.9147 5.9147 6.0212 6.0212 7.3794 7.3794 7.6094 7.6094 7.6910 7.6910 7.7436 7.7436 7.9894 7.9894 8.0264 8.0264 9.1109 9.1109 9.1371 9.1371 10.4325 10.4325 10.7253 10.7253 k = 0.0000 0.4762-0.0000 ( 2992 PWs) bands (ev): -3.2431 -3.2431 -3.0884 -3.0884 3.4815 3.4815 3.5351 3.5351 4.5896 4.5896 4.8482 4.8482 5.9324 5.9324 6.0035 6.0035 7.4248 7.4248 7.5881 7.5881 7.6880 7.6880 7.7264 7.7264 7.9864 7.9864 8.0108 8.0108 9.1086 9.1086 9.1261 9.1261 10.4809 10.4809 10.6765 10.6765 k = 0.0000 0.4881-0.0000 ( 3000 PWs) bands (ev): -3.2020 -3.2020 -3.1245 -3.1245 3.4873 3.4873 3.5142 3.5142 4.6569 4.6569 4.7866 4.7866 5.9501 5.9501 5.9857 5.9857 7.4696 7.4696 7.5539 7.5539 7.6929 7.6929 7.7132 7.7132 7.9868 7.9868 7.9989 7.9989 9.1089 9.1089 9.1178 9.1178 10.5296 10.5296 10.6276 10.6276 k = 0.0000 0.5000-0.0000 ( 3000 PWs) bands (ev): -3.1624 -3.1624 -3.1624 -3.1624 3.4982 3.4982 3.4982 3.4982 4.7227 4.7227 4.7227 4.7227 5.9679 5.9679 5.9679 5.9679 7.5132 7.5132 7.5132 7.5132 7.7020 7.7020 7.7020 7.7020 7.9909 7.9909 7.9909 7.9909 9.1121 9.1121 9.1121 9.1121 10.5785 10.5785 10.5785 10.5785 k = 0.0000 0.5000-0.0000 ( 3000 PWs) bands (ev): -3.1624 -3.1624 -3.1624 -3.1624 3.4982 3.4982 3.4982 3.4982 4.7227 4.7227 4.7227 4.7227 5.9679 5.9679 5.9679 5.9679 7.5132 7.5132 7.5132 7.5132 7.7020 7.7020 7.7020 7.7020 7.9909 7.9909 7.9909 7.9909 9.1121 9.1121 9.1121 9.1121 10.5785 10.5785 10.5785 10.5785 k = 0.0119 0.5000-0.0000 ( 3000 PWs) bands (ev): -3.1617 -3.1617 -3.1615 -3.1615 3.4973 3.4973 3.4991 3.4991 4.7237 4.7237 4.7238 4.7238 5.9665 5.9665 5.9674 5.9674 7.5045 7.5045 7.5162 7.5162 7.6939 7.6939 7.7116 7.7116 7.9907 7.9907 7.9931 7.9931 9.1114 9.1114 9.1119 9.1119 10.5711 10.5711 10.5740 10.5740 k = 0.0238 0.5000-0.0000 ( 3000 PWs) bands (ev): -3.1594 -3.1594 -3.1591 -3.1591 3.4963 3.4963 3.4999 3.4999 4.7269 4.7269 4.7269 4.7269 5.9631 5.9631 5.9650 5.9650 7.4911 7.4911 7.5127 7.5127 7.6880 7.6880 7.7213 7.7213 7.9928 7.9928 7.9972 7.9972 9.1101 9.1101 9.1109 9.1109 10.5521 10.5521 10.5577 10.5577 k = 0.0357 0.5000-0.0000 ( 3000 PWs) bands (ev): -3.1555 -3.1555 -3.1551 -3.1551 3.4952 3.4952 3.5007 3.5007 4.7321 4.7321 4.7321 4.7321 5.9579 5.9579 5.9606 5.9606 7.4741 7.4741 7.5031 7.5031 7.6839 7.6839 7.7298 7.7298 7.9973 7.9973 8.0034 8.0034 9.1079 9.1079 9.1092 9.1092 10.5223 10.5223 10.5304 10.5304 k = 0.0476 0.5000-0.0000 ( 2996 PWs) bands (ev): -3.1501 -3.1501 -3.1496 -3.1496 3.4940 3.4940 3.5013 3.5013 4.7394 4.7394 4.7394 4.7394 5.9508 5.9508 5.9545 5.9545 7.4545 7.4545 7.4883 7.4883 7.6806 7.6806 7.7357 7.7357 8.0046 8.0046 8.0115 8.0115 9.1049 9.1049 9.1066 9.1066 10.4831 10.4831 10.4933 10.4933 k = 0.0595 0.5000-0.0000 ( 2988 PWs) bands (ev): -3.1432 -3.1432 -3.1425 -3.1425 3.4926 3.4926 3.5018 3.5018 4.7486 4.7486 4.7488 4.7488 5.9420 5.9420 5.9465 5.9465 7.4331 7.4331 7.4698 7.4698 7.6769 7.6769 7.7384 7.7384 8.0146 8.0146 8.0216 8.0216 9.1011 9.1011 9.1032 9.1032 10.4360 10.4360 10.4481 10.4481 k = 0.0714 0.5000-0.0000 ( 2988 PWs) bands (ev): -3.1347 -3.1347 -3.1339 -3.1339 3.4910 3.4910 3.5020 3.5020 4.7598 4.7598 4.7602 4.7602 5.9314 5.9314 5.9368 5.9368 7.4104 7.4104 7.4487 7.4487 7.6715 7.6715 7.7370 7.7370 8.0273 8.0273 8.0334 8.0334 9.0964 9.0964 9.0989 9.0989 10.3827 10.3827 10.3963 10.3963 k = 0.0833 0.5000-0.0000 ( 2992 PWs) bands (ev): -3.1248 -3.1248 -3.1239 -3.1239 3.4891 3.4891 3.5019 3.5019 4.7729 4.7729 4.7736 4.7736 5.9193 5.9193 5.9254 5.9254 7.3868 7.3868 7.4258 7.4258 7.6637 7.6637 7.7315 7.7315 8.0425 8.0425 8.0470 8.0470 9.0907 9.0907 9.0936 9.0936 10.3250 10.3250 10.3399 10.3399 k = 0.0952 0.5000-0.0000 ( 2986 PWs) bands (ev): -3.1134 -3.1134 -3.1123 -3.1123 3.4867 3.4867 3.5014 3.5014 4.7878 4.7878 4.7890 4.7890 5.9057 5.9057 5.9126 5.9126 7.3628 7.3628 7.4019 7.4019 7.6531 7.6531 7.7218 7.7218 8.0596 8.0596 8.0620 8.0620 9.0841 9.0841 9.0874 9.0874 10.2646 10.2646 10.2804 10.2804 k = 0.1071 0.5000-0.0000 ( 2986 PWs) bands (ev): -3.1006 -3.1006 -3.0994 -3.0994 3.4839 3.4839 3.5004 3.5004 4.8045 4.8045 4.8063 4.8063 5.8907 5.8907 5.8985 5.8985 7.3386 7.3386 7.3775 7.3775 7.6394 7.6394 7.7082 7.7082 8.0782 8.0782 8.0782 8.0782 9.0765 9.0765 9.0802 9.0802 10.2030 10.2030 10.2195 10.2195 k = 0.1190 0.5000-0.0000 ( 2986 PWs) bands (ev): -3.0864 -3.0864 -3.0851 -3.0851 3.4804 3.4804 3.4987 3.4987 4.8228 4.8228 4.8254 4.8254 5.8746 5.8746 5.8833 5.8833 7.3143 7.3143 7.3528 7.3528 7.6226 7.6226 7.6909 7.6909 8.0952 8.0952 8.0978 8.0978 9.0678 9.0678 9.0718 9.0718 10.1416 10.1416 10.1586 10.1586 k = 0.1310 0.5000-0.0000 ( 2986 PWs) bands (ev): -3.0709 -3.0709 -3.0695 -3.0695 3.4761 3.4761 3.4962 3.4962 4.8427 4.8427 4.8464 4.8464 5.8576 5.8576 5.8671 5.8671 7.2902 7.2902 7.3282 7.3282 7.6028 7.6028 7.6702 7.6702 8.1128 8.1128 8.1181 8.1181 9.0580 9.0580 9.0623 9.0623 10.0815 10.0815 10.0989 10.0989 k = 0.1429 0.5000-0.0000 ( 2986 PWs) bands (ev): -3.0542 -3.0542 -3.0526 -3.0526 3.4709 3.4709 3.4928 3.4928 4.8641 4.8641 4.8690 4.8690 5.8397 5.8397 5.8502 5.8502 7.2665 7.2665 7.3038 7.3038 7.5801 7.5801 7.6462 7.6462 8.1306 8.1306 8.1385 8.1385 9.0471 9.0471 9.0517 9.0517 10.0237 10.0237 10.0414 10.0414 k = 0.1548 0.5000-0.0000 ( 2986 PWs) bands (ev): -3.0362 -3.0362 -3.0346 -3.0346 3.4647 3.4647 3.4884 3.4884 4.8868 4.8868 4.8933 4.8933 5.8214 5.8214 5.8330 5.8330 7.2433 7.2433 7.2800 7.2800 7.5548 7.5548 7.6193 7.6193 8.1484 8.1484 8.1590 8.1590 9.0350 9.0350 9.0398 9.0398 9.9689 9.9689 9.9869 9.9869 k = 0.1667 0.5000-0.0000 ( 2982 PWs) bands (ev): -3.0171 -3.0171 -3.0154 -3.0154 3.4574 3.4574 3.4827 3.4827 4.9106 4.9106 4.9191 4.9191 5.8027 5.8027 5.8158 5.8158 7.2207 7.2207 7.2568 7.2568 7.5270 7.5270 7.5897 7.5897 8.1660 8.1660 8.1791 8.1791 9.0218 9.0218 9.0268 9.0268 9.9177 9.9177 9.9359 9.9359 k = 0.1786 0.5000-0.0000 ( 2992 PWs) bands (ev): -2.9969 -2.9969 -2.9951 -2.9951 3.4487 3.4487 3.4756 3.4756 4.9355 4.9355 4.9462 4.9462 5.7841 5.7841 5.7987 5.7987 7.1989 7.1989 7.2343 7.2343 7.4969 7.4969 7.5577 7.5577 8.1830 8.1830 8.1986 8.1986 9.0075 9.0075 9.0125 9.0125 9.8704 9.8704 9.8887 9.8887 k = 0.1905 0.5000-0.0000 ( 2980 PWs) bands (ev): -2.9758 -2.9758 -2.9739 -2.9739 3.4386 3.4386 3.4670 3.4670 4.9612 4.9612 4.9746 4.9746 5.7657 5.7657 5.7824 5.7824 7.1781 7.1781 7.2127 7.2127 7.4650 7.4650 7.5236 7.5236 8.1995 8.1995 8.2176 8.2176 8.9921 8.9921 8.9972 8.9972 9.8273 9.8273 9.8458 9.8458 k = 0.2024 0.5000-0.0000 ( 2980 PWs) bands (ev): -2.9538 -2.9538 -2.9518 -2.9518 3.4270 3.4270 3.4567 3.4567 4.9874 4.9874 5.0041 5.0041 5.7479 5.7479 5.7671 5.7671 7.1582 7.1582 7.1922 7.1922 7.4315 7.4315 7.4878 7.4878 8.2152 8.2152 8.2357 8.2357 8.9756 8.9756 8.9806 8.9806 9.7882 9.7882 9.8070 9.8070 k = 0.2143 0.5000-0.0000 ( 2976 PWs) bands (ev): -2.9309 -2.9309 -2.9289 -2.9289 3.4138 3.4138 3.4447 3.4447 5.0141 5.0141 5.0345 5.0345 5.7310 5.7310 5.7531 5.7531 7.1394 7.1394 7.1727 7.1727 7.3967 7.3967 7.4506 7.4506 8.2300 8.2300 8.2529 8.2529 8.9581 8.9581 8.9630 8.9630 9.7533 9.7533 9.7724 9.7724 k = 0.2262 0.5000-0.0000 ( 2974 PWs) bands (ev): -2.9074 -2.9074 -2.9053 -2.9053 3.3989 3.3989 3.4308 3.4308 5.0409 5.0409 5.0656 5.0656 5.7153 5.7153 5.7410 5.7410 7.1216 7.1216 7.1543 7.1543 7.3609 7.3609 7.4123 7.4123 8.2438 8.2438 8.2690 8.2690 8.9396 8.9396 8.9443 8.9443 9.7224 9.7224 9.7417 9.7417 k = 0.2381 0.5000-0.0000 ( 2970 PWs) bands (ev): -2.8832 -2.8832 -2.8811 -2.8811 3.3822 3.3822 3.4149 3.4149 5.0677 5.0677 5.0972 5.0972 5.7012 5.7012 5.7311 5.7311 7.1051 7.1051 7.1372 7.1372 7.3245 7.3245 7.3734 7.3734 8.2566 8.2566 8.2841 8.2841 8.9203 8.9203 8.9246 8.9246 9.6951 9.6951 9.7146 9.7146 k = 0.2500 0.5000-0.0000 ( 2970 PWs) bands (ev): -2.8586 -2.8586 -2.8564 -2.8564 3.3639 3.3639 3.3971 3.3971 5.0940 5.0940 5.1289 5.1289 5.6888 5.6888 5.7236 5.7236 7.0898 7.0898 7.1213 7.1213 7.2879 7.2879 7.3342 7.3342 8.2683 8.2683 8.2981 8.2981 8.9000 8.9000 8.9039 8.9039 9.6713 9.6713 9.6910 9.6910 k = 0.2619 0.5000-0.0000 ( 2972 PWs) bands (ev): -2.8337 -2.8337 -2.8314 -2.8314 3.3438 3.3438 3.3774 3.3774 5.1198 5.1198 5.1607 5.1607 5.6786 5.6786 5.7188 5.7188 7.0757 7.0757 7.1067 7.1067 7.2515 7.2515 7.2951 7.2951 8.2786 8.2786 8.3108 8.3108 8.8789 8.8789 8.8822 8.8822 9.6507 9.6507 9.6705 9.6705 k = 0.2738 0.5000-0.0000 ( 2976 PWs) bands (ev): -2.8085 -2.8085 -2.8063 -2.8063 3.3222 3.3222 3.3558 3.3558 5.1448 5.1448 5.1920 5.1920 5.6707 5.6707 5.7170 5.7170 7.0627 7.0627 7.0931 7.0931 7.2157 7.2157 7.2568 7.2568 8.2878 8.2878 8.3222 8.3222 8.8570 8.8570 8.8595 8.8595 9.6330 9.6330 9.6528 9.6528 k = 0.2857 0.5000-0.0000 ( 2976 PWs) bands (ev): -2.7833 -2.7833 -2.7810 -2.7810 3.2991 3.2991 3.3326 3.3326 5.1689 5.1689 5.2227 5.2227 5.6654 5.6654 5.7182 5.7182 7.0506 7.0506 7.0802 7.0802 7.1814 7.1814 7.2196 7.2196 8.2957 8.2957 8.3325 8.3325 8.8343 8.8343 8.8359 8.8359 9.6179 9.6179 9.6377 9.6377 k = 0.2976 0.5000-0.0000 ( 2980 PWs) bands (ev): -2.7581 -2.7581 -2.7558 -2.7558 3.2747 3.2747 3.3078 3.3078 5.1919 5.1919 5.2522 5.2522 5.6629 5.6629 5.7223 5.7223 7.0390 7.0390 7.0669 7.0669 7.1499 7.1499 7.1845 7.1845 8.3023 8.3023 8.3415 8.3415 8.8109 8.8109 8.8113 8.8113 9.6052 9.6052 9.6248 9.6248 k = 0.3095 0.5000-0.0000 ( 2980 PWs) bands (ev): -2.7331 -2.7331 -2.7308 -2.7308 3.2493 3.2493 3.2817 3.2817 5.2138 5.2138 5.2803 5.2803 5.6634 5.6634 5.7291 5.7291 7.0270 7.0270 7.0514 7.0514 7.1234 7.1234 7.1526 7.1526 8.3076 8.3076 8.3492 8.3492 8.7859 8.7859 8.7870 8.7870 9.5946 9.5946 9.6139 9.6139 k = 0.3214 0.5000-0.0000 ( 2972 PWs) bands (ev): -2.7085 -2.7085 -2.7063 -2.7063 3.2232 3.2232 3.2545 3.2545 5.2347 5.2347 5.3066 5.3066 5.6668 5.6668 5.7384 5.7384 7.0132 7.0132 7.0311 7.0311 7.1046 7.1046 7.1256 7.1256 8.3115 8.3115 8.3555 8.3555 8.7599 8.7599 8.7625 8.7625 9.5859 9.5859 9.6049 9.6049 k = 0.3333 0.5000-0.0000 ( 2980 PWs) bands (ev): -2.6844 -2.6844 -2.6822 -2.6822 3.1965 3.1965 3.2267 3.2267 5.2545 5.2545 5.3309 5.3309 5.6733 5.6733 5.7497 5.7497 6.9961 6.9961 7.0059 7.0059 7.0938 7.0938 7.1051 7.1051 8.3139 8.3139 8.3604 8.3604 8.7332 8.7332 8.7378 8.7378 9.5788 9.5788 9.5972 9.5972 k = 0.3452 0.5000-0.0000 ( 2978 PWs) bands (ev): -2.6610 -2.6610 -2.6589 -2.6589 3.1696 3.1696 3.1984 3.1984 5.2734 5.2734 5.3528 5.3528 5.6825 5.6825 5.7625 5.7625 6.9750 6.9750 6.9782 6.9782 7.0891 7.0891 7.0921 7.0921 8.3150 8.3150 8.3637 8.3637 8.7063 8.7063 8.7130 8.7130 9.5731 9.5731 9.5909 9.5909 k = 0.3571 0.5000-0.0000 ( 2972 PWs) bands (ev): -2.6384 -2.6384 -2.6364 -2.6364 3.1430 3.1430 3.1702 3.1702 5.2915 5.2915 5.3724 5.3724 5.6942 5.6942 5.7763 5.7763 6.9498 6.9498 6.9508 6.9508 7.0859 7.0859 7.0884 7.0884 8.3145 8.3145 8.3654 8.3654 8.6794 8.6794 8.6885 8.6885 9.5688 9.5688 9.5858 9.5858 k = 0.3690 0.5000-0.0000 ( 2978 PWs) bands (ev): -2.6169 -2.6169 -2.6149 -2.6149 3.1168 3.1168 3.1423 3.1423 5.3089 5.3089 5.3896 5.3896 5.7080 5.7080 5.7905 5.7905 6.9218 6.9218 6.9252 6.9252 7.0848 7.0848 7.0908 7.0908 8.3124 8.3124 8.3653 8.3653 8.6530 8.6530 8.6646 8.6646 9.5655 9.5655 9.5815 9.5815 k = 0.3810 0.5000-0.0000 ( 2978 PWs) bands (ev): -2.5965 -2.5965 -2.5947 -2.5947 3.0916 3.0916 3.1151 3.1151 5.3255 5.3255 5.4045 5.4045 5.7234 5.7234 5.8046 5.8046 6.8950 6.8950 6.8995 6.8995 7.0874 7.0874 7.0956 7.0956 8.3089 8.3089 8.3631 8.3631 8.6277 8.6277 8.6418 8.6418 9.5631 9.5631 9.5781 9.5781 k = 0.3929 0.5000-0.0000 ( 2982 PWs) bands (ev): -2.5775 -2.5775 -2.5758 -2.5758 3.0676 3.0676 3.0891 3.0891 5.3415 5.3415 5.4172 5.4172 5.7397 5.7397 5.8180 5.8180 6.8697 6.8697 6.8746 6.8746 7.0928 7.0928 7.1022 7.1022 8.3039 8.3039 8.3586 8.3586 8.6042 8.6042 8.6203 8.6203 9.5615 9.5615 9.5754 9.5754 k = 0.4048 0.5000-0.0000 ( 2982 PWs) bands (ev): -2.5600 -2.5600 -2.5584 -2.5584 3.0452 3.0452 3.0646 3.0646 5.3569 5.3569 5.4278 5.4278 5.7565 5.7565 5.8304 5.8304 6.8464 6.8464 6.8513 6.8513 7.1003 7.1003 7.1103 7.1103 8.2977 8.2977 8.3517 8.3517 8.5832 8.5832 8.6007 8.6007 9.5606 9.5606 9.5731 9.5731 k = 0.4167 0.5000-0.0000 ( 2986 PWs) bands (ev): -2.5441 -2.5441 -2.5427 -2.5427 3.0247 3.0247 3.0418 3.0418 5.3715 5.3715 5.4364 5.4364 5.7733 5.7733 5.8413 5.8413 6.8252 6.8252 6.8298 6.8298 7.1091 7.1091 7.1192 7.1192 8.2904 8.2904 8.3423 8.3423 8.5651 8.5651 8.5831 8.5831 9.5601 9.5601 9.5713 9.5713 k = 0.4286 0.5000-0.0000 ( 2986 PWs) bands (ev): -2.5300 -2.5300 -2.5288 -2.5288 3.0065 3.0065 3.0213 3.0213 5.3853 5.3853 5.4431 5.4431 5.7895 5.7895 5.8504 5.8504 6.8064 6.8064 6.8106 6.8106 7.1188 7.1188 7.1285 7.1285 8.2827 8.2827 8.3308 8.3308 8.5503 8.5503 8.5678 8.5678 9.5601 9.5601 9.5699 9.5699 k = 0.4405 0.5000-0.0000 ( 2994 PWs) bands (ev): -2.5179 -2.5179 -2.5168 -2.5168 2.9907 2.9907 3.0031 3.0031 5.3981 5.3981 5.4478 5.4478 5.8049 5.8049 5.8575 5.8575 6.7901 6.7901 6.7938 6.7938 7.1286 7.1286 7.1376 7.1376 8.2751 8.2751 8.3178 8.3178 8.5389 8.5389 8.5549 8.5549 9.5604 9.5604 9.5686 9.5686 k = 0.4524 0.5000-0.0000 ( 2998 PWs) bands (ev): -2.5077 -2.5077 -2.5069 -2.5069 2.9777 2.9777 2.9877 2.9877 5.4099 5.4099 5.4507 5.4507 5.8190 5.8190 5.8623 5.8623 6.7766 6.7766 6.7797 6.7797 7.1381 7.1381 7.1458 7.1458 8.2683 8.2683 8.3041 8.3041 8.5307 8.5307 8.5442 8.5442 9.5609 9.5609 9.5676 9.5676 k = 0.4643 0.5000-0.0000 ( 3002 PWs) bands (ev): -2.4997 -2.4997 -2.4991 -2.4991 2.9677 2.9677 2.9752 2.9752 5.4205 5.4205 5.4517 5.4517 5.8316 5.8316 5.8648 5.8648 