Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:23:25 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: ./FeSe.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 27 20 6 915 615 102 Max 28 21 7 921 633 107 Sum 973 749 225 33031 22489 3721 bravais-lattice index = 14 lattice parameter (alat) = 7.1337 a.u. unit-cell volume = 531.5203 (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)= 7.133716 celldm(2)= 1.000000 celldm(3)= 1.464106 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 1.464106 ) 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 0.683011 ) 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Se 6.00 78.96000 Se( 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= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0026178 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0026178 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0026178 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0026178 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026178 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0026178 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026178 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0026178 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0026178 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0026178 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026178 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0026178 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0026178 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026178 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0026178 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0026178 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0026178 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0026178 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0026178 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0026178 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0026178 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0026178 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0026178 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0026178 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0026178 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0026178 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0026178 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0026178 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0026178 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0026178 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0026178 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0026178 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0026178 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0026178 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0026178 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0026178 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0026178 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0026178 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0026178 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026178 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0026178 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0026178 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0026178 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0026178 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0026178 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026178 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0026178 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026178 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0026178 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0026178 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0026178 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026178 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0026178 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0026178 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026178 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0026178 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0026178 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026178 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0026178 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0026178 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0026178 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026178 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0026178 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026178 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0026178 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0026178 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026178 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0026178 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0026178 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026178 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0026178 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0026178 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0026178 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0026178 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0026178 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0026178 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0026178 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0026178 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0026178 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0026178 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0026178 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0026178 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0026178 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0026178 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0026178 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0026178 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0026178 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0026178 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0026178 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0026178 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0026178 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0026178 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0026178 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0026178 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0026178 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0026178 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0026178 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0026178 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0026178 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0026178 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0026178 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0026178 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0026178 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0026178 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0026178 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0026178 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0026178 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0026178 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0026178 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0026178 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0026178 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0026178 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0026178 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0026178 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0026178 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0026178 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0026178 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0026178 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0026178 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0026178 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0026178 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0026178 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0026178 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0026178 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0026178 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0026178 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0026178 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0026178 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0026178 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0026178 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0026178 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0026178 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0026178 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 148) = ( 0.0000000 0.0000000 0.0117760), wk = 0.0026178 k( 149) = ( 0.0000000 0.0000000 0.0235521), wk = 0.0026178 k( 150) = ( 0.0000000 0.0000000 0.0353281), wk = 0.0026178 k( 151) = ( 0.0000000 0.0000000 0.0471042), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.0588802), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.0706563), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.0824323), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.0942084), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.1059844), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.1177605), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.1295365), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.1413126), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.1530886), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.1648646), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.1766407), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.1884167), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.2001928), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.2119688), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.2237449), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.2355209), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.2472970), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.2590730), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.2708491), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.2826251), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.2944012), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.3061772), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.3179532), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.3297293), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.3415053), wk = 0.0026178 k( 177) = ( 0.0000000 0.0000000 0.3415053), wk = 0.0026178 k( 178) = ( 0.0000000 0.0119048 0.3415053), wk = 0.0026178 k( 179) = ( 0.0000000 0.0238095 0.3415053), wk = 0.0026178 k( 180) = ( 0.0000000 0.0357143 0.3415053), wk = 0.0026178 k( 181) = ( 0.0000000 0.0476191 0.3415053), wk = 0.0026178 k( 182) = ( 0.0000000 0.0595238 0.3415053), wk = 0.0026178 k( 183) = ( 0.0000000 0.0714286 0.3415053), wk = 0.0026178 k( 184) = ( 0.0000000 0.0833333 0.3415053), wk = 0.0026178 k( 185) = ( 0.0000000 0.0952381 0.3415053), wk = 0.0026178 k( 186) = ( 0.0000000 0.1071429 0.3415053), wk = 0.0026178 k( 187) = ( 0.0000000 0.1190476 0.3415053), wk = 0.0026178 k( 188) = ( 0.0000000 0.1309524 0.3415053), wk = 0.0026178 k( 189) = ( 0.0000000 0.1428571 0.3415053), wk = 0.0026178 k( 190) = ( 0.0000000 0.1547619 0.3415053), wk = 0.0026178 k( 191) = ( 0.0000000 0.1666667 0.3415053), wk = 0.0026178 k( 192) = ( 0.0000000 0.1785714 0.3415053), wk = 0.0026178 k( 193) = ( 0.0000000 0.1904762 0.3415053), wk = 0.0026178 k( 194) = ( 0.0000000 0.2023810 0.3415053), wk = 0.0026178 k( 195) = ( 0.0000000 0.2142857 0.3415053), wk = 0.0026178 k( 196) = ( 0.0000000 0.2261905 0.3415053), wk = 0.0026178 k( 197) = ( 0.0000000 0.2380952 0.3415053), wk = 0.0026178 k( 198) = ( 0.0000000 0.2500000 0.3415053), wk = 0.0026178 k( 199) = ( 0.0000000 0.2619048 0.3415053), wk = 0.0026178 k( 200) = ( 0.0000000 0.2738095 0.3415053), wk = 0.0026178 k( 201) = ( 0.0000000 0.2857143 0.3415053), wk = 0.0026178 k( 202) = ( 0.0000000 0.2976190 0.3415053), wk = 0.0026178 k( 203) = ( 0.0000000 0.3095238 0.3415053), wk = 0.0026178 k( 204) = ( 0.0000000 0.3214286 0.3415053), wk = 0.0026178 k( 205) = ( 0.0000000 0.3333333 0.3415053), wk = 0.0026178 k( 206) = ( 0.0000000 0.3452381 0.3415053), wk = 0.0026178 k( 207) = ( 0.0000000 0.3571429 0.3415053), wk = 0.0026178 k( 208) = ( 0.0000000 0.3690476 0.3415053), wk = 0.0026178 k( 209) = ( 0.0000000 0.3809524 0.3415053), wk = 0.0026178 k( 210) = ( 0.0000000 0.3928571 0.3415053), wk = 0.0026178 k( 211) = ( 0.0000000 0.4047619 0.3415053), wk = 0.0026178 k( 212) = ( 0.0000000 0.4166667 0.3415053), wk = 0.0026178 k( 213) = ( 0.0000000 0.4285714 0.3415053), wk = 0.0026178 k( 214) = ( 0.0000000 0.4404762 0.3415053), wk = 0.0026178 k( 215) = ( 0.0000000 0.4523810 0.3415053), wk = 0.0026178 k( 216) = ( 0.0000000 0.4642857 0.3415053), wk = 0.0026178 k( 217) = ( 0.0000000 0.4761905 0.3415053), wk = 0.0026178 k( 218) = ( 0.0000000 0.4880952 0.3415053), wk = 0.0026178 k( 219) = ( 0.0000000 0.5000000 0.3415053), wk = 0.0026178 k( 220) = ( 0.0000000 0.5000000 0.3415053), wk = 0.0026178 k( 221) = ( 0.0119048 0.5000000 0.3415053), wk = 0.0026178 k( 222) = ( 0.0238095 0.5000000 0.3415053), wk = 0.0026178 k( 223) = ( 0.0357143 0.5000000 0.3415053), wk = 0.0026178 k( 224) = ( 0.0476191 0.5000000 0.3415053), wk = 0.0026178 k( 225) = ( 0.0595238 0.5000000 0.3415053), wk = 0.0026178 k( 226) = ( 0.0714286 0.5000000 0.3415053), wk = 0.0026178 k( 227) = ( 0.0833333 0.5000000 0.3415053), wk = 0.0026178 k( 228) = ( 0.0952381 0.5000000 0.3415053), wk = 0.0026178 k( 229) = ( 0.1071429 0.5000000 0.3415053), wk = 0.0026178 k( 230) = ( 0.1190476 0.5000000 0.3415053), wk = 0.0026178 k( 231) = ( 0.1309524 0.5000000 0.3415053), wk = 0.0026178 k( 232) = ( 0.1428571 0.5000000 0.3415053), wk = 0.0026178 k( 233) = ( 0.1547619 0.5000000 0.3415053), wk = 0.0026178 k( 234) = ( 0.1666667 0.5000000 0.3415053), wk = 0.0026178 k( 235) = ( 