6.7661 6.7661 6.7685 6.7685 7.1465 7.1465 7.1527 7.1527 8.2632 8.2632 8.2910 8.2910 8.5252 8.5252 8.5357 8.5357 9.5615 9.5615 9.5666 9.5666 k = 0.4762 0.5000-0.0000 ( 3008 PWs) bands (ev): -2.4939 -2.4939 -2.4935 -2.4935 2.9608 2.9608 2.9658 2.9658 5.4298 5.4298 5.4509 5.4509 5.8424 5.8424 5.8650 5.8650 6.7586 6.7586 6.7602 6.7602 7.1533 7.1533 7.1577 7.1577 8.2603 8.2603 8.2793 8.2793 8.5220 8.5220 8.5292 8.5292 9.5622 9.5622 9.5656 9.5656 k = 0.4881 0.5000-0.0000 ( 3000 PWs) bands (ev): -2.4904 -2.4904 -2.4901 -2.4901 2.9571 2.9571 2.9596 2.9596 5.4376 5.4376 5.4482 5.4482 5.8514 5.8514 5.8627 5.8627 6.7543 6.7543 6.7551 6.7551 7.1581 7.1581 7.1604 7.1604 8.2604 8.2604 8.2700 8.2700 8.5211 8.5211 8.5247 8.5247 9.5630 9.5630 9.5647 9.5647 k = 0.5000 0.5000-0.0000 ( 3004 PWs) bands (ev): -2.4891 -2.4891 -2.4891 -2.4891 2.9567 2.9567 2.9567 2.9567 5.4437 5.4437 5.4437 5.4437 5.8582 5.8582 5.8582 5.8582 6.7531 6.7531 6.7531 6.7531 7.1605 7.1605 7.1605 7.1605 8.2636 8.2636 8.2636 8.2636 8.5221 8.5221 8.5221 8.5221 9.5638 9.5638 9.5638 9.5638 k = 0.5000 0.5000-0.0000 ( 3004 PWs) bands (ev): -2.4891 -2.4891 -2.4891 -2.4891 2.9567 2.9567 2.9567 2.9567 5.4437 5.4437 5.4437 5.4437 5.8582 5.8582 5.8582 5.8582 6.7531 6.7531 6.7531 6.7531 7.1605 7.1605 7.1605 7.1605 8.2636 8.2636 8.2636 8.2636 8.5221 8.5221 8.5221 8.5221 9.5638 9.5638 9.5638 9.5638 k = 0.4917 0.4917-0.0000 ( 3004 PWs) bands (ev): -2.4911 -2.4911 -2.4893 -2.4893 2.9570 2.9570 2.9596 2.9596 5.4375 5.4375 5.4482 5.4482 5.8512 5.8512 5.8629 5.8629 6.7541 6.7541 6.7552 6.7552 7.1578 7.1578 7.1608 7.1608 8.2599 8.2599 8.2704 8.2704 8.5208 8.5208 8.5249 8.5249 9.5630 9.5630 9.5647 9.5647 k = 0.4833 0.4833-0.0000 ( 3004 PWs) bands (ev): -2.4973 -2.4973 -2.4900 -2.4900 2.9606 2.9606 2.9658 2.9658 5.4292 5.4292 5.4515 5.4515 5.8408 5.8408 5.8668 5.8668 6.7577 6.7577 6.7609 6.7609 7.1510 7.1510 7.1601 7.1601 8.2570 8.2570 8.2827 8.2827 8.5200 8.5200 8.5310 8.5310 9.5622 9.5622 9.5657 9.5657 k = 0.4750 0.4750-0.0000 ( 2998 PWs) bands (ev): -2.5074 -2.5074 -2.4910 -2.4910 2.9672 2.9672 2.9754 2.9754 5.4183 5.4183 5.4540 5.4540 5.8265 5.8265 5.8706 5.8706 6.7636 6.7636 6.7704 6.7704 7.1403 7.1403 7.1589 7.1589 8.2539 8.2539 8.3013 8.3013 8.5192 8.5192 8.5403 8.5403 9.5613 9.5613 9.5668 9.5668 k = 0.4667 0.4667-0.0000 ( 2998 PWs) bands (ev): -2.5215 -2.5215 -2.4925 -2.4925 2.9768 2.9768 2.9883 2.9883 5.4043 5.4043 5.4558 5.4558 5.8081 5.8081 5.8747 5.8747 6.7720 6.7720 6.7835 6.7835 7.1263 7.1263 7.1571 7.1571 8.2503 8.2503 8.3261 8.3261 8.5181 8.5181 8.5529 8.5529 9.5602 9.5602 9.5680 9.5680 k = 0.4583 0.4583-0.0000 ( 2992 PWs) bands (ev): -2.5395 -2.5395 -2.4945 -2.4945 2.9894 2.9894 3.0046 3.0046 5.3869 5.3869 5.4574 5.4574 5.7863 5.7863 5.8792 5.8792 6.7828 6.7828 6.8001 6.8001 7.1098 7.1098 7.1546 7.1546 8.2464 8.2464 8.3566 8.3566 8.5168 8.5168 8.5685 8.5685 9.5591 9.5591 9.5694 9.5694 k = 0.4500 0.4500-0.0000 ( 2984 PWs) bands (ev): -2.5611 -2.5611 -2.4968 -2.4968 3.0049 3.0049 3.0242 3.0242 5.3656 5.3656 5.4587 5.4587 5.7616 5.7616 5.8841 5.8841 6.7958 6.7958 6.8198 6.8198 7.0915 7.0915 7.1514 7.1514 8.2424 8.2424 8.3920 8.3920 8.5154 8.5154 8.5869 8.5869 9.5580 9.5580 9.5710 9.5710 k = 0.4417 0.4417-0.0000 ( 2976 PWs) bands (ev): -2.5863 -2.5863 -2.4996 -2.4996 3.0233 3.0233 3.0469 3.0469 5.3399 5.3399 5.4599 5.4599 5.7352 5.7352 5.8890 5.8890 6.8111 6.8111 6.8424 6.8424 7.0724 7.0724 7.1474 7.1474 8.2387 8.2387 8.4317 8.4317 8.5137 8.5137 8.6078 8.6078 9.5568 9.5568 9.5729 9.5729 k = 0.4333 0.4333-0.0000 ( 2980 PWs) bands (ev): -2.6150 -2.6150 -2.5028 -2.5028 3.0445 3.0445 3.0728 3.0728 5.3094 5.3094 5.4610 5.4610 5.7079 5.7079 5.8938 5.8938 6.8285 6.8285 6.8675 6.8675 7.0534 7.0534 7.1425 7.1425 8.2351 8.2351 8.4742 8.4742 8.5125 8.5125 8.6310 8.6310 9.5557 9.5557 9.5749 9.5749 k = 0.4250 0.4250-0.0000 ( 2983 PWs) bands (ev): -2.6468 -2.6468 -2.5065 -2.5065 3.0684 3.0684 3.1016 3.1016 5.2738 5.2738 5.4621 5.4621 5.6807 5.6807 5.8983 5.8983 6.8480 6.8480 6.8944 6.8944 7.0357 7.0357 7.1367 7.1367 8.2323 8.2323 8.5046 8.5046 8.5261 8.5261 8.6564 8.6564 9.5548 9.5548 9.5772 9.5772 k = 0.4167 0.4167-0.0000 ( 2987 PWs) bands (ev): -2.6816 -2.6816 -2.5105 -2.5105 3.0951 3.0951 3.1332 3.1332 5.2328 5.2328 5.4631 5.4631 5.6546 5.6546 5.9022 5.9022 6.8693 6.8693 6.9218 6.9218 7.0212 7.0212 7.1300 7.1300 8.2301 8.2301 8.5046 8.5046 8.5723 8.5723 8.6840 8.6840 9.5542 9.5542 9.5798 9.5798 k = 0.4083 0.4083-0.0000 ( 2989 PWs) bands (ev): -2.7193 -2.7193 -2.5150 -2.5150 3.1245 3.1245 3.1675 3.1675 5.1864 5.1864 5.4641 5.4641 5.6300 5.6300 5.9054 5.9054 6.8919 6.8919 6.9459 6.9459 7.0145 7.0145 7.1222 7.1222 8.2287 8.2287 8.5022 8.5022 8.6227 8.6227 8.7137 8.7137 9.5540 9.5540 9.5826 9.5826 k = 0.4000 0.4000-0.0000 ( 2989 PWs) bands (ev): -2.7595 -2.7595 -2.5199 -2.5199 3.1565 3.1565 3.2043 3.2043 5.1349 5.1349 5.4652 5.4652 5.6073 5.6073 5.9077 5.9077 6.9142 6.9142 6.9599 6.9599 7.0242 7.0242 7.1135 7.1135 8.2284 8.2284 8.4993 8.4993 8.6745 8.6745 8.7459 8.7459 9.5543 9.5543 9.5857 9.5857 k = 0.3917 0.3917-0.0000 ( 2989 PWs) bands (ev): -2.8020 -2.8020 -2.5252 -2.5252 3.1910 3.1910 3.2435 3.2435 5.0786 5.0786 5.4662 5.4662 5.5866 5.5866 5.9090 5.9090 6.9294 6.9294 6.9701 6.9701 7.0501 7.0501 7.1043 7.1043 8.2291 8.2291 8.4960 8.4960 8.7269 8.7269 8.7810 8.7810 9.5554 9.5554 9.5891 9.5891 k = 0.3833 0.3833-0.0000 ( 2989 PWs) bands (ev): -2.8467 -2.8467 -2.5310 -2.5310 3.2281 3.2281 3.2850 3.2850 5.0183 5.0183 5.4673 5.4673 5.5680 5.5680 5.9091 5.9091 6.9322 6.9322 6.9911 6.9911 7.0798 7.0798 7.0978 7.0978 8.2309 8.2309 8.4925 8.4925 8.7780 8.7780 8.8201 8.8201 9.5572 9.5572 9.5929 9.5929 k = 0.3750 0.3750-0.0000 ( 2985 PWs) bands (ev): -2.8933 -2.8933 -2.5371 -2.5371 3.2676 3.2676 3.3286 3.3286 4.9544 4.9544 5.4684 5.4684 5.5512 5.5512 5.9079 5.9079 6.9301 6.9301 7.0188 7.0188 7.0804 7.0804 7.1235 7.1235 8.2339 8.2339 8.4889 8.4889 8.8258 8.8258 8.8654 8.8654 9.5600 9.5600 9.5971 9.5971 k = 0.3667 0.3667-0.0000 ( 2979 PWs) bands (ev): -2.9415 -2.9415 -2.5436 -2.5436 3.3094 3.3094 3.3742 3.3742 4.8877 4.8877 5.4694 5.4694 5.5362 5.5362 5.9055 5.9055 6.9285 6.9285 7.0431 7.0431 7.0768 7.0768 7.1608 7.1608 8.2381 8.2381 8.4852 8.4852 8.8698 8.8698 8.9169 8.9169 9.5638 9.5638 9.6019 9.6019 k = 0.3583 0.3583-0.0000 ( 2971 PWs) bands (ev): -2.9912 -2.9912 -2.5505 -2.5505 3.3533 3.3533 3.4216 3.4216 4.8188 4.8188 5.4702 5.4702 5.5230 5.5230 5.9019 5.9019 6.9291 6.9291 7.0433 7.0433 7.0982 7.0982 7.1992 7.1992 8.2436 8.2436 8.4813 8.4813 8.9122 8.9122 8.9722 8.9722 9.5686 9.5686 9.6075 9.6075 k = 0.3500 0.3500-0.0000 ( 2967 PWs) bands (ev): -3.0422 -3.0422 -2.5577 -2.5577 3.3992 3.3992 3.4708 3.4708 4.7483 4.7483 5.4704 5.4704 5.5118 5.5118 5.8972 5.8972 6.9326 6.9326 7.0306 7.0306 7.1332 7.1332 7.2378 7.2378 8.2503 8.2503 8.4773 8.4773 8.9548 8.9548 9.0294 9.0294 9.5743 9.5743 9.6141 9.6141 k = 0.3417 0.3417-0.0000 ( 2963 PWs) bands (ev): -3.0942 -3.0942 -2.5654 -2.5654 3.4468 3.4468 3.5217 3.5217 4.6768 4.6768 5.4689 5.4689 5.5034 5.5034 5.8915 5.8915 6.9390 6.9390 7.0152 7.0152 7.1717 7.1717 7.2760 7.2760 8.2583 8.2583 8.4734 8.4734 8.9982 8.9982 9.0875 9.0875 9.5806 9.5806 9.6224 9.6224 k = 0.3333 0.3333-0.0000 ( 2961 PWs) bands (ev): -3.1470 -3.1470 -2.5734 -2.5734 3.4957 3.4957 3.5742 3.5742 4.6051 4.6051 5.4645 5.4645 5.4991 5.4991 5.8849 5.8849 6.9485 6.9485 6.9985 6.9985 7.2124 7.2124 7.3134 7.3134 8.2675 8.2675 8.4694 8.4694 9.0429 9.0429 9.1462 9.1462 9.5871 9.5871 9.6328 9.6328 k = 0.3250 0.3250-0.0000 ( 2959 PWs) bands (ev): -3.2005 -3.2005 -2.5817 -2.5817 3.5456 3.5456 3.6282 3.6282 4.5338 4.5338 5.4572 5.4572 5.4987 5.4987 5.8777 5.8777 6.9603 6.9603 6.9815 6.9815 7.2546 7.2546 7.3497 7.3497 8.2779 8.2779 8.4654 8.4654 9.0887 9.0887 9.2050 9.2050 9.5934 9.5934 9.6461 9.6461 k = 0.3167 0.3167-0.0000 ( 2965 PWs) bands (ev): -3.2545 -3.2545 -2.5903 -2.5903 3.5957 3.5957 3.6836 3.6836 4.4638 4.4638 5.4479 5.4479 5.5012 5.5012 5.8701 5.8701 6.9591 6.9591 6.9795 6.9795 7.2981 7.2981 7.3845 7.3845 8.2894 8.2894 8.4616 8.4616 9.1359 9.1359 9.2639 9.2639 9.5993 9.5993 9.6626 9.6626 k = 0.3083 0.3083-0.0000 ( 2977 PWs) bands (ev): -3.3087 -3.3087 -2.5992 -2.5992 3.6450 3.6450 3.7406 3.7406 4.3964 4.3964 5.4375 5.4375 5.5055 5.5055 5.8624 5.8624 6.9404 6.9404 6.9969 6.9969 7.3428 7.3428 7.4175 7.4175 8.3021 8.3021 8.4580 8.4580 9.1843 9.1843 9.3227 9.3227 9.6047 9.6047 9.6825 9.6825 k = 0.3000 0.3000-0.0000 ( 2971 PWs) bands (ev): -3.3631 -3.3631 -2.6085 -2.6085 3.6917 3.6917 3.7989 3.7989 4.3334 4.3334 5.4265 5.4265 5.5111 5.5111 5.8548 5.8548 6.9202 6.9202 7.0182 7.0182 7.3885 7.3885 7.4487 7.4487 8.3159 8.3159 8.4548 8.4548 9.2340 9.2340 9.3813 9.3813 9.6096 9.6096 9.7060 9.7060 k = 0.2917 0.2917-0.0000 ( 2971 PWs) bands (ev): -3.4174 -3.4174 -2.6179 -2.6179 3.7332 3.7332 3.8584 3.8584 4.2778 4.2778 5.4151 5.4151 5.5177 5.5177 5.8475 5.8475 6.8991 6.8991 7.0422 7.0422 7.4347 7.4347 7.4778 7.4778 8.3306 8.3306 8.4520 8.4520 9.2847 9.2847 9.4396 9.4396 9.6144 9.6144 9.7330 9.7330 k = 0.2833 0.2833-0.0000 ( 2965 PWs) bands (ev): -3.4716 -3.4716 -2.6276 -2.6276 3.7648 3.7648 3.9189 3.9189 4.2344 4.2344 5.4032 5.4032 5.5250 5.5250 5.8410 5.8410 6.8776 6.8776 7.0690 7.0690 7.4811 7.4811 7.5049 7.5049 8.3462 8.3462 8.4500 8.4500 9.3364 9.3364 9.4974 9.4974 9.6190 9.6190 9.7635 9.7635 k = 0.2750 0.2750-0.0000 ( 2963 PWs) bands (ev): -3.5255 -3.5255 -2.6375 -2.6375 3.7804 3.7804 3.9797 3.9797 4.2101 4.2101 5.3911 5.3911 5.5329 5.5329 5.8355 5.8355 6.8554 6.8554 7.0981 7.0981 7.5233 7.5233 7.5342 7.5342 8.3620 8.3620 8.4491 8.4491 9.3888 9.3888 9.5541 9.5541 9.6242 9.6242 9.7975 9.7975 k = 0.2667 0.2667-0.0000 ( 2967 PWs) bands (ev): -3.5789 -3.5789 -2.6476 -2.6476 3.7747 3.7747 4.0401 4.0401 4.2109 4.2109 5.3785 5.3785 5.5411 5.5411 5.8315 5.8315 6.8328 6.8328 7.1294 7.1294 7.5485 7.5485 7.5779 7.5779 8.3777 8.3777 8.4498 8.4498 9.4416 9.4416 9.6046 9.6046 9.6353 9.6353 9.8347 9.8347 k = 0.2583 0.2583-0.0000 ( 2975 PWs) bands (ev): -3.6317 -3.6317 -2.6578 -2.6578 3.7479 3.7479 4.0993 4.0993 4.2370 4.2370 5.3658 5.3658 5.5493 5.5493 5.8292 5.8292 6.8098 6.8098 7.1630 7.1630 7.5682 7.5682 7.6244 7.6244 8.3923 8.3923 8.4532 8.4532 9.4945 9.4945 9.6240 9.6240 9.6774 9.6774 9.8752 9.8752 k = 0.2500 0.2500-0.0000 ( 2979 PWs) bands (ev): -3.6838 -3.6838 -2.6682 -2.6682 3.7058 3.7058 4.1573 4.1573 4.2829 4.2829 5.3528 5.3528 5.5570 5.5570 5.8291 5.8291 6.7866 6.7866 7.1986 7.1986 7.5853 7.5853 7.6706 7.6706 8.4045 8.4045 8.4607 8.4607 9.5466 9.5466 9.6302 9.6302 9.7332 9.7332 9.9187 9.9187 k = 0.2417 0.2417-0.0000 ( 2975 PWs) bands (ev): -3.7351 -3.7351 -2.6787 -2.6787 3.6547 3.6547 4.2146 4.2146 4.3417 4.3417 5.3396 5.3396 5.5640 5.5640 5.8316 5.8316 6.7632 6.7632 7.2363 7.2363 7.6000 7.6000 7.7157 7.7157 8.4138 8.4138 8.4732 8.4732 9.5956 9.5956 9.6372 9.6372 9.7910 9.7910 9.9651 9.9651 k = 0.2333 0.2333-0.0000 ( 2975 PWs) bands (ev): -3.7855 -3.7855 -2.6892 -2.6892 3.5986 3.5986 4.2716 4.2716 4.4086 4.4086 5.3265 5.3265 5.5699 5.5699 5.8371 5.8371 6.7397 6.7397 7.2759 7.2759 7.6124 7.6124 7.7594 7.7594 8.4209 8.4209 8.4898 8.4898 9.6253 9.6253 9.6617 9.6617 9.8499 9.8499 10.0142 10.0142 k = 0.2250 0.2250-0.0000 ( 2975 PWs) bands (ev): -3.8348 -3.8348 -2.6998 -2.6998 3.5403 3.5403 4.3286 4.3286 4.4805 4.4805 5.3134 5.3134 5.5743 5.5743 5.8459 5.8459 6.7161 6.7161 7.3174 7.3174 7.6228 7.6228 7.8012 7.8012 8.4273 8.4273 8.5092 8.5092 9.6325 9.6325 9.7067 9.7067 9.9099 9.9099 10.0658 10.0658 k = 0.2167 0.2167-0.0000 ( 2979 PWs) bands (ev): -3.8831 -3.8831 -2.7103 -2.7103 3.4811 3.4811 4.3855 4.3855 4.5558 4.5558 5.3005 5.3005 5.5771 5.5771 5.8580 5.8580 6.6925 6.6925 7.3606 7.3606 7.6313 7.6313 7.8406 7.8406 8.4343 8.4343 8.5303 8.5303 9.6358 9.6358 9.7532 9.7532 9.9711 9.9711 10.1198 10.1198 k = 0.2083 0.2083-0.0000 ( 2987 PWs) bands (ev): -3.9301 -3.9301 -2.7208 -2.7208 3.4221 3.4221 4.4422 4.4422 4.6334 4.6334 5.2879 5.2879 5.5783 5.5783 5.8734 5.8734 6.6691 6.6691 7.4054 7.4054 7.6381 7.6381 7.8769 7.8769 8.4428 8.4428 8.5525 8.5525 9.6380 9.6380 9.7975 9.7975 10.0335 10.0335 10.1763 10.1763 k = 0.2000 0.2000-0.0000 ( 2991 PWs) bands (ev): -3.9759 -3.9759 -2.7313 -2.7313 3.3638 3.3638 4.4983 4.4983 4.7126 4.7126 5.2760 5.2760 5.5781 5.5781 5.8920 5.8920 6.6457 6.6457 7.4519 7.4519 7.6435 7.6435 7.9098 7.9098 8.4534 8.4534 8.5754 8.5754 9.6397 9.6397 9.8389 9.8389 10.0970 10.0970 10.2354 10.2354 k = 0.1917 0.1917-0.0000 ( 2991 PWs) bands (ev): -4.0203 -4.0203 -2.7416 -2.7416 3.3067 3.3067 4.5537 4.5537 4.7928 4.7928 5.2650 5.2650 5.5766 5.5766 5.9134 5.9134 6.6227 6.6227 7.4998 7.4998 7.6477 7.6477 7.9386 7.9386 8.4665 8.4665 8.5987 8.5987 9.6410 9.6410 9.8766 9.8766 10.1615 10.1615 10.2971 10.2971 k = 0.1833 0.1833-0.0000 ( 2995 PWs) bands (ev): -4.0633 -4.0633 -2.7518 -2.7518 3.2511 3.2511 4.6080 4.6080 4.8735 4.8735 5.2553 5.2553 5.5741 5.5741 5.9374 5.9374 6.5999 6.5999 7.5484 7.5484 7.6516 7.6516 7.9632 7.9632 8.4822 8.4822 8.6223 8.6223 9.6420 9.6420 9.9100 9.9100 10.2267 10.2267 10.3618 10.3618 k = 0.1750 0.1750-0.0000 ( 2995 PWs) bands (ev): -4.1048 -4.1048 -2.7619 -2.7619 3.1972 3.1972 4.6608 4.6608 4.9536 4.9536 5.2475 5.2475 5.5709 5.5709 5.9635 5.9635 6.5775 6.5775 7.5957 7.5957 7.6575 7.6575 7.9833 7.9833 8.5006 8.5006 8.6459 8.6459 9.6428 9.6428 9.9387 9.9387 10.2923 10.2923 10.4294 10.4294 k = 0.1667 0.1667-0.0000 ( 2991 PWs) bands (ev): -4.1448 -4.1448 -2.7717 -2.7717 3.1451 3.1451 4.7118 4.7118 5.0315 5.0315 5.2435 5.2435 5.5671 5.5671 5.9915 5.9915 6.5555 6.5555 7.6296 7.6296 7.6773 7.6773 7.9990 7.9990 8.5215 8.5215 8.6695 8.6695 9.6434 9.6434 9.9623 9.9623 10.3582 10.3582 10.5000 10.5000 k = 0.1583 0.1583-0.0000 ( 2995 PWs) bands (ev): -4.1831 -4.1831 -2.7813 -2.7813 3.0950 3.0950 4.7605 4.7605 5.1029 5.1029 5.2474 5.2474 5.5630 5.5630 6.0211 6.0211 6.5340 6.5340 7.6394 7.6394 7.7222 7.7222 8.0103 8.0103 8.5444 8.5444 8.6928 8.6928 9.6437 9.6437 9.9804 9.9804 10.4242 10.4242 10.5735 10.5735 k = 0.1500 0.1500-0.0000 ( 3003 PWs) bands (ev): -4.2198 -4.2198 -2.7906 -2.7906 3.0470 3.0470 4.8061 4.8061 5.1557 5.1557 5.2714 5.2714 5.5588 5.5588 6.0520 6.0520 6.5130 6.5130 7.6408 7.6408 7.7764 7.7764 8.0177 8.0177 8.5687 8.5687 8.7157 8.7157 9.6438 9.6438 9.9925 9.9925 10.4904 10.4904 10.6496 10.6496 k = 0.1417 0.1417-0.0000 ( 3003 PWs) bands (ev): -4.2547 -4.2547 -2.7996 -2.7996 3.0013 3.0013 4.8481 4.8481 5.1804 5.1804 5.3252 5.3252 5.5548 5.5548 6.0839 6.0839 6.4927 6.4927 7.6401 7.6401 7.8338 7.8338 8.0216 8.0216 8.5939 8.5939 8.7382 8.7382 9.6439 9.6439 9.9985 9.9985 10.5568 10.5568 10.7281 10.7281 k = 0.1333 0.1333-0.0000 ( 2999 PWs) bands (ev): -4.2879 -4.2879 -2.8083 -2.8083 2.9578 2.9578 4.8856 4.8856 5.1912 5.1912 5.3947 5.3947 5.5512 5.5512 6.1168 6.1168 6.4731 6.4731 7.6383 7.6383 7.8934 7.8934 8.0223 8.0223 8.6194 8.6194 8.7602 8.7602 9.6438 9.6438 9.9981 9.9981 10.6235 10.6235 10.8086 10.8086 k = 0.1250 0.1250-0.0000 ( 3007 PWs) bands (ev): -4.3193 -4.3193 -2.8167 -2.8167 2.9167 2.9167 4.9175 4.9175 5.2000 5.2000 5.4673 5.4673 5.5490 5.5490 6.1503 6.1503 6.4541 6.4541 7.6359 7.6359 7.9547 7.9547 8.0203 8.0203 8.6445 8.6445 8.7814 8.7814 9.6437 9.6437 9.9911 9.9911 10.6904 10.6904 10.8907 10.8907 k = 0.1167 0.1167-0.0000 ( 3009 PWs) bands (ev): -4.3488 -4.3488 -2.8246 -2.8246 2.8780 2.8780 4.9432 4.9432 5.2110 5.2110 5.5278 5.5278 5.5594 5.5594 6.1845 6.1845 6.4360 6.4360 7.6332 7.6332 8.0123 8.0123 8.0213 8.0213 8.6689 8.6689 8.8018 8.8018 9.6437 9.6437 9.9775 9.9775 10.7576 10.7576 10.9739 10.9739 k = 0.1083 0.1083-0.0000 ( 3007 PWs) bands (ev): -4.3765 -4.3765 -2.8321 -2.8321 2.8417 2.8417 4.9626 4.9626 5.2255 5.2255 5.5369 5.5369 5.6203 5.6203 6.2190 6.2190 6.4186 6.4186 7.6303 7.6303 8.0089 8.0089 8.0829 8.0829 8.6922 8.6922 8.8212 8.8212 9.6437 9.6437 9.9575 9.9575 10.8249 10.8249 11.0580 11.0580 k = 0.1000 0.1000-0.0000 ( 2999 PWs) bands (ev): -4.4022 -4.4022 -2.8392 -2.8392 2.8080 2.8080 4.9760 4.9760 5.2431 5.2431 5.5367 5.5367 5.6886 5.6886 6.2538 6.2538 6.4023 6.4023 7.6273 7.6273 8.0007 8.0007 8.1487 8.1487 8.7140 8.7140 8.8397 8.8397 9.6438 9.6438 9.9311 9.9311 10.8922 10.8922 11.1423 11.1423 k = 0.0917 0.0917-0.0000 ( 2993 PWs) bands (ev): -4.4260 -4.4260 -2.8458 -2.8458 2.7769 2.7769 4.9845 4.9845 5.2627 5.2627 5.5363 5.5363 5.7542 5.7542 6.2886 6.2886 6.3872 6.3872 7.6243 7.6243 7.9910 7.9910 8.2157 8.2157 8.7340 8.7340 8.8572 8.8572 9.6440 9.6440 9.8987 9.8987 10.9592 10.9592 11.2264 11.2264 k = 0.0833 0.0833-0.0000 ( 2989 PWs) bands (ev): -4.4478 -4.4478 -2.8519 -2.8519 2.7483 2.7483 4.9893 4.9893 5.2830 5.2830 5.5369 5.5369 5.8158 5.8158 6.3226 6.3226 6.3741 6.3741 7.6215 7.6215 7.9801 7.9801 8.2836 8.2836 8.7521 8.7521 8.8734 8.8734 9.6442 9.6442 9.8608 9.8608 11.0254 11.0254 11.3098 11.3098 k = 0.0750 0.0750-0.0000 ( 2989 PWs) bands (ev): -4.4676 -4.4676 -2.8574 -2.8574 2.7224 2.7224 4.9916 4.9916 5.3027 5.3027 5.5387 5.5387 5.8724 5.8724 6.3479 6.3479 6.3704 6.3704 7.6188 7.6188 7.9682 7.9682 8.3520 8.3520 8.7683 8.7683 8.8883 8.8883 9.6442 9.6442 9.8180 9.8180 11.0903 11.0903 11.3919 11.3919 k = 0.0667 0.0667-0.0000 ( 2987 PWs) bands (ev): -4.4853 -4.4853 -2.8625 -2.8625 2.6991 2.6991 4.9922 4.9922 5.3208 5.3208 5.5417 5.5417 5.9235 5.9235 6.3433 6.3433 6.3973 6.3973 7.6163 7.6163 7.9557 7.9557 8.4205 8.4205 8.7827 8.7827 8.9020 8.9020 9.6439 9.6439 9.7714 9.7714 11.1533 11.1533 11.4720 11.4720 k = 0.0583 0.0583-0.0000 ( 2991 PWs) bands (ev): -4.5011 -4.5011 -2.8670 -2.8670 2.6785 2.6785 4.9917 4.9917 5.3365 5.3365 5.5458 5.5458 5.9687 5.9687 6.3332 6.3332 6.4298 6.4298 7.6141 7.6141 7.9430 7.9430 8.4884 8.4884 8.7952 8.7952 8.9142 8.9142 9.6419 9.6419 9.7230 9.7230 11.2135 11.2135 11.5492 11.5492 k = 0.0500 0.0500-0.0000 ( 2987 PWs) bands (ev): -4.5147 -4.5147 -2.8709 -2.8709 2.6606 2.6606 4.9907 4.9907 5.3497 5.3497 5.5509 5.5509 6.0078 6.0078 6.3239 6.3239 6.4612 6.4612 7.6121 7.6121 7.9304 7.9304 8.5548 8.5548 8.8063 8.8063 8.9251 8.9251 9.6323 9.6323 9.6800 9.6800 11.2698 11.2698 11.6226 11.6226 k = 0.0417 0.0417-0.0000 ( 2985 PWs) bands (ev): -4.5263 -4.5263 -2.8743 -2.8743 2.6455 2.6455 4.9895 4.9895 5.3602 5.3602 5.5565 5.5565 6.0406 6.0406 6.3156 6.3156 6.4903 6.4903 7.6105 7.6105 7.9186 7.9186 8.6181 8.6181 8.8164 8.8164 8.9348 8.9348 9.5978 9.5978 9.6611 9.6611 11.3211 11.3211 11.6909 11.6909 k = 0.0333 0.0333-0.0000 ( 2985 PWs) bands (ev): -4.5358 -4.5358 -2.8770 -2.8770 2.6331 2.6331 4.9882 4.9882 5.3681 5.3681 5.5622 5.5622 6.0672 6.0672 6.3087 6.3087 6.5160 6.5160 7.6093 7.6093 7.9078 7.9078 8.6757 8.6757 8.8261 8.8261 8.9434 8.9434 9.5492 9.5492 9.6573 9.6573 11.3658 11.3658 11.7523 11.7523 k = 0.0250 0.0250-0.0000 ( 2989 PWs) bands (ev): -4.5432 -4.5432 -2.8792 -2.8792 2.6234 2.6234 4.9871 4.9871 5.3740 5.3740 5.5673 5.5673 6.0877 6.0877 6.3031 6.3031 6.5372 6.5372 7.6082 7.6082 7.8988 7.8988 8.7237 8.7237 8.8369 8.8369 8.9508 8.9508 9.5014 9.5014 9.6565 9.6565 11.4026 11.4026 11.8048 11.8048 k = 0.0167 0.0167-0.0000 ( 2993 PWs) bands (ev): -4.5485 -4.5485 -2.8807 -2.8807 2.6164 2.6164 4.9863 4.9863 5.3778 5.3778 5.5713 5.5713 6.1021 6.1021 6.2990 6.2990 6.5531 6.5531 7.6075 7.6075 7.8919 7.8919 8.7577 8.7577 8.8496 8.8496 8.9574 8.9574 9.4606 9.4606 9.6564 9.6564 11.4301 11.4301 11.8456 11.8456 k = 0.0083 0.0083-0.0000 ( 2985 PWs) bands (ev): -4.5517 -4.5517 -2.8817 -2.8817 2.6123 2.6123 4.9858 4.9858 5.3801 5.3801 5.5739 5.5739 6.1108 6.1108 6.2966 6.2966 6.5629 6.5629 7.6072 7.6072 7.8878 7.8878 8.7761 8.7761 8.8617 8.8617 8.9625 8.9625 9.4325 9.4325 9.6564 9.6564 11.4471 11.4471 11.8717 11.8717 k = 0.0000 0.0000 0.0000 ( 2985 PWs) bands (ev): -4.5528 -4.5528 -2.8820 -2.8820 2.6109 2.6109 4.9856 4.9856 5.3808 5.3808 5.5748 5.5748 6.1136 6.1136 6.2958 6.2958 6.5663 6.5663 7.6071 7.6071 7.8863 7.8863 8.7815 8.7815 8.8668 8.8668 8.9646 8.9646 9.4223 9.4223 9.6565 9.6565 11.4529 11.4529 11.8808 11.8808 k = 0.0000 0.0000 0.0000 ( 2985 PWs) bands (ev): -4.5528 -4.5528 -2.8820 -2.8820 2.6109 2.6109 4.9856 4.9856 5.3808 5.3808 5.5748 5.5748 6.1136 6.1136 6.2958 6.2958 6.5663 6.5663 7.6071 7.6071 7.8863 7.8863 8.7815 8.7815 8.8668 8.8668 8.9646 8.9646 9.4223 9.4223 9.6565 9.6565 11.4529 11.4529 11.8808 11.8808 k = 0.0000 0.0000 0.0117 ( 2989 PWs) bands (ev): -4.5517 -4.5517 -2.8840 -2.8840 2.6137 2.6137 4.9845 4.9845 5.3795 5.3795 5.5738 5.5738 6.1154 6.1154 6.2958 6.2958 6.5678 6.5678 7.6078 7.6078 7.8864 7.8864 8.7819 8.7819 8.8671 8.8671 8.9647 8.9647 9.4185 9.4185 9.6565 9.6565 11.4487 11.4487 11.8760 11.8760 k = 0.0000 0.0000 0.0235 ( 2985 PWs) bands (ev): -4.5487 -4.5487 -2.8900 -2.8900 2.6221 2.6221 4.9812 4.9812 5.3758 5.3758 5.5710 5.5710 6.1207 6.1207 6.2958 6.2958 6.5724 6.5724 7.6104 7.6104 7.8870 7.8870 8.7832 8.7832 8.8683 8.8683 8.9651 8.9651 9.4074 9.4074 9.6565 9.6565 11.4364 11.4364 11.8618 11.8618 k = 0.0000 0.0000 0.0352 ( 2977 PWs) bands (ev): -4.5437 -4.5437 -2.8999 -2.8999 2.6360 2.6360 4.9758 4.9758 5.3697 5.3697 5.5664 5.5664 6.1293 6.1293 6.2958 6.2958 6.5799 6.5799 7.6143 7.6143 7.8881 7.8881 8.7854 8.7854 8.8703 8.8703 8.9657 8.9657 9.3892 9.3892 9.6564 9.6564 11.4164 11.4164 11.8386 11.8386 k = 0.0000 0.0000 0.0470 ( 2977 PWs) bands (ev): -4.5367 -4.5367 -2.9137 -2.9137 2.6553 2.6553 4.9683 4.9683 5.3614 5.3614 5.5601 5.5601 6.1410 6.1410 6.2959 6.2959 6.5902 6.5902 7.6198 7.6198 7.8897 7.8897 8.7882 8.7882 8.8728 8.8728 8.9664 8.9664 9.3643 9.3643 9.6564 9.6564 11.3890 11.3890 11.8070 11.8070 k = 0.0000 0.0000 0.0587 ( 2973 PWs) bands (ev): -4.5276 -4.5276 -2.9313 -2.9313 2.6799 2.6799 4.9586 4.9586 5.3513 5.3513 5.5523 5.5523 6.1555 6.1555 6.2959 6.2959 6.6030 6.6030 7.6269 7.6269 7.8917 7.8917 8.7919 8.7919 8.8761 8.8761 8.9675 8.9675 9.3332 9.3332 9.6564 9.6564 11.3551 11.3551 11.7679 11.7679 k = 0.0000 0.0000 0.0705 ( 2976 PWs) bands (ev): -4.5166 -4.5166 -2.9523 -2.9523 2.7094 2.7094 4.9468 4.9468 5.3395 5.3395 5.5433 5.5433 6.1723 6.1723 6.2960 6.2960 6.6181 6.6181 7.6355 7.6355 7.8940 7.8940 8.7964 8.7964 8.8799 8.8799 8.9690 8.9690 9.2965 9.2965 9.6563 9.6563 11.3153 11.3153 11.7222 11.7222 k = 0.0000 0.0000 0.0822 ( 2992 PWs) bands (ev): -4.5037 -4.5037 -2.9768 -2.9768 2.7437 2.7437 4.9328 4.9328 5.3263 5.3263 5.5331 5.5331 6.1912 6.1912 6.2959 6.2959 6.6352 6.6352 7.6457 7.6457 7.8967 7.8967 8.8016 8.8016 8.8842 8.8842 8.9708 8.9708 9.2550 9.2550 9.6562 9.6562 11.2705 11.2705 11.6709 11.6709 k = 0.0000 0.0000 0.0940 ( 2996 PWs) bands (ev): -4.4888 -4.4888 -3.0043 -3.0043 2.7825 2.7825 4.9166 4.9166 5.3122 5.3122 5.5221 5.5221 6.2118 6.2118 6.2959 6.2959 6.6540 6.6540 7.6576 7.6576 7.8999 7.8999 8.8075 8.8075 8.8889 8.8889 8.9730 8.9730 9.2093 9.2093 9.6562 9.6562 11.2215 11.2215 11.6149 11.6149 k = 0.0000 0.0000 0.1057 ( 3004 PWs) bands (ev): -4.4720 -4.4720 -3.0349 -3.0349 2.8256 2.8256 4.8981 4.8981 5.2971 5.2971 5.5105 5.5105 6.2337 6.2337 6.2962 6.2962 6.6742 6.6742 7.6710 7.6710 7.9032 7.9032 8.8144 8.8144 8.8939 8.8939 8.9761 8.9761 9.1602 9.1602 9.6561 9.6561 11.1691 11.1691 11.5553 11.5553 k = 0.0000 0.0000 0.1175 ( 2988 PWs) bands (ev): -4.4533 -4.4533 -3.0680 -3.0680 2.8724 2.8724 4.8775 4.8775 5.2817 5.2817 5.4986 5.4986 6.2567 6.2567 6.2962 6.2962 6.6955 6.6955 7.6862 7.6862 7.9068 7.9068 8.8221 8.8221 8.8992 8.8992 8.9799 8.9799 9.1082 9.1082 9.6561 9.6561 11.1142 11.1142 11.4930 11.4930 k = 0.0000 0.0000 0.1292 ( 2988 PWs) bands (ev): -4.4328 -4.4328 -3.1036 -3.1036 2.9228 2.9228 4.8547 4.8547 5.2659 5.2659 5.4864 5.4864 6.2802 6.2802 6.2963 6.2963 6.7175 6.7175 7.7030 7.7030 7.9106 7.9106 8.8306 8.8306 8.9043 8.9043 8.9847 8.9847 9.0541 9.0541 9.6561 9.6561 11.0573 11.0573 11.4288 11.4288 k = 0.0000 0.0000 0.1410 ( 2980 PWs) bands (ev): -4.4105 -4.4105 -3.1414 -3.1414 2.9764 2.9764 4.8296 4.8296 5.2500 5.2500 5.4741 5.4741 6.2963 6.2963 6.3040 6.3040 6.7400 6.7400 7.7214 7.7214 7.9146 7.9146 8.8398 8.8398 8.9092 8.9092 8.9907 8.9907 8.9984 8.9984 9.6561 9.6561 10.9994 10.9994 11.3635 11.3635 k = 0.0000 0.0000 0.1527 ( 2980 PWs) bands (ev): -4.3865 -4.3865 -3.1810 -3.1810 3.0326 3.0326 4.8022 4.8022 5.2343 5.2343 5.4620 5.4620 6.2964 6.2964 6.3278 6.3278 6.7626 6.7626 7.7415 7.7415 7.9186 7.9186 8.8496 8.8496 8.9136 8.9136 8.9415 8.9415 8.9978 8.9978 9.6560 9.6560 10.9410 10.9410 11.2980 11.2980 k = 0.0000 0.0000 0.1645 ( 2976 PWs) bands (ev): -4.3608 -4.3608 -3.2222 -3.2222 3.0912 3.0912 4.7725 4.7725 5.2188 5.2188 5.4501 5.4501 6.2964 6.2964 6.3513 6.3513 6.7851 6.7851 7.7634 7.7634 7.9227 7.9227 8.8597 8.8597 8.8844 8.8844 8.9176 8.9176 9.0062 9.0062 9.6560 9.6560 10.8829 10.8829 11.2329 11.2329 k = 0.0000 0.0000 0.1762 ( 2976 PWs) bands (ev): -4.3335 -4.3335 -3.2647 -3.2647 3.1516 3.1516 4.7406 4.7406 5.2039 5.2039 5.4386 5.4386 6.2964 6.2964 6.3742 6.3742 6.8071 6.8071 7.7869 7.7869 7.9267 7.9267 8.8258 8.8258 8.8715 8.8715 8.9209 8.9209 9.0158 9.0158 9.6559 9.6559 10.8255 10.8255 11.1690 11.1690 k = 0.0000 0.0000 0.1880 ( 2988 PWs) bands (ev): -4.3048 -4.3048 -3.3083 -3.3083 3.2134 3.2134 4.7066 4.7066 5.1897 5.1897 5.4277 5.4277 6.2963 6.2963 6.3963 6.3963 6.8284 6.8284 7.8120 7.8120 7.9307 7.9307 8.7683 8.7683 8.8827 8.8827 8.9235 8.9235 9.0262 9.0262 9.6559 9.6559 10.7697 10.7697 11.1069 11.1069 k = 0.0000 0.0000 0.1997 ( 2988 PWs) bands (ev): -4.2746 -4.2746 -3.3526 -3.3526 3.2761 3.2761 4.6705 4.6705 5.1763 5.1763 5.4174 5.4174 6.2963 6.2963 6.4174 6.4174 6.8488 6.8488 7.8388 7.8388 7.9345 7.9345 8.7111 8.7111 8.8943 8.8943 8.9258 8.9258 9.0376 9.0376 9.6558 9.6558 10.7159 10.7159 11.0471 11.0471 k = 0.0000 0.0000 0.2115 ( 3004 PWs) bands (ev): -4.2432 -4.2432 -3.3973 -3.3973 3.3391 3.3391 4.6326 4.6326 5.1638 5.1638 5.4077 5.4077 6.2964 6.2964 6.4372 6.4372 6.8681 6.8681 7.8673 7.8673 7.9380 7.9380 8.6544 8.6544 8.9060 8.9060 8.9277 8.9277 9.0495 9.0495 9.6556 9.6556 10.6647 10.6647 10.9904 10.9904 k = 0.0000 0.0000 0.2232 ( 3004 PWs) bands (ev): -4.2107 -4.2107 -3.4421 -3.4421 3.4019 3.4019 4.5932 4.5932 5.1524 5.1524 5.3989 5.3989 6.2964 6.2964 6.4555 6.4555 6.8859 6.8859 7.8975 7.8975 7.9415 7.9415 8.5987 8.5987 8.9177 8.9177 8.9292 8.9292 9.0616 9.0616 9.6556 9.6556 10.6169 10.6169 10.9375 10.9375 k = 0.0000 0.0000 0.2350 ( 3004 PWs) bands (ev): -4.1775 -4.1775 -3.4866 -3.4866 3.4635 3.4635 4.5528 4.5528 5.1422 5.1422 5.3910 5.3910 6.2964 6.2964 6.4721 6.4721 6.9021 6.9021 7.9293 7.9293 7.9446 7.9446 8.5439 8.5439 8.9289 8.9289 8.9304 8.9304 9.0735 9.0735 9.6555 9.6555 10.5728 10.5728 10.8889 10.8889 k = 0.0000 0.0000 0.2467 ( 3004 PWs) bands (ev): -4.1438 -4.1438 -3.5303 -3.5303 3.5231 3.5231 4.5121 4.5121 5.1333 5.1333 5.3841 5.3841 6.2964 6.2964 6.4869 