0.1785714 0.5000000 0.3415053), wk = 0.0026178 k( 236) = ( 0.1904762 0.5000000 0.3415053), wk = 0.0026178 k( 237) = ( 0.2023810 0.5000000 0.3415053), wk = 0.0026178 k( 238) = ( 0.2142857 0.5000000 0.3415053), wk = 0.0026178 k( 239) = ( 0.2261905 0.5000000 0.3415053), wk = 0.0026178 k( 240) = ( 0.2380952 0.5000000 0.3415053), wk = 0.0026178 k( 241) = ( 0.2500000 0.5000000 0.3415053), wk = 0.0026178 k( 242) = ( 0.2619048 0.5000000 0.3415053), wk = 0.0026178 k( 243) = ( 0.2738095 0.5000000 0.3415053), wk = 0.0026178 k( 244) = ( 0.2857143 0.5000000 0.3415053), wk = 0.0026178 k( 245) = ( 0.2976190 0.5000000 0.3415053), wk = 0.0026178 k( 246) = ( 0.3095238 0.5000000 0.3415053), wk = 0.0026178 k( 247) = ( 0.3214286 0.5000000 0.3415053), wk = 0.0026178 k( 248) = ( 0.3333333 0.5000000 0.3415053), wk = 0.0026178 k( 249) = ( 0.3452381 0.5000000 0.3415053), wk = 0.0026178 k( 250) = ( 0.3571429 0.5000000 0.3415053), wk = 0.0026178 k( 251) = ( 0.3690476 0.5000000 0.3415053), wk = 0.0026178 k( 252) = ( 0.3809524 0.5000000 0.3415053), wk = 0.0026178 k( 253) = ( 0.3928571 0.5000000 0.3415053), wk = 0.0026178 k( 254) = ( 0.4047619 0.5000000 0.3415053), wk = 0.0026178 k( 255) = ( 0.4166667 0.5000000 0.3415053), wk = 0.0026178 k( 256) = ( 0.4285714 0.5000000 0.3415053), wk = 0.0026178 k( 257) = ( 0.4404762 0.5000000 0.3415053), wk = 0.0026178 k( 258) = ( 0.4523810 0.5000000 0.3415053), wk = 0.0026178 k( 259) = ( 0.4642857 0.5000000 0.3415053), wk = 0.0026178 k( 260) = ( 0.4761905 0.5000000 0.3415053), wk = 0.0026178 k( 261) = ( 0.4880952 0.5000000 0.3415053), wk = 0.0026178 k( 262) = ( 0.5000000 0.5000000 0.3415053), wk = 0.0026178 k( 263) = ( 0.5000000 0.5000000 0.3415053), wk = 0.0026178 k( 264) = ( 0.4915254 0.4915254 0.3415053), wk = 0.0026178 k( 265) = ( 0.4830508 0.4830508 0.3415053), wk = 0.0026178 k( 266) = ( 0.4745763 0.4745763 0.3415053), wk = 0.0026178 k( 267) = ( 0.4661017 0.4661017 0.3415053), wk = 0.0026178 k( 268) = ( 0.4576271 0.4576271 0.3415053), wk = 0.0026178 k( 269) = ( 0.4491525 0.4491525 0.3415053), wk = 0.0026178 k( 270) = ( 0.4406780 0.4406780 0.3415053), wk = 0.0026178 k( 271) = ( 0.4322034 0.4322034 0.3415053), wk = 0.0026178 k( 272) = ( 0.4237288 0.4237288 0.3415053), wk = 0.0026178 k( 273) = ( 0.4152542 0.4152542 0.3415053), wk = 0.0026178 k( 274) = ( 0.4067797 0.4067797 0.3415053), wk = 0.0026178 k( 275) = ( 0.3983051 0.3983051 0.3415053), wk = 0.0026178 k( 276) = ( 0.3898305 0.3898305 0.3415053), wk = 0.0026178 k( 277) = ( 0.3813559 0.3813559 0.3415053), wk = 0.0026178 k( 278) = ( 0.3728814 0.3728814 0.3415053), wk = 0.0026178 k( 279) = ( 0.3644068 0.3644068 0.3415053), wk = 0.0026178 k( 280) = ( 0.3559322 0.3559322 0.3415053), wk = 0.0026178 k( 281) = ( 0.3474576 0.3474576 0.3415053), wk = 0.0026178 k( 282) = ( 0.3389831 0.3389830 0.3415053), wk = 0.0026178 k( 283) = ( 0.3305085 0.3305085 0.3415053), wk = 0.0026178 k( 284) = ( 0.3220339 0.3220339 0.3415053), wk = 0.0026178 k( 285) = ( 0.3135593 0.3135593 0.3415053), wk = 0.0026178 k( 286) = ( 0.3050848 0.3050847 0.3415053), wk = 0.0026178 k( 287) = ( 0.2966102 0.2966102 0.3415053), wk = 0.0026178 k( 288) = ( 0.2881356 0.2881356 0.3415053), wk = 0.0026178 k( 289) = ( 0.2796610 0.2796610 0.3415053), wk = 0.0026178 k( 290) = ( 0.2711864 0.2711864 0.3415053), wk = 0.0026178 k( 291) = ( 0.2627119 0.2627119 0.3415053), wk = 0.0026178 k( 292) = ( 0.2542373 0.2542373 0.3415053), wk = 0.0026178 k( 293) = ( 0.2457627 0.2457627 0.3415053), wk = 0.0026178 k( 294) = ( 0.2372881 0.2372881 0.3415053), wk = 0.0026178 k( 295) = ( 0.2288136 0.2288136 0.3415053), wk = 0.0026178 k( 296) = ( 0.2203390 0.2203390 0.3415053), wk = 0.0026178 k( 297) = ( 0.2118644 0.2118644 0.3415053), wk = 0.0026178 k( 298) = ( 0.2033898 0.2033898 0.3415053), wk = 0.0026178 k( 299) = ( 0.1949153 0.1949152 0.3415053), wk = 0.0026178 k( 300) = ( 0.1864407 0.1864407 0.3415053), wk = 0.0026178 k( 301) = ( 0.1779661 0.1779661 0.3415053), wk = 0.0026178 k( 302) = ( 0.1694915 0.1694915 0.3415053), wk = 0.0026178 k( 303) = ( 0.1610169 0.1610169 0.3415053), wk = 0.0026178 k( 304) = ( 0.1525424 0.1525424 0.3415053), wk = 0.0026178 k( 305) = ( 0.1440678 0.1440678 0.3415053), wk = 0.0026178 k( 306) = ( 0.1355932 0.1355932 0.3415053), wk = 0.0026178 k( 307) = ( 0.1271186 0.1271186 0.3415053), wk = 0.0026178 k( 308) = ( 0.1186441 0.1186441 0.3415053), wk = 0.0026178 k( 309) = ( 0.1101695 0.1101695 0.3415053), wk = 0.0026178 k( 310) = ( 0.1016949 0.1016949 0.3415053), wk = 0.0026178 k( 311) = ( 0.0932203 0.0932203 0.3415053), wk = 0.0026178 k( 312) = ( 0.0847458 0.0847458 0.3415053), wk = 0.0026178 k( 313) = ( 0.0762712 0.0762712 0.3415053), wk = 0.0026178 k( 314) = ( 0.0677966 0.0677966 0.3415053), wk = 0.0026178 k( 315) = ( 0.0593220 0.0593220 0.3415053), wk = 0.0026178 k( 316) = ( 0.0508475 0.0508475 0.3415053), wk = 0.0026178 k( 317) = ( 0.0423729 0.0423729 0.3415053), wk = 0.0026178 k( 318) = ( 0.0338983 0.0338983 0.3415053), wk = 0.0026178 k( 319) = ( 0.0254237 0.0254237 0.3415053), wk = 0.0026178 k( 320) = ( 0.0169491 0.0169491 0.3415053), wk = 0.0026178 k( 321) = ( 0.0084746 0.0084746 0.3415053), wk = 0.0026178 k( 322) = ( 0.0000000 0.0000000 0.3415053), wk = 0.0026178 k( 323) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 324) = ( 0.0000000 0.5000000 0.0117760), wk = 0.0026178 k( 325) = ( 0.0000000 0.5000000 0.0235521), wk = 0.0026178 k( 326) = ( 0.0000000 0.5000000 0.0353281), wk = 0.0026178 k( 327) = ( 0.0000000 0.5000000 0.0471042), wk = 0.0026178 k( 328) = ( 0.0000000 0.5000000 0.0588802), wk = 0.0026178 k( 329) = ( 0.0000000 0.5000000 0.0706563), wk = 0.0026178 k( 330) = ( 0.0000000 0.5000000 0.0824323), wk = 0.0026178 k( 331) = ( 0.0000000 0.5000000 0.0942084), wk = 0.0026178 k( 332) = ( 0.0000000 0.5000000 0.1059844), wk = 0.0026178 k( 333) = ( 0.0000000 0.5000000 0.1177605), wk = 0.0026178 k( 334) = ( 0.0000000 0.5000000 0.1295365), wk = 0.0026178 k( 335) = ( 0.0000000 0.5000000 0.1413126), wk = 0.0026178 k( 336) = ( 0.0000000 0.5000000 0.1530886), wk = 0.0026178 k( 337) = ( 0.0000000 0.5000000 0.1648646), wk = 0.0026178 k( 338) = ( 0.0000000 0.5000000 0.1766407), wk = 0.0026178 k( 339) = ( 0.0000000 0.5000000 0.1884167), wk = 0.0026178 k( 340) = ( 0.0000000 0.5000000 0.2001928), wk = 0.0026178 k( 341) = ( 0.0000000 0.5000000 0.2119688), wk = 0.0026178 k( 342) = ( 0.0000000 0.5000000 0.2237449), wk = 0.0026178 k( 343) = ( 0.0000000 0.5000000 0.2355209), wk = 0.0026178 k( 344) = ( 0.0000000 0.5000000 0.2472970), wk = 0.0026178 k( 345) = ( 0.0000000 0.5000000 0.2590730), wk = 0.0026178 k( 346) = ( 0.0000000 0.5000000 0.2708491), wk = 0.0026178 k( 347) = ( 0.0000000 0.5000000 0.2826251), wk = 0.0026178 k( 348) = ( 0.0000000 0.5000000 0.2944012), wk = 0.0026178 k( 349) = ( 0.0000000 0.5000000 0.3061772), wk = 0.0026178 k( 350) = ( 0.0000000 0.5000000 0.3179532), wk = 0.0026178 k( 351) = ( 0.0000000 0.5000000 0.3297293), wk = 0.0026178 k( 352) = ( 0.0000000 0.5000000 0.3415053), wk = 0.0026178 k( 353) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 354) = ( 0.5000000 0.5000000 0.0117760), wk = 0.0026178 k( 355) = ( 0.5000000 0.5000000 0.0235521), wk = 0.0026178 k( 356) = ( 0.5000000 0.5000000 0.0353281), wk = 0.0026178 k( 357) = ( 0.5000000 0.5000000 0.0471042), wk = 0.0026178 k( 358) = ( 0.5000000 0.5000000 0.0588802), wk = 0.0026178 k( 359) = ( 0.5000000 0.5000000 0.0706563), wk = 0.0026178 k( 360) = ( 0.5000000 0.5000000 0.0824323), wk = 0.0026178 k( 361) = ( 0.5000000 0.5000000 0.0942084), wk = 0.0026178 k( 362) = ( 0.5000000 0.5000000 0.1059844), wk = 0.0026178 k( 363) = ( 0.5000000 0.5000000 0.1177605), wk = 0.0026178 k( 364) = ( 0.5000000 0.5000000 0.1295365), wk = 0.0026178 k( 365) = ( 0.5000000 0.5000000 0.1413126), wk = 0.0026178 k( 366) = ( 0.5000000 0.5000000 0.1530886), wk = 0.0026178 k( 367) = ( 0.5000000 0.5000000 0.1648646), wk = 0.0026178 k( 368) = ( 0.5000000 0.5000000 0.1766407), wk = 0.0026178 k( 369) = ( 0.5000000 0.5000000 0.1884167), wk = 0.0026178 k( 370) = ( 0.5000000 0.5000000 0.2001928), wk = 0.0026178 k( 371) = ( 0.5000000 0.5000000 0.2119688), wk = 0.0026178 k( 372) = ( 0.5000000 0.5000000 0.2237449), wk = 0.0026178 k( 373) = ( 0.5000000 0.5000000 0.2355209), wk = 0.0026178 k( 374) = ( 0.5000000 0.5000000 0.2472970), wk = 0.0026178 k( 375) = ( 0.5000000 0.5000000 0.2590730), wk = 0.0026178 k( 376) = ( 0.5000000 0.5000000 0.2708491), wk = 0.0026178 k( 377) = ( 0.5000000 0.5000000 0.2826251), wk = 0.0026178 k( 378) = ( 0.5000000 0.5000000 0.2944012), wk = 0.0026178 k( 379) = ( 0.5000000 0.5000000 0.3061772), wk = 0.0026178 k( 380) = ( 0.5000000 0.5000000 0.3179532), wk = 0.0026178 k( 381) = ( 0.5000000 0.5000000 0.3297293), wk = 0.0026178 k( 382) = ( 0.5000000 0.5000000 0.3415053), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0026178 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0026178 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0026178 k( 7) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0026178 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0026178 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0026178 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0026178 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0026178 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0026178 k( 13) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0026178 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0026178 k( 15) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0026178 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0026178 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0026178 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0026178 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026178 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0026178 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0026178 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026178 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0026178 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0026178 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0026178 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0026178 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0026178 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0026178 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0026178 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0026178 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0026178 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0026178 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0026178 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0026178 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0026178 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0026178 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0026178 k( 38) = ( 0.0000000 0.4404762 0.0000000), wk = 0.0026178 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0026178 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0026178 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0026178 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0026178 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0026178 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0026178 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0026178 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0026178 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0026178 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026178 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0026178 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0026178 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0026178 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0026178 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0026178 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026178 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0026178 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026178 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0026178 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0026178 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0026178 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0026178 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0026178 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0026178 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026178 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0026178 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0026178 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026178 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0026178 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0026178 k( 71) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0026178 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026178 k( 73) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0026178 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0026178 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0026178 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0026178 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026178 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0026178 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0026178 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0026178 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0026178 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0026178 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0026178 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0026178 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0026178 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 88) = ( 0.4915254 0.4915254 0.0000000), wk = 0.0026178 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0026178 k( 90) = ( 0.4745763 0.4745763 0.0000000), wk = 0.0026178 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0026178 k( 92) = ( 0.4576271 0.4576271 0.0000000), wk = 0.0026178 k( 93) = ( 0.4491525 0.4491525 0.0000000), wk = 0.0026178 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0026178 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0026178 