6.4869 6.9165 6.9165 7.9475 7.9475 7.9628 7.9628 8.4904 8.4904 8.9314 8.9314 8.9395 8.9395 9.0850 9.0850 9.6554 9.6554 10.5332 10.5332 10.8451 10.8451 k = 0.0000 0.0000 0.2585 ( 3004 PWs) bands (ev): -4.1102 -4.1102 -3.5725 -3.5725 3.5795 3.5795 4.4721 4.4721 5.1256 5.1256 5.3781 5.3781 6.2964 6.2964 6.4996 6.4996 6.9290 6.9290 7.9499 7.9499 7.9980 7.9980 8.4381 8.4381 8.9322 8.9322 8.9492 8.9492 9.0955 9.0955 9.6554 9.6554 10.4985 10.4985 10.8069 10.8069 k = 0.0000 0.0000 0.2702 ( 3012 PWs) bands (ev): -4.0775 -4.0775 -3.6123 -3.6123 3.6312 3.6312 4.4340 4.4340 5.1192 5.1192 5.3732 5.3732 6.2964 6.2964 6.5103 6.5103 6.9395 6.9395 7.9517 7.9517 8.0348 8.0348 8.3872 8.3872 8.9327 8.9327 8.9576 8.9576 9.1048 9.1048 9.6553 9.6553 10.4693 10.4693 10.7747 10.7747 k = 0.0000 0.0000 0.2820 ( 3012 PWs) bands (ev): -4.0472 -4.0472 -3.6483 -3.6483 3.6761 3.6761 4.3999 4.3999 5.1143 5.1143 5.3693 5.3693 6.2964 6.2964 6.5187 6.5187 6.9477 6.9477 7.9534 7.9534 8.0732 8.0732 8.3378 8.3378 8.9332 8.9332 8.9646 8.9646 9.1125 9.1125 9.6553 9.6553 10.4461 10.4461 10.7490 10.7490 k = 0.0000 0.0000 0.2937 ( 3016 PWs) bands (ev): -4.0213 -4.0213 -3.6783 -3.6783 3.7115 3.7115 4.3722 4.3722 5.1107 5.1107 5.3666 5.3666 6.2965 6.2965 6.5247 6.5247 6.9536 6.9536 7.9546 7.9546 8.1132 8.1132 8.2899 8.2899 8.9334 8.9334 8.9697 8.9697 9.1181 9.1181 9.6552 9.6552 10.4292 10.4292 10.7304 10.7304 k = 0.0000 0.0000 0.3055 ( 3024 PWs) bands (ev): -4.0033 -4.0033 -3.6988 -3.6988 3.7345 3.7345 4.3539 4.3539 5.1086 5.1086 5.3649 5.3649 6.2963 6.2963 6.5283 6.5283 6.9572 6.9572 7.9553 7.9553 8.1546 8.1546 8.2436 8.2436 8.9334 8.9334 8.9729 8.9729 9.1217 9.1217 9.6552 9.6552 10.4189 10.4189 10.7191 10.7191 k = 0.0000 0.0000 0.3172 ( 3024 PWs) bands (ev): -3.9966 -3.9966 -3.7062 -3.7062 3.7425 3.7425 4.3474 4.3474 5.1079 5.1079 5.3643 5.3643 6.2963 6.2963 6.5296 6.5296 6.9584 6.9584 7.9556 7.9556 8.1921 8.1921 8.2045 8.2045 8.9335 8.9335 8.9739 8.9739 9.1229 9.1229 9.6552 9.6552 10.4154 10.4154 10.7153 10.7153 k = 0.0000 0.0000 0.3172 ( 3024 PWs) bands (ev): -3.9966 -3.9966 -3.7062 -3.7062 3.7425 3.7425 4.3474 4.3474 5.1079 5.1079 5.3643 5.3643 6.2963 6.2963 6.5296 6.5296 6.9584 6.9584 7.9556 7.9556 8.1921 8.1921 8.2045 8.2045 8.9335 8.9335 8.9739 8.9739 9.1229 9.1229 9.6552 9.6552 10.4154 10.4154 10.7153 10.7153 k = 0.0000 0.0119 0.3172 ( 3016 PWs) bands (ev): -3.9957 -3.9957 -3.7055 -3.7055 3.7425 3.7425 4.3472 4.3472 5.1073 5.1073 5.3637 5.3637 6.2972 6.2972 6.5272 6.5272 6.9555 6.9555 7.9564 7.9564 8.1903 8.1903 8.2048 8.2048 8.9327 8.9327 8.9734 8.9734 9.1209 9.1209 9.6571 9.6571 10.4132 10.4132 10.7121 10.7121 k = 0.0000 0.0238 0.3172 ( 3016 PWs) bands (ev): -3.9929 -3.9929 -3.7032 -3.7032 3.7426 3.7426 4.3462 4.3462 5.1057 5.1057 5.3618 5.3618 6.2995 6.2995 6.5200 6.5200 6.9470 6.9470 7.9586 7.9586 8.1854 8.1854 8.2052 8.2052 8.9300 8.9300 8.9717 8.9717 9.1149 9.1149 9.6627 9.6627 10.4062 10.4062 10.7034 10.7034 k = 0.0000 0.0357 0.3172 ( 3014 PWs) bands (ev): -3.9883 -3.9883 -3.6995 -3.6995 3.7426 3.7426 4.3445 4.3445 5.1030 5.1030 5.3589 5.3589 6.3034 6.3034 6.5079 6.5079 6.9335 6.9335 7.9612 7.9612 8.1782 8.1782 8.2055 8.2055 8.9254 8.9254 8.9690 8.9690 9.1056 9.1056 9.6717 9.6717 10.3940 10.3940 10.6906 10.6906 k = 0.0000 0.0476 0.3172 ( 3014 PWs) bands (ev): -3.9818 -3.9818 -3.6943 -3.6943 3.7426 3.7426 4.3418 4.3418 5.0991 5.0991 5.3554 5.3554 6.3088 6.3088 6.4906 6.4906 6.9157 6.9157 7.9627 7.9627 8.1691 8.1691 8.2065 8.2065 8.9190 8.9190 8.9652 8.9652 9.0937 9.0937 9.6839 9.6839 10.3760 10.3760 10.6761 10.6761 k = 0.0000 0.0595 0.3172 ( 3010 PWs) bands (ev): -3.9735 -3.9735 -3.6876 -3.6876 3.7424 3.7424 4.3378 4.3378 5.0938 5.0938 5.3517 5.3517 6.3159 6.3159 6.4678 6.4678 6.8949 6.8949 7.9614 7.9614 8.1581 8.1581 8.2093 8.2093 8.9108 8.9108 8.9604 8.9604 9.0803 9.0803 9.6989 9.6989 10.3519 10.3519 10.6621 10.6621 k = 0.0000 0.0714 0.3172 ( 3006 PWs) bands (ev): -3.9633 -3.9633 -3.6795 -3.6795 3.7419 3.7419 4.3319 4.3319 5.0874 5.0874 5.3484 5.3484 6.3243 6.3243 6.4393 6.4393 6.8719 6.8719 7.9558 7.9558 8.1453 8.1453 8.2148 8.2148 8.9006 8.9006 8.9540 8.9540 9.0668 9.0668 9.7163 9.7163 10.3221 10.3221 10.6503 10.6503 k = 0.0000 0.0833 0.3172 ( 3002 PWs) bands (ev): -3.9515 -3.9515 -3.6699 -3.6699 3.7409 3.7409 4.3238 4.3238 5.0800 5.0800 5.3459 5.3459 6.3344 6.3344 6.4051 6.4051 6.8478 6.8478 7.9451 7.9451 8.1304 8.1304 8.2235 8.2235 8.8883 8.8883 8.9454 8.9454 9.0551 9.0551 9.7359 9.7359 10.2876 10.2876 10.6417 10.6417 k = 0.0000 0.0952 0.3172 ( 2994 PWs) bands (ev): -3.9378 -3.9378 -3.6590 -3.6590 3.7394 3.7394 4.3129 4.3129 5.0719 5.0719 5.3446 5.3446 6.3458 6.3458 6.3654 6.3654 6.8233 6.8233 7.9293 7.9293 8.1134 8.1134 8.2351 8.2351 8.8741 8.8741 8.9335 8.9335 9.0475 9.0475 9.7573 9.7573 10.2500 10.2500 10.6362 10.6362 k = 0.0000 0.1071 0.3172 ( 2998 PWs) bands (ev): -3.9225 -3.9225 -3.6468 -3.6468 3.7369 3.7369 4.2983 4.2983 5.0636 5.0636 5.3448 5.3448 6.3197 6.3197 6.3592 6.3592 6.7990 6.7990 7.9091 7.9091 8.0944 8.0944 8.2486 8.2486 8.8578 8.8578 8.9175 8.9175 9.0453 9.0453 9.7803 9.7803 10.2108 10.2108 10.6336 10.6336 k = 0.0000 0.1190 0.3172 ( 2998 PWs) bands (ev): -3.9055 -3.9055 -3.6332 -3.6332 3.7334 3.7334 4.2796 4.2796 5.0558 5.0558 5.3467 5.3467 6.2700 6.2700 6.3736 6.3736 6.7752 6.7752 7.8855 7.8855 8.0734 8.0734 8.2629 8.2629 8.8393 8.8393 8.8977 8.8977 9.0494 9.0494 9.8048 9.8048 10.1716 10.1716 10.6334 10.6334 k = 0.0000 0.1310 0.3172 ( 2996 PWs) bands (ev): -3.8870 -3.8870 -3.6184 -3.6184 3.7285 3.7285 4.2561 4.2561 5.0494 5.0494 5.3502 5.3502 6.2164 6.2164 6.3897 6.3897 6.7519 6.7519 7.8594 7.8594 8.0506 8.0506 8.2768 8.2768 8.8187 8.8187 8.8749 8.8749 9.0596 9.0596 9.8304 9.8304 10.1336 10.1336 10.6352 10.6352 k = 0.0000 0.1429 0.3172 ( 2992 PWs) bands (ev): -3.8668 -3.8668 -3.6025 -3.6025 3.7219 3.7219 4.2273 4.2273 5.0451 5.0451 5.3553 5.3553 6.1599 6.1599 6.4074 6.4074 6.7291 6.7291 7.8317 7.8317 8.0262 8.0262 8.2893 8.2893 8.7958 8.7958 8.8502 8.8502 9.0754 9.0754 9.8571 9.8571 10.0979 10.0979 10.6387 10.6387 k = 0.0000 0.1548 0.3172 ( 2988 PWs) bands (ev): -3.8453 -3.8453 -3.5854 -3.5854 3.7133 3.7133 4.1930 4.1930 5.0435 5.0435 5.3619 5.3619 6.1017 6.1017 6.4264 6.4264 6.7067 6.7067 7.8032 7.8032 8.0004 8.0004 8.2999 8.2999 8.7707 8.7707 8.8240 8.8240 9.0966 9.0966 9.8846 9.8846 10.0651 10.0651 10.6434 10.6434 k = 0.0000 0.1667 0.3172 ( 2990 PWs) bands (ev): -3.8223 -3.8223 -3.5672 -3.5672 3.7023 3.7023 4.1530 4.1530 5.0451 5.0451 5.3699 5.3699 6.0429 6.0429 6.4470 6.4470 6.6845 6.6845 7.7745 7.7745 7.9735 7.9735 8.3080 8.3080 8.7433 8.7433 8.7969 8.7969 9.1227 9.1227 9.9127 9.9127 10.0358 10.0358 10.6493 10.6493 k = 0.0000 0.1786 0.3172 ( 2986 PWs) bands (ev): -3.7979 -3.7979 -3.5481 -3.5481 3.6887 3.6887 4.1076 4.1076 5.0501 5.0501 5.3791 5.3791 5.9845 5.9845 6.4689 6.4689 6.6625 6.6625 7.7462 7.7462 7.9457 7.9457 8.3135 8.3135 8.7137 8.7137 8.7691 8.7691 9.1534 9.1534 9.9402 9.9402 10.0115 10.0115 10.6561 10.6561 k = 0.0000 0.1905 0.3172 ( 2992 PWs) bands (ev): -3.7724 -3.7724 -3.5280 -3.5280 3.6720 3.6720 4.0572 4.0572 5.0585 5.0585 5.3892 5.3892 5.9276 5.9276 6.4921 6.4921 6.6406 6.6406 7.7185 7.7185 7.9173 7.9173 8.3160 8.3160 8.6820 8.6820 8.7407 8.7407 9.1881 9.1881 9.9607 9.9607 9.9984 9.9984 10.6637 10.6637 k = 0.0000 0.2024 0.3172 ( 2992 PWs) bands (ev): -3.7457 -3.7457 -3.5072 -3.5072 3.6520 3.6520 4.0021 4.0021 5.0702 5.0702 5.4002 5.4002 5.8734 5.8734 6.5164 6.5164 6.6189 6.6189 7.6920 7.6920 7.8886 7.8886 8.3157 8.3157 8.6487 8.6487 8.7116 8.7116 9.2266 9.2266 9.9567 9.9567 10.0141 10.0141 10.6718 10.6718 k = 0.0000 0.2143 0.3172 ( 2988 PWs) bands (ev): -3.7179 -3.7179 -3.4856 -3.4856 3.6284 3.6284 3.9432 3.9432 5.0850 5.0850 5.4118 5.4118 5.8228 5.8228 6.5408 6.5408 6.5983 6.5983 7.6667 7.6667 7.8599 7.8599 8.3127 8.3127 8.6137 8.6137 8.6818 8.6818 9.2681 9.2681 9.9438 9.9438 10.0429 10.0429 10.6805 10.6805 k = 0.0000 0.2262 0.3172 ( 2988 PWs) bands (ev): -3.6892 -3.6892 -3.4634 -3.4634 3.6011 3.6011 3.8811 3.8811 5.1025 5.1025 5.4235 5.4235 5.7767 5.7767 6.5568 6.5568 6.5874 6.5874 7.6431 7.6431 7.8314 7.8314 8.3071 8.3071 8.5773 8.5773 8.6513 8.6513 9.3124 9.3124 9.9321 9.9321 10.0743 10.0743 10.6895 10.6895 k = 0.0000 0.2381 0.3172 ( 2988 PWs) bands (ev): -3.6597 -3.6597 -3.4408 -3.4408 3.5698 3.5698 3.8164 3.8164 5.1224 5.1224 5.4350 5.4350 5.7362 5.7362 6.5438 6.5438 6.6064 6.6064 7.6210 7.6210 7.8033 7.8033 8.2992 8.2992 8.5396 8.5396 8.6200 8.6200 9.3588 9.3588 9.9230 9.9230 10.1069 10.1069 10.6989 10.6989 k = 0.0000 0.2500 0.3172 ( 2978 PWs) bands (ev): -3.6295 -3.6295 -3.4178 -3.4178 3.5347 3.5347 3.7498 3.7498 5.1445 5.1445 5.4458 5.4458 5.7021 5.7021 6.5220 6.5220 6.6352 6.6352 7.6008 7.6008 7.7759 7.7759 8.2892 8.2892 8.5009 8.5009 8.5880 8.5880 9.4068 9.4068 9.9167 9.9167 10.1401 10.1401 10.7084 10.7084 k = 0.0000 0.2619 0.3172 ( 2986 PWs) bands (ev): -3.5988 -3.5988 -3.3945 -3.3945 3.4959 3.4959 3.6821 3.6821 5.1682 5.1682 5.4551 5.4551 5.6753 5.6753 6.4987 6.4987 6.6665 6.6665 7.5823 7.5823 7.7494 7.7494 8.2770 8.2770 8.4609 8.4609 8.5553 8.5553 9.4560 9.4560 9.9130 9.9130 10.1736 10.1736 10.7179 10.7179 k = 0.0000 0.2738 0.3172 ( 2986 PWs) bands (ev): -3.5676 -3.5676 -3.3711 -3.3711 3.4536 3.4536 3.6138 3.6138 5.1933 5.1933 5.4622 5.4622 5.6567 5.6567 6.4748 6.4748 6.6993 6.6993 7.5658 7.5658 7.7241 7.7241 8.2630 8.2630 8.4200 8.4200 8.5220 8.5220 9.5060 9.5060 9.9119 9.9119 10.2075 10.2075 10.7274 10.7274 k = 0.0000 0.2857 0.3172 ( 2986 PWs) bands (ev): -3.5361 -3.5361 -3.3478 -3.3478 3.4082 3.4082 3.5455 3.5455 5.2194 5.2194 5.4667 5.4667 5.6466 5.6466 6.4503 6.4503 6.7335 6.7335 7.5512 7.5512 7.7002 7.7002 8.2474 8.2474 8.3783 8.3783 8.4882 8.4882 9.5562 9.5562 9.9132 9.9132 10.2416 10.2416 10.7368 10.7368 k = 0.0000 0.2976 0.3172 ( 2990 PWs) bands (ev): -3.5046 -3.5046 -3.3247 -3.3247 3.3602 3.3602 3.4779 3.4779 5.2462 5.2462 5.4687 5.4687 5.6446 5.6446 6.4255 6.4255 6.7690 6.7690 7.5386 7.5386 7.6777 7.6777 8.2302 8.2302 8.3358 8.3358 8.4537 8.4537 9.6062 9.6062 9.9166 9.9166 10.2757 10.2757 10.7459 10.7459 k = 0.0000 0.3095 0.3172 ( 2990 PWs) bands (ev): -3.4731 -3.4731 -3.3019 -3.3019 3.3103 3.3103 3.4113 3.4113 5.2733 5.2733 5.4691 5.4691 5.6496 5.6496 6.4003 6.4003 6.8058 6.8058 7.5279 7.5279 7.6569 7.6569 8.2117 8.2117 8.2925 8.2925 8.4190 8.4190 9.6557 9.6557 9.9220 9.9220 10.3098 10.3098 10.7547 10.7547 k = 0.0000 0.3214 0.3172 ( 2998 PWs) bands (ev): -3.4418 -3.4418 -3.2797 -3.2797 3.2590 3.2590 3.3463 3.3463 5.3005 5.3005 5.4691 5.4691 5.6597 5.6597 6.3749 6.3749 6.8437 6.8437 7.5190 7.5190 7.6379 7.6379 8.1916 8.1916 8.2489 8.2489 8.3840 8.3840 9.7041 9.7041 9.9292 9.9292 10.3438 10.3438 10.7630 10.7630 k = 0.0000 0.3333 0.3172 ( 3000 PWs) bands (ev): -3.4109 -3.4109 -3.2581 -3.2581 3.2071 3.2071 3.2832 3.2832 5.3275 5.3275 5.4697 5.4697 5.6738 5.6738 6.3492 6.3492 6.8827 6.8827 7.5120 7.5120 7.6210 7.6210 8.1697 8.1697 8.2055 8.2055 8.3488 8.3488 9.7510 9.7510 9.9381 9.9381 10.3775 10.3775 10.7707 10.7707 k = 0.0000 0.3452 0.3172 ( 3000 PWs) bands (ev): -3.3806 -3.3806 -3.2374 -3.2374 3.1553 3.1553 3.2224 3.2224 5.3540 5.3540 5.4716 5.4716 5.6905 5.6905 6.3234 6.3234 6.9227 6.9227 7.5067 7.5067 7.6061 7.6061 8.1431 8.1431 8.1655 8.1655 8.3138 8.3138 9.7959 9.7959 9.9485 9.9485 10.4108 10.4108 10.7777 10.7777 k = 0.0000 0.3571 0.3172 ( 2998 PWs) bands (ev): -3.3511 -3.3511 -3.2177 -3.2177 3.1045 3.1045 3.1643 3.1643 5.3796 5.3796 5.4749 5.4749 5.7091 5.7091 6.2973 6.2973 6.9637 6.9637 7.5031 7.5031 7.5934 7.5934 8.1053 8.1053 8.1358 8.1358 8.2790 8.2790 9.8385 9.8385 9.9600 9.9600 10.4436 10.4436 10.7839 10.7839 k = 0.0000 0.3690 0.3172 ( 2986 PWs) bands (ev): -3.3225 -3.3225 -3.1993 -3.1993 3.0554 3.0554 3.1090 3.1090 5.4041 5.4041 5.4796 5.4796 5.7292 5.7292 6.2712 6.2712 7.0058 7.0058 7.5010 7.5010 7.5830 7.5830 8.0608 8.0608 8.1120 8.1120 8.2447 8.2447 9.8783 9.8783 9.9727 9.9727 10.4758 10.4758 10.7891 10.7891 k = 0.0000 0.3810 0.3172 ( 2982 PWs) bands (ev): -3.2951 -3.2951 -3.1822 -3.1822 3.0087 3.0087 3.0569 3.0569 5.4272 5.4272 5.4856 5.4856 5.7503 5.7503 6.2450 6.2450 7.0486 7.0486 7.5004 7.5004 7.5748 7.5748 8.0146 8.0146 8.0895 8.0895 8.2109 8.2109 9.9148 9.9148 9.9864 9.9864 10.5071 10.5071 10.7932 10.7932 k = 0.0000 0.3929 0.3172 ( 2978 PWs) bands (ev): -3.2691 -3.2691 -3.1667 -3.1667 2.9650 2.9650 3.0083 3.0083 5.4487 5.4487 5.4926 5.4926 5.7722 5.7722 6.2187 6.2187 7.0923 7.0923 7.5010 7.5010 7.5688 7.5688 7.9677 7.9677 8.0679 8.0679 8.1780 8.1780 9.9476 9.9476 10.0009 10.0009 10.5375 10.5375 10.7960 10.7960 k = 0.0000 0.4048 0.3172 ( 2982 PWs) bands (ev): -3.2445 -3.2445 -3.1530 -3.1530 2.9248 2.9248 2.9635 2.9635 5.4684 5.4684 5.5003 5.5003 5.7946 5.7946 6.1924 6.1924 7.1366 7.1366 7.5025 7.5025 7.5649 7.5649 7.9202 7.9202 8.0472 8.0472 8.1463 8.1463 9.9762 9.9762 10.0160 10.0160 10.5668 10.5668 10.7974 10.7974 k = 0.0000 0.4167 0.3172 ( 2978 PWs) bands (ev): -3.2217 -3.2217 -3.1412 -3.1412 2.8886 2.8886 2.9228 2.9228 5.4859 5.4859 5.5084 5.5084 5.8176 5.8176 6.1662 6.1662 7.1814 7.1814 7.5050 7.5050 7.5627 7.5627 7.8727 7.8727 8.0281 8.0281 8.1160 8.1160 10.0006 10.0006 10.0315 10.0315 10.5948 10.5948 10.7972 10.7972 k = 0.0000 0.4286 0.3172 ( 2978 PWs) bands (ev): -3.2007 -3.2007 -3.1314 -3.1314 2.8569 2.8569 2.8865 2.8865 5.5012 5.5012 5.5165 5.5165 5.8409 5.8409 6.1401 6.1401 7.2267 7.2267 7.5080 7.5080 7.5620 7.5620 7.8251 7.8251 8.0108 8.0108 8.0875 8.0875 10.0208 10.0208 10.0467 10.0467 10.6214 10.6214 10.7955 10.7955 k = 0.0000 0.4405 0.3172 ( 2982 PWs) bands (ev): -3.1818 -3.1818 -3.1238 -3.1238 2.8299 2.8299 2.8549 2.8549 5.5142 5.5142 5.5241 5.5241 5.8644 5.8644 6.1141 6.1141 7.2722 7.2722 7.5111 7.5111 7.5624 7.5624 7.7779 7.7779 7.9959 7.9959 8.0612 8.0612 10.0376 10.0376 10.0605 10.0605 10.6465 10.6465 10.7919 10.7919 k = 0.0000 0.4524 0.3172 ( 2982 PWs) bands (ev): -3.1650 -3.1650 -3.1184 -3.1184 2.8080 2.8080 2.8281 2.8281 5.5247 5.5247 5.5311 5.5311 5.8884 5.8884 6.0882 6.0882 7.3178 7.3178 7.5140 7.5140 7.5637 7.5637 7.7313 7.7313 7.9840 7.9840 8.0376 8.0376 10.0517 10.0517 10.0718 10.0718 10.6698 10.6698 10.7864 10.7864 k = 0.0000 0.4643 0.3172 ( 2992 PWs) bands (ev): -3.1505 -3.1505 -3.1155 -3.1155 2.7913 2.7913 2.8065 2.8065 5.5328 5.5328 5.5370 5.5370 5.9125 5.9125 6.0624 6.0624 7.3629 7.3629 7.5154 7.5154 7.5657 7.5657 7.6862 7.6862 7.9756 7.9756 8.0167 8.0167 10.0636 10.0636 10.0800 10.0800 10.6914 10.6914 10.7789 10.7789 k = 0.0000 0.4762 0.3172 ( 2990 PWs) bands (ev): -3.1384 -3.1384 -3.1150 -3.1150 2.7799 2.7799 2.7901 2.7901 5.5387 5.5387 5.5413 5.5413 5.9369 5.9369 6.0369 6.0369 7.4069 7.4069 7.5135 7.5135 7.5687 7.5687 7.6443 7.6443 7.9715 7.9715 7.9994 7.9994 10.0732 10.0732 10.0849 10.0849 10.7111 10.7111 10.7695 10.7695 k = 0.0000 0.4881 0.3172 ( 2990 PWs) bands (ev): -3.1288 -3.1288 -3.1171 -3.1171 2.7741 2.7741 2.7793 2.7793 5.5425 5.5425 5.5438 5.5438 5.9616 5.9616 6.0116 6.0116 7.4480 7.4480 7.5041 7.5041 7.5742 7.5742 7.6092 7.6092 7.9717 7.9717 7.9859 7.9859 10.0803 10.0803 10.0865 10.0865 10.7287 10.7287 10.7580 10.7580 k = 0.0000 0.5000 0.3172 ( 2996 PWs) bands (ev): -3.1217 -3.1217 -3.1217 -3.1217 2.7739 2.7739 2.7739 2.7739 5.5442 5.5442 5.5442 5.5442 5.9864 5.9864 5.9864 5.9864 7.4821 7.4821 7.4821 7.4821 7.5860 7.5860 7.5860 7.5860 7.9765 7.9765 7.9765 7.9765 10.0849 10.0849 10.0849 10.0849 10.7444 10.7444 10.7444 10.7444 k = 0.0000 0.5000 0.3172 ( 2996 PWs) bands (ev): -3.1217 -3.1217 -3.1217 -3.1217 2.7739 2.7739 2.7739 2.7739 5.5442 5.5442 5.5442 5.5442 5.9864 5.9864 5.9864 5.9864 7.4821 7.4821 7.4821 7.4821 7.5860 7.5860 7.5860 7.5860 7.9765 7.9765 7.9765 7.9765 10.0849 10.0849 10.0849 10.0849 10.7444 10.7444 10.7444 10.7444 k = 0.0119 0.5000 0.3172 ( 2988 PWs) bands (ev): -3.1210 -3.1210 -3.1209 -3.1209 2.7745 2.7745 2.7755 2.7755 5.5296 5.5296 5.5570 5.5570 5.9744 5.9744 5.9965 5.9965 7.4766 7.4766 7.4843 7.4843 7.5789 7.5789 7.5928 7.5928 7.9777 7.9777 7.9789 7.9789 10.0572 10.0572 10.0972 10.0972 10.7209 10.7209 10.7692 10.7692 k = 0.0238 0.5000 0.3172 ( 2984 PWs) bands (ev): -3.1188 -3.1188 -3.1185 -3.1185 2.7772 2.7772 2.7793 2.7793 5.5132 5.5132 5.5681 5.5681 5.9602 5.9602 6.0045 6.0045 7.4681 7.4681 7.4824 7.4824 7.5722 7.5722 7.5987 7.5987 7.9822 7.9822 7.9844 7.9844 10.0168 10.0168 10.0924 10.0924 10.7010 10.7010 10.7929 10.7929 k = 0.0357 0.5000 0.3172 ( 2996 PWs) bands (ev): -3.1151 -3.1151 -3.1147 -3.1147 2.7820 2.7820 2.7853 2.7853 5.4948 5.4948 5.5773 5.5773 5.9438 5.9438 6.0107 6.0107 7.4568 7.4568 7.4759 7.4759 7.5665 7.5665 7.6035 7.6035 7.9898 7.9898 7.9928 7.9928 9.9659 9.9659 10.0698 10.0698 10.6861 10.6861 10.8133 10.8133 k = 0.0476 0.5000 0.3172 ( 2992 PWs) bands (ev): -3.1099 -3.1099 -3.1094 -3.1094 2.7890 2.7890 2.7934 2.7934 5.4745 5.4745 5.5846 5.5846 5.9257 5.9257 6.0153 6.0153 7.4432 7.4432 7.4651 7.4651 7.5624 7.5624 7.6075 7.6075 8.0003 8.0003 8.0037 8.0037 9.9069 9.9069 10.0305 10.0305 10.6761 10.6761 10.8293 10.8293 k = 0.0595 0.5000 0.3172 ( 2992 PWs) bands (ev): -3.1032 -3.1032 -3.1027 -3.1027 2.7980 2.7980 2.8036 2.8036 5.4519 5.4519 5.5896 5.5896 5.9059 5.9059 6.0184 6.0184 7.4273 7.4273 7.4502 7.4502 7.5595 7.5595 7.6104 7.6104 8.0131 8.0131 8.0167 8.0167 9.8416 9.8416 9.9771 9.9771 10.6699 10.6699 10.8399 10.8399 k = 0.0714 0.5000 0.3172 ( 2988 PWs) bands (ev): -3.0951 -3.0951 -3.0945 -3.0945 2.8092 2.8092 2.8159 2.8159 5.4271 5.4271 5.5918 5.5918 5.8852 5.8852 6.0204 6.0204 7.4097 7.4097 7.4322 7.4322 7.5575 7.5575 7.6124 7.6124 8.0277 8.0277 8.0311 8.0311 9.7718 9.7718 9.9126 9.9126 10.6655 10.6655 10.8448 10.8448 k = 0.0833 0.5000 0.3172 ( 2984 PWs) bands (ev): -3.0856 -3.0856 -3.0848 -3.0848 2.8224 2.8224 2.8303 2.8303 5.3999 5.3999 5.5905 5.5905 5.8643 5.8643 6.0215 6.0215 7.3904 7.3904 7.4118 7.4118 7.5556 7.5556 7.6132 7.6132 8.0437 8.0437 8.0467 8.0467 9.6988 9.6988 9.8403 9.8403 10.6613 10.6613 10.8441 10.8441 k = 0.0952 0.5000 0.3172 ( 2988 PWs) bands (ev): -3.0747 -3.0747 -3.0738 -3.0738 2.8375 2.8375 2.8468 2.8468 5.3701 5.3701 5.5847 5.5847 5.8442 5.8442 6.0218 6.0218 7.3698 7.3698 7.3896 7.3896 7.5534 7.5534 7.6128 7.6128 8.0607 8.0607 8.0629 8.0629 9.6241 9.6241 9.7627 9.7627 10.6559 10.6559 10.8378 10.8378 k = 0.1071 0.5000 0.3172 ( 2988 PWs) bands (ev): -3.0625 -3.0625 -3.0615 -3.0615 2.8546 2.8546 2.8652 2.8652 5.3378 5.3378 5.5734 5.5734 5.8261 5.8261 6.0215 6.0215 7.3483 7.3483 7.3662 7.3662 7.5505 7.5505 7.6109 7.6109 8.0783 8.0783 8.0795 8.0795 9.5488 9.5488 9.6820 9.6820 10.6485 10.6485 10.8264 10.8264 k = 0.1190 0.5000 0.3172 ( 2984 PWs) bands (ev): -3.0489 -3.0489 -3.0478 -3.0478 2.8736 2.8736 2.8856 2.8856 5.3030 5.3030 5.5555 5.5555 5.8111 5.8111 6.0208 6.0208 7.3260 7.3260 7.3420 7.3420 7.5465 7.5465 7.6074 7.6074 8.0963 8.0963 8.0963 8.0963 9.4740 9.4740 9.6002 9.6002 10.6385 10.6385 10.8102 10.8102 k = 0.1310 0.5000 0.3172 ( 2988 PWs) bands (ev): -3.0341 -3.0341 -3.0329 -3.0329 2.8943 2.8943 2.9079 2.9079 5.2656 5.2656 5.5307 5.5307 5.7998 5.7998 6.0198 6.0198 7.3032 7.3032 7.3172 7.3172 7.5411 7.5411 7.6019 7.6019 8.1130 8.1130 8.1144 8.1144 9.4005 9.4005 9.5185 9.5185 10.6255 10.6255 10.7895 10.7895 k = 0.1429 0.5000 0.3172 ( 2996 PWs) bands (ev): -3.0181 -3.0181 -3.0168 -3.0168 2.9168 2.9168 2.9319 2.9319 5.2256 5.2256 5.4991 5.4991 5.7921 5.7921 6.0186 6.0186 7.2801 7.2801 7.2921 7.2921 7.5341 7.5341 7.5942 7.5942 8.1294 8.1294 8.1324 8.1324 9.3291 9.3291 9.4382 9.4382 10.6095 10.6095 10.7648 10.7648 k = 0.1548 0.5000 0.3172 ( 2988 PWs) bands (ev): -3.0009 -3.0009 -2.9996 -2.9996 2.9408 2.9408 2.9577 2.9577 5.1834 5.1834 5.4615 5.4615 5.7875 5.7875 6.0173 6.0173 7.2569 7.2569 7.2669 7.2669 7.5254 7.5254 7.5842 7.5842 8.1455 8.1455 8.1503 8.1503 9.2604 9.2604 9.3601 9.3601 10.5905 10.5905 10.7364 10.7364 k = 0.1667 0.5000 0.3172 ( 2992 PWs) bands (ev): -2.9827 -2.9827 -2.9812 -2.9812 2.9664 2.9664 2.9851 2.9851 5.1389 5.1389 5.4189 5.4189 5.7850 5.7850 6.0158 6.0158 7.2337 7.2337 7.2418 7.2418 7.5148 7.5148 7.5717 7.5717 8.1610 8.1610 8.1678 8.1678 9.1948 9.1948 9.2848 9.2848 10.5686 10.5686 10.7049 10.7049 k = 0.1786 0.5000 0.3172 ( 2996 PWs) bands (ev): -2.9635 -2.9635 -2.9619 -2.9619 2.9933 2.9933 3.0140 3.0140 5.0924 5.0924 5.3723 5.3723 5.7840 5.7840 6.0141 6.0141 7.2107 7.2107 7.2168 7.2168 7.5021 7.5021 7.5566 7.5566 8.1761 8.1761 8.1849 8.1849 9.1325 9.1325 9.2129 9.2129 10.5440 10.5440 10.6705 10.6705 k = 0.1905 0.5000 0.3172 ( 3004 PWs) bands (ev): -2.9433 -2.9433 -2.9417 -2.9417 3.0215 3.0215 3.0443 3.0443 5.0441 5.0441 5.3224 5.3224 5.7840 5.7840 6.0121 6.0121 7.1879 7.1879 7.1920 7.1920 7.4875 7.4875 7.5388 7.5388 8.1905 8.1905 8.2015 8.2015 9.0738 9.0738 9.1445 9.1445 10.5170 10.5170 10.6339 10.6339 k = 0.2024 0.5000 0.3172 ( 2992 PWs) bands (ev): -2.9223 -2.9223 -2.9207 -2.9207 3.0508 3.0508 3.0758 3.0758 4.9944 4.9944 5.2701 5.2701 5.7844 5.7844 6.0100 6.0100 7.1656 7.1656 7.1678 7.1678 7.4710 7.4710 7.5186 7.5186 8.2044 8.2044 8.2177 8.2177 9.0186 9.0186 9.0798 9.0798 10.4881 10.4881 10.5954 10.5954 k = 0.2143 0.5000 0.3172 ( 2984 PWs) bands (ev): -2.9006 -2.9006 -2.8989 -2.8989 3.0810 3.0810 3.1084 3.1084 4.9436 4.9436 5.2160 5.2160 5.7848 5.7848 6.0074 6.0074 7.1438 7.1438 7.1441 7.1441 7.4529 7.4529 7.4961 7.4961 8.2175 8.2175 8.2332 8.2332 8.9667 8.9667 9.0188 9.0188 10.4576 10.4576 10.5557 10.5557 k = 0.2262 0.5000 0.3172 ( 2984 PWs) bands (ev): -2.8782 -2.8782 -2.8765 -2.8765 3.1118 3.1118 3.1418 3.1418 4.8920 4.8920 5.1606 5.1606 5.7850 5.7850 6.0042 6.0042 7.1210 7.1210 7.1226 7.1226 7.4332 7.4332 7.4715 7.4715 8.2298 8.2298 8.2479 8.2479 8.9179 8.9179 8.9613 8.9613 10.4259 10.4259 10.5152 10.5152 k = 0.2381 0.5000 0.3172 ( 2992 PWs) bands (ev): -2.8553 -2.8553 -2.8535 -2.8535 3.1431 3.1431 3.1758 3.1758 4.8401 4.8401 5.1046 5.1046 5.7847 5.7847 6.0003 6.0003 7.0985 7.0985 7.1019 7.1019 7.4122 7.4122 7.4452 7.4452 8.2413 8.2413 8.2619 8.2619 8.8720 8.8720 8.9070 8.9070 10.3935 10.3935 10.4743 10.4743 k = 0.2500 0.5000 0.3172 ( 2992 PWs) bands (ev): -2.8320 -2.8320 -2.8301 -2.8301 3.1747 3.1747 3.2102 3.2102 4.7883 4.7883 5.0487 5.0487 5.7837 5.7837 5.9957 5.9957 7.0769 7.0769 7.0821 7.0821 7.3903 7.3903 7.4176 7.4176 8.2518 8.2518 8.2749 8.2749 8.8287 8.8287 8.8559 8.8559 10.3609 10.3609 10.4337 10.4337 k = 0.2619 0.5000 0.3172 ( 2984 PWs) bands (ev): -2.8083 -2.8083 -2.8065 -2.8065 3.2061 3.2061 3.2446 3.2446 4.7373 4.7373 4.9933 4.9933 5.7819 5.7819 5.9901 5.9901 7.0563 7.0563 7.0632 7.0632 7.3678 7.3678 7.3891 7.3891 8.2613 8.2613 8.2869 8.2869 8.7878 8.7878 8.8076 8.8076 10.3285 10.3285 10.3939 10.3939 k = 0.2738 0.5000 0.3172 ( 2984 PWs) bands (ev): -2.7845 -2.7845 -2.7826 -2.7826 3.2371 3.2371 3.2787 3.2787 4.6876 4.6876 4.9391 4.9391 5.7791 5.7791 5.9833 5.9833 7.0368 7.0368 7.0451 7.0451 7.3448 7.3448 7.3600 7.3600 8.2694 8.2694 8.2976 8.2976 8.7492 8.7492 8.7620 8.7620 10.2969 10.2969 10.3553 10.3553 k = 0.2857 0.5000 0.3172 ( 2984 PWs) bands (ev): -2.7606 -2.7606 -2.7587 -2.7587 3.2674 3.2674 3.3121 3.3121 4.6397 4.6397 4.8867 4.8867 5.7753 5.7753 5.9753 5.9753 7.0184 7.0184 7.0281 7.0281 7.3217 7.3217 7.3309 7.3309 8.2759 8.2759 8.3066 8.3066 8.7128 8.7128 8.7191 8.7191 10.2663 10.2663 10.3181 10.3181 k = 0.2976 0.5000 0.3172 ( 2984 PWs) bands (ev): -2.7368 -2.7368 -2.7349 -2.7349 3.2965 3.2965 3.3442 3.3442 4.5944 4.5944 4.8366 4.8366 5.7704 5.7704 5.9660 5.9660 7.0012 7.0012 7.0121 7.0121 7.2987 7.2987 7.3020 7.3020 8.2805 8.2805 8.3135 8.3135 8.6788 8.6788 8.6791 8.6791 10.2370 10.2370 10.2829 10.2829 k = 0.3095 0.5000 0.3172 ( 2980 PWs) bands (ev): -2.7132 -2.7132 -2.7114 -2.7114 3.3241 3.3241 3.3746 3.3746 4.5524 4.5524 4.7895 4.7895 5.7644 5.7644 5.9552 5.9552 6.9854 6.9854 6.9974 6.9974 7.2737 7.2737 7.2759 7.2759 8.2827 8.2827 8.3180 8.3180 8.6423 8.6423 8.6474 8.6474 10.2094 10.2094 10.2499 10.2499 k = 0.3214 0.5000 0.3172 ( 2980 PWs) bands (ev): -2.6900 -2.6900 -2.6882 -2.6882 3.3498 3.3498 3.4027 3.4027 4.5144 4.5144 4.7460 4.7460 5.7573 5.7573 5.9428 5.9428 6.9710 6.9710 6.9840 6.9840 7.2461 7.2461 7.2535 7.2535 8.2821 8.2821 8.3191 8.3191 8.6094 8.6094 8.6190 8.6190 10.1836 10.1836 10.2191 10.2191 k = 0.3333 0.5000 0.3172 ( 2980 PWs) bands (ev): -2.6673 -2.6673 -2.6656 -2.6656 3.3731 3.3731 3.4280 3.4280 4.4811 4.4811 4.7064 4.7064 5.7490 5.7490 5.9288 5.9288 6.9582 6.9582 6.9720 6.9720 7.2196 7.2196 7.2316 7.2316 8.2783 8.2783 8.3162 8.3162 8.5810 8.5810 8.5942 8.5942 10.1598 10.1598 10.1909 10.1909 k = 0.3452 0.5000 0.3172 ( 2980 PWs) bands (ev): -2.6453 -2.6453 -2.6436 -2.6436 3.3938 3.3938 3.4498 3.4498 4.4532 4.4532 4.6713 4.6713 5.7398 5.7398 5.9132 5.9132 6.9469 6.9469 6.9614 6.9614 7.1942 7.1942 7.2103 7.2103 8.2709 8.2709 8.3086 8.3086 8.5581 8.5581 8.5734 8.5734 10.1381 10.1381 10.1652 10.1652 k = 0.3571 0.5000 0.3172 ( 2984 PWs) bands (ev): -2.6241 -2.6241 -2.6225 -2.6225 3.4116 3.4116 3.4677 3.4677 4.4313 4.4313 4.6408 4.6408 5.7298 5.7298 5.8961 5.8961 6.9373 6.9373 6.9524 6.9524 7.1699 7.1699 7.1897 7.1897 8.2598 8.2598 8.2959 8.2959 8.5408 8.5408 8.5566 8.5566 10.1185 10.1185 10.1420 10.1420 k = 0.3690 0.5000 0.3172 ( 2976 PWs) bands (ev): -2.6039 -2.6039 -2.6024 -2.6024 3.4263 3.4263 3.4815 3.4815 4.4156 4.4156 4.6152 4.6152 5.7193 5.7193 5.8776 5.8776 6.9294 6.9294 6.9450 6.9450 7.1471 7.1471 7.1697 7.1697 8.2456 8.2456 8.2790 8.2790 8.5290 8.5290 8.5440 8.5440 10.1010 10.1010 10.1213 10.1213 k = 0.3810 0.5000 0.3172 ( 2976 PWs) bands (ev): -2.5848 -2.5848 -2.5834 -2.5834 3.4379 3.4379 3.4909 3.4909 4.4061 4.4061 4.5942 4.5942 5.7083 5.7083 5.8578 5.8578 6.9231 6.9231 6.9392 6.9392 7.1255 7.1255 7.1504 7.1504 8.2289 8.2289 8.2588 8.2588 8.5216 8.5216 8.5350 8.5350 10.0855 10.0855 10.1029 10.1029 k = 0.3929 0.5000 0.3172 ( 2976 PWs) bands (ev): -2.5670 -2.5670 -2.5657 -2.5657 3.4465 3.4465 3.4963 3.4963 4.4028 4.4028 4.5776 4.5776 5.6975 5.6975 5.8371 5.8371 6.9185 6.9185 6.9350 6.9350 7.1053 7.1053 7.1318 7.1318 8.2106 8.2106 8.2368 8.2368 8.5176 8.5176 8.5289 8.5289 10.0719 10.0719 10.0868 10.0868 k = 0.4048 0.5000 0.3172 ( 2984 PWs) bands (ev): -2.5507 -2.5507 -2.5494 -2.5494 3.4525 3.4525 3.4981 3.4981 4.4049 4.4049 4.5649 4.5649 5.6870 5.6870 5.8156 5.8156 6.9155 6.9155 6.9324 6.9324 7.0864 7.0864 7.1139 7.1139 8.1916 8.1916 8.2141 8.2141 8.5159 8.5159 8.5252 8.5252 10.0602 10.0602 10.0727 10.0727 k = 0.4167 0.5000 0.3172 ( 2980 PWs) bands (ev): -2.5358 -2.5358 -2.5347 -2.5347 3.4562 3.4562 3.4969 3.4969 4.4117 4.4117 4.5554 4.5554 5.6774 5.6774 5.7939 5.7939 6.9141 6.9141 6.9313 6.9313 7.0690 7.0690 7.0968 7.0968 8.1732 8.1732 8.1922 8.1922 8.5157 8.5157 