k( 96) = ( 0.4237288 0.4237288 0.0000000), wk = 0.0026178 k( 97) = ( 0.4152542 0.4152542 0.0000000), wk = 0.0026178 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0026178 k( 99) = ( 0.3983051 0.3983051 0.0000000), wk = 0.0026178 k( 100) = ( 0.3898305 0.3898305 0.0000000), wk = 0.0026178 k( 101) = ( 0.3813559 0.3813559 0.0000000), wk = 0.0026178 k( 102) = ( 0.3728814 0.3728814 0.0000000), wk = 0.0026178 k( 103) = ( 0.3644068 0.3644068 0.0000000), wk = 0.0026178 k( 104) = ( 0.3559322 0.3559322 0.0000000), wk = 0.0026178 k( 105) = ( 0.3474576 0.3474576 0.0000000), wk = 0.0026178 k( 106) = ( 0.3389831 0.3389831 -0.0000000), wk = 0.0026178 k( 107) = ( 0.3305085 0.3305085 0.0000000), wk = 0.0026178 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0026178 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0026178 k( 110) = ( 0.3050848 0.3050848 -0.0000000), wk = 0.0026178 k( 111) = ( 0.2966102 0.2966102 0.0000000), wk = 0.0026178 k( 112) = ( 0.2881356 0.2881356 0.0000000), wk = 0.0026178 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0026178 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0026178 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0026178 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0026178 k( 117) = ( 0.2457627 0.2457627 0.0000000), wk = 0.0026178 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0026178 k( 119) = ( 0.2288136 0.2288136 0.0000000), wk = 0.0026178 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0026178 k( 121) = ( 0.2118644 0.2118644 0.0000000), wk = 0.0026178 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0026178 k( 123) = ( 0.1949153 0.1949153 0.0000000), wk = 0.0026178 k( 124) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0026178 k( 125) = ( 0.1779661 0.1779661 0.0000000), wk = 0.0026178 k( 126) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0026178 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0026178 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0026178 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0026178 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0026178 k( 131) = ( 0.1271186 0.1271186 0.0000000), wk = 0.0026178 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0026178 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0026178 k( 134) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0026178 k( 135) = ( 0.0932203 0.0932203 0.0000000), wk = 0.0026178 k( 136) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0026178 k( 137) = ( 0.0762712 0.0762712 0.0000000), wk = 0.0026178 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0026178 k( 139) = ( 0.0593220 0.0593220 0.0000000), wk = 0.0026178 k( 140) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0026178 k( 141) = ( 0.0423729 0.0423729 0.0000000), wk = 0.0026178 k( 142) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0026178 k( 143) = ( 0.0254237 0.0254237 0.0000000), wk = 0.0026178 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0026178 k( 145) = ( 0.0084746 0.0084746 0.0000000), wk = 0.0026178 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 148) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0026178 k( 149) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0026178 k( 150) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0026178 k( 151) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 178) = ( 0.0000000 0.0119048 0.5000000), wk = 0.0026178 k( 179) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0026178 k( 180) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0026178 k( 181) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0026178 k( 182) = ( 0.0000000 0.0595238 0.5000000), wk = 0.0026178 k( 183) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0026178 k( 184) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0026178 k( 185) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0026178 k( 186) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0026178 k( 187) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0026178 k( 188) = ( 0.0000000 0.1309524 0.5000000), wk = 0.0026178 k( 189) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0026178 k( 190) = ( 0.0000000 0.1547619 0.5000000), wk = 0.0026178 k( 191) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0026178 k( 192) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0026178 k( 193) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0026178 k( 194) = ( 0.0000000 0.2023810 0.5000000), wk = 0.0026178 k( 195) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0026178 k( 196) = ( 0.0000000 0.2261905 0.5000000), wk = 0.0026178 k( 197) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0026178 k( 198) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026178 k( 199) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0026178 k( 200) = ( 0.0000000 0.2738095 0.5000000), wk = 0.0026178 k( 201) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0026178 k( 202) = ( 0.0000000 0.2976190 0.5000000), wk = 0.0026178 k( 203) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0026178 k( 204) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0026178 k( 205) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0026178 k( 206) = ( 0.0000000 0.3452381 0.5000000), wk = 0.0026178 k( 207) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0026178 k( 208) = ( 0.0000000 0.3690476 0.5000000), wk = 0.0026178 k( 209) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0026178 k( 210) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0026178 k( 211) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0026178 k( 212) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0026178 k( 213) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0026178 k( 214) = ( 0.0000000 0.4404762 0.5000000), wk = 0.0026178 k( 215) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0026178 k( 216) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0026178 k( 217) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0026178 k( 218) = ( 0.0000000 0.4880952 0.5000000), wk = 0.0026178 k( 219) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 220) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 221) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0026178 k( 222) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0026178 k( 223) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0026178 k( 224) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0026178 k( 225) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0026178 k( 226) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0026178 k( 227) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0026178 k( 228) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0026178 k( 229) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0026178 k( 230) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0026178 k( 231) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0026178 k( 232) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0026178 k( 233) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0026178 k( 234) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0026178 k( 235) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0026178 k( 236) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0026178 k( 237) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0026178 k( 238) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0026178 k( 239) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0026178 k( 240) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0026178 k( 241) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026178 k( 242) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0026178 k( 243) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0026178 k( 244) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0026178 k( 245) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0026178 k( 246) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0026178 k( 247) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0026178 k( 248) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0026178 k( 249) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0026178 k( 250) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0026178 k( 251) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0026178 k( 252) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0026178 k( 253) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0026178 k( 254) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0026178 k( 255) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0026178 k( 256) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0026178 k( 257) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0026178 k( 258) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0026178 k( 259) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0026178 k( 260) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0026178 k( 261) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0026178 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 264) = ( 0.4915254 0.4915254 0.5000000), wk = 0.0026178 k( 265) = ( 0.4830508 0.4830508 0.5000000), wk = 0.0026178 k( 266) = ( 0.4745763 0.4745763 0.5000000), wk = 0.0026178 k( 267) = ( 0.4661017 0.4661017 0.5000000), wk = 0.0026178 k( 268) = ( 0.4576271 0.4576271 0.5000000), wk = 0.0026178 k( 269) = ( 0.4491525 0.4491525 0.5000000), wk = 0.0026178 k( 270) = ( 0.4406780 0.4406780 0.5000000), wk = 0.0026178 k( 271) = ( 0.4322034 0.4322034 0.5000000), wk = 0.0026178 k( 272) = ( 0.4237288 0.4237288 0.5000000), wk = 0.0026178 k( 273) = ( 0.4152542 0.4152542 0.5000000), wk = 0.0026178 k( 274) = ( 0.4067797 0.4067797 0.5000000), wk = 0.0026178 k( 275) = ( 0.3983051 0.3983051 0.5000000), wk = 0.0026178 k( 276) = ( 0.3898305 0.3898305 0.5000000), wk = 0.0026178 k( 277) = ( 0.3813559 0.3813559 0.5000000), wk = 0.0026178 k( 278) = ( 0.3728814 0.3728814 0.5000000), wk = 0.0026178 k( 279) = ( 0.3644068 0.3644068 0.5000000), wk = 0.0026178 k( 280) = ( 0.3559322 0.3559322 0.5000000), wk = 0.0026178 k( 281) = ( 0.3474576 0.3474576 0.5000000), wk = 0.0026178 k( 282) = ( 0.3389831 0.3389831 0.5000000), wk = 0.0026178 k( 283) = ( 0.3305085 0.3305085 0.5000000), wk = 0.0026178 k( 284) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0026178 k( 285) = ( 0.3135593 0.3135593 0.5000000), wk = 0.0026178 k( 286) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0026178 k( 287) = ( 0.2966102 0.2966102 0.5000000), wk = 0.0026178 k( 288) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0026178 k( 289) = ( 0.2796610 0.2796610 0.5000000), wk = 0.0026178 k( 290) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0026178 k( 291) = ( 0.2627119 0.2627119 0.5000000), wk = 0.0026178 k( 292) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0026178 k( 293) = ( 0.2457627 0.2457627 0.5000000), wk = 0.0026178 k( 294) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0026178 k( 295) = ( 0.2288136 0.2288136 0.5000000), wk = 0.0026178 k( 296) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0026178 k( 297) = ( 0.2118644 0.2118644 0.5000000), wk = 0.0026178 k( 298) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0026178 k( 299) = ( 0.1949153 0.1949153 0.5000000), wk = 0.0026178 k( 300) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0026178 k( 301) = ( 0.1779661 0.1779661 0.5000000), wk = 0.0026178 k( 302) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0026178 k( 303) = ( 0.1610169 0.1610169 0.5000000), wk = 0.0026178 k( 304) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0026178 k( 305) = ( 0.1440678 0.1440678 0.5000000), wk = 0.0026178 k( 306) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0026178 k( 307) = ( 0.1271186 0.1271186 0.5000000), wk = 0.0026178 k( 308) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0026178 k( 309) = ( 0.1101695 0.1101695 0.5000000), wk = 0.0026178 k( 310) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0026178 k( 311) = ( 0.0932203 0.0932203 0.5000000), wk = 0.0026178 k( 312) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0026178 k( 313) = ( 0.0762712 0.0762712 0.5000000), wk = 0.0026178 k( 314) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0026178 k( 315) = ( 0.0593220 0.0593220 0.5000000), wk = 0.0026178 k( 316) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0026178 k( 317) = ( 0.0423729 0.0423729 0.5000000), wk = 0.0026178 k( 318) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0026178 k( 319) = ( 0.0254237 0.0254237 0.5000000), wk = 0.0026178 k( 320) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0026178 k( 321) = ( 0.0084746 0.0084746 0.5000000), wk = 0.0026178 k( 322) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 323) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 324) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0026178 k( 325) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0026178 k( 326) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0026178 k( 327) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0026178 k( 328) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0026178 k( 329) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0026178 k( 330) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0026178 k( 331) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0026178 k( 332) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0026178 k( 333) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0026178 k( 334) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0026178 k( 335) = ( 0.0000000 0.5000000 0.2068966), wk = 0.0026178 k( 336) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0026178 k( 337) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0026178 k( 338) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0026178 k( 339) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0026178 k( 340) = ( 0.0000000 0.5000000 0.2931034), wk = 0.0026178 k( 341) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0026178 k( 342) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0026178 k( 343) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0026178 k( 344) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0026178 k( 345) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0026178 k( 346) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0026178 k( 347) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0026178 k( 348) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0026178 k( 349) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0026178 k( 350) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0026178 k( 351) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0026178 k( 352) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 353) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 354) = ( 0.5000000 0.5000000 0.0172414), wk = 0.0026178 k( 355) = ( 0.5000000 0.5000000 0.0344828), wk = 0.0026178 k( 356) = ( 0.5000000 0.5000000 0.0517241), wk = 0.0026178 k( 357) = ( 0.5000000 0.5000000 0.0689655), wk = 0.0026178 k( 358) = ( 0.5000000 0.5000000 0.0862069), wk = 0.0026178 k( 359) = ( 0.5000000 0.5000000 0.1034483), wk = 0.0026178 k( 360) = ( 0.5000000 0.5000000 0.1206897), wk = 0.0026178 k( 361) = ( 0.5000000 0.5000000 0.1379310), wk = 0.0026178 k( 362) = ( 0.5000000 0.5000000 0.1551724), wk = 0.0026178 k( 363) = ( 0.5000000 0.5000000 0.1724138), wk = 0.0026178 k( 364) = ( 0.5000000 0.5000000 0.1896552), wk = 0.0026178 k( 365) = ( 0.5000000 0.5000000 0.2068965), wk = 0.0026178 k( 366) = ( 0.5000000 0.5000000 0.2241379), wk = 0.0026178 k( 367) = ( 0.5000000 0.5000000 0.2413793), wk = 0.0026178 k( 368) = ( 0.5000000 0.5000000 0.2586207), wk = 0.0026178 k( 369) = ( 0.5000000 0.5000000 0.2758621), wk = 0.0026178 k( 370) = ( 0.5000000 0.5000000 0.2931034), wk = 0.0026178 k( 371) = ( 0.5000000 0.5000000 0.3103448), wk = 0.0026178 k( 372) = ( 0.5000000 0.5000000 0.3275862), wk = 0.0026178 k( 373) = ( 0.5000000 0.5000000 0.3448276), wk = 0.0026178 k( 374) = ( 0.5000000 0.5000000 0.3620690), wk = 0.0026178 k( 375) = ( 0.5000000 0.5000000 0.3793103), wk = 0.0026178 k( 376) = ( 0.5000000 0.5000000 0.3965517), wk = 0.0026178 k( 377) = ( 0.5000000 0.5000000 0.4137931), wk = 0.0026178 k( 378) = ( 0.5000000 0.5000000 0.4310345), wk = 0.0026178 k( 379) = ( 0.5000000 0.5000000 0.4482759), wk = 0.0026178 k( 380) = ( 0.5000000 0.5000000 0.4655172), wk = 0.0026178 k( 381) = ( 0.5000000 0.5000000 0.4827586), wk = 0.0026178 k( 382) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 Dense grid: 33031 G-vectors FFT dimensions: ( 36, 36, 54) Smooth grid: 22489 G-vectors FFT dimensions: ( 32, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 166, 36) NL pseudopotentials 0.12 Mb ( 83, 96) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 917) G-vector shells 0.00 Mb ( 451) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 166, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 96, 2, 36) The potential is recalculated from file : ./FeSe.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 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.2 secs Computing kpt #: 9 total cpu time spent up to now is 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.6 secs Computing kpt #: 11 total cpu time spent up to now is 3.8 secs Computing kpt #: 12 total cpu time spent up to now is 4.1 secs Computing kpt #: 13 total cpu time spent up to now is 4.3 secs Computing kpt #: 14 total cpu time spent up to now is 4.5 secs Computing kpt #: 15 total cpu time spent up to now is 4.7 secs Computing kpt #: 16 total cpu time spent up to now is 4.9 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.9 secs Computing kpt #: 21 total cpu time spent up to now is 6.1 secs Computing kpt #: 22 total cpu time spent up to now is 6.3 secs Computing kpt #: 23 total cpu time spent up to now is 6.6 secs Computing kpt #: 24 total cpu time spent up to now is 6.8 secs Computing kpt #: 25 total cpu time spent up to now is 7.0 secs Computing kpt #: 26 total cpu time spent up to now is 7.2 secs Computing kpt #: 27 total cpu time spent up to now is 7.5 secs Computing kpt #: 28 total cpu time spent up to now is 7.7 secs Computing kpt #: 29 total cpu time spent up to now is 7.9 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 8.5 secs Computing kpt #: 32 total cpu time spent up to now is 8.8 secs Computing kpt #: 33 total cpu time spent up to now is 9.1 secs Computing kpt #: 34 total cpu time spent up to now is 9.4 secs Computing kpt #: 35 total cpu time spent up to now is 9.7 secs Computing kpt #: 36 total cpu time spent up to now is 10.0 secs Computing kpt #: 37 total cpu time spent up to now is 10.2 secs Computing kpt #: 38 total cpu time spent up to now is 10.4 secs Computing kpt #: 39 total cpu time spent up to now is 10.6 secs Computing kpt #: 40 total cpu time spent up to now is 10.8 secs Computing kpt #: 41 total cpu time spent up to now is 11.0 secs Computing kpt #: 42 total cpu time spent up to now is 11.2 secs Computing kpt #: 43 total cpu time spent up to now is 11.4 secs Computing kpt #: 44 total cpu time spent up to now is 11.6 secs Computing kpt #: 45 total cpu time spent up to now is 11.8 secs Computing kpt #: 46 total cpu time spent up to now is 12.0 secs Computing kpt #: 47 total cpu time spent up to now is 12.2 secs Computing kpt #: 48 total cpu time spent up to now is 12.4 secs Computing kpt #: 49 total cpu time spent up to now is 12.6 secs Computing kpt #: 50 total cpu time spent up to now is 12.8 secs Computing kpt #: 51 total cpu time spent up to now is 13.0 secs Computing kpt #: 52 total cpu time spent up to now is 13.2 secs Computing kpt #: 53 total cpu time spent up to now is 13.4 secs Computing kpt #: 54 total cpu time spent up to now is 13.6 secs Computing kpt #: 55 total cpu time spent up to now is 13.8 secs Computing kpt #: 56 total cpu time spent up to now is 14.0 secs Computing kpt #: 57 total cpu time spent up to now is 14.2 secs Computing kpt #: 58 total cpu time spent up to now is 14.4 secs Computing kpt #: 59 total cpu time spent up to now is 14.6 secs Computing kpt #: 60 total cpu time spent up to now is 14.8 secs Computing kpt #: 61 total cpu time spent up to now is 15.0 secs Computing kpt #: 62 total cpu time spent up to now is 15.2 secs Computing kpt #: 63 total cpu time spent up to now is 15.4 secs Computing kpt #: 64 total cpu time spent up to now is 15.6 secs Computing kpt #: 65 total cpu time spent up to now is 15.9 secs Computing kpt #: 66 total cpu time spent up to now is 16.1 secs Computing kpt #: 67 total cpu time spent up to now is 16.3 secs Computing kpt #: 68 total cpu time spent up to now is 16.5 secs Computing kpt #: 69 total cpu time spent up to now is 16.7 secs Computing kpt #: 70 total cpu time spent up to now is 17.0 secs Computing kpt #: 71 total cpu time spent up to now is 17.2 secs Computing kpt #: 72 total cpu time spent up to now is 17.4 secs Computing kpt #: 73 total cpu time spent up to now is 17.6 secs Computing kpt #: 74 total cpu time spent up to now is 17.8 secs Computing kpt #: 75 total cpu time spent up to now is 18.0 secs Computing kpt #: 76 total cpu time spent up to now is 18.3 secs Computing kpt #: 77 total cpu time spent up to now is 18.5 secs Computing kpt #: 78 total cpu time spent up to now is 18.7 secs Computing kpt #: 79 total cpu time spent up to now is 18.9 secs Computing kpt #: 80 total cpu time spent up to now is 19.1 secs Computing kpt #: 81 total cpu time spent up to now is 19.3 secs Computing kpt #: 82 total cpu time spent up to now is 19.5 secs Computing kpt #: 83 total cpu time spent up to now is 19.7 secs Computing kpt #: 84 total cpu time spent up to now is 19.9 secs Computing kpt #: 85 total cpu time spent up to now is 20.1 secs Computing kpt #: 86 total cpu time spent up to now is 20.3 secs Computing kpt #: 87 total cpu time spent up to now is 20.5 secs Computing kpt #: 88 total cpu time spent up to now is 20.7 secs Computing kpt #: 89 total cpu time spent up to now is 20.9 secs Computing kpt #: 90 total cpu time spent up to now is 21.1 secs Computing kpt #: 91 total cpu time spent up to now is 21.3 secs Computing kpt #: 92 total cpu time spent up to now is 21.6 secs Computing kpt #: 93 total cpu time spent up to now is 21.8 secs Computing kpt #: 94 total cpu time spent up to now is 22.0 secs Computing kpt #: 95 total cpu time spent up to now is 22.3 secs Computing kpt #: 96 total cpu time spent up to now is 22.6 secs Computing kpt #: 97 total cpu time spent up to now is 22.9 secs Computing kpt #: 98 total cpu time spent up to now is 23.1 secs Computing kpt #: 99 total cpu time spent up to now is 23.3 secs Computing kpt #: 100 total cpu time spent up to now is 23.5 secs Computing kpt #: 101 total cpu time spent up to now is 23.7 secs Computing kpt #: 102 total cpu time spent up to now is 23.8 secs Computing kpt #: 103 total cpu time spent up to now is 24.0 secs Computing kpt #: 104 total cpu time spent up to now is 24.2 secs Computing kpt #: 105 total cpu time spent up to now is 24.4 secs Computing kpt #: 106 total cpu time spent up to now is 24.5 secs Computing kpt #: 107 total cpu time spent up to now is 24.7 secs Computing kpt #: 108 total cpu time spent up to now is 24.9 secs Computing kpt #: 109 total cpu time spent up to now is 25.0 secs Computing kpt #: 110 total cpu time spent up to now is 25.2 secs Computing kpt #: 111 total cpu time spent up to now is 25.4 secs Computing kpt #: 112 total cpu time spent up to now is 25.5 secs Computing kpt #: 113 total cpu time spent up to now is 25.7 secs Computing kpt #: 114 total cpu time spent up to now is 25.9 secs Computing kpt #: 115 total cpu time spent up to now is 26.0 secs Computing kpt #: 116 total cpu time spent up to now is 26.2 secs Computing kpt #: 117 total cpu time spent up to now is 26.3 secs Computing kpt #: 118 total cpu time spent up to now is 26.5 secs Computing kpt #: 119 total cpu time spent up to now is 26.7 secs Computing kpt #: 120 total cpu time spent up to now is 26.8 secs Computing kpt #: 121 total cpu time spent up to now is 27.0 secs Computing kpt #: 122 total cpu time spent up to now is 27.2 secs Computing kpt #: 123 total cpu time spent up to now is 27.4 secs Computing kpt #: 124 total cpu time spent up to now is 27.5 secs Computing kpt #: 125 total cpu time spent up to now is 27.7 secs Computing kpt #: 126 total cpu time spent up to now is 27.9 secs Computing kpt #: 127 total cpu time spent up to now is 28.1 secs Computing kpt #: 128 total cpu time spent up to now is 28.3 secs Computing kpt #: 129 total cpu time spent up to now is 28.4 secs Computing kpt #: 130 total cpu time spent up to now is 28.6 secs Computing kpt #: 131 total cpu time spent up to now is 28.8 secs Computing kpt #: 132 total cpu time spent up to now is 29.0 secs Computing kpt #: 133 total cpu time spent up to now is 29.2 secs Computing kpt #: 134 total cpu time spent up to now is 29.4 secs Computing kpt #: 135 total cpu time spent up to now is 29.6 secs Computing kpt #: 136 total cpu time spent up to now is 29.8 secs Computing kpt #: 137 total cpu time spent up to now is 30.0 secs Computing kpt #: 138 total cpu time spent up to now is 30.2 secs Computing kpt #: 139 total cpu time spent up to now is 30.4 secs Computing kpt #: 140 total cpu time spent up to now is 30.6 secs Computing kpt #: 141 total cpu time spent up to now is 30.8 secs Computing kpt #: 142 total cpu time spent up to now is 31.0 secs Computing kpt #: 143 total cpu time spent up to now is 31.2 secs Computing kpt #: 144 total cpu time spent up to now is 31.4 secs Computing kpt #: 145 total cpu time spent up to now is 31.7 secs Computing kpt #: 146 total cpu time spent up to now is 31.9 secs Computing kpt #: 147 total cpu time spent up to now is 32.1 secs Computing kpt #: 148 total cpu time spent up to now is 32.3 secs Computing kpt #: 149 total cpu time spent up to now is 32.6 secs Computing kpt #: 150 total cpu time spent up to now is 32.8 secs Computing kpt #: 151 total cpu time spent up to now is 33.1 secs Computing kpt #: 152 total cpu time spent up to now is 33.3 secs Computing kpt #: 153 total cpu time spent up to now is 33.5 secs Computing kpt #: 154 total cpu time spent up to now is 33.8 secs Computing kpt #: 155 total cpu time spent up to now is 34.0 secs Computing kpt #: 156 total cpu time spent up to now is 34.2 secs Computing kpt #: 157 total cpu time spent up to now is 34.5 secs Computing kpt #: 158 total cpu time spent up to now is 34.7 secs Computing kpt #: 159 total cpu time spent up to now is 34.9 secs Computing kpt #: 160 total cpu time spent up to now is 35.2 secs Computing kpt #: 161 total cpu time spent up to now is 35.4 secs Computing kpt #: 162 total cpu time spent up to now is 35.6 secs Computing kpt #: 163 total cpu time spent up to now is 36.0 secs Computing kpt #: 164 total cpu time spent up to now is 36.2 secs Computing kpt #: 165 total cpu time spent up to now is 36.5 secs Computing kpt #: 166 total cpu time spent up to now is 36.7 secs Computing kpt #: 167 total cpu time spent up to now is 36.9 secs Computing kpt #: 168 total cpu time spent up to now is 37.2 secs Computing kpt #: 169 total cpu time spent up to now is 37.4 secs Computing kpt #: 170 total cpu time spent up to now is 37.6 secs Computing kpt #: 171 total cpu time spent up to now is 37.9 secs Computing kpt #: 172 total cpu time spent up to now is 38.1 secs Computing kpt #: 173 total cpu time spent up to now is 38.3 secs Computing kpt #: 174 total cpu time spent up to now is 38.6 secs Computing kpt #: 175 total cpu time spent up to now is 38.8 secs Computing kpt #: 176 total cpu time spent up to now is 39.0 secs Computing kpt #: 177 total cpu time spent up to now is 39.2 secs Computing kpt #: 178 total cpu time spent up to now is 39.5 secs Computing kpt #: 179 total cpu time spent up to now is 39.7 secs Computing kpt #: 180 total cpu time spent up to now is 39.9 secs Computing kpt #: 181 total cpu time spent up to now is 40.2 secs Computing kpt #: 182 total cpu time spent up to now is 40.4 secs Computing kpt #: 183 total cpu time spent up to now is 40.6 secs Computing kpt #: 184 total cpu time spent up to now is 40.8 secs Computing kpt #: 185 total cpu time spent up to now is 41.0 secs Computing kpt #: 186 total cpu time spent up to now is 41.2 secs Computing