8.5230 8.5230 10.0502 10.0502 10.0607 10.0607 k = 0.4286 0.5000 0.3172 ( 2972 PWs) bands (ev): -2.5227 -2.5227 -2.5217 -2.5217 3.4583 3.4583 3.4935 3.4935 4.4222 4.4222 4.5481 4.5481 5.6691 5.6691 5.7722 5.7722 6.9143 6.9143 6.9315 6.9315 7.0532 7.0532 7.0806 7.0806 8.1560 8.1560 8.1716 8.1716 8.5163 8.5163 8.5220 8.5220 10.0419 10.0419 10.0505 10.0505 k = 0.4405 0.5000 0.3172 ( 2972 PWs) bands (ev): -2.5114 -2.5114 -2.5105 -2.5105 3.4592 3.4592 3.4886 3.4886 4.4352 4.4352 4.5422 4.5422 5.6627 5.6627 5.7511 5.7511 6.9158 6.9158 6.9328 6.9328 7.0390 7.0390 7.0652 7.0652 8.1405 8.1405 8.1532 8.1532 8.5173 8.5173 8.5217 8.5217 10.0351 10.0351 10.0421 10.0421 k = 0.4524 0.5000 0.3172 ( 2964 PWs) bands (ev): -2.5019 -2.5019 -2.5013 -2.5013 3.4595 3.4595 3.4830 3.4830 4.4497 4.4497 4.5367 4.5367 5.6585 5.6585 5.7310 5.7310 6.9185 6.9185 6.9347 6.9347 7.0269 7.0269 7.0511 7.0511 8.1274 8.1274 8.1373 8.1373 8.5186 8.5186 8.5217 8.5217 10.0298 10.0298 10.0352 10.0352 k = 0.4643 0.5000 0.3172 ( 2956 PWs) bands (ev): -2.4945 -2.4945 -2.4940 -2.4940 3.4598 3.4598 3.4774 3.4774 4.4648 4.4648 4.5309 4.5309 5.6571 5.6571 5.7126 5.7126 6.9222 6.9222 6.9367 6.9367 7.0175 7.0175 7.0382 7.0382 8.1172 8.1172 8.1244 8.1244 8.5198 8.5198 8.5220 8.5220 10.0259 10.0259 10.0299 10.0299 k = 0.4762 0.5000 0.3172 ( 2960 PWs) bands (ev): -2.4891 -2.4891 -2.4887 -2.4887 3.4605 3.4605 3.4721 3.4721 4.4795 4.4795 4.5240 4.5240 5.6586 5.6586 5.6961 5.6961 6.9264 6.9264 6.9377 6.9377 7.0113 7.0113 7.0269 7.0269 8.1100 8.1100 8.1148 8.1148 8.5206 8.5206 8.5220 8.5220 10.0233 10.0233 10.0259 10.0259 k = 0.4881 0.5000 0.3172 ( 2968 PWs) bands (ev): -2.4858 -2.4858 -2.4856 -2.4856 3.4619 3.4619 3.4677 3.4677 4.4931 4.4931 4.5155 4.5155 5.6633 5.6633 5.6822 5.6822 6.9308 6.9308 6.9371 6.9371 7.0093 7.0093 7.0178 7.0178 8.1059 8.1059 8.1083 8.1083 8.5214 8.5214 8.5221 8.5221 10.0220 10.0220 10.0233 10.0233 k = 0.5000 0.5000 0.3172 ( 2968 PWs) bands (ev): -2.4846 -2.4846 -2.4846 -2.4846 3.4643 3.4643 3.4643 3.4643 4.5052 4.5052 4.5052 4.5052 5.6712 5.6712 5.6712 5.6712 6.9346 6.9346 6.9346 6.9346 7.0116 7.0116 7.0116 7.0116 8.1055 8.1055 8.1055 8.1055 8.5218 8.5218 8.5218 8.5218 10.0220 10.0220 10.0220 10.0220 k = 0.5000 0.5000 0.3172 ( 2968 PWs) bands (ev): -2.4846 -2.4846 -2.4846 -2.4846 3.4643 3.4643 3.4643 3.4643 4.5052 4.5052 4.5052 4.5052 5.6712 5.6712 5.6712 5.6712 6.9346 6.9346 6.9346 6.9346 7.0116 7.0116 7.0116 7.0116 8.1055 8.1055 8.1055 8.1055 8.5218 8.5218 8.5218 8.5218 10.0220 10.0220 10.0220 10.0220 k = 0.4917 0.4917 0.3172 ( 2972 PWs) bands (ev): -2.4858 -2.4858 -2.4855 -2.4855 3.4618 3.4618 3.4678 3.4678 4.4931 4.4931 4.5155 4.5155 5.6632 5.6632 5.6822 5.6822 6.9304 6.9304 6.9376 6.9376 7.0089 7.0089 7.0180 7.0180 8.1054 8.1054 8.1087 8.1087 8.5214 8.5214 8.5220 8.5220 10.0218 10.0218 10.0235 10.0235 k = 0.4833 0.4833 0.3172 ( 2964 PWs) bands (ev): -2.4893 -2.4893 -2.4884 -2.4884 3.4596 3.4596 3.4731 3.4731 4.4788 4.4788 4.5246 4.5246 5.6580 5.6580 5.6965 5.6965 6.9238 6.9238 6.9414 6.9414 7.0083 7.0083 7.0287 7.0287 8.1068 8.1068 8.1174 8.1174 8.5207 8.5207 8.5221 8.5221 10.0218 10.0218 10.0273 10.0273 k = 0.4750 0.4750 0.3172 ( 2960 PWs) bands (ev): -2.4950 -2.4950 -2.4931 -2.4931 3.4573 3.4573 3.4807 3.4807 4.4621 4.4621 4.5330 4.5330 5.6550 5.6550 5.7141 5.7141 6.9155 6.9155 6.9466 6.9466 7.0089 7.0089 7.0427 7.0427 8.1095 8.1095 8.1318 8.1318 8.5198 8.5198 8.5218 8.5218 10.0218 10.0218 10.0337 10.0337 k = 0.4667 0.4667 0.3172 ( 2964 PWs) bands (ev): -2.5031 -2.5031 -2.4997 -2.4997 3.4547 3.4547 3.4908 3.4908 4.4428 4.4428 4.5412 4.5412 5.6537 5.6537 5.7349 5.7349 6.9067 6.9067 6.9538 6.9538 7.0101 7.0101 7.0593 7.0593 8.1129 8.1129 8.1520 8.1520 8.5185 8.5185 8.5214 8.5214 10.0219 10.0219 10.0426 10.0426 k = 0.4583 0.4583 0.3172 ( 2976 PWs) bands (ev): -2.5134 -2.5134 -2.5081 -2.5081 3.4518 3.4518 3.5036 3.5036 4.4211 4.4211 4.5496 4.5496 5.6537 5.6537 5.7586 5.7586 6.8979 6.8979 6.9630 6.9630 7.0119 7.0119 7.0776 7.0776 8.1174 8.1174 8.1775 8.1775 8.5169 8.5169 8.5208 8.5208 10.0219 10.0219 10.0541 10.0541 k = 0.4500 0.4500 0.3172 ( 2980 PWs) bands (ev): -2.5259 -2.5259 -2.5184 -2.5184 3.4486 3.4486 3.5190 3.5190 4.3975 4.3975 4.5585 4.5585 5.6546 5.6546 5.7847 5.7847 6.8897 6.8897 6.9741 6.9741 7.0145 7.0145 7.0972 7.0972 8.1229 8.1229 8.2086 8.2086 8.5151 8.5151 8.5202 8.5202 10.0220 10.0220 10.0685 10.0685 k = 0.4417 0.4417 0.3172 ( 2984 PWs) bands (ev): -2.5406 -2.5406 -2.5304 -2.5304 3.4454 3.4454 3.5370 3.5370 4.3723 4.3723 4.5681 4.5681 5.6559 5.6559 5.8128 5.8128 6.8821 6.8821 6.9870 6.9870 7.0179 7.0179 7.1178 7.1178 8.1293 8.1293 8.2449 8.2449 8.5131 8.5131 8.5197 8.5197 10.0221 10.0221 10.0858 10.0858 k = 0.4333 0.4333 0.3172 ( 2988 PWs) bands (ev): -2.5574 -2.5574 -2.5441 -2.5441 3.4423 3.4423 3.5576 3.5576 4.3460 4.3460 4.5785 4.5785 5.6573 5.6573 5.8423 5.8423 6.8752 6.8752 7.0016 7.0016 7.0222 7.0222 7.1392 7.1392 8.1365 8.1365 8.2864 8.2864 8.5107 8.5107 8.5194 8.5194 10.0222 10.0222 10.1061 10.1061 k = 0.4250 0.4250 0.3172 ( 2988 PWs) bands (ev): -2.5762 -2.5762 -2.5595 -2.5595 3.4395 3.4395 3.5806 3.5806 4.3192 4.3192 4.5899 4.5899 5.6584 5.6584 5.8727 5.8727 6.8691 6.8691 7.0167 7.0167 7.0288 7.0288 7.1611 7.1611 8.1446 8.1446 8.3326 8.3326 8.5082 8.5082 8.5195 8.5195 10.0222 10.0222 10.1294 10.1294 k = 0.4167 0.4167 0.3172 ( 2988 PWs) bands (ev): -2.5971 -2.5971 -2.5766 -2.5766 3.4372 3.4372 3.6061 3.6061 4.2923 4.2923 4.6022 4.6022 5.6589 5.6589 5.9036 5.9036 6.8637 6.8637 7.0281 7.0281 7.0420 7.0420 7.1832 7.1832 8.1534 8.1534 8.3832 8.3832 8.5055 8.5055 8.5202 8.5202 10.0223 10.0223 10.1558 10.1558 k = 0.4083 0.4083 0.3172 ( 2992 PWs) bands (ev): -2.6199 -2.6199 -2.5951 -2.5951 3.4356 3.4356 3.6337 3.6337 4.2659 4.2659 4.6156 4.6156 5.6586 5.6586 5.9345 5.9345 6.8589 6.8589 7.0361 7.0361 7.0614 7.0614 7.2054 7.2054 8.1628 8.1628 8.4375 8.4375 8.5027 8.5027 8.5219 8.5219 10.0223 10.0223 10.1855 10.1855 k = 0.4000 0.4000 0.3172 ( 2988 PWs) bands (ev): -2.6445 -2.6445 -2.6152 -2.6152 3.4350 3.4350 3.6634 3.6634 4.2405 4.2405 4.6299 4.6299 5.6573 5.6573 5.9651 5.9651 6.8548 6.8548 7.0441 7.0441 7.0838 7.0838 7.2275 7.2275 8.1729 8.1729 8.4906 8.4906 8.5019 8.5019 8.5272 8.5272 10.0223 10.0223 10.2183 10.2183 k = 0.3917 0.3917 0.3172 ( 2984 PWs) bands (ev): -2.6709 -2.6709 -2.6367 -2.6367 3.4354 3.4354 3.6946 3.6946 4.2166 4.2166 4.6453 4.6453 5.6548 5.6548 5.9951 5.9951 6.8511 6.8511 7.0531 7.0531 7.1080 7.1080 7.2494 7.2494 8.1836 8.1836 8.4951 8.4951 8.5213 8.5213 8.5649 8.5649 10.0222 10.0222 10.2542 10.2542 k = 0.3833 0.3833 0.3172 ( 2986 PWs) bands (ev): -2.6990 -2.6990 -2.6596 -2.6596 3.4370 3.4370 3.7270 3.7270 4.1950 4.1950 4.6615 4.6615 5.6509 5.6509 6.0242 6.0242 6.8477 6.8477 7.0633 7.0633 7.1340 7.1340 7.2710 7.2710 8.1946 8.1946 8.4917 8.4917 8.5273 8.5273 8.6275 8.6275 10.0221 10.0221 10.2929 10.2929 k = 0.3750 0.3750 0.3172 ( 2990 PWs) bands (ev): -2.7287 -2.7287 -2.6837 -2.6837 3.4401 3.4401 3.7599 3.7599 4.1765 4.1765 4.6786 4.6786 5.6455 5.6455 6.0523 6.0523 6.8446 6.8446 7.0748 7.0748 7.1618 7.1618 7.2920 7.2920 8.2058 8.2058 8.4880 8.4880 8.5331 8.5331 8.6939 8.6939 10.0218 10.0218 10.3345 10.3345 k = 0.3667 0.3667 0.3172 ( 2982 PWs) bands (ev): -2.7598 -2.7598 -2.7089 -2.7089 3.4446 3.4446 3.7922 3.7922 4.1623 4.1623 4.6966 4.6966 5.6387 5.6387 6.0792 6.0792 6.8415 6.8415 7.0878 7.0878 7.1912 7.1912 7.3127 7.3127 8.2174 8.2174 8.4842 8.4842 8.5402 8.5402 8.7621 8.7621 10.0215 10.0215 10.3785 10.3785 k = 0.3583 0.3583 0.3172 ( 2984 PWs) bands (ev): -2.7923 -2.7923 -2.7353 -2.7353 3.4509 3.4509 3.8223 3.8223 4.1540 4.1540 4.7152 4.7152 5.6302 5.6302 6.1049 6.1049 6.8382 6.8382 7.1022 7.1022 7.2221 7.2221 7.3328 7.3328 8.2291 8.2291 8.4801 8.4801 8.5490 8.5490 8.8313 8.8313 10.0211 10.0211 10.4244 10.4244 k = 0.3500 0.3500 0.3172 ( 2980 PWs) bands (ev): -2.8261 -2.8261 -2.7627 -2.7627 3.4588 3.4588 3.8483 3.8483 4.1537 4.1537 4.7346 4.7346 5.6203 5.6203 6.1294 6.1294 6.8346 6.8346 7.1182 7.1182 7.2546 7.2546 7.3525 7.3525 8.2410 8.2410 8.4760 8.4760 8.5595 8.5595 8.9004 8.9004 10.0205 10.0205 10.4719 10.4719 k = 0.3417 0.3417 0.3172 ( 2984 PWs) bands (ev): -2.8610 -2.8610 -2.7910 -2.7910 3.4685 3.4685 3.8680 3.8680 4.1635 4.1635 4.7545 4.7545 5.6089 5.6089 6.1526 6.1526 6.8305 6.8305 7.1358 7.1358 7.2883 7.2883 7.3718 7.3718 8.2529 8.2529 8.4718 8.4718 8.5719 8.5719 8.9686 8.9686 10.0197 10.0197 10.5204 10.5204 k = 0.3333 0.3333 0.3172 ( 2988 PWs) bands (ev): -2.8969 -2.8969 -2.8200 -2.8200 3.4800 3.4800 3.8802 3.8802 4.1845 4.1845 4.7748 4.7748 5.5961 5.5961 6.1745 6.1745 6.8258 6.8258 7.1551 7.1551 7.3233 7.3233 7.3909 7.3909 8.2651 8.2651 8.4677 8.4677 8.5864 8.5864 9.0350 9.0350 10.0188 10.0188 10.5693 10.5693 k = 0.3250 0.3250 0.3172 ( 2988 PWs) bands (ev): -2.9338 -2.9338 -2.8499 -2.8499 3.4934 3.4934 3.8854 3.8854 4.2164 4.2164 4.7956 4.7956 5.5819 5.5819 6.1954 6.1954 6.8201 6.8201 7.1760 7.1760 7.3597 7.3597 7.4101 7.4101 8.2773 8.2773 8.4636 8.4636 8.6030 8.6030 9.0989 9.0989 10.0178 10.0178 10.6177 10.6177 k = 0.3167 0.3167 0.3172 ( 2996 PWs) bands (ev): -2.9714 -2.9714 -2.8803 -2.8803 3.5086 3.5086 3.8852 3.8852 4.2573 4.2573 4.8166 4.8166 5.5665 5.5665 6.2152 6.2152 6.8136 6.8136 7.1985 7.1985 7.3966 7.3966 7.4295 7.4295 8.2896 8.2896 8.4596 8.4596 8.6219 8.6219 9.1592 9.1592 10.0164 10.0164 10.6652 10.6652 k = 0.3083 0.3083 0.3172 ( 3008 PWs) bands (ev): -3.0097 -3.0097 -2.9112 -2.9112 3.5256 3.5256 3.8816 3.8816 4.3054 4.3054 4.8377 4.8377 5.5501 5.5501 6.2340 6.2340 6.8060 6.8060 7.2227 7.2227 7.4329 7.4329 7.4505 7.4505 8.3022 8.3022 8.4558 8.4558 8.6429 8.6429 9.2151 9.2151 10.0148 10.0148 10.7108 10.7108 k = 0.3000 0.3000 0.3172 ( 3010 PWs) bands (ev): -3.0486 -3.0486 -2.9426 -2.9426 3.5442 3.5442 3.8761 3.8761 4.3589 4.3589 4.8588 4.8588 5.5327 5.5327 6.2521 6.2521 6.7973 6.7973 7.2484 7.2484 7.4625 7.4625 7.4796 7.4796 8.3152 8.3152 8.4524 8.4524 8.6662 8.6662 9.2661 9.2661 10.0130 10.0130 10.7541 10.7541 k = 0.2917 0.2917 0.3172 ( 3010 PWs) bands (ev): -3.0879 -3.0879 -2.9743 -2.9743 3.5644 3.5644 3.8698 3.8698 4.4168 4.4168 4.8799 4.8799 5.5145 5.5145 6.2695 6.2695 6.7873 6.7873 7.2757 7.2757 7.4843 7.4843 7.5175 7.5175 8.3286 8.3286 8.4494 8.4494 8.6917 8.6917 9.3112 9.3112 10.0109 10.0109 10.7942 10.7942 k = 0.2833 0.2833 0.3172 ( 3002 PWs) bands (ev): -3.1275 -3.1275 -3.0063 -3.0063 3.5860 3.5860 3.8636 3.8636 4.4781 4.4781 4.9008 4.9008 5.4959 5.4959 6.2863 6.2863 6.7762 6.7762 7.3044 7.3044 7.5052 7.5052 7.5576 7.5576 8.3425 8.3425 8.4471 8.4471 8.7193 8.7193 9.3501 9.3501 10.0085 10.0085 10.8307 10.8307 k = 0.2750 0.2750 0.3172 ( 3006 PWs) bands (ev): -3.1673 -3.1673 -3.0384 -3.0384 3.6087 3.6087 3.8580 3.8580 4.5423 4.5423 4.9214 4.9214 5.4769 5.4769 6.3027 6.3027 6.7639 6.7639 7.3345 7.3345 7.5262 7.5262 7.5982 7.5982 8.3566 8.3566 8.4457 8.4457 8.7490 8.7490 9.3823 9.3823 10.0058 10.0058 10.8630 10.8630 k = 0.2667 0.2667 0.3172 ( 3002 PWs) bands (ev): -3.2072 -3.2072 -3.0705 -3.0705 3.6322 3.6322 3.8536 3.8536 4.6087 4.6087 4.9415 4.9415 5.4578 5.4578 6.3187 6.3187 6.7505 6.7505 7.3661 7.3661 7.5477 7.5477 7.6391 7.6391 8.3709 8.3709 8.4457 8.4457 8.7809 8.7809 9.4076 9.4076 10.0026 10.0026 10.8910 10.8910 k = 0.2583 0.2583 0.3172 ( 3004 PWs) bands (ev): -3.2470 -3.2470 -3.1026 -3.1026 3.6558 3.6558 3.8511 3.8511 4.6770 4.6770 4.9611 4.9611 5.4390 5.4390 6.3346 6.3346 6.7360 6.7360 7.3986 7.3986 7.5700 7.5700 7.6800 7.6800 8.3847 8.3847 8.4477 8.4477 8.8148 8.8148 9.4261 9.4261 9.9991 9.9991 10.9143 10.9143 k = 0.2500 0.2500 0.3172 ( 2996 PWs) bands (ev): -3.2867 -3.2867 -3.1346 -3.1346 3.6788 3.6788 3.8511 3.8511 4.7465 4.7465 4.9801 4.9801 5.4208 5.4208 6.3504 6.3504 6.7204 6.7204 7.4323 7.4323 7.5929 7.5929 7.7208 7.7208 8.3971 8.3971 8.4530 8.4530 8.8508 8.8508 9.4380 9.4380 9.9952 9.9952 10.9330 10.9330 k = 0.2417 0.2417 0.3172 ( 3000 PWs) bands (ev): -3.3261 -3.3261 -3.1664 -3.1664 3.6999 3.6999 3.8548 3.8548 4.8168 4.8168 4.9985 4.9985 5.4037 5.4037 6.3663 6.3663 6.7040 6.7040 7.4669 7.4669 7.6165 7.6165 7.7608 7.7608 8.4074 8.4074 8.4625 8.4625 8.8888 8.8888 9.4434 9.4434 9.9908 9.9908 10.9470 10.9470 k = 0.2333 0.2333 0.3172 ( 2996 PWs) bands (ev): -3.3651 -3.3651 -3.1978 -3.1978 3.7178 3.7178 3.8634 3.8634 4.8865 4.8865 5.0167 5.0167 5.3884 5.3884 6.3824 6.3824 6.6868 6.6868 7.5024 7.5024 7.6408 7.6408 7.7998 7.7998 8.4157 8.4157 8.4764 8.4764 8.9290 8.9290 9.4431 9.4431 9.9859 9.9859 10.9565 10.9565 k = 0.2250 0.2250 0.3172 ( 2996 PWs) bands (ev): -3.4037 -3.4037 -3.2289 -3.2289 3.7315 3.7315 3.8778 3.8778 4.9528 4.9528 5.0363 5.0363 5.3761 5.3761 6.3987 6.3987 6.6689 6.6689 7.5385 7.5385 7.6658 7.6658 7.8375 7.8375 8.4230 8.4230 8.4938 8.4938 8.9712 8.9712 9.4376 9.4376 9.9805 9.9805 10.9618 10.9618 k = 0.2167 0.2167 0.3172 ( 2996 PWs) bands (ev): -3.4417 -3.4417 -3.2595 -3.2595 3.7407 3.7407 3.8978 3.8978 5.0065 5.0065 5.0650 5.0650 5.3682 5.3682 6.4152 6.4152 6.6504 6.6504 7.5751 7.5751 7.6914 7.6914 7.8733 7.8733 8.4307 8.4307 8.5136 8.5136 9.0155 9.0155 9.4274 9.4274 9.9745 9.9745 10.9631 10.9631 k = 0.2083 0.2083 0.3172 ( 2996 PWs) bands (ev): -3.4791 -3.4791 -3.2896 -3.2896 3.7463 3.7463 3.9226 3.9226 5.0351 5.0351 5.1120 5.1120 5.3679 5.3679 6.4322 6.4322 6.6315 6.6315 7.6120 7.6120 7.7177 