kpt #: 187 total cpu time spent up to now is 41.5 secs Computing kpt #: 188 total cpu time spent up to now is 41.7 secs Computing kpt #: 189 total cpu time spent up to now is 41.9 secs Computing kpt #: 190 total cpu time spent up to now is 42.1 secs Computing kpt #: 191 total cpu time spent up to now is 42.3 secs Computing kpt #: 192 total cpu time spent up to now is 42.6 secs Computing kpt #: 193 total cpu time spent up to now is 42.8 secs Computing kpt #: 194 total cpu time spent up to now is 43.0 secs Computing kpt #: 195 total cpu time spent up to now is 43.2 secs Computing kpt #: 196 total cpu time spent up to now is 43.4 secs Computing kpt #: 197 total cpu time spent up to now is 43.6 secs Computing kpt #: 198 total cpu time spent up to now is 43.8 secs Computing kpt #: 199 total cpu time spent up to now is 44.0 secs Computing kpt #: 200 total cpu time spent up to now is 44.2 secs Computing kpt #: 201 total cpu time spent up to now is 44.4 secs Computing kpt #: 202 total cpu time spent up to now is 44.6 secs Computing kpt #: 203 total cpu time spent up to now is 44.7 secs Computing kpt #: 204 total cpu time spent up to now is 44.9 secs Computing kpt #: 205 total cpu time spent up to now is 45.1 secs Computing kpt #: 206 total cpu time spent up to now is 45.3 secs Computing kpt #: 207 total cpu time spent up to now is 45.4 secs Computing kpt #: 208 total cpu time spent up to now is 45.6 secs Computing kpt #: 209 total cpu time spent up to now is 45.8 secs Computing kpt #: 210 total cpu time spent up to now is 45.9 secs Computing kpt #: 211 total cpu time spent up to now is 46.1 secs Computing kpt #: 212 total cpu time spent up to now is 46.2 secs Computing kpt #: 213 total cpu time spent up to now is 46.4 secs Computing kpt #: 214 total cpu time spent up to now is 46.6 secs Computing kpt #: 215 total cpu time spent up to now is 46.7 secs Computing kpt #: 216 total cpu time spent up to now is 46.9 secs Computing kpt #: 217 total cpu time spent up to now is 47.0 secs Computing kpt #: 218 total cpu time spent up to now is 47.2 secs Computing kpt #: 219 total cpu time spent up to now is 47.3 secs Computing kpt #: 220 total cpu time spent up to now is 47.5 secs Computing kpt #: 221 total cpu time spent up to now is 47.6 secs Computing kpt #: 222 total cpu time spent up to now is 47.8 secs Computing kpt #: 223 total cpu time spent up to now is 47.9 secs Computing kpt #: 224 total cpu time spent up to now is 48.0 secs Computing kpt #: 225 total cpu time spent up to now is 48.2 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 48.6 secs Computing kpt #: 229 total cpu time spent up to now is 48.8 secs Computing kpt #: 230 total cpu time spent up to now is 49.0 secs Computing kpt #: 231 total cpu time spent up to now is 49.1 secs Computing kpt #: 232 total cpu time spent up to now is 49.3 secs Computing kpt #: 233 total cpu time spent up to now is 49.5 secs Computing kpt #: 234 total cpu time spent up to now is 49.6 secs Computing kpt #: 235 total cpu time spent up to now is 49.8 secs Computing kpt #: 236 total cpu time spent up to now is 50.0 secs Computing kpt #: 237 total cpu time spent up to now is 50.2 secs Computing kpt #: 238 total cpu time spent up to now is 50.4 secs Computing kpt #: 239 total cpu time spent up to now is 50.6 secs Computing kpt #: 240 total cpu time spent up to now is 50.8 secs Computing kpt #: 241 total cpu time spent up to now is 51.0 secs Computing kpt #: 242 total cpu time spent up to now is 51.2 secs Computing kpt #: 243 total cpu time spent up to now is 51.4 secs Computing kpt #: 244 total cpu time spent up to now is 51.7 secs Computing kpt #: 245 total cpu time spent up to now is 51.9 secs Computing kpt #: 246 total cpu time spent up to now is 52.1 secs Computing kpt #: 247 total cpu time spent up to now is 52.4 secs Computing kpt #: 248 total cpu time spent up to now is 52.6 secs Computing kpt #: 249 total cpu time spent up to now is 52.8 secs Computing kpt #: 250 total cpu time spent up to now is 53.0 secs Computing kpt #: 251 total cpu time spent up to now is 53.2 secs Computing kpt #: 252 total cpu time spent up to now is 53.4 secs Computing kpt #: 253 total cpu time spent up to now is 53.6 secs Computing kpt #: 254 total cpu time spent up to now is 53.8 secs Computing kpt #: 255 total cpu time spent up to now is 54.0 secs Computing kpt #: 256 total cpu time spent up to now is 54.2 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 54.7 secs Computing kpt #: 260 total cpu time spent up to now is 54.9 secs Computing kpt #: 261 total cpu time spent up to now is 55.1 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 55.4 secs Computing kpt #: 264 total cpu time spent up to now is 55.6 secs Computing kpt #: 265 total cpu time spent up to now is 55.8 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 56.3 secs Computing kpt #: 269 total cpu time spent up to now is 56.5 secs Computing kpt #: 270 total cpu time spent up to now is 56.7 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 57.8 secs Computing kpt #: 276 total cpu time spent up to now is 58.0 secs Computing kpt #: 277 total cpu time spent up to now is 58.2 secs Computing kpt #: 278 total cpu time spent up to now is 58.4 secs Computing kpt #: 279 total cpu time spent up to now is 58.7 secs Computing kpt #: 280 total cpu time spent up to now is 58.9 secs Computing kpt #: 281 total cpu time spent up to now is 59.1 secs Computing kpt #: 282 total cpu time spent up to now is 59.4 secs Computing kpt #: 283 total cpu time spent up to now is 59.6 secs Computing kpt #: 284 total cpu time spent up to now is 59.8 secs Computing kpt #: 285 total cpu time spent up to now is 60.1 secs Computing kpt #: 286 total cpu time spent up to now is 60.3 secs Computing kpt #: 287 total cpu time spent up to now is 60.6 secs Computing kpt #: 288 total cpu time spent up to now is 60.8 secs Computing kpt #: 289 total cpu time spent up to now is 61.1 secs Computing kpt #: 290 total cpu time spent up to now is 61.3 secs Computing kpt #: 291 total cpu time spent up to now is 61.5 secs Computing kpt #: 292 total cpu time spent up to now is 61.7 secs Computing kpt #: 293 total cpu time spent up to now is 61.9 secs Computing kpt #: 294 total cpu time spent up to now is 62.1 secs Computing kpt #: 295 total cpu time spent up to now is 62.3 secs Computing kpt #: 296 total cpu time spent up to now is 62.5 secs Computing kpt #: 297 total cpu time spent up to now is 62.7 secs Computing kpt #: 298 total cpu time spent up to now is 62.9 secs Computing kpt #: 299 total cpu time spent up to now is 63.0 secs Computing kpt #: 300 total cpu time spent up to now is 63.2 secs Computing kpt #: 301 total cpu time spent up to now is 63.4 secs Computing kpt #: 302 total cpu time spent up to now is 63.6 secs Computing kpt #: 303 total cpu time spent up to now is 63.8 secs Computing kpt #: 304 total cpu time spent up to now is 64.0 secs Computing kpt #: 305 total cpu time spent up to now is 64.2 secs Computing kpt #: 306 total cpu time spent up to now is 64.4 secs Computing kpt #: 307 total cpu time spent up to now is 64.6 secs Computing kpt #: 308 total cpu time spent up to now is 64.7 secs Computing kpt #: 309 total cpu time spent up to now is 64.9 secs Computing kpt #: 310 total cpu time spent up to now is 65.1 secs Computing kpt #: 311 total cpu time spent up to now is 65.3 secs Computing kpt #: 312 total cpu time spent up to now is 65.6 secs Computing kpt #: 313 total cpu time spent up to now is 65.8 secs Computing kpt #: 314 total cpu time spent up to now is 66.0 secs Computing kpt #: 315 total cpu time spent up to now is 66.2 secs Computing kpt #: 316 total cpu time spent up to now is 66.4 secs Computing kpt #: 317 total cpu time spent up to now is 66.6 secs Computing kpt #: 318 total cpu time spent up to now is 66.8 secs Computing kpt #: 319 total cpu time spent up to now is 67.0 secs Computing kpt #: 320 total cpu time spent up to now is 67.3 secs Computing kpt #: 321 total cpu time spent up to now is 67.5 secs Computing kpt #: 322 total cpu time spent up to now is 67.7 secs Computing kpt #: 323 total cpu time spent up to now is 67.9 secs Computing kpt #: 324 total cpu time spent up to now is 68.1 secs Computing kpt #: 325 total cpu time spent up to now is 68.3 secs Computing kpt #: 326 total cpu time spent up to now is 68.5 secs Computing kpt #: 327 total cpu time spent up to now is 68.7 secs Computing kpt #: 328 total cpu time spent up to now is 68.9 secs Computing kpt #: 329 total cpu time spent up to now is 69.1 secs Computing kpt #: 330 total cpu time spent up to now is 69.3 secs Computing kpt #: 331 total cpu time spent up to now is 69.4 secs Computing kpt #: 332 total cpu time spent up to now is 69.6 secs Computing kpt #: 333 total cpu time spent up to now is 69.8 secs Computing kpt #: 334 total cpu time spent up to now is 70.0 secs Computing kpt #: 335 total cpu time spent up to now is 70.2 secs Computing kpt #: 336 total cpu time spent up to now is 70.4 secs Computing kpt #: 337 total cpu time spent up to now is 70.5 secs Computing kpt #: 338 total cpu time spent up to now is 70.7 secs Computing kpt #: 339 total cpu time spent up to now is 70.8 secs Computing kpt #: 340 total cpu time spent up to now is 71.0 secs Computing kpt #: 341 total cpu time spent up to now is 71.2 secs Computing kpt #: 342 total cpu time spent up to now is 71.3 secs Computing kpt #: 343 total cpu time spent up to now is 71.5 secs Computing kpt #: 344 total cpu time spent up to now is 71.6 secs Computing kpt #: 345 total cpu time spent up to now is 71.8 secs Computing kpt #: 346 total cpu time spent up to now is 71.9 secs Computing kpt #: 347 total cpu time spent up to now is 72.1 secs Computing kpt #: 348 total cpu time spent up to now is 72.2 secs Computing kpt #: 349 total cpu time spent up to now is 72.4 secs Computing kpt #: 350 total cpu time spent up to now is 72.5 secs Computing kpt #: 351 total cpu time spent up to now is 72.7 secs Computing kpt #: 352 total cpu time spent up to now is 72.8 secs Computing kpt #: 353 total cpu time spent up to now is 73.0 secs Computing kpt #: 354 total cpu time spent up to now is 73.2 secs Computing kpt #: 355 total cpu time spent up to now is 73.4 secs Computing kpt #: 356 total cpu time spent up to now is 73.6 secs Computing kpt #: 357 total cpu time spent up to now is 73.8 secs Computing kpt #: 358 total cpu time spent up to now is 74.0 secs Computing kpt #: 359 total cpu time spent up to now is 74.2 secs Computing kpt #: 360 total cpu time spent up to now is 74.4 secs Computing kpt #: 361 total cpu time spent up to now is 74.6 secs Computing kpt #: 362 total cpu time spent up to now is 74.8 secs Computing kpt #: 363 total cpu time spent up to now is 75.0 secs Computing kpt #: 364 total cpu time spent up to now is 75.2 secs Computing kpt #: 365 total cpu time spent up to now is 75.4 secs Computing kpt #: 366 total cpu time spent up to now is 75.5 secs Computing kpt #: 367 total cpu time spent up to now is 75.7 secs Computing kpt #: 368 total cpu time spent up to now is 75.9 secs Computing kpt #: 369 total cpu time spent up to now is 76.1 secs Computing kpt #: 370 total cpu time spent up to now is 76.3 secs Computing kpt #: 371 total cpu time spent up to now is 76.5 secs Computing kpt #: 372 total cpu time spent up to now is 76.6 secs Computing kpt #: 373 total cpu time spent up to now is 76.8 secs Computing kpt #: 374 total cpu time spent up to now is 77.0 secs Computing kpt #: 375 total cpu time spent up to now is 77.2 secs Computing kpt #: 376 total cpu time spent up to now is 77.4 secs Computing kpt #: 377 total cpu time spent up to now is 77.5 secs Computing kpt #: 378 total cpu time spent up to now is 77.7 secs Computing kpt #: 379 total cpu time spent up to now is 77.9 secs Computing kpt #: 380 total cpu time spent up to now is 78.1 secs Computing kpt #: 381 total cpu time spent up to now is 78.2 secs Computing kpt #: 382 total cpu time spent up to now is 78.4 secs ethr = 3.57E-08, avg # of iterations = 15.7 total cpu time spent up to now is 78.