7.7177 7.9070 7.9070 8.4399 8.4399 8.5352 8.5352 9.0617 9.0617 9.4135 9.4135 9.9679 9.9679 10.9607 10.9607 k = 0.2000 0.2000 0.3172 ( 2988 PWs) bands (ev): -3.5157 -3.5157 -3.3190 -3.3190 3.7493 3.7493 3.9506 3.9506 5.0494 5.0494 5.1614 5.1614 5.3803 5.3803 6.4496 6.4496 6.6124 6.6124 7.6489 7.6489 7.7447 7.7447 7.9377 7.9377 8.4512 8.4512 8.5580 8.5580 9.1096 9.1096 9.3969 9.3969 9.9606 9.9606 10.9549 10.9549 k = 0.1917 0.1917 0.3172 ( 2990 PWs) bands (ev): -3.5514 -3.5514 -3.3478 -3.3478 3.7508 3.7508 3.9807 3.9807 5.0580 5.0580 5.1986 5.1986 5.4113 5.4113 6.4675 6.4675 6.5930 6.5930 7.6856 7.6856 7.7724 7.7724 7.9653 7.9653 8.4651 8.4651 8.5816 8.5816 9.1583 9.1583 9.3789 9.3789 9.9527 9.9527 10.9462 10.9462 k = 0.1833 0.1833 0.3172 ( 2990 PWs) bands (ev): -3.5862 -3.5862 -3.3759 -3.3759 3.7513 3.7513 4.0120 4.0120 5.0631 5.0631 5.2211 5.2211 5.4612 5.4612 6.4859 6.4859 6.5735 6.5735 7.7218 7.7218 7.8009 7.8009 7.9893 7.9893 8.4821 8.4821 8.6058 8.6058 9.2057 9.2057 9.3627 9.3627 9.9441 9.9441 10.9349 10.9349 k = 0.1750 0.1750 0.3172 ( 2986 PWs) bands (ev): -3.6200 -3.6200 -3.4031 -3.4031 3.7512 3.7512 4.0436 4.0436 5.0655 5.0655 5.2339 5.2339 5.5242 5.5242 6.5048 6.5048 6.5541 6.5541 7.7569 7.7569 7.8301 7.8301 8.0096 8.0096 8.5021 8.5021 8.6303 8.6303 9.2438 9.2438 9.3566 9.3566 9.9348 9.9348 10.9212 10.9212 k = 0.1667 0.1667 0.3172 ( 2982 PWs) bands (ev): -3.6528 -3.6528 -3.4294 -3.4294 3.7508 3.7508 4.0751 4.0751 5.0658 5.0658 5.2425 5.2425 5.5940 5.5940 6.5243 6.5243 6.5349 6.5349 7.7908 7.7908 7.8601 7.8601 8.0263 8.0263 8.5253 8.5253 8.6550 8.6550 9.2559 9.2559 9.3781 9.3781 9.9247 9.9247 10.9055 10.9055 k = 0.1583 0.1583 0.3172 ( 2976 PWs) bands (ev): -3.6843 -3.6843 -3.4548 -3.4548 3.7502 3.7502 4.1059 4.1059 5.0646 5.0646 5.2495 5.2495 5.6672 5.6672 6.5157 6.5157 6.5448 6.5448 7.8231 7.8231 7.8907 7.8907 8.0395 8.0395 8.5513 8.5513 8.6796 8.6796 9.2441 9.2441 9.4254 9.4254 9.9137 9.9137 10.8882 10.8882 k = 0.1500 0.1500 0.3172 ( 2980 PWs) bands (ev): -3.7147 -3.7147 -3.4793 -3.4793 3.7496 3.7496 4.1356 4.1356 5.0626 5.0626 5.2563 5.2563 5.7417 5.7417 6.4969 6.4969 6.5656 6.5656 7.8537 7.8537 7.9217 7.9217 8.0495 8.0495 8.5797 8.5797 8.7040 8.7040 9.2234 9.2234 9.4839 9.4839 9.9020 9.9020 10.8695 10.8695 k = 0.1417 0.1417 0.3172 ( 2980 PWs) bands (ev): -3.7438 -3.7438 -3.5027 -3.5027 3.7489 3.7489 4.1640 4.1640 5.0605 5.0605 5.2632 5.2632 5.8162 5.8162 6.4785 6.4785 6.5872 6.5872 7.8824 7.8824 7.9525 7.9525 8.0570 8.0570 8.6101 8.6101 8.7281 8.7281 9.2002 9.2002 9.5477 9.5477 9.8895 9.8895 10.8498 10.8498 k = 0.1333 0.1333 0.3172 ( 2982 PWs) bands (ev): -3.7715 -3.7715 -3.5250 -3.5250 3.7482 3.7482 4.1905 4.1905 5.0588 5.0588 5.2703 5.2703 5.8899 5.8899 6.4606 6.4606 6.6094 6.6094 7.9091 7.9091 7.9825 7.9825 8.0628 8.0628 8.6418 8.6418 8.7516 8.7516 9.1768 9.1768 9.6148 9.6148 9.8763 9.8763 10.8292 10.8292 k = 0.1250 0.1250 0.3172 ( 2986 PWs) bands (ev): -3.7978 -3.7978 -3.5462 -3.5462 3.7475 3.7475 4.2150 4.2150 5.0579 5.0579 5.2776 5.2776 5.9620 5.9620 6.4433 6.4433 6.6324 6.6324 7.9337 7.9337 8.0106 8.0106 8.0680 8.0680 8.6743 8.6743 8.7747 8.7747 9.1541 9.1541 9.6841 9.6841 9.8623 9.8623 10.8083 10.8083 k = 0.1167 0.1167 0.3172 ( 2986 PWs) bands (ev): -3.8227 -3.8227 -3.5662 -3.5662 3.7469 3.7469 4.2373 4.2373 5.0581 5.0581 5.2851 5.2851 6.0318 6.0318 6.4265 6.4265 6.6562 6.6562 7.9557 7.9557 8.0349 8.0349 8.0749 8.0749 8.7071 8.7071 8.7970 8.7970 9.1330 9.1330 9.7547 9.7547 9.8482 9.8482 10.7873 10.7873 k = 0.1083 0.1083 0.3172 ( 2990 PWs) bands (ev): -3.8460 -3.8460 -3.5850 -3.5850 3.7463 3.7463 4.2572 4.2572 5.0594 5.0594 5.2927 5.2927 6.0988 6.0988 6.4105 6.4105 6.6809 6.6809 7.9741 7.9741 8.0525 8.0525 8.0873 8.0873 8.7394 8.7394 8.8188 8.8188 9.1139 9.1139 9.8172 9.8172 9.8425 9.8425 10.7665 10.7665 k = 0.1000 0.1000 0.3172 ( 2994 PWs) bands (ev): -3.8678 -3.8678 -3.6025 -3.6025 3.7458 3.7458 4.2748 4.2748 5.0619 5.0619 5.3003 5.3003 6.1623 6.1623 6.3952 6.3952 6.7064 6.7064 7.9877 7.9877 8.0644 8.0644 8.1053 8.1053 8.7706 8.7706 8.8399 8.8399 9.0975 9.0975 9.8125 9.8125 9.9041 9.9041 10.7463 10.7463 k = 0.0917 0.0917 0.3172 ( 3002 PWs) bands (ev): -3.8880 -3.8880 -3.6188 -3.6188 3.7452 3.7452 4.2899 4.2899 5.0654 5.0654 5.3079 5.3079 6.2216 6.2216 6.3807 6.3807 6.7327 6.7327 7.9955 7.9955 8.0760 8.0760 8.1246 8.1246 8.7999 8.7999 8.8606 8.8606 9.0839 9.0839 9.7965 9.7965 9.9761 9.9761 10.7272 10.7272 k = 0.0833 0.0833 0.3172 ( 3002 PWs) bands (ev): -3.9066 -3.9066 -3.6337 -3.6337 3.7447 3.7447 4.3028 4.3028 5.0699 5.0699 5.3154 5.3154 6.2762 6.2762 6.3674 6.3674 6.7598 6.7598 7.9978 7.9978 8.0894 8.0894 8.1426 8.1426 8.8266 8.8266 8.8808 8.8808 9.0739 9.0739 9.7795 9.7795 10.0476 10.0476 10.7098 10.7098 k = 0.0750 0.0750 0.3172 ( 2998 PWs) bands (ev): -3.9235 -3.9235 -3.6473 -3.6473 3.7443 3.7443 4.3135 4.3135 5.0749 5.0749 5.3229 5.3229 6.3248 6.3248 6.3560 6.3560 6.7874 6.7874 7.9962 7.9962 8.1041 8.1041 8.1585 8.1585 8.8500 8.8500 8.9005 8.9005 9.0676 9.0676 9.7622 9.7622 10.1168 10.1168 10.6947 10.6947 k = 0.0667 0.0667 0.3172 ( 2994 PWs) bands (ev): -3.9387 -3.9387 -3.6596 -3.6596 3.7440 3.7440 4.3223 4.3223 5.0804 5.0804 5.3302 5.3302 6.3412 6.3412 6.3723 6.3723 6.8152 6.8152 7.9921 7.9921 8.1191 8.1191 8.1718 8.1718 8.8698 8.8698 8.9189 8.9189 9.0657 9.0657 9.7448 9.7448 10.1824 10.1824 10.6827 10.6827 k = 0.0583 0.0583 0.3172 ( 2998 PWs) bands (ev): -3.9522 -3.9522 -3.6704 -3.6704 3.7436 3.7436 4.3294 4.3294 5.0858 5.0858 5.3371 5.3371 6.3319 6.3319 6.4099 6.4099 6.8428 6.8428 7.9865 7.9865 8.1336 8.1336 8.1826 8.1826 8.8862 8.8862 8.9349 8.9349 9.0682 9.0682 9.7277 9.7277 10.2423 10.2423 10.6746 10.6746 k = 0.0500 0.0500 0.3172 ( 3002 PWs) bands (ev): -3.9639 -3.9639 -3.6799 -3.6799 3.7433 3.7433 4.3349 4.3349 5.0910 5.0910 5.3435 5.3435 6.3229 6.3229 6.4426 6.4426 6.8692 6.8692 7.9803 7.9803 8.1470 8.1470 8.1910 8.1910 8.8997 8.8997 8.9477 8.9477 9.0749 9.0749 9.7113 9.7113 10.2946 10.2946 10.6715 10.6715 k = 0.0417 0.0417 0.3172 ( 3006 PWs) bands (ev): -3.9739 -3.9739 -3.6879 -3.6879 3.7431 3.7431 4.3392 4.3392 5.0958 5.0958 5.3494 5.3494 6.3151 6.3151 6.4699 6.4699 6.8938 6.8938 7.9739 7.9739 8.1592 8.1592 8.1972 8.1972 8.9105 8.9105 8.9573 8.9573 9.0846 9.0846 9.6961 9.6961 10.3375 10.3375 10.6740 10.6740 k = 0.0333 0.0333 0.3172 ( 3012 PWs) bands (ev): -3.9821 -3.9821 -3.6945 -3.6945 3.7429 3.7429 4.3424 4.3424 5.1000 5.1000 5.3545 5.3545 6.3084 6.3084 6.4918 6.4918 6.9156 6.9156 7.9680 7.9680 8.1697 8.1697 8.2013 8.2013 8.9190 8.9190 8.9640 8.9640 9.0957 9.0957 9.6825 9.6825 10.3699 10.3699 10.6816 10.6816 k = 0.0250 0.0250 0.3172 ( 3012 PWs) bands (ev): -3.9884 -3.9884 -3.6996 -3.6996 3.7427 3.7427 4.3447 4.3447 5.1033 5.1033 5.3587 5.3587 6.3032 6.3032 6.5085 6.5085 6.9336 6.9336 7.9629 7.9629 8.1786 8.1786 8.2038 8.2038 8.9255 8.9255 8.9687 8.9687 9.1065 9.1065 9.6711 9.6711 10.3921 10.3921 10.6926 10.6926 k = 0.0167 0.0167 0.3172 ( 3016 PWs) bands (ev): -3.9930 -3.9930 -3.7033 -3.7033 3.7426 3.7426 4.3463 4.3463 5.1058 5.1058 5.3618 5.3618 6.2995 6.2995 6.5203 6.5203 6.9471 6.9471 7.9589 7.9589 8.1856 8.1856 8.2048 8.2048 8.9300 8.9300 8.9717 8.9717 9.1152 9.1152 9.6624 9.6624 10.4059 10.4059 10.7039 10.7039 k = 0.0083 0.0083 0.3172 ( 3016 PWs) bands (ev): -3.9957 -3.9957 -3.7055 -3.7055 3.7425 3.7425 4.3472 4.3472 5.1073 5.1073 5.3637 5.3637 6.2972 6.2972 6.5273 6.5273 6.9556 6.9556 7.9564 7.9564 8.1903 8.1903 8.2048 8.2048 8.9327 8.9327 8.9734 8.9734 9.1209 9.1209 9.6570 9.6570 10.4132 10.4132 10.7122 10.7122 k = 0.0000 0.0000 0.3172 ( 3024 PWs) bands (ev): -3.9966 -3.9966 -3.7062 -3.7062 3.7425 3.7425 4.3474 4.3474 5.1079 5.1079 5.3643 5.3643 6.2963 6.2963 6.5296 6.5296 6.9584 6.9584 7.9556 7.9556 8.1921 8.1921 8.2045 8.2045 8.9335 8.9335 8.9739 8.9739 9.1229 9.1229 9.6552 9.6552 10.4154 10.4154 10.7153 10.7153 k = 0.0000 0.5000-0.0000 ( 3000 PWs) bands (ev): -3.1624 -3.1624 -3.1624 -3.1624 3.4982 3.4982 3.4982 3.4982 4.7227 4.7227 4.7227 4.7227 5.9679 5.9679 5.9679 5.9679 7.5132 7.5132 7.5132 7.5132 7.7020 7.7020 7.7020 7.7020 7.9909 7.9909 7.9909 7.9909 9.1121 9.1121 9.1121 9.1121 10.5785 10.5785 10.5785 10.5785 k = 0.0000 0.5000 0.0117 ( 3008 PWs) bands (ev): -3.1622 -3.1622 -3.1622 -3.1622 3.4941 3.4941 3.4941 3.4941 4.7272 4.7272 4.7272 4.7272 5.9679 5.9679 5.9679 5.9679 7.5131 7.5131 7.5131 7.5131 7.7016 7.7016 7.7016 7.7016 7.9908 7.9908 7.9908 7.9908 9.1144 9.1144 9.1144 9.1144 10.5790 10.5790 10.5790 10.5790 k = 0.0000 0.5000 0.0235 ( 3004 PWs) bands (ev): -3.1618 -3.1618 -3.1618 -3.1618 3.4821 3.4821 3.4821 3.4821 4.7404 4.7404 4.7404 4.7404 5.9679 5.9679 5.9679 5.9679 7.5130 7.5130 7.5130 7.5130 7.7003 7.7003 7.7003 7.7003 7.9905 7.9905 7.9905 7.9905 9.1217 9.1217 9.1217 9.1217 10.5804 10.5804 10.5804 10.5804 k = 0.0000 0.5000 0.0352 ( 2996 PWs) bands (ev): -3.1612 -3.1612 -3.1612 -3.1612 3.4627 3.4627 3.4627 3.4627 4.7618 4.7618 4.7618 4.7618 5.9680 5.9680 5.9680 5.9680 7.5126 7.5126 7.5126 7.5126 7.6982 7.6982 7.6982 7.6982 7.9902 7.9902 7.9902 7.9902 9.1338 9.1338 9.1338 9.1338 10.5827 10.5827 10.5827 10.5827 k = 0.0000 0.5000 0.0470 ( 2996 PWs) bands (ev): -3.1603 -3.1603 -3.1603 -3.1603 3.4370 3.4370 3.4370 3.4370 4.7902 4.7902 4.7902 4.7902 5.9681 5.9681 5.9681 5.9681 7.5122 7.5122 7.5122 7.5122 7.6952 7.6952 7.6952 7.6952 7.9897 7.9897 7.9897 7.9897 9.1505 9.1505 9.1505 9.1505 10.5858 10.5858 10.5858 10.5858 k = 0.0000 0.5000 0.0587 ( 2994 PWs) bands (ev): -3.1591 -3.1591 -3.1591 -3.1591 3.4060 3.4060 3.4060 3.4060 4.8246 4.8246 4.8246 4.8246 5.9682 5.9682 5.9682 5.9682 7.5116 7.5116 7.5116 7.5116 7.6916 7.6916 7.6916 7.6916 7.9891 7.9891 7.9891 7.9891 9.1719 9.1719 9.1719 9.1719 10.5898 10.5898 10.5898 10.5898 k = 0.0000 0.5000 0.0705 ( 2994 PWs) bands (ev): -3.1577 -3.1577 -3.1577 -3.1577 3.3708 3.3708 3.3708 3.3708 4.8638 4.8638 4.8638 4.8638 5.9684 5.9684 5.9684 5.9684 7.5108 7.5108 7.5108 7.5108 7.6872 7.6872 7.6872 7.6872 7.9884 7.9884 7.9884 7.9884 9.1978 9.1978 9.1978 9.1978 10.5946 10.5946 10.5946 10.5946 k = 0.0000 0.5000 0.0822 ( 3002 PWs) bands (ev): -3.1561 -3.1561 -3.1561 -3.1561 3.3325 3.3325 3.3325 3.3325 4.9066 4.9066 4.9066 4.9066 5.9685 5.9685 5.9685 5.9685 7.5099 7.5099 7.5099 7.5099 7.6822 7.6822 7.6822 7.6822 7.9876 7.9876 7.9876 7.9876 9.2281 9.2281 9.2281 9.2281 10.6001 10.6001 10.6001 10.6001 k = 0.0000 0.5000 0.0940 ( 3004 PWs) bands (ev): -3.1543 -3.1543 -3.1543 -3.1543 3.2921 3.2921 3.2921 3.2921 4.9521 4.9521 4.9521 4.9521 5.9688 5.9688 5.9688 5.9688 7.5089 7.5089 7.5089 7.5089 7.6766 7.6766 7.6766 7.6766 7.9867 7.9867 7.9867 7.9867 9.2626 9.2626 9.2626 9.2626 10.6064 10.6064 10.6064 10.6064 k = 0.0000 0.5000 0.1057 ( 2996 PWs) bands (ev): -3.1524 -3.1524 -3.1524 -3.1524 3.2504 3.2504 3.2504 3.2504 4.9992 4.9992 4.9992 4.9992 5.9692 5.9692 5.9692 5.9692 7.5078 7.5078 7.5078 7.5078 7.6706 7.6706 7.6706 7.6706 7.9859 7.9859 7.9859 7.9859 9.3011 9.3011 9.3011 9.3011 10.6133 10.6133 10.6133 10.6133 k = 0.0000 0.5000 0.1175 ( 3000 PWs) bands (ev): -3.1503 -3.1503 -3.1503 -3.1503 3.2082 3.2082 3.2082 3.2082 5.0471 5.0471 5.0471 5.0471 5.9696 5.9696 5.9696 5.9696 7.5066 7.5066 7.5066 7.5066 7.6643 7.6643 7.6643 7.6643 7.9850 7.9850 7.9850 7.9850 9.3433 9.3433 9.3433 9.3433 10.6207 10.6207 10.6207 10.6207 k = 0.0000 0.5000 0.1292 ( 3002 PWs) bands (ev): -3.1481 -3.1481 -3.1481 -3.1481 3.1660 3.1660 3.1660 3.1660 5.0952 5.0952 5.0952 5.0952 5.9701 5.9701 5.9701 5.9701 7.5052 7.5052 7.5052 7.5052 7.6576 7.6576 7.6576 7.6576 7.9842 7.9842 7.9842 7.9842 9.3890 9.3890 9.3890 9.3890 10.6286 10.6286 10.6286 10.6286 k = 0.0000 0.5000 0.1410 ( 3002 PWs) bands (ev): -3.1458 -3.1458 -3.1458 -3.1458 3.1244 3.1244 3.1244 3.1244 5.1428 5.1428 5.1428 5.1428 5.9707 5.9707 5.9707 5.9707 7.5038 7.5038 7.5038 7.5038 7.6508 7.6508 7.6508 7.6508 7.9833 7.9833 7.9833 7.9833 9.4378 9.4378 9.4378 9.4378 10.6370 10.6370 10.6370 10.6370 k = 0.0000 0.5000 0.1527 ( 3008 PWs) bands (ev): -3.1434 -3.1434 -3.1434 -3.1434 3.0839 3.0839 3.0839 3.0839 5.1892 5.1892 5.1892 5.1892 5.9714 5.9714 5.9714 5.9714 7.5022 7.5022 7.5022 7.5022 7.6439 7.6439 7.6439 7.6439 7.9824 7.9824 7.9824 7.9824 9.4894 9.4894 9.4894 9.4894 10.6457 10.6457 10.6457 10.6457 k = 0.0000 0.5000 0.1645 ( 3004 PWs) bands (ev): -3.1411 -3.1411 -3.1411 -3.1411 3.0448 3.0448 3.0448 3.0448 5.2342 5.2342 5.2342 5.2342 5.9722 5.9722 5.9722 5.9722 7.5005 7.5005 7.5005 7.5005 7.6371 7.6371 7.6371 7.6371 7.9816 7.9816 7.9816 7.9816 9.5433 9.5433 9.5433 9.5433 10.6546 10.6546 10.6546 10.6546 k = 0.0000 0.5000 0.1762 ( 3008 PWs) bands (ev): -3.1387 -3.1387 -3.1387 -3.1387 3.0076 3.0076 3.0076 3.0076 5.2771 5.2771 5.2771 5.2771 5.9732 5.9732 5.9732 5.9732 7.4988 7.4988 7.4988 7.4988 7.6304 7.6304 7.6304 7.6304 7.9809 7.9809 7.9809 7.9809 9.5989 9.5989 9.5989 9.5989 10.6637 10.6637 10.6637 10.6637 k = 0.0000 0.5000 0.1880 ( 2996 PWs) bands (ev): -3.1364 -3.1364 -3.1364 -3.1364 2.9724 2.9724 2.9724 2.9724 5.3177 5.3177 5.3177 5.3177 5.9743 5.9743 5.9743 5.9743 7.4970 7.4970 7.4970 7.4970 7.6240 7.6240 7.6240 7.6240 7.9802 7.9802 7.9802 7.9802 9.6557 9.6557 9.6557 9.6557 10.6729 10.6729 10.6729 10.6729 k = 0.0000 0.5000 0.1997 ( 2984 PWs) bands (ev): -3.1341 -3.1341 -3.1341 -3.1341 2.9395 2.9395 2.9395 2.9395 5.3556 5.3556 5.3556 5.3556 5.9756 5.9756 5.9756 5.9756 7.4952 7.4952 7.4952 7.4952 7.6179 7.6179 7.6179 7.6179 7.9797 7.9797 7.9797 7.9797 9.7129 9.7129 9.7129 9.7129 10.6820 10.6820 10.6820 10.6820 k = 0.0000 0.5000 0.2115 ( 2988 PWs) bands (ev): -3.1320 -3.1320 -3.1320 -3.1320 2.9092 2.9092 2.9092 2.9092 5.3904 5.3904 5.3904 5.3904 5.9769 5.9769 5.9769 5.9769 7.4933 7.4933 7.4933 7.4933 7.6121 7.6121 7.6121 7.6121 7.9791 7.9791 7.9791 7.9791 9.7697 9.7697 9.7697 9.7697 10.6911 10.6911 10.6911 10.6911 k = 0.0000 0.5000 0.2232 ( 2992 PWs) bands (ev): -3.1300 -3.1300 -3.1300 -3.1300 2.8816 2.8816 2.8816 2.8816 5.4221 5.4221 5.4221 5.4221 5.9783 5.9783 5.9783 5.9783 7.4914 7.4914 7.4914 7.4914 7.6068 7.6068 7.6068 7.6068 7.9785 7.9785 7.9785 7.9785 9.8251 9.8251 9.8251 9.8251 10.7000 10.7000 10.7000 10.7000 k = 0.0000 0.5000 0.2350 ( 2984 PWs) bands (ev): -3.1282 -3.1282 -3.1282 -3.1282 2.8569 2.8569 2.8569 2.8569 5.4504 5.4504 5.4504 5.4504 5.9798 5.9798 5.9798 5.9798 7.4896 7.4896 7.4896 7.4896 7.6021 7.6021 7.6021 7.6021 7.9781 7.9781 7.9781 7.9781 9.8781 9.8781 9.8781 9.8781 10.7086 10.7086 10.7086 10.7086 k = 0.0000 0.5000 0.2467 ( 2992 PWs) bands (ev): -3.1265 -3.1265 -3.1265 -3.1265 2.8352 2.8352 2.8352 2.8352 5.4751 5.4751 5.4751 5.4751 5.9812 5.9812 5.9812 5.9812 7.4878 7.4878 7.4878 7.4878 7.5978 7.5978 7.5978 7.5978 7.9777 7.9777 7.9777 7.9777 9.9275 9.9275 9.9275 9.9275 10.7167 10.7167 10.7167 10.7167 k = 0.0000 0.5000 0.2585 ( 2992 PWs) bands (ev): -3.1251 -3.1251 -3.1251 -3.1251 2.8167 2.8167 2.8167 2.8167 5.4961 5.4961 5.4961 5.4961 5.9826 5.9826 5.9826 5.9826 7.4863 7.4863 7.4863 7.4863 7.5942 7.5942 7.5942 7.5942 7.9773 7.9773 7.9773 7.9773 9.9722 9.9722 9.9722 9.9722 10.7242 10.7242 10.7242 10.7242 k = 0.0000 0.5000 0.2702 ( 2998 PWs) bands (ev): -3.1239 -3.1239 -3.1239 -3.1239 2.8014 2.8014 2.8014 2.8014 5.5133 5.5133 5.5133 5.5133 5.9839 5.9839 5.9839 5.9839 7.4848 7.4848 7.4848 7.4848 7.5913 7.5913 7.5913 7.5913 7.9770 7.9770 7.9770 7.9770 10.0109 10.0109 10.0109 10.0109 10.7309 10.7309 10.7309 10.7309 k = 0.0000 0.5000 0.2820 ( 2984 PWs) bands (ev): -3.1229 -3.1229 -3.1229 -3.1229 2.7894 2.7894 2.7894 2.7894 5.5268 5.5268 5.5268 5.5268 5.9850 5.9850 5.9850 5.9850 7.4837 7.4837 7.4837 7.4837 7.5890 7.5890 7.5890 7.5890 7.9769 7.9769 7.9769 7.9769 10.0424 10.0424 10.0424 10.0424 10.7365 10.7365 10.7365 10.7365 k = 0.0000 0.5000 0.2937 ( 2988 PWs) bands (ev): -3.1222 -3.1222 -3.1222 -3.1222 2.7808 2.7808 2.7808 2.7808 5.5365 5.5365 5.5365 5.5365 5.9858 5.9858 5.9858 5.9858 7.4829 7.4829 7.4829 7.4829 7.5874 7.5874 7.5874 7.5874 7.9767 7.9767 7.9767 7.9767 10.0657 10.0657 10.0657 10.0657 10.7408 10.7408 10.7408 10.7408 k = 0.0000 0.5000 0.3055 ( 2988 PWs) bands (ev): -3.1218 -3.1218 -3.1218 -3.1218 2.7756 2.7756 2.7756 2.7756 5.5422 5.5422 5.5422 5.5422 5.9863 5.9863 5.9863 5.9863 7.4824 7.4824 7.4824 7.4824 7.5864 7.5864 7.5864 7.5864 7.9766 7.9766 7.9766 7.9766 10.0800 10.0800 10.0800 10.0800 10.7435 10.7435 10.7435 10.7435 k = 0.0000 0.5000 0.3172 ( 2996 PWs) bands (ev): -3.1217 -3.1217 -3.1217 -3.1217 2.7739 2.7739 2.7739 2.7739 5.5442 5.5442 5.5442 5.5442 5.9864 5.9864 5.9864 5.9864 7.4821 7.4821 7.4821 7.4821 7.5860 7.5860 7.5860 7.5860 7.9765 7.9765 7.9765 7.9765 10.0849 10.0849 10.0849 10.0849 10.7444 10.7444 10.7444 10.7444 k = 0.5000 0.5000-0.0000 ( 3004 PWs) bands (ev): -2.4891 -2.4891 -2.4891 -2.4891 2.9567 2.9567 2.9567 2.9567 5.4437 5.4437 5.4437 5.4437 5.8582 5.8582 5.8582 5.8582 6.7531 6.7531 6.7531 6.7531 7.1605 7.1605 7.1605 7.1605 8.2636 8.2636 8.2636 8.2636 8.5221 8.5221 8.5221 8.5221 9.5638 9.5638 9.5638 9.5638 k = 0.5000 0.5000 0.0117 ( 3012 PWs) bands (ev): -2.4891 -2.4891 -2.4891 -2.4891 2.9578 2.9578 2.9578 2.9578 5.4415 5.4415 5.4415 5.4415 5.8564 5.8564 5.8564 5.8564 6.7542 6.7542 6.7542 6.7542 7.1599 7.1599 7.1599 7.1599 8.2626 8.2626 8.2626 8.2626 8.5220 8.5220 8.5220 8.5220 9.5661 9.5661 9.5661 9.5661 k = 0.5000 0.5000 0.0235 ( 3004 PWs) bands (ev): -2.4890 -2.4890 -2.4890 -2.4890 2.9613 2.9613 2.9613 2.9613 5.4349 5.4349 5.4349 5.4349 5.8512 5.8512 5.8512 5.8512 6.7577 6.7577 6.7577 6.7577 7.1582 7.1582 7.1582 7.1582 8.2600 8.2600 8.2600 8.2600 8.5221 8.5221 8.5221 8.5221 9.5730 9.5730 9.5730 9.5730 k = 0.5000 0.5000 0.0352 ( 3000 PWs) bands (ev): -2.4890 -2.4890 -2.4890 -2.4890 2.9670 2.9670 2.9670 2.9670 5.4237 5.4237 5.4237 5.4237 5.8431 5.8431 5.8431 5.8431 6.7633 6.7633 6.7633 6.7633 7.1553 7.1553 7.1553 7.1553 8.2556 8.2556 8.2556 8.2556 8.5221 8.5221 8.5221 8.5221 9.5842 9.5842 9.5842 9.5842 k = 0.5000 0.5000 0.0470 ( 3000 PWs) bands (ev): -2.4889 -2.4889 -2.4889 -2.4889 2.9749 2.9749 2.9749 2.9749 5.4079 5.4079 5.4079 5.4079 5.8327 5.8327 5.8327 5.8327 6.7707 6.7707 6.7707 6.7707 7.1514 7.1514 7.1514 7.1514 8.2498 8.2498 8.2498 8.2498 8.5220 8.5220 8.5220 8.5220 9.5992 9.5992 9.5992 9.5992 k = 0.5000 0.5000 0.0587 ( 2992 PWs) bands (ev): -2.4887 -2.4887 -2.4887 -2.4887 2.9851 2.9851 2.9851 2.9851 5.3872 5.3872 5.3872 5.3872 5.8206 5.8206 5.8206 5.8206 6.7796 6.7796 6.7796 6.7796 7.1466 7.1466 7.1466 7.1466 8.2427 8.2427 8.2427 8.2427 8.5220 8.5220 8.5220 8.5220 9.6178 9.6178 9.6178 9.6178 k = 0.5000 0.5000 0.0705 ( 2976 PWs) bands (ev): -2.4886 -2.4886 -2.4886 -2.4886 2.9975 2.9975 2.9975 2.9975 5.3615 5.3615 5.3615 5.3615 5.8075 5.8075 5.8075 5.8075 6.7896 6.7896 6.7896 6.7896 7.1409 7.1409 7.1409 7.1409 8.2346 8.2346 8.2346 8.2346 8.5222 8.5222 8.5222 8.5222 9.6393 9.6393 9.6393 9.6393 k = 0.5000 0.5000 0.0822 ( 2976 PWs) bands (ev): -2.4884 -2.4884 -2.4884 -2.4884 3.0120 3.0120 3.0120 3.0120 5.3309 5.3309 5.3309 5.3309 5.7942 5.7942 5.7942 5.7942 6.8004 6.8004 6.8004 6.8004 7.1343 7.1343 7.1343 7.1343 8.2257 8.2257 8.2257 8.2257 8.5222 8.5222 8.5222 8.5222 9.6631 9.6631 9.6631 9.6631 k = 0.5000 0.5000 0.0940 ( 2976 PWs) bands (ev): -2.4882 -2.4882 -2.4882 -2.4882 3.0286 3.0286 3.0286 3.0286 5.2956 5.2956 5.2956 5.2956 5.7812 5.7812 5.7812 5.7812 6.8116 6.8116 6.8116 6.8116 7.1270 7.1270 7.1270 7.1270 8.2163 8.2163 8.2163 8.2163 8.5221 8.5221 8.5221 8.5221 9.6887 9.6887 9.6887 9.6887 k = 0.5000 0.5000 0.1057 ( 2984 PWs) bands (ev): -2.4880 -2.4880 -2.4880 -2.4880 3.0472 3.0472 3.0472 3.0472 5.2557 5.2557 5.2557 5.2557 5.7687 5.7687 5.7687 5.7687 6.8229 6.8229 6.8229 6.8229 7.1192 7.1192 7.1192 7.1192 8.2066 8.2066 8.2066 8.2066 8.5221 8.5221 8.5221 8.5221 9.7155 9.7155 9.7155 9.7155 k = 0.5000 0.5000 0.1175 ( 2984 PWs) bands (ev): -2.4877 -2.4877 -2.4877 -2.4877 3.0678 3.0678 3.0678 3.0678 5.2120 5.2120 5.2120 5.2120 5.7571 5.7571 5.7571 5.7571 6.8343 6.8343 6.8343 6.8343 7.1110 7.1110 7.1110 7.1110 8.1969 8.1969 8.1969 8.1969 8.5220 8.5220 8.5220 8.5220 9.7430 9.7430 9.7430 9.7430 k = 0.5000 0.5000 0.1292 ( 2976 PWs) bands (ev): -2.4875 -2.4875 -2.4875 -2.4875 3.0901 3.0901 3.0901 3.0901 5.1647 5.1647 5.1647 5.1647 5.7463 5.7463 5.7463 5.7463 6.8454 6.8454 6.8454 6.8454 7.1025 7.1025 7.1025 7.1025 8.1873 8.1873 8.1873 8.1873 8.5221 8.5221 8.5221 8.5221 9.7707 9.7707 9.7707 9.7707 k = 0.5000 0.5000 0.1410 ( 2976 PWs) bands (ev): -2.4872 -2.4872 -2.4872 -2.4872 3.1142 3.1142 3.1142 3.1142 5.1147 5.1147 5.1147 5.1147 5.7365 5.7365 5.7365 5.7365 6.8561 6.8561 6.8561 6.8561 7.0938 7.0938 7.0938 7.0938 8.1779 8.1779 8.1779 8.1779 8.5220 8.5220 8.5220 8.5220 9.7980 9.7980 9.7980 9.7980 k = 0.5000 0.5000 0.1527 ( 2988 PWs) bands (ev): -2.4870 -2.4870 -2.4870 -2.4870 3.1399 3.1399 3.1399 3.1399 5.0625 5.0625 5.0625 5.0625 5.7276 5.7276 5.7276 5.7276 6.8662 6.8662 6.8662 6.8662 7.0849 7.0849 7.0849 7.0849 8.1688 8.1688 8.1688 8.1688 8.5220 8.5220 8.5220 8.5220 9.8247 9.8247 9.8247 9.8247 k = 0.5000 0.5000 0.1645 ( 2996 PWs) bands (ev): -2.4867 -2.4867 -2.4867 -2.4867 3.1669 3.1669 3.1669 3.1669 5.0088 5.0088 5.0088 5.0088 5.7195 5.7195 5.7195 5.7195 6.8757 6.8757 6.8757 6.8757 7.0763 7.0763 7.0763 7.0763 8.1602 8.1602 8.1602 8.1602 8.5219 8.5219 8.5219 8.5219 9.8503 9.8503 9.8503 9.8503 k = 0.5000 0.5000 0.1762 ( 2996 PWs) bands (ev): -2.4865 -2.4865 -2.4865 -2.4865 3.1951 3.1951 3.1951 3.1951 4.9543 4.9543 4.9543 4.9543 5.7121 5.7121 5.7121 5.7121 6.8846 6.8846 6.8846 6.8846 7.0678 7.0678 7.0678 7.0678 8.1522 8.1522 8.1522 8.1522 8.5218 8.5218 8.5218 8.5218 9.8747 9.8747 9.8747 9.8747 k = 0.5000 0.5000 0.1880 ( 2996 PWs) bands (ev): -2.4862 -2.4862 -2.4862 -2.4862 3.2243 3.2243 3.2243 3.2243 4.8996 4.8996 4.8996 4.8996 5.7054 5.7054 5.7054 5.7054 6.8927 6.8927 6.8927 6.8927 7.0596 7.0596 7.0596 7.0596 8.1447 8.1447 8.1447 8.1447 8.5218 8.5218 8.5218 8.5218 9.8975 9.8975 9.8975 9.8975 k = 0.5000 0.5000 0.1997 ( 2996 PWs) bands (ev): -2.4860 -2.4860 -2.4860 -2.4860 3.2541 3.2541 3.2541 3.2541 4.8454 4.8454 4.8454 4.8454 5.6994 5.6994 5.6994 5.6994 6.9002 6.9002 6.9002 6.9002 7.0519 7.0519 7.0519 7.0519 8.1379 8.1379 8.1379 8.1379 8.5218 8.5218 8.5218 8.5218 9.9187 9.9187 9.9187 9.9187 k = 0.5000 0.5000 0.2115 ( 2988 PWs) bands (ev): -2.4858 -2.4858 -2.4858 -2.4858 3.2841 3.2841 3.2841 3.2841 4.7924 4.7924 4.7924 4.7924 5.6940 5.6940 5.6940 5.6940 6.9070 6.9070 6.9070 6.9070 7.0446 7.0446 7.0446 7.0446 8.1317 8.1317 8.1317 8.1317 8.5218 8.5218 8.5218 8.5218 9.9381 9.9381 9.9381 9.9381 k = 0.5000 0.5000 0.2232 ( 2988 PWs) bands (ev): -2.4855 -2.4855 -2.4855 -2.4855 3.3139 3.3139 3.3139 3.3139 4.7413 4.7413 4.7413 4.7413 5.6892 5.6892 5.6892 5.6892 6.9130 6.9130 6.9130 6.9130 7.0379 7.0379 7.0379 7.0379 8.1261 8.1261 8.1261 8.1261 8.5218 8.5218 8.5218 8.5218 9.9556 9.9556 9.9556 9.9556 k = 0.5000 0.5000 0.2350 ( 2988 PWs) bands (ev): -2.4853 -2.4853 -2.4853 -2.4853 3.3430 3.3430 3.3430 3.3430 4.6929 4.6929 4.6929 4.6929 5.6850 5.6850 5.6850 5.6850 6.9182 6.9182 6.9182 6.9182 7.0319 7.0319 7.0319 7.0319 8.1212 8.1212 8.1212 8.1212 8.5218 8.5218 8.5218 8.5218 9.9711 9.9711 9.9711 9.9711 k = 0.5000 0.5000 0.2467 ( 2992 PWs) bands (ev): -2.4852 -2.4852 -2.4852 -2.4852 3.3707 3.3707 3.3707 3.3707 4.6481 4.6481 4.6481 4.6481 5.6813 5.6813 5.6813 5.6813 6.9226 6.9226 6.9226 6.9226 7.0266 7.0266 7.0266 7.0266 8.1169 8.1169 8.1169 8.1169 8.5218 8.5218 8.5218 8.5218 9.9846 9.9846 9.9846 9.9846 k = 0.5000 0.5000 0.2585 ( 2968 PWs) bands (ev): -2.4850 -2.4850 -2.4850 -2.4850 3.3964 3.3964 3.3964 3.3964 4.6077 4.6077 4.6077 4.6077 5.6783 5.6783 5.6783 5.6783 6.9264 6.9264 6.9264 6.9264 7.0222 7.0222 7.0222 7.0222 8.1135 8.1135 8.1135 8.1135 8.5219 8.5219 8.5219 8.5219 9.9960 9.9960 9.9960 9.9960 k = 0.5000 0.5000 0.2702 ( 2968 PWs) bands (ev): -2.4849 -2.4849 -2.4849 -2.4849 3.4191 3.4191 3.4191 3.4191 4.5727 4.5727 4.5727 4.5727 5.6757 5.6757 5.6757 5.6757 6.9294 6.9294 6.9294 6.9294 7.0184 7.0184 7.0184 7.0184 8.1105 8.1105 8.1105 8.1105 8.5218 8.5218 8.5218 8.5218 10.0054 10.0054 10.0054 10.0054 k = 0.5000 0.5000 0.2820 ( 2968 PWs) bands (ev): -2.4848 -2.4848 -2.4848 -2.4848 3.4380 3.4380 3.4380 3.4380 4.5441 4.5441 4.5441 4.5441 5.6737 5.6737 5.6737 5.6737 6.9317 6.9317 6.9317 6.9317 7.0155 7.0155 7.0155 7.0155 8.1082 8.1082 8.1082 8.1082 8.5218 8.5218 8.5218 8.5218 10.0127 10.0127 10.0127 10.0127 k = 0.5000 0.5000 0.2937 ( 2960 PWs) bands (ev): -2.4847 -2.4847 -2.4847 -2.4847 3.4523 3.4523 3.4523 3.4523 4.5228 4.5228 4.5228 4.5228 5.6723 5.6723 5.6723 5.6723 6.9334 6.9334 6.9334 6.9334 7.0134 7.0134 7.0134 7.0134 8.1067 8.1067 8.1067 8.1067 8.5219 8.5219 8.5219 8.5219 10.0179 10.0179 10.0179 10.0179 k = 0.5000 0.5000 0.3055 ( 2952 PWs) bands (ev): -2.4846 -2.4846 -2.4846 -2.4846 3.4613 3.4613 3.4613 3.4613 4.5097 4.5097 4.5097 4.5097 5.6715 5.6715 5.6715 5.6715 6.9344 6.9344 6.9344 6.9344 7.0121 7.0121 7.0121 7.0121 8.1058 8.1058 8.1058 8.1058 8.5220 8.5220 8.5220 8.5220 10.0210 10.0210 10.0210 10.0210 k = 0.5000 0.5000 0.3172 ( 2968 PWs) bands (ev): -2.4846 -2.4846 -2.4846 -2.4846 3.4643 3.4643 3.4643 3.4643 4.5052 4.5052 4.5052 4.5052 5.6712 5.6712 5.6712 5.6712 6.9346 6.9346 6.9346 6.9346 7.0116 7.0116 7.0116 7.0116 8.1055 8.1055 8.1055 8.1055 8.5218 8.5218 8.5218 8.5218 10.0220 10.0220 10.0220 10.0220 Writing output data file FeTe.save init_run : 0.17s CPU 0.31s WALL ( 1 calls) electrons : 73.70s CPU 75.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 73.69s CPU 75.34s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.04s WALL ( 378 calls) cegterg : 64.56s CPU 65.77s WALL ( 378 calls) Called by sum_band: Called by *egterg: h_psi : 37.22s CPU 38.25s WALL ( 5241 calls) s_psi : 3.23s CPU 3.44s WALL ( 5241 calls) g_psi : 0.14s CPU 0.12s WALL ( 4485 calls) cdiaghg : 22.82s CPU 23.31s WALL ( 4863 calls) cegterg:over : 2.58s CPU 2.62s WALL ( 4485 calls) cegterg:upda : 2.04s CPU 1.88s WALL ( 4485 calls) cegterg:last : 1.29s CPU 1.19s WALL ( 1149 calls) cdiaghg:chol : 1.42s CPU 1.31s WALL ( 4863 calls) cdiaghg:inve : 0.66s CPU 0.72s WALL ( 4863 calls) cdiaghg:para : 1.40s CPU 1.32s WALL ( 9726 calls) Called by h_psi: h_psi:vloc : 29.73s CPU 30.75s WALL ( 5241 calls) h_psi:vnl : 7.36s CPU 7.39s WALL ( 5241 calls) add_vuspsi : 3.88s CPU 4.00s WALL ( 5241 calls) General routines calbec : 3.46s CPU 3.37s WALL ( 5241 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.80s CPU 28.79s WALL ( 592920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.14s WALL ( 756 calls) Parallel routines fft_scatter : 14.37s CPU 14.79s WALL ( 592943 calls) PWSCF : 1m25.28s CPU 1m37.72s WALL This run was terminated on: 18:13:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=