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2799 PWs) bands (ev): -9.6747 -9.6747 -4.0062 -4.0062 0.5393 0.5393 0.7414 0.7414 0.9516 0.9516 3.8866 3.8866 5.9565 5.9565 5.9577 5.9577 6.0983 6.0983 6.6959 6.6959 6.7046 6.7046 6.9933 6.9933 7.1681 7.1681 7.8065 7.8065 8.1600 8.1600 8.1894 8.1894 10.5340 10.5340 10.8684 10.8684 k = 0.0000 0.0119-0.0000 ( 2799 PWs) bands (ev): -9.6734 -9.6734 -4.0104 -4.0104 0.5416 0.5416 0.7436 0.7436 0.9529 0.9529 3.8863 3.8863 5.9401 5.9401 5.9707 5.9707 6.0974 6.0974 6.6942 6.6942 6.7068 6.7068 6.9944 6.9944 7.1675 7.1675 7.8070 7.8070 8.1604 8.1604 8.1898 8.1898 10.5297 10.5297 10.8563 10.8563 k = 0.0000 0.0238-0.0000 ( 2807 PWs) bands (ev): -9.6697 -9.6697 -4.0230 -4.0230 0.5484 0.5484 0.7503 0.7503 0.9569 0.9569 3.8857 3.8857 5.9208 5.9208 5.9788 5.9788 6.0959 6.0959 6.6908 6.6908 6.7113 6.7113 6.9979 6.9979 7.1658 7.1658 7.8083 7.8083 8.1616 8.1616 8.1910 8.1910 10.5168 10.5168 10.8321 10.8321 k = 0.0000 0.0357-0.0000 ( 2807 PWs) bands (ev): -9.6634 -9.6634 -4.0438 -4.0438 0.5594 0.5594 0.7615 0.7615 0.9636 0.9636 3.8845 3.8845 5.8996 5.8996 5.9786 5.9786 6.0964 6.0964 6.6868 6.6868 6.7173 6.7173 7.0037 7.0037 7.1629 7.1629 7.8105 7.8105 8.1633 8.1633 8.1934 8.1934 10.4951 10.4951 10.7988 10.7988 k = 0.0000 0.0476-0.0000 ( 2809 PWs) bands (ev): -9.6547 -9.6547 -4.0726 -4.0726 0.5743 0.5743 0.7775 0.7775 0.9730 0.9730 3.8829 3.8829 5.8766 5.8766 5.9680 5.9680 6.1014 6.1014 6.6823 6.6823 6.7242 6.7242 7.0118 7.0118 7.1590 7.1590 7.8137 7.8137 8.1650 8.1650 8.1971 8.1971 10.4647 10.4647 10.7576 10.7576 k = 0.0000 0.0595-0.0000 ( 2805 PWs) bands (ev): -9.6435 -9.6435 -4.1091 -4.1091 0.5925 0.5925 0.7984 0.7984 0.9852 0.9852 3.8807 3.8807 5.8513 5.8513 5.9478 5.9478 6.1108 6.1108 6.6771 6.6771 6.7319 6.7319 7.0221 7.0221 7.1541 7.1541 7.8178 7.8178 8.1666 8.1666 8.2026 8.2026 10.4252 10.4252 10.7097 10.7097 k = 0.0000 0.0714-0.0000 ( 2809 PWs) bands (ev): -9.6298 -9.6298 -4.1529 -4.1529 0.6137 0.6137 0.8243 0.8243 1.0002 1.0002 3.8780 3.8780 5.8229 5.8229 5.9206 5.9206 6.1232 6.1232 6.6711 6.6711 6.7400 6.7400 7.0347 7.0347 7.1482 7.1482 7.8227 7.8227 8.1676 8.1676 8.2099 8.2099 10.3765 10.3765 10.6566 10.6566 k = 0.0000 0.0833-0.0000 ( 2809 PWs) bands (ev): -9.6136 -9.6136 -4.2038 -4.2038 0.6373 0.6373 0.8552 0.8552 1.0183 1.0183 3.8746 3.8746 5.7902 5.7902 5.8895 5.8895 6.1374 6.1374 6.6644 6.6644 6.7482 6.7482 7.0496 7.0496 7.1414 7.1414 7.8283 7.8283 8.1682 8.1682 8.2190 8.2190 10.3183 10.3183 10.5997 10.5997 k = 0.0000 0.0952-0.0000 ( 2815 PWs) bands (ev): -9.5949 -9.5949 -4.2612 -4.2612 0.6630 0.6630 0.8909 0.8909 1.0396 1.0396 3.8704 3.8704 5.7515 5.7515 5.8570 5.8570 6.1525 6.1525 6.6569 6.6569 6.7565 6.7565 7.0666 7.0666 7.1337 7.1337 7.8347 7.8347 8.1682 8.1682 8.2299 8.2299 10.2505 10.2505 10.5404 10.5404 k = 0.0000 0.1071-0.0000 ( 2821 PWs) bands (ev): -9.5737 -9.5737 -4.3248 -4.3248 0.6905 0.6905 0.9307 0.9307 1.0646 1.0646 3.8654 3.8654 5.7059 5.7059 5.8252 5.8252 6.1682 6.1682 6.6487 6.6487 6.7644 6.7644 7.0856 7.0856 7.1253 7.1253 7.8417 7.8417 8.1679 8.1679 8.2423 8.2423 10.1737 10.1737 10.4798 10.4798 k = 0.0000 0.1190-0.0000 ( 2817 PWs) bands (ev): -9.5501 -9.5501 -4.3939 -4.3939 0.7196 0.7196 0.9738 0.9738 1.0941 1.0941 3.8595 3.8595 5.6531 5.6531 5.7947 5.7947 6.1843 6.1843 6.6398 6.6398 6.7720 6.7720 7.1067 7.1067 7.1163 7.1163 7.8492 7.8492 8.1674 8.1674 8.2561 8.2561 10.0886 10.0886 10.4185 10.4185 k = 0.0000 0.1310-0.0000 ( 2813 PWs) bands (ev): -9.5240 -9.5240 -4.4683 -4.4683 0.7505 0.7505 1.0187 1.0187 1.1290 1.1290 3.8527 3.8527 5.5938 5.5938 5.7651 5.7651 6.2008 6.2008 6.6303 6.6303 6.7792 6.7792 7.1067 7.1067 7.1297 7.1297 7.8570 7.8570 8.1669 8.1669 8.2711 8.2711 9.9963 9.9963 10.3567 10.3567 k = 0.0000 0.1429-0.0000 ( 2809 PWs) bands (ev): -9.4955 -9.4955 -4.5473 -4.5473 0.7830 0.7830 1.0635 1.0635 1.1710 1.1710 3.8446 3.8446 5.5288 5.5288 5.7359 5.7359 6.2177 6.2177 6.6202 6.6202 6.7857 6.7857 7.0967 7.0967 7.1543 7.1543 7.8649 7.8649 8.1664 8.1664 8.2872 8.2872 9.8979 9.8979 10.2946 10.2946 k = 0.0000 0.1548-0.0000 ( 2803 PWs) bands (ev): -9.4645 -9.4645 -4.6306 -4.6306 0.8173 0.8173 1.1068 1.1068 1.2207 1.2207 3.8354 3.8354 5.4590 5.4590 5.7064 5.7064 6.2352 6.2352 6.6095 6.6095 6.7918 6.7918 7.0862 7.0862 7.1805 7.1805 7.8725 7.8725 8.1663 8.1663 8.3044 8.3044 9.7950 9.7950 10.2319 10.2319 k = 0.0000 0.1667-0.0000 ( 2803 PWs) bands (ev): -9.4311 -9.4311 -4.7178 -4.7178 0.8534 0.8534 1.1485 1.1485 1.2781 1.2781 3.8248 3.8248 5.3849 5.3849 5.6761 5.6761 6.2533 6.2533 6.5985 6.5985 6.7972 6.7972 7.0754 7.0754 7.2079 7.2079 7.8795 7.8795 8.1666 8.1666 8.3224 8.3224 9.6888 9.6888 10.1685 10.1685 k = 0.0000 0.1786-0.0000 ( 2809 PWs) bands (ev): -9.3953 -9.3953 -4.8084 -4.8084 0.8915 0.8915 1.1895 1.1895 1.3419 1.3419 3.8126 3.8126 5.3070 5.3070 5.6446 5.6446 6.2722 6.2722 6.5871 6.5871 6.8020 6.8020 7.0643 7.0643 7.2362 7.2362 7.8855 7.8855 8.1677 8.1677 8.3413 8.3413 9.5804 9.5804 10.1044 10.1044 k = 0.0000 0.1905-0.0000 ( 2801 PWs) bands (ev): -9.3570 -9.3570 -4.9020 -4.9020 0.9315 0.9315 1.2305 1.2305 1.4109 1.4109 3.7990 3.7990 5.2257 5.2257 5.6119 5.6119 6.2920 6.2920 6.5756 6.5756 6.8063 6.8063 7.0532 7.0532 7.2650 7.2650 7.8900 7.8900 8.1700 8.1700 8.3610 8.3610 9.4713 9.4713 10.0395 10.0395 k = 0.0000 0.2024-0.0000 ( 2799 PWs) bands (ev): -9.3164 -9.3164 -4.9984 -4.9984 0.9736 0.9736 1.2723 1.2723 1.4841 1.4841 3.7836 3.7836 5.1413 5.1413 5.5774 5.5774 6.3129 6.3129 6.5640 6.5640 6.8100 6.8100 7.0419 7.0419 7.2939 7.2939 7.8928 7.8928 8.1737 8.1737 8.3813 8.3813 9.3626 9.3626 9.9740 9.9740 k = 0.0000 0.2143-0.0000 ( 2801 PWs) bands (ev): -9.2734 -9.2734 -5.0970 -5.0970 1.0178 1.0178 1.3154 1.3154 1.5607 1.5607 3.7665 3.7665 5.0541 5.0541 5.5409 5.5409 6.3351 6.3351 6.5525 6.5525 6.8132 6.8132 7.0305 7.0305 7.3222 7.3222 7.8932 7.8932 8.1792 8.1792 8.4023 8.4023 9.2555 9.2555 9.9082 9.9082 k = 0.0000 0.2262-0.0000 ( 2801 PWs) bands (ev): -9.2280 -9.2280 -5.1977 -5.1977 1.0641 1.0641 1.3598 1.3598 1.6402 1.6402 3.7475 3.7475 4.9646 4.9646 5.5023 5.5023 6.3585 6.3585 6.5414 6.5414 6.8158 6.8158 7.0191 7.0191 7.3492 7.3492 7.8911 7.8911 8.1865 8.1865 8.4238 8.4238 9.1516 9.1516 9.8423 9.8423 k = 0.0000 0.2381-0.0000 ( 2801 PWs) bands (ev): -9.1802 -9.1802 -5.3001 -5.3001 1.1125 1.1125 1.4057 1.4057 1.7223 1.7223 3.7265 3.7265 4.8728 4.8728 5.4614 5.4614 6.3831 6.3831 6.5308 6.5308 6.8181 6.8181 7.0079 7.0079 7.3738 7.3738 7.8864 7.8864 8.1958 8.1958 8.4459 8.4459 9.0523 9.0523 9.7769 9.7769 k = 0.0000 0.2500-0.0000 ( 2801 PWs) bands (ev): -9.1301 -9.1301 -5.4039 -5.4039 1.1631 1.1631 1.4533 1.4533 1.8067 1.8067 3.7035 3.7035 4.7790 4.7790 5.4182 5.4182 6.4086 6.4086 6.5213 6.5213 6.8200 6.8200 6.9968 6.9968 7.3949 7.3949 7.8789 7.8789 8.2070 8.2070 8.4684 8.4684 8.9593 8.9593 9.7123 9.7123 k = 0.0000 0.2619-0.0000 ( 2797 PWs) bands (ev): -9.0777 -9.0777 -5.5089 -5.5089 1.2158 1.2158 1.5024 1.5024 1.8931 1.8931 3.6784 3.6784 4.6837 4.6837 5.3723 5.3723 6.4343 6.4343 6.5138 6.5138 6.8216 6.8216 6.9859 6.9859 7.4111 7.4111 7.8687 7.8687 8.2199 8.2199 8.4913 8.4913 8.8745 8.8745 9.6491 9.6491 k = 0.0000 0.2738-0.0000 ( 2797 PWs) bands (ev): -9.0230 -9.0230 -5.6149 -5.6149 1.2706 1.2706 1.5531 1.5531 1.9814 1.9814 3.6510 3.6510 4.5868 4.5868 5.3238 5.3238 6.4568 6.4568 6.5118 6.5118 6.8229 6.8229 6.9752 6.9752 7.4208 7.4208 7.8559 7.8559 8.2345 8.2345 8.5146 8.5146 8.7998 8.7998 9.5876 9.5876 k = 0.0000 0.2857-0.0000 ( 2797 PWs) bands (ev): -8.9660 -8.9660 -5.7216 -5.7216 1.3276 1.3276 1.6053 1.6053 2.0713 2.0713 3.6215 3.6215 4.4887 4.4887 5.2725 5.2725 6.4683 6.4683 6.5233 6.5233 6.8239 6.8239 6.9647 6.9647 7.4225 7.4225 7.8407 7.8407 8.2505 8.2505 8.5383 8.5383 8.7373 8.7373 9.5282 9.5282 k = 0.0000 0.2976-0.0000 ( 2797 PWs) bands (ev): -8.9068 -8.9068 -5.8287 -5.8287 1.3868 1.3868 1.6589 1.6589 2.1628 2.1628 3.5898 3.5898 4.3896 4.3896 5.2183 5.2183 6.4682 6.4682 6.5489 6.5489 6.8247 6.8247 6.9545 6.9545 7.4147 7.4147 7.8232 7.8232 8.2677 8.2677 8.5623 8.5623 8.6887 8.6887 9.4712 9.4712 k = 0.0000 0.3095-0.0000 ( 2806 PWs) bands (ev): -8.8453 -8.8453 -5.9362 -5.9362 1.4480 1.4480 1.7140 1.7140 2.2557 2.2557 3.5557 3.5557 4.2897 4.2897 5.1612 5.1612 6.4643 6.4643 6.5809 6.5809 6.8253 6.8253 6.9444 6.9444 7.3965 7.3965 7.8036 7.8036 8.2859 8.2859 8.5864 8.5864 8.6551 8.6551 9.4170 9.4170 k = 0.0000 0.3214-0.0000 ( 2808 PWs) bands (ev): -8.7816 -8.7816 -6.0438 -6.0438 1.5113 1.5113 1.7704 1.7704 2.3498 2.3498 3.5195 3.5195 4.1892 4.1892 5.1011 5.1011 6.4600 6.4600 6.6160 6.6160 6.8259 6.8259 6.9348 6.9348 7.3681 7.3681 7.7820 7.7820 8.3049 8.3049 8.6103 8.6103 8.6374 8.6374 9.3659 9.3659 k = 0.0000 0.3333-0.0000 ( 2806 PWs) bands (ev): -8.7157 -8.7157 -6.1514 -6.1514 1.5767 1.5767 1.8280 1.8280 2.4450 2.4450 3.4812 3.4812 4.0883 4.0883 5.0380 5.0380 6.4563 6.4563 6.6530 6.6530 6.8264 6.8264 6.9256 6.9256 7.3303 7.3303 7.7584 7.7584 8.3247 8.3247 8.6277 8.6277 8.6407 8.6407 9.3184 9.3184 k = 0.0000 0.3452-0.0000 ( 2814 PWs) bands (ev): -8.6477 -8.6477 -6.2588 -6.2588 1.6441 1.6441 1.8868 1.8868 2.5411 2.5411 3.4408 3.4408 3.9871 3.9871 4.9718 4.9718 6.4538 6.4538 6.6915 6.6915 6.8269 6.8269 6.9166 6.9166 7.2847 7.2847 7.7330 7.7330 8.3452 8.3452 8.6385 8.6385 8.6634 8.6634 9.2752 9.2752 k = 0.0000 0.3571-0.0000 ( 2806 PWs) bands (ev): -8.5775 -8.5775 -6.3658 -6.3658 1.7135 1.7135 1.9466 1.9466 2.6378 2.6378 3.3985 3.3985 3.8860 3.8860 4.9026 4.9026 6.4529 6.4529 6.7309 6.7309 6.8276 6.8276 6.9082 6.9082 7.2334 7.2334 7.7058 7.7058 8.3661 8.3661 8.6574 8.6574 8.6884 8.6884 9.2373 9.2373 k = 0.0000 0.3690-0.0000 ( 2806 PWs) bands (ev): -8.5052 -8.5052 -6.4723 -6.4723 1.7849 1.7849 2.0073 2.0073 2.7348 2.7348 3.3547 3.3547 3.7851 3.7851 4.8304 4.8304 6.4535 6.4535 6.7705 6.7705 6.8290 6.8290 6.9000 6.9000 7.1785 7.1785 7.6768 7.6768 8.3876 8.3876 8.6829 8.6829 8.7139 8.7139 9.2061 9.2061 k = 0.0000 0.3810-0.0000 ( 2810 PWs) bands (ev): -8.4308 -8.4308 -6.5783 -6.5783 1.8582 1.8582 2.0688 2.0688 2.8312 2.8312 3.3101 3.3101 3.6845 3.6845 4.7551 4.7551 6.4560 6.4560 6.8070 6.8070 6.8337 6.8337 6.8921 6.8921 7.1223 7.1223 7.6462 7.6462 8.4094 8.4094 8.7114 8.7114 8.7395 8.7395 9.1839 9.1839 k = 0.0000 0.3929-0.0000 ( 2806 PWs) bands (ev): -8.3544 -8.3544 -6.6835 -6.6835 1.9333 1.9333 2.1310 2.1310 2.9253 2.9253 3.2663 3.2663 3.5847 3.5847 4.6769 4.6769 6.4606 6.4606 6.8232 6.8232 6.8578 6.8578 6.8848 6.8848 7.0674 7.0674 7.6141 7.6141 8.4316 8.4316 8.7385 8.7385 8.7651 8.7651 9.1740 9.1740 k = 0.0000 0.4048-0.0000 ( 2810 PWs) bands (ev): -8.2760 -8.2760 -6.7879 -6.7879 2.0101 2.0101 2.1937 2.1937 3.0111 3.0111 3.2291 3.2291 3.4859 3.4859 4.5958 4.5958 6.4674 6.4674 6.8261 6.8261 6.8757 6.8757 6.8921 6.8921 7.0189 7.0189 7.5804 7.5804 8.4541 8.4541 8.7584 8.7584 8.7915 8.7915 9.1802 9.1802 k = 0.0000 0.4167-0.0000 ( 2802 PWs) bands (ev): -8.1956 -8.1956 -6.8914 -6.8914 2.0887 2.0887 2.2567 2.2567 3.0644 3.0644 3.2212 3.2212 3.3899 3.3899 4.5120 4.5120 6.4766 6.4766 6.8273 6.8273 6.8674 6.8674 6.9048 6.9048 6.9957 6.9957 7.5455 7.5455 8.4771 8.4771 8.7674 8.7674 8.8190 8.8190 9.2050 9.2050 k = 0.0000 0.4286-0.0000 ( 2802 PWs) bands (ev): -8.1134 -8.1134 -6.9938 -6.9938 2.1687 2.1687 2.3197 2.3197 3.0543 3.0543 3.2521 3.2521 3.3183 3.3183 4.4256 4.4256 6.4883 6.4883 6.8270 6.8270 6.8526 6.8526 6.8852 6.8852 7.0160 7.0160 7.5091 7.5091 8.5003 8.5003 8.7653 8.7653 8.8470 8.8470 9.2188 9.2188 k = 0.0000 0.4405-0.0000 ( 2796 PWs) bands (ev): -8.0292 -8.0292 -7.0950 -7.0950 2.2500 2.2500 2.3826 2.3826 3.0124 3.0124 3.1838 3.1838 3.3782 3.3782 4.3368 4.3368 6.5028 6.5028 6.8114 6.8114 6.8356 6.8356 6.8696 6.8696 7.0537 7.0537 7.4716 7.4716 8.5239 8.5239 8.7544 8.7544 8.8754 8.8754 9.1845 9.1845 k = 0.0000 0.4524-0.0000 ( 2798 PWs) bands (ev): -7.9432 -7.9432 -7.1951 -7.1951 2.3322 2.3322 2.4447 2.4447 2.9615 2.9615 3.0922 3.0922 3.4711 3.4711 4.2458 4.2458 6.5200 6.5200 6.7715 6.7715 6.8348 6.8348 6.8616 6.8616 7.0956 7.0956 7.4329 7.4329 8.5478 8.5478 8.7375 8.7375 8.9041 8.9041 9.1508 9.1508 k = 0.0000 0.4643-0.0000 ( 2810 PWs) bands (ev): -7.8553 -7.8553 -7.2939 -7.2939 2.4144 2.4144 2.5052 2.5052 2.9080 2.9080 3.0015 3.0015 3.5685 3.5685 4.1527 4.1527 6.5402 6.5402 6.7298 6.7298 6.8361 6.8361 6.8559 6.8559 7.1385 7.1385 7.3930 7.3930 8.5720 8.5720 8.7169 8.7169 8.9331 8.9331 9.1178 9.1178 k = 0.0000 0.4762-0.0000 ( 2810 PWs) bands (ev): -7.7658 -7.7658 -7.3913 -7.3913 2.4950 2.4950 2.5618 2.5618 2.8551 2.8551 2.9154 2.9154 3.6671 3.6671 4.0579 4.0579 6.5636 6.5636 6.6902 6.6902 6.8382 6.8382 6.8512 6.8512 7.1819 7.1819 7.3522 7.3522 8.5965 8.5965 8.6942 8.6942 8.9626 8.9626 9.0856 9.0856 k = 0.0000 0.4881-0.0000 ( 2820 PWs) bands (ev): -7.6746 -7.6746 -7.4872 -7.4872 2.5682 2.5682 2.6070 2.6070 2.8101 2.8101 2.8407 2.8407 3.7659 3.7659 3.9617 3.9617 6.5901 6.5901 6.6535 6.6535 6.8407 6.8407 6.8472 6.8472 7.2252 7.2252 7.3105 7.3105 8.6211 8.6211 8.6703 8.6703 8.9926 8.9926 9.0540 9.0540 k = 0.0000 0.5000-0.0000 ( 2820 PWs) bands (ev): -7.5817 -7.5817 -7.5817 -7.5817 2.6154 2.6154 2.6154 2.6154 2.7974 2.7974 2.7974 2.7974 3.8642 3.8642 3.8642 3.8642 6.6201 6.6201 6.6201 6.6201 6.8437 6.8437 6.8437 6.8437 7.2681 7.2681 7.2681 7.2681 8.6458 8.6458 8.6458 8.6458 9.0230 9.0230 9.0230 9.0230 k = 0.0000 0.5000-0.0000 ( 2820 PWs) bands (ev): -7.5817 -7.5817 -7.5817 -7.5817 2.6154 2.6154 2.6154 2.6154 2.7974 2.7974 2.7974 2.7974 3.8642 3.8642 3.8642 3.8642 6.6201 6.6201 6.6201 6.6201 6.8437 6.8437 6.8437 6.8437 7.2681 7.2681 7.2681 7.2681 8.6458 8.6458 8.6458 8.6458 9.0230 9.0230 9.0230 9.0230 k = 0.0119 0.5000-0.0000 ( 2824 PWs) bands (ev): -7.5810 -7.5810 -7.5808 -7.5808 2.5783 2.5783 2.6298 2.6298 2.7561 2.7561 2.8251 2.8251 3.8721 3.8721 3.8918 3.8918 6.6201 6.6201 6.6213 6.6213 6.8424 6.8424 6.8449 6.8449 7.2672 7.2672 7.2686 7.2686 8.6421 8.6421 8.6495 8.6495 9.0227 9.0227 9.0234 9.0234 k = 0.0238 0.5000-0.0000 ( 2816 PWs) bands (ev): -7.5787 -7.5787 -7.5783 -7.5783 2.5220 2.5220 2.6000 2.6000 2.7279 2.7279 2.8372 2.8372 3.9142 3.9142 3.9500 3.9500 6.6212 6.6212 6.6237 6.6237 6.8409 6.8409 6.8459 6.8459 7.2659 7.2659 7.2688 7.2688 8.6386 8.6386 8.6534 8.6534 9.0230 9.0230 9.0243 9.0243 k = 0.0357 0.5000-0.0000 ( 2812 PWs) bands (ev): -7.5749 -7.5749 -7.5742 -7.5742 2.4463 2.4463 2.5183 2.5183 2.7280 2.7280 2.8404 2.8404 3.9838 3.9838 4.0310 4.0310 6.6234 6.6234 6.6273 6.6273 6.8392 6.8392 6.8468 6.8468 7.2642 7.2642 7.2685 7.2685 8.6347 8.6347 8.6570 8.6570 9.0244 9.0244 9.0258 9.0258 k = 0.0476 0.5000-0.0000 ( 2804 PWs) bands (ev): -7.5694 -7.5694 -7.5685 -7.5685 2.3529 2.3529 2.4102 2.4102 2.7385 2.7385 2.8412 2.8412 4.0727 4.0727 4.1271 4.1271 6.6266 6.6266 6.6321 6.6321 6.8373 6.8373 6.8476 6.8476 7.2621 7.2621 7.2678 7.2678 8.6300 8.6300 8.6599 8.6599 9.0279 9.0279 9.0291 9.0291 k = 0.0595 0.5000-0.0000 ( 2808 PWs) bands (ev): -7.5625 -7.5625 -7.5613 -7.5613 2.2453 2.2453 2.2888 2.2888 2.7518 2.7518 2.8431 2.8431 4.1737 4.1737 4.2327 4.2327 6.6308 6.6308 6.6380 6.6380 6.8352 6.8352 6.8484 6.8484 7.2597 7.2597 7.2668 7.2668 8.6239 8.6239 8.6610 8.6610 9.0345 9.0345 9.0352 9.0352 k = 0.0714 0.5000-0.0000 ( 2808 PWs) bands (ev): -7.5539 -7.5539 -7.5526 -7.5526 2.1271 2.1271 2.1595 2.1595 2.7666 2.7666 2.8475 2.8475 4.2817 4.2817 4.3437 4.3437 6.6357 6.6357 6.6451 6.6451 6.8329 6.8329 6.8494 6.8494 7.2568 7.2568 7.2653 7.2653 8.6158 8.6158 8.6597 8.6597 9.0455 9.0455 9.0456 9.0456 k = 0.0833 0.5000-0.0000 ( 2808 PWs) bands (ev): -7.5439 -7.5439 -7.5423 -7.5423 2.0015 2.0015 2.0253 2.0253 2.7826 2.7826 2.8546 2.8546 4.3931 4.3931 4.4571 4.4571 6.6414 6.6414 6.6532 6.6532 6.8306 6.8306 6.8506 6.8506 7.2537 7.2537 7.2635 7.2635 8.6053 8.6053 8.6552 8.6552 9.0615 9.0615 9.0616 9.0616 k = 0.0952 0.5000-0.0000 ( 2808 PWs) bands (ev): -7.5324 -7.5324 -7.5306 -7.5306 1.8708 1.8708 1.8880 1.8880 2.7998 2.7998 2.8645 2.8645 4.5054 4.5054 4.5710 4.5710 6.6477 6.6477 6.6623 6.6623 6.8282 6.8282 6.8522 6.8522 7.2501 7.2501 7.2613 7.2613 8.5919 8.5919 8.6470 8.6470 9.0836 9.0836 9.0837 9.0837 k = 0.1071 0.5000-0.0000 ( 2808 PWs) bands (ev): -7.5194 -7.5194 -7.5174 -7.5174 1.7369 1.7369 1.7489 1.7489 2.8183 2.8183 2.8768 2.8768 4.6168 4.6168 4.6837 4.6837 6.6543 6.6543 6.6722 6.6722 6.8260 6.8260 6.8543 6.8543 7.2462 7.2462 7.2587 7.2587 8.5756 8.5756 8.6350 8.6350 9.1121 9.1121 9.1130 9.1130 k = 0.1190 0.5000-0.0000 ( 2812 PWs) bands (ev): -7.5050 -7.5050 -7.5028 -7.5028 1.6010 1.6010 1.6089 1.6089 2.8380 2.8380 2.8914 2.8914 4.7261 4.7261 4.7940 4.7940 6.6612 6.6612 6.6828 6.6828 6.8241 6.8241 6.8572 6.8572 7.2418 7.2418 7.2558 7.2558 8.5565 8.5565 8.6191 8.6191 9.1471 9.1471 9.1494 9.1494 k = 0.1310 0.5000-0.0000 ( 2806 PWs) bands (ev): -7.4893 -7.4893 -7.4869 -7.4869 1.4641 1.4641 1.4689 1.4689 2.8592 2.8592 2.9081 2.9081 4.8325 4.8325 4.9013 4.9013 6.6680 6.6680 6.6938 6.6938 6.8228 6.8228 6.8611 6.8611 7.2372 7.2372 7.2525 7.2525 8.5347 8.5347 8.5998 8.5998 9.1887 9.1887 9.1928 9.1928 k = 0.1429 0.5000-0.0000 ( 2808 PWs) bands (ev): -7.4723 -7.4723 -7.4697 -7.4697 1.3271 1.3271 1.3293 1.3293 2.8816 2.8816 2.9268 2.9268 4.9351 4.9351 5.0047 5.0047 6.6745 6.6745 6.7049 6.7049 6.8222 6.8222 6.8659 6.8659 7.2322 7.2322 7.2488 7.2488 8.5104 8.5104 8.5775 8.5775 9.2368 9.2368 9.2431 9.2431 k = 0.1548 0.5000-0.0000 ( 2804 PWs) bands (ev): -7.4540 -7.4540 -7.4512 -7.4512 1.1904 1.1904 1.1906 1.1906 2.9053 2.9053 2.9473 2.9473 5.0334 5.0334 5.1038 5.1038 6.6806 6.6806 6.7155 6.7155 6.8231 6.8231 6.8721 6.8721 7.2269 7.2269 7.2447 7.2447 8.4839 8.4839 8.5525 8.5525 9.2911 9.2911 9.2998 9.2998 k = 0.1667 0.5000-0.0000 ( 2804 PWs) bands (ev): -7.4346 -7.4346 -7.4316 -7.4316 1.0532 1.0532 1.0547 1.0547 2.9302 2.9302 2.9694 2.9694 5.1272 5.1272 5.1982 5.1982 6.6860 6.6860 6.7249 6.7249 6.8258 6.8258 6.8795 6.8795 7.2213 7.2213 7.2404 7.2404 8.4553 8.4553 8.5251 8.5251 9.3514 9.3514 9.3625 9.3625 k = 0.1786 0.5000-0.0000 ( 2804 PWs) bands (ev): -7.4140 -7.4140 -7.4109 -7.4109 0.9175 0.9175 0.9203 0.9203 2.9564 2.9564 2.9930 2.9930 5.2162 5.2162 5.2877 5.2877 6.6906 6.6906 6.7327 6.7327 6.8310 6.8310 6.8883 6.8883 7.2154 7.2154 7.2357 7.2357 8.4249 8.4249 8.4956 8.4956 9.4172 9.4172 9.4308 9.4308 k = 0.1905 0.5000-0.0000 ( 2804 PWs) bands (ev): -7.3924 -7.3924 -7.3891 -7.3891 0.7838 0.7838 0.7877 0.7877 2.9836 2.9836 3.0180 3.0180 5.3003 5.3003 5.3722 5.3722 6.6944 6.6944 6.7382 6.7382 6.8388 6.8388 6.8984 6.8984 7.2091 7.2091 7.2307 7.2307 8.3928 8.3928 8.4643 8.4643 9.4881 9.4881 9.5041 9.5041 k = 0.2024 0.5000-0.0000 ( 2804 PWs) bands (ev): -7.3698 -7.3698 -7.3665 -7.3665 0.6523 0.6523 0.6571 0.6571 3.0118 3.0118 3.0442 3.0442 5.3795 5.3795 5.4516 5.4516 6.6974 6.6974 6.7415 6.7415 6.8494 6.8494 6.9096 6.9096 7.2027 7.2027 7.2255 7.2255 8.3591 8.3591 8.4313 8.4313 9.5637 9.5637 9.5819 9.5819 k = 0.2143 0.5000-0.0000 ( 2796 PWs) bands (ev): -7.3464 -7.3464 -7.3430 -7.3430 0.5233 0.5233 0.5288 0.5288 3.0409 3.0409 3.0715 3.0715 5.4539 5.4539 5.5261 5.5261 6.6998 6.6998 6.7430 6.7430 6.8623 6.8623 6.9219 6.9219 7.1960 7.1960 7.2200 7.2200 8.3239 8.3239 8.3967 8.3967 9.6433 9.6433 9.6636 9.6636 k = 0.2262 0.5000-0.0000 ( 2792 PWs) bands (ev): -7.3223 -7.3223 -7.3187 -7.3187 0.3972 0.3972 0.4032 0.4032 3.0708 3.0708 3.0997 3.0997 5.5238 5.5238 5.5958 5.5958 6.7015 6.7015 6.7431 6.7431 6.8767 6.8767 6.9348 6.9348 7.1891 7.1891 7.2143 7.2143 8.2874 8.2874 8.3607 8.3607 9.7265 9.7265 9.7485 9.7485 k = 0.2381 0.5000-0.0000 ( 2788 PWs) bands (ev): -7.2975 -7.2975 -7.2938 -7.2938 0.2740 0.2740 0.2805 0.2805 3.1014 3.1014 3.1288 3.1288 5.5892 5.5892 5.6609 5.6609 6.7027 6.7027 6.7424 6.7424 6.8922 6.8922 6.9482 6.9482 7.1819 7.1819 7.2083 7.2083 8.2495 8.2495 8.3232 8.3232 9.8124 9.8124 9.8360 9.8360 k = 0.2500 0.5000-0.0000 ( 2790 PWs) bands (ev): -7.2721 -7.2721 -7.2684 -7.2684 0.1541 0.1541 0.1609 0.1609 3.1324 3.1324 3.1585 3.1585 5.6506 5.6506 5.7218 5.7218 6.7036 6.7036 6.7410 6.7410 6.9082 6.9082 6.9619 6.9619 7.1746 7.1746 7.2022 7.2022 8.2103 8.2103 8.2845 8.2845 9.9005 9.9005 9.9253 9.9253 k = 0.2619 0.5000-0.0000 ( 2788 PWs) bands (ev): -7.2464 -7.2464 -7.2426 -7.2426 0.0376 0.0376 0.0447 0.0447 3.1639 3.1639 3.1886 3.1886 5.7082 5.7082 5.7787 5.7787 6.7042 6.7042 6.7393 6.7393 6.9244 6.9244 6.9757 6.9757 7.1671 7.1671 7.1958 7.1958 8.1700 8.1700 8.2445 8.2445 9.9901 9.9901 10.0157 10.0157 k = 0.2738 0.5000-0.0000 ( 2788 PWs) bands (ev): -7.2203 -7.2203 -7.2165 -7.2165 -0.0751 -0.0751 -0.0679 -0.0679 3.1956 3.1956 3.2191 3.2191 5.7624 5.7624 5.8320 5.8320 6.7046 6.7046 6.7375 6.7375 6.9406 6.9406 6.9892 6.9892 7.1596 7.1596 7.1893 7.1893 8.1286 8.1286 8.2034 8.2034 10.0805 10.0805 10.1066 10.1066 k = 0.2857 0.5000-0.0000 ( 2794 PWs) bands (ev): -7.1942 -7.1942 -7.1904 -7.1904 -0.1839 -0.1839 -0.1767 -0.1767 3.2273 3.2273 3.2496 3.2496 5.8135 5.8135 5.8820 5.8820 6.7050 6.7050 6.7357 6.7357 6.9563 6.9563 7.0021 7.0021 7.1522 7.1522 7.1827 7.1827 8.0863 8.0863 8.1613 8.1613 10.1709 10.1709 10.1971 10.1971 k = 0.2976 0.5000-0.0000 ( 2790 PWs) bands (ev): -7.1680 -7.1680 -7.1642 -7.1642 -0.2886 -0.2886 -0.2813 -0.2813 3.2590 3.2590 3.2801 3.2801 5.8618 5.8618 5.9291 5.9291 6.7055 6.7055 6.7341 6.7341 6.9714 6.9714 7.0144 7.0144 7.1450 7.1450 7.1762 7.1762 8.0432 8.0432 8.1184 8.1184 10.2608 10.2608 10.2867 10.2867 k = 0.3095 0.5000-0.0000 ( 2790 PWs) bands (ev): -7.1420 -7.1420 -7.1383 -7.1383 -0.3889 -0.3889 -0.3817 -0.3817 3.2903 3.2903 3.3103 3.3103 5.9076 5.9076 5.9735 5.9735 6.7061 6.7061 6.7327 6.7327 6.9856 6.9856 7.0254 7.0254 7.1384 7.1384 7.1697 7.1697 7.9996 7.9996 8.0747 8.0747 10.3494 10.3494 10.3747 10.3747 k = 0.3214 0.5000-0.0000 ( 2788 PWs) bands (ev): -7.1163 -7.1163 -7.1126 -7.1126 -0.4846 -0.4846 -0.4775 -0.4775 3.3212 3.3212 3.3400 3.3400 5.9512 5.9512 6.0155 6.0155 6.7069 6.7069 6.7316 6.7316 6.9987 6.9987 7.0347 7.0347 7.1327 7.1327 7.1636 7.1636 7.9555 7.9555 8.0305 8.0305 10.4363 10.4363 10.4606 10.4606 k = 0.3333 0.5000-0.0000 ( 2788 PWs) bands (ev): -7.0911 -7.0911 -7.0875 -7.0875 -0.5754 -0.5754 -0.5686 -0.5686 3.3513 3.3513 3.3691 3.3691 5.9929 5.9929 6.0553 6.0553 6.7079 6.7079 6.7308 6.7308 7.0101 7.0101 7.0415 7.0415 7.1288 7.1288 7.1580 7.1580 7.9114 7.9114 7.9859 7.9859 10.5207 10.5207 10.5437 10.5437 k = 0.3452 0.5000-0.0000 ( 2784 PWs) bands (ev): -7.0666 -7.0666 -7.0631 -7.0631 -0.6613 -0.6613 -0.6547 -0.6547 3.3806 3.3806 3.3973 3.3973 6.0329 6.0329 6.0932 6.0932 6.7093 6.7093 6.7305 6.7305 7.0194 7.0194 7.0448 7.0448 7.1273 7.1273 7.1534 7.1534 7.8675 7.8675 7.9413 7.9413 10.6020 10.6020 10.6236 10.6236 k = 0.3571 0.5000-0.0000 ( 2788 PWs) bands (ev): -7.0429 -7.0429 -7.0396 -7.0396 -0.7418 -0.7418 -0.7356 -0.7356 3.4089 3.4089 3.4244 3.4244 6.0712 6.0712 6.1291 6.1291 6.7110 6.7110 6.7306 6.7306 7.0261 7.0261 7.0441 7.0441 7.1289 7.1289 7.1503 7.1503 7.8241 7.8241 7.8968 7.8968 10.6798 10.6798 10.6996 10.6996 k = 0.3690 0.5000-0.0000 ( 2788 PWs) bands (ev): -7.0202 -7.0202 -7.0171 -7.0171 -0.8169 -0.8169 -0.8110 -0.8110 3.4358 3.4358 3.4502 3.4502 6.1080 6.1080 6.1632 6.1632 6.7132 6.7132 6.7312 6.7312 7.0294 7.0294 7.0397 7.0397 7.1332 7.1332 7.1492 7.1492 7.7817 7.7817 7.8529 7.8529 10.7532 10.7532 10.7712 10.7712 k = 0.3810 0.5000-0.0000 ( 2796 PWs) bands (ev): -6.9987 -6.9987 -6.9958 -6.9958 -0.8863 -0.8863 -0.8808 -0.8808 3.4613 3.4613 3.4745 3.4745 6.1434 6.1434 6.1956 6.1956 6.7158 6.7158 6.7323 6.7323 7.0289 7.0289 7.0322 7.0322 7.1394 7.1394 7.1504 7.1504 7.7406 7.7406 7.8098 7.8098 10.8217 10.8217 10.8377 10.8377 k = 0.3929 0.5000-0.0000 ( 2798 PWs) bands (ev): -6.9786 -6.9786 -6.9759 -6.9759 -0.9498 -0.9498 -0.9447 -0.9447 3.4851 3.4851 3.4971 3.4971 6.1772 6.1772 6.2261 6.2261 6.7191 6.7191 6.7342 6.7342 7.0227 7.0227 7.0246 7.0246 7.1468 7.1468 7.1541 7.1541 7.7015 7.7015 7.7680 7.7680 10.8847 10.8847 10.8986 10.8986 k = 0.4048 0.5000-0.0000 ( 2798 PWs) bands (ev): -6.9601 -6.9601 -6.9576 -6.9576 -1.0072 -1.0072 -1.0025 -1.0025 3.5070 3.5070 3.5179 3.5179 6.2094 6.2094 6.2545 6.2545 6.7229 6.7229 6.7367 6.7367 7.0115 7.0115 7.0170 7.0170 7.1548 7.1548 7.1596 7.1596 7.6648 7.6648 7.7279 7.7279 10.9416 10.9416 10.9535 10.9535 k = 0.4167 0.5000-0.0000 ( 2798 PWs) bands (ev): -6.9432 -6.9432 -6.9410 -6.9410 -1.0583 -1.0583 -1.0541 -1.0541 3.5270 3.5270 3.5365 3.5365 6.2398 6.2398 6.2807 6.2807 6.7274 6.7274 6.7400 6.7400 6.9993 6.9993 7.0067 7.0067 7.1630 7.1630 7.1664 7.1664 7.6311 7.6311 7.6899 7.6899 10.9919 10.9919 11.0018 11.0018 k = 0.4286 0.5000-0.0000 ( 2794 PWs) bands (ev): -6.9283 -6.9283 -6.9263 -6.9263 -1.1029 -1.1029 -1.0993 -1.0993 3.5447 3.5447 3.5530 3.5530 6.2680 6.2680 6.3042 6.3042 6.7327 6.7327 6.7440 6.7440 6.9865 6.9865 6.9944 6.9944 7.1710 7.1710 7.1738 7.1738 7.6010 7.6010 7.6544 7.6544 11.0353 11.0353 11.0433 11.0433 k = 0.4405 0.5000-0.0000 ( 2794 PWs) bands (ev): -6.9153 -6.9153 -6.9136 -6.9136 -1.1409 -1.1409 -1.1378 -1.1378 3.5601 3.5601 3.5670 3.5670 6.2935 6.2935 6.3246 6.3246 6.7387 6.7387 6.7486 6.7486 6.9734 6.9734 6.9810 6.9810 7.1786 7.1786 7.1811 7.1811 7.5750 7.5750 7.6221 7.6221 11.0715 11.0715 11.0778 11.0778 k = 0.4524 0.5000-0.0000 ( 2796 PWs) bands (ev): -6.9045 -6.9045 -6.9031 -6.9031 -1.1721 -1.1721 -1.1697 -1.1697 3.5730 3.5730 3.5786 3.5786 6.3159 6.3159 6.3415 6.3415 6.7452 6.7452 6.7537 6.7537 6.9608 6.9608 6.9672 6.9672 7.1855 7.1855 7.1880 7.1880 7.5537 7.5537 7.5934 7.5934 11.1008 11.1008 11.1056 11.1056 k = 0.4643 0.5000-0.0000 ( 2800 PWs) bands (ev): -6.8959 -6.8959 -6.8948 -6.8948 -1.1965 -1.1965 -1.1946 -1.1946 3.5833 3.5833 3.5876 3.5876 6.3349 6.3349 6.3544 6.3544 6.7518 6.7518 6.7586 6.7586 6.9493 6.9493 6.9542 6.9542 7.1916 7.1916 7.1938 7.1938 7.5379 7.5379 7.5689 7.5689 11.1232 11.1232 11.1266 11.1266 k = 0.4762 0.5000-0.0000 ( 2804 PWs) bands (ev): -6.8896 -6.8896 -6.8889 -6.8889 -1.2139 -1.2139 -1.2126 -1.2126 3.5910 3.5910 3.5938 3.5938 6.3498 6.3498 6.3630 6.3630 6.7579 6.7579 6.7628 6.7628 6.9400 6.9400 6.9432 6.9432 7.1963 7.1963 7.1981 7.1981 7.5278 7.5278 7.5492 7.5492 11.1391 11.1391 11.1413 11.1413 k = 0.4881 0.5000-0.0000 ( 2808 PWs) bands (ev): -6.8858 -6.8858 -6.8854 -6.8854 -1.2242 -1.2242 -1.2236 -1.2236 3.5959 3.5959 3.5973 3.5973 6.3602 6.3602 6.3669 6.3669 6.7628 6.7628 6.7653 6.7653 6.9339 6.9339 6.9355 6.9355 7.1996 7.1996 7.2005 7.2005 7.5239 7.5239 7.5348 7.5348 11.1487 11.1487 11.1497 11.1497 k = 0.5000 0.5000-0.0000 ( 2820 PWs) bands (ev): -6.8844 -6.8844 -6.8844 -6.8844 -1.2274 -1.2274 -1.2274 -1.2274 3.5980 3.5980 3.5980 3.5980 6.3659 6.3659 6.3659 6.3659 6.7653 6.7653 6.7653 6.7653 6.9323 6.9323 6.9323 6.9323 7.2011 7.2011 7.2011 7.2011 7.5262 7.5262 7.5262 7.5262 11.1522 11.1522 11.1522 11.1522 k = 0.5000 0.5000-0.0000 ( 2820 PWs) bands (ev): -6.8844 -6.8844 -6.8844 -6.8844 -1.2274 -1.2274 -1.2274 -1.2274 3.5980 3.5980 3.5980 3.5980 6.3659 6.3659 6.3659 6.3659 6.7653 6.7653 6.7653 6.7653 6.9323 6.9323 6.9323 6.9323 7.2011 7.2011 7.2011 7.2011 7.5262 7.5262 7.5262 7.5262 11.1522 11.1522 11.1522 11.1522 k = 0.4915 0.4915-0.0000 ( 2808 PWs) bands (ev): -6.8881 -6.8881 -6.8831 -6.8831 -1.2264 -1.2264 -1.2212 -1.2212 3.5948 3.5948 3.5983 3.5983 6.3597 6.3597 6.3674 6.3674 6.7627 6.7627 6.7653 6.7653 6.9334 6.9334 6.9362 6.9362 7.1986 7.1986 7.2015 7.2015 7.5237 7.5237 7.5350 7.5350 11.1434 11.1434 11.1550 11.1550 k = 0.4831 0.4831-0.0000 ( 2810 PWs) bands (ev): -6.8993 -6.8993 -6.8794 -6.8794 -1.2233 -1.2233 -1.2028 -1.2028 3.5858 3.5858 3.5989 3.5989 6.3460 6.3460 6.3665 6.3665 6.7574 6.7574 6.7626 6.7626 6.9371 6.9371 6.9467 6.9467 7.1919 7.1919 7.2027 7.2027 7.5263 7.5263 7.5505 7.5505 11.1173 11.1173 11.1633 11.1633 k = 0.4746 0.4746-0.0000 ( 2798 PWs) bands (ev): -6.9177 -6.9177 -6.8731 -6.8731 -1.2182 -1.2182 -1.1723 -1.1723 3.5708 3.5708 3.5998 3.5998 6.3250 6.3250 6.3643 6.3643 6.7499 6.7499 6.7578 6.7578 6.9429 6.9429 6.9630 6.9630 7.1823 7.1823 7.2048 7.2048 7.5332 7.5332 7.5724 7.5724 11.0747 11.0747 11.1772 11.1772 k = 0.4661 0.4661-0.0000 ( 2790 PWs) bands (ev): -6.9431 -6.9431 -6.8644 -6.8644 -1.2109 -1.2109 -1.1299 -1.1299 3.5501 3.5501 3.6010 3.6010 6.2968 6.2968 6.3612 6.3612 6.7406 6.7406 6.7512 6.7512 6.9502 6.9502 6.9838 6.9838 7.1707 7.1707 7.2079 7.2079 7.5439 7.5439 7.5994 7.5994 11.0172 11.0172 11.1964 11.1964 k = 0.4576 0.4576-0.0000 ( 2790 PWs) bands (ev): -6.9751 -6.9751 -6.8532 -6.8532 -1.2017 -1.2017 -1.0761 -1.0761 3.5237 3.5237 3.6027 3.6027 6.2624 6.2624 6.3571 6.3571 6.7297 6.7297 6.7433 6.7433 6.9585 6.9585 7.0080 7.0080 7.1586 7.1586 7.2120 7.2120 7.5580 7.5580 7.6304 7.6304 10.9466 10.9466 11.2209 11.2209 k = 0.4492 0.4492-0.0000 ( 2792 PWs) bands (ev): -7.0134 -7.0134 -6.8395 -6.8395 -1.1904 -1.1904 -1.0112 -1.0112 3.4921 3.4921 3.6046 3.6046 6.2225 6.2225 6.3523 6.3523 6.7177 6.7177 6.7342 6.7342 6.9671 6.9671 7.0345 7.0345 7.1466 7.1466 7.2174 7.2174 7.5752 7.5752 7.6643 7.6643 10.8650 10.8650 11.2505 11.2505 k = 0.4407 0.4407-0.0000 ( 2789 PWs) bands (ev): -7.0575 -7.0575 -6.8234 -6.8234 -1.1771 -1.1771 -0.9358 -0.9358 3.4553 3.4553 3.6069 3.6069 6.1780 6.1780 6.3466 6.3466 6.7049 6.7049 6.7243 6.7243 6.9758 6.9758 7.0624 7.0624 7.1357 7.1357 7.2244 7.2244 7.5956 7.5956 7.7001 7.7001 10.7747 10.7747 11.2849 11.2849 k = 0.4322 0.4322-0.0000 ( 2783 PWs) bands (ev): -7.1069 -7.1069 -6.8047 -6.8047 -1.1618 -1.1618 -0.8503 -0.8503 3.4139 3.4139 3.6096 3.6096 6.1289 6.1289 6.3404 6.3404 6.6914 6.6914 6.7138 6.7138 6.9841 6.9841 7.0903 7.0903 7.1269 7.1269 7.2332 7.2332 7.6190 7.6190 7.7371 7.7371 10.6777 10.6777 11.3234 11.3234 k = 0.4237 0.4237-0.0000 ( 2783 PWs) bands (ev): -7.1610 -7.1610 -6.7837 -6.7837 -1.1445 -1.1445 -0.7554 -0.7554 3.3680 3.3680 3.6126 3.6126 6.0757 6.0757 6.3335 6.3335 6.6775 6.6775 6.7028 6.7028 6.9917 6.9917 7.1078 7.1078 7.1298 7.1298 7.2442 7.2442 7.6452 7.6452 7.7747 7.7747 10.5759 10.5759 11.3624 11.3624 k = 0.4153 0.4153-0.0000 ( 2785 PWs) bands (ev): -7.2194 -7.2194 -6.7601 -6.7601 -1.1253 -1.1253 -0.6516 -0.6516 3.3182 3.3182 3.6159 3.6159 6.0184 6.0184 6.3262 6.3262 6.6634 6.6634 6.6915 6.6915 6.9982 6.9982 7.1039 7.1039 7.1553 7.1553 7.2575 7.2575 7.6741 7.6741 7.8123 7.8123 10.4709 10.4709 11.3145 11.3145 k = 0.4068 0.4068-0.0000 ( 2797 PWs) bands (ev): -7.2815 -7.2815 -6.7341 -6.7341 -1.1041 -1.1041 -0.5394 -0.5394 3.2646 3.2646 3.6195 3.6195 5.9571 5.9571 6.3183 6.3183 6.6491 6.6491 6.6798 6.6798 7.0036 7.0036 7.0974 7.0974 7.1840 7.1840 7.2733 7.2733 7.7057 7.7057 7.8497 7.8497 10.3640 10.3640 11.1619 11.1619 k = 0.3983 0.3983-0.0000 ( 2793 PWs) bands (ev): -7.3468 -7.3468 -6.7057 -6.7057 -1.0810 -1.0810 -0.4194 -0.4194 3.2078 3.2078 3.6234 3.6234 5.8919 5.8919 6.3102 6.3102 6.6350 6.6350 6.6682 6.6682 7.0077 7.0077 7.0913 7.0913 7.2126 7.2126 7.2919 7.2919 7.7399 7.7399 7.8866 7.8866 10.2562 10.2562 11.0018 11.0018 k = 0.3898 0.3898-0.0000 ( 2795 PWs) bands (ev): -7.4148 -7.4148 -6.6749 -6.6749 -1.0561 -1.0561 -0.2922 -0.2922 3.1481 3.1481 3.6277 3.6277 5.8226 5.8226 6.3018 6.3018 6.6209 6.6209 6.6565 6.6565 7.0105 7.0105 7.0860 7.0860 7.2404 7.2404 7.3132 7.3132 7.7765 7.7765 7.9225 7.9225 10.1485 10.1485 10.8399 10.8399 k = 0.3814 0.3814-0.0000 ( 2799 PWs) bands (ev): -7.4851 -7.4851 -6.6417 -6.6417 -1.0293 -1.0293 -0.1582 -0.1582 3.0858 3.0858 3.6322 3.6322 5.7491 5.7491 6.2933 6.2933 6.6069 6.6069 6.6448 6.6448 7.0120 7.0120 7.0814 7.0814 7.2674 7.2674 7.3370 7.3370 7.8155 7.8155 7.9575 7.9575 10.0415 10.0415 10.6779 10.6779 k = 0.3729 0.3729-0.0000 ( 2799 PWs) bands (ev): -7.5573 -7.5573 -6.6061 -6.6061 -1.0007 -1.0007 -0.0181 -0.0181 3.0214 3.0214 3.6370 3.6370 5.6712 5.6712 6.2846 6.2846 6.5931 6.5931 6.6334 6.6334 7.0123 7.0123 7.0776 7.0776 7.2936 7.2936 7.3629 7.3629 7.8569 7.8569 7.9913 7.9913 9.9360 9.9360 10.5171 10.5171 k = 0.3644 0.3644-0.0000 ( 2803 PWs) bands (ev): -7.6309 -7.6309 -6.5681 -6.5681 -0.9704 -0.9704 0.1278 0.1278 2.9551 2.9551 3.6420 3.6420 5.5890 5.5890 6.2758 6.2758 6.5793 6.5793 6.6222 6.6222 7.0114 7.0114 7.0743 7.0743 7.3192 7.3192 7.3903 7.3903 7.9003 7.9003 8.0238 8.0238 9.8324 9.8324 10.3585 10.3585 k = 0.3559 0.3559-0.0000 ( 2801 PWs) bands (ev): -7.7056 -7.7056 -6.5278 -6.5278 -0.9383 -0.9383 0.2790 0.2790 2.8873 2.8873 3.6473 3.6473 5.5020 5.5020 6.2670 6.2670 6.5657 6.5657 6.6115 6.6115 7.0094 7.0094 7.0718 7.0718 7.3446 7.3446 7.4187 7.4187 7.9458 7.9458 8.0553 8.0553 9.7312 9.7312 10.2029 10.2029 k = 0.3475 0.3475-0.0000 ( 2799 PWs) bands (ev): -7.7811 -7.7811 -6.4852 -6.4852 -0.9046 -0.9046 0.4350 0.4350 2.8184 2.8184 3.6528 3.6528 5.4104 5.4104 6.2581 6.2581 6.5520 6.5520 6.6014 6.6014 7.0063 7.0063 7.0699 7.0699 7.3697 7.3697 7.4476 7.4476 7.9928 7.9928 8.0858 8.0858 9.6328 9.6328 10.0513 10.0513 k = 0.3390 0.3390-0.0000 ( 2799 PWs) bands (ev): -7.8570 -7.8570 -6.4403 -6.4403 -0.8693 -0.8693 0.5955 0.5955 2.7486 2.7486 3.6585 3.6585 5.3138 5.3138 6.2492 6.2492 6.5383 6.5383 6.5919 6.5919 7.0024 7.0024 7.0685 7.0685 7.3947 7.3947 7.4766 7.4766 8.0406 8.0406 8.1161 8.1161 9.5377 9.5377 9.9042 9.9042 k = 0.3305 0.3305-0.0000 ( 2801 PWs) bands (ev): -7.9331 -7.9331 -6.3931 -6.3931 -0.8324 -0.8324 0.7599 0.7599 2.6782 2.6782 3.6644 3.6644 5.2123 5.2123 6.2404 6.2404 6.5244 6.5244 6.5832 6.5832 6.9978 6.9978 7.0672 7.0672 7.4195 7.4195 7.5056 7.5056 8.0875 8.0875 8.1478 8.1478 9.4464 9.4464 9.7624 9.7624 k = 0.3220 0.3220-0.0000 ( 2803 PWs) bands (ev): -8.0091 -8.0091 -6.3436 -6.3436 -0.7941 -0.7941 0.9279 0.9279 2.6076 2.6076 3.6704 3.6704 5.1058 5.1058 6.2315 6.2315 6.5103 6.5103 6.5752 6.5752 6.9925 6.9925 7.0665 7.0665 7.4437 7.4437 7.5342 7.5342 8.1293 8.1293 8.1851 8.1851 9.3591 9.3591 9.6264 9.6264 k = 0.3136 0.3136-0.0000 ( 2799 PWs) bands (ev): -8.0848 -8.0848 -6.2920 -6.2920 -0.7543 -0.7543 1.0990 1.0990 2.5370 2.5370 3.6765 3.6765 4.9942 4.9942 6.2228 6.2228 6.4960 6.4960 6.5682 6.5682 6.9866 6.9866 7.0661 7.0661 7.4672 7.4672 7.5625 7.5625 8.1623 8.1623 8.2316 8.2316 9.2764 9.2764 9.4965 9.4965 k = 0.3051 0.3051-0.0000 ( 2805 PWs) bands (ev): -8.1600 -8.1600 -6.2382 -6.2382 -0.7132 -0.7132 1.2727 1.2727 2.4668 2.4668 3.6827 3.6827 4.8778 4.8778 6.2143 6.2143 6.4814 6.4814 6.5620 6.5620 6.9802 6.9802 7.0659 7.0659 7.4896 7.4896 7.5902 7.5902 8.1882 8.1882 8.2855 8.2855 9.1987 9.1987 9.3732 9.3732 k = 0.2966 0.2966-0.0000 ( 2809 PWs) bands (ev): -8.2344 -8.2344 -6.1823 -6.1823 -0.6708 -0.6708 1.4483 1.4483 2.3975 2.3975 3.6889 3.6889 4.7566 4.7566 6.2057 6.2057 6.4666 6.4666 6.5566 6.5566 6.9734 6.9734 7.0659 7.0659 7.5105 7.5105 7.6173 7.6173 8.2100 8.2100 8.3439 8.3439 9.1263 9.1263 9.2569 9.2569 k = 0.2881 0.2881-0.0000 ( 2809 PWs) bands (ev): -8.3080 -8.3080 -6.1243 -6.1243 -0.6272 -0.6272 1.6250 1.6250 2.3299 2.3299 3.6950 3.6950 4.6310 4.6310 6.1973 6.1973 6.4516 6.4516 6.5522 6.5522 6.9664 6.9664 7.0661 7.0661 7.5295 7.5295 7.6436 7.6436 8.2291 8.2291 8.4051 8.4051 9.0595 9.0595 9.1483 9.1483 k = 0.2797 0.2797-0.0000 ( 2805 PWs) bands (ev): -8.3805 -8.3805 -6.0643 -6.0643 -0.5825 -0.5825 1.8005 1.8005 2.2661 2.2661 3.7008 3.7008 4.5013 4.5013 6.1891 6.1891 6.4364 6.4364 6.5487 6.5487 6.9590 6.9590 7.0664 7.0664 7.5459 7.5459 7.6692 7.6692 8.2461 8.2461 8.4685 8.4685 8.9965 8.9965 9.0501 9.0501 k = 0.2712 0.2712-0.0000 ( 2807 PWs) bands (ev): -8.4519 -8.4519 -6.0023 -6.0023 -0.5368 -0.5368 1.9649 1.9649 2.2155 2.2155 3.7062 3.7062 4.3681 4.3681 6.1809 6.1809 6.4210 6.4210 6.5459 6.5459 6.9514 6.9514 7.0668 7.0668 7.5591 7.5591 7.6940 7.6940 8.2612 8.2612 8.5333 8.5333 8.9276 8.9276 8.9729 8.9729 k = 0.2627 0.2627-0.0000 ( 2811 PWs) bands (ev): -8.5219 -8.5219 -5.9383 -5.9383 -0.4901 -0.4901 2.0536 2.0536 2.2426 2.2426 3.7104 3.7104 4.2322 4.2322 6.1729 6.1729 6.4053 6.4053 6.5440 6.5440 6.9436 6.9436 7.0675 7.0675 7.5685 7.5685 7.7178 7.7178 8.2747 8.2747 8.5984 8.5984 8.8480 8.8480 8.9233 8.9233 k = 0.2542 0.2542-0.0000 ( 2803 PWs) bands (ev): -8.5905 -8.5905 -5.8726 -5.8726 -0.4427 -0.4427 2.0230 2.0230 2.3910 2.3910 3.7123 3.7123 4.0954 4.0954 6.1651 6.1651 6.3895 6.3895 6.5432 6.5432 6.9357 6.9357 7.0682 7.0682 7.5736 7.5736 7.7407 7.7407 8.2867 8.2867 8.6579 8.6579 8.7755 8.7755 8.8900 8.8900 k = 0.2458 0.2458-0.0000 ( 2805 PWs) bands (ev): -8.6575 -8.6575 -5.8050 -5.8050 -0.3945 -0.3945 1.9663 1.9663 2.5668 2.5668 3.7073 3.7073 3.9625 3.9625 6.1574 6.1574 6.3736 6.3736 6.5430 6.5430 6.9276 6.9276 7.0689 7.0689 7.5739 7.5739 7.7627 7.7627 8.2971 8.2971 8.6625 8.6625 8.7612 8.7612 8.8709 8.8709 k = 0.2373 0.2373-0.0000 ( 2809 PWs) bands (ev): -8.7229 -8.7229 -5.7358 -5.7358 -0.3458 -0.3458 1.9058 1.9058 2.7477 2.7477 3.6781 3.6781 3.8512 3.8512 6.1499 6.1499 6.3575 6.3575 6.5436 6.5436 6.9194 6.9194 7.0697 7.0697 7.5693 7.5693 7.7835 7.7835 8.3061 8.3061 8.6035 8.6035 8.8043 8.8043 8.8761 8.8761 k = 0.2288 0.2288-0.0000 ( 2801 PWs) bands (ev): -8.7866 -8.7866 -5.6649 -5.6649 -0.2966 -0.2966 1.8450 1.8450 2.9297 2.9297 3.5889 3.5889 3.7980 3.7980 6.1425 6.1425 6.3414 6.3414 6.5450 6.5450 6.9112 6.9112 7.0708 7.0708 7.5596 7.5596 7.8032 7.8032 8.3137 8.3137 8.5408 8.5408 8.8263 8.8263 8.9242 8.9242 k = 0.2203 0.2203-0.0000 ( 2797 PWs) bands (ev): -8.8484 -8.8484 -5.5926 -5.5926 -0.2470 -0.2470 1.7851 1.7851 3.1115 3.1115 3.4570 3.4570 3.7857 3.7857 6.1353 6.1353 6.3252 6.3252 6.5471 6.5471 6.9029 6.9029 7.0720 7.0720 7.5451 7.5451 7.8216 7.8216 8.3198 8.3198 8.4819 8.4819 8.8402 8.8402 8.9940 8.9940 k = 0.2119 0.2119-0.0000 ( 2797 PWs) bands (ev): -8.9084 -8.9084 -5.5189 -5.5189 -0.1973 -0.1973 1.7264 1.7264 3.2920 3.2920 3.3120 3.3120 3.7854 3.7854 6.1283 6.1283 6.3090 6.3090 6.5499 6.5499 6.8945 6.8945 7.0734 7.0734 7.5263 7.5263 7.8387 7.8387 8.3244 8.3244 8.4280 8.4280 8.8598 8.8598 9.0703 9.0703 k = 0.2034 0.2034-0.0000 ( 2793 PWs) bands (ev): -8.9665 -8.9665 -5.4439 -5.4439 -0.1475 -0.1475 1.6692 1.6692 3.1625 3.1625 3.4706 3.4706 3.7889 3.7889 6.1215 6.1215 6.2928 6.2928 6.5535 6.5535 6.8862 6.8862 7.0749 7.0749 7.5037 7.5037 7.8543 7.8543 8.3270 8.3270 8.3798 8.3798 8.8878 8.8878 9.1496 9.1496 k = 0.1949 0.1949-0.0000 ( 2801 PWs) bands (ev): -9.0225 -9.0225 -5.3678 -5.3678 -0.0978 -0.0978 1.6137 1.6137 3.0111 3.0111 3.6466 3.6466 3.7941 3.7941 6.1148 6.1148 6.2766 6.2766 6.5576 6.5576 6.8778 6.8778 7.0766 7.0766 7.4781 7.4781 7.8680 7.8680 8.3224 8.3224 8.3424 8.3424 8.9242 8.9242 9.2309 9.2309 k = 0.1864 0.1864-0.0000 ( 2803 PWs) bands (ev): -9.0765 -9.0765 -5.2907 -5.2907 -0.0484 -0.0484 1.5600 1.5600 2.8593 2.8593 3.7963 3.7963 3.8233 3.8233 6.1084 6.1084 6.2605 6.2605 6.5624 6.5624 6.8694 6.8694 7.0785 7.0785 7.4501 7.4501 7.8799 7.8799 8.2918 8.2918 8.3348 8.3348 8.9690 8.9690 9.3139 9.3139 k = 0.1780 0.1780-0.0000 ( 2803 PWs) bands (ev): -9.1284 -9.1284 -5.2128 -5.2128 0.0007 0.0007 1.5082 1.5082 2.7079 2.7079 3.8049 3.8049 3.9902 3.9902 6.1021 6.1021 6.2446 6.2446 6.5678 6.5678 6.8612 6.8612 7.0807 7.0807 7.4205 7.4205 7.8896 7.8896 8.2586 8.2586 8.3334 8.3334 9.0216 9.0216 9.3984 9.3984 k = 0.1695 0.1695-0.0000 ( 2803 PWs) bands (ev): -9.1781 -9.1781 -5.1343 -5.1343 0.0491 0.0491 1.4584 1.4584 2.5574 2.5574 3.8112 3.8112 4.1553 4.1553 6.0961 6.0961 6.2288 6.2288 6.5738 6.5738 6.8529 6.8529 7.0831 7.0831 7.3898 7.3898 7.8968 7.8968 8.2298 8.2298 8.3315 8.3315 9.0816 9.0816 9.4840 9.4840 k = 0.1610 0.1610-0.0000 ( 2797 PWs) bands (ev): -9.2256 -9.2256 -5.0555 -5.0555 0.0968 0.0968 1.4107 1.4107 2.4085 2.4085 3.8175 3.8175 4.3157 4.3157 6.0902 6.0902 6.2133 6.2133 6.5802 6.5802 6.8448 6.8448 7.0860 7.0860 7.3585 7.3585 7.9014 7.9014 8.2058 8.2058 8.3285 8.3285 9.1487 9.1487 9.5706 9.5706 k = 0.1525 0.1525-0.0000 ( 2807 PWs) bands (ev): -9.2708 -9.2708 -4.9764 -4.9764 0.1435 0.1435 1.3651 1.3651 2.2618 2.2618 3.8236 3.8236 4.4707 4.4707 6.0846 6.0846 6.1981 6.1981 6.5870 6.5870 6.8366 6.8366 7.0889 7.0889 7.3272 7.3272 7.9030 7.9030 8.1866 8.1866 8.3243 8.3243 9.2223 9.2223 9.6579 9.6579 k = 0.1441 0.1441-0.0000 ( 2807 PWs) bands (ev): -9.3138 -9.3138 -4.8975 -4.8975 0.1890 0.1890 1.3217 1.3217 2.1177 2.1177 3.8295 3.8295 4.6198 4.6198 6.0792 6.0792 6.1833 6.1833 6.5942 6.5942 6.8284 6.8284 7.0924 7.0924 7.2961 7.2961 7.9020 7.9020 8.1722 8.1722 8.3190 8.3190 9.3021 9.3021 9.7458 9.7458 k = 0.1356 0.1356-0.0000 ( 2807 PWs) bands (ev): -9.3545 -9.3545 -4.8191 -4.8191 0.2333 0.2333 1.2805 1.2805 1.9769 1.9769 3.8354 3.8354 4.7625 4.7625 6.0741 6.0741 6.1689 6.1689 6.6017 6.6017 6.8204 6.8204 7.0961 7.0961 7.2657 7.2657 7.8984 7.8984 8.1621 8.1621 8.3125 8.3125 9.3876 9.3876 9.8340 9.8340 k = 0.1271 0.1271-0.0000 ( 2807 PWs) bands (ev): -9.3928 -9.3928 -4.7414 -4.7414 0.2759 0.2759 1.2416 1.2416 1.8400 1.8400 3.8410 3.8410 4.8982 4.8982 6.0691 6.0691 6.1552 6.1552 6.6093 6.6093 6.8123 6.8123 7.1002 7.1002 7.2362 7.2362 7.8926 7.8926 8.1556 8.1556 8.3050 8.3050 9.4782 9.4782 9.9222 9.9222 k = 0.1186 0.1186-0.0000 ( 2805 PWs) bands (ev): -9.4288 -9.4288 -4.6648 -4.6648 0.3168 0.3168 1.2050 1.2050 1.7074 1.7074 3.8465 3.8465 5.0266 5.0266 6.0643 6.0643 6.1420 6.1420 6.6171 6.6171 6.8042 6.8042 7.1046 7.1046 7.2077 7.2077 7.8853 7.8853 8.1521 8.1521 8.2965 8.2965 9.5731 9.5731 10.0101 10.0101 k = 0.1102 0.1102-0.0000 ( 2813 PWs) bands (ev): -9.4624 -9.4624 -4.5898 -4.5898 0.3557 0.3557 1.1707 1.1707 1.5799 1.5799 3.8515 3.8515 5.1474 5.1474 6.0596 6.0596 6.1297 6.1297 6.6249 6.6249 6.7962 6.7962 7.1094 7.1094 7.1805 7.1805 7.8770 7.8770 8.1508 8.1508 8.2870 8.2870 9.6716 9.6716 10.0970 10.0970 k = 0.1017 0.1017-0.0000 ( 2813 PWs) bands (ev): -9.4936 -9.4936 -4.5168 -4.5168 0.3923 0.3923 1.1388 1.1388 1.4581 1.4581 3.8564 3.8564 5.2601 5.2601 6.0549 6.0549 6.1185 6.1185 6.6327 6.6327 6.7881 6.7881 7.1142 7.1142 7.1550 7.1550 7.8682 7.8682 8.1511 8.1511 8.2769 8.2769 9.7726 9.7726 10.1829 10.1829 k = 0.0932 0.0932-0.0000 ( 2809 PWs) bands (ev): -9.5224 -9.5224 -4.4463 -4.4463 0.4264 0.4264 1.1093 1.1093 1.3427 1.3427 3.8610 3.8610 5.3647 5.3647 6.0501 6.0501 6.1084 6.1084 6.6403 6.6403 6.7801 6.7801 7.1177 7.1177 7.1327 7.1327 7.8594 7.8594 8.1525 8.1525 8.2662 8.2662 9.8748 9.8748 10.2670 10.2670 k = 0.0847 0.0847-0.0000 ( 2811 PWs) bands (ev): -9.5487 -9.5487 -4.3789 -4.3789 0.4577 0.4577 1.0821 1.0821 1.2347 1.2347 3.8653 3.8653 5.4608 5.4608 6.0450 6.0450 6.0999 6.0999 6.6476 6.6476 6.7719 6.7719 7.1056 7.1056 7.1279 7.1279 7.8508 7.8508 8.1545 8.1545 8.2551 8.2551 9.9766 9.9766 10.3488 10.3488 k = 0.0763 0.0763-0.0000 ( 2813 PWs) bands (ev): -9.5725 -9.5725 -4.3151 -4.3151 0.4857 0.4857 1.0572 1.0572 1.1349 1.1349 3.8692 3.8692 5.5482 5.5482 6.0394 6.0394 6.0931 6.0931 6.6547 6.6547 6.7636 6.7636 7.0856 7.0856 7.1329 7.1329 7.8428 7.8428 8.1568 8.1568 8.2439 8.2439 10.0760 10.0760 10.4275 10.4275 k = 0.0678 0.0678-0.0000 ( 2813 PWs) bands (ev): -9.5939 -9.5939 -4.2556 -4.2556 0.5101 0.5101 1.0312 1.0312 1.0479 1.0479 3.8727 3.8727 5.6270 5.6270 6.0331 6.0331 6.0883 6.0883 6.6613 6.6613 6.7554 6.7554 7.0669 7.0669 7.1385 7.1385 7.8353 7.8353 8.1590 8.1590 8.2329 8.2329 10.1709 10.1709 10.5026 10.5026 k = 0.0593 0.0593-0.0000 ( 2811 PWs) bands (ev): -9.6128 -9.6128 -4.2009 -4.2009 0.5302 0.5302 0.9615 0.9615 1.0173 1.0173 3.8759 3.8759 5.6970 5.6970 6.0263 6.0263 6.0855 6.0855 6.6675 6.6675 6.7472 6.7472 7.0500 7.0500 7.1443 7.1443 7.8288 7.8288 8.1610 8.1610 8.2224 8.2224 10.2586 10.2586 10.5731 10.5731 k = 0.0508 0.0508-0.0000 ( 2807 PWs) bands (ev): -9.6292 -9.6292 -4.1518 -4.1518 0.5452 0.5452 0.8929 0.8929 0.9997 0.9997 3.8787 3.8787 5.7581 5.7581 6.0189 6.0189 6.0848 6.0848 6.6731 6.6731 6.7391 6.7391 7.0351 7.0351 7.1498 7.1498 7.8230 7.8230 8.1626 8.1626 8.2129 8.2129 10.3365 10.3365 10.6385 10.6385 k = 0.0424 0.0424-0.0000 ( 2803 PWs) bands (ev): -9.6431 -9.6431 -4.1089 -4.1089 0.5543 0.5543 0.8372 0.8372 0.9851 0.9851 3.8810 3.8810 5.8103 5.8103 6.0109 6.0109 6.0858 6.0858 6.6783 6.6783 6.7314 6.7314 7.0224 7.0224 7.1549 7.1549 7.8180 7.8180 8.1635 8.1635 8.2047 8.2047 10.4021 10.4021 10.6978 10.6978 k = 0.0339 0.0339-0.0000 ( 2803 PWs) bands (ev): -9.6544 -9.6544 -4.0728 -4.0728 0.5568 0.5568 0.7955 0.7955 0.9730 0.9730 3.8830 3.8830 5.8539 5.8539 6.0024 6.0024 6.0883 6.0883 6.6829 6.6829 6.7240 6.7240 7.0120 7.0120 7.1593 7.1593 7.8138 7.8138 8.1636 8.1636 8.1983 8.1983 10.4536 10.4536 10.7503 10.7503 k = 0.0254 0.0254-0.0000 ( 2803 PWs) bands (ev): -9.6633 -9.6633 -4.0441 -4.0441 0.5536 0.5536 0.7678 0.7678 0.9637 0.9637 3.8846 3.8846 5.8892 5.8892 5.9932 5.9932 6.0915 6.0915 6.6871 6.6871 6.7173 6.7173 7.0038 7.0038 7.1630 7.1630 7.8106 7.8106 8.1627 8.1627 8.1939 8.1939 10.4911 10.4911 10.7949 10.7949 k = 0.0169 0.0169-0.0000 ( 2803 PWs) bands (ev): -9.6696 -9.6696 -4.0232 -4.0232 0.5473 0.5473 0.7516 0.7516 0.9569 0.9569 3.8857 3.8857 5.9174 5.9174 5.9830 5.9830 6.0949 6.0949 6.6909 6.6909 6.7114 6.7114 6.9980 6.9980 7.1658 7.1658 7.8083 7.8083 8.1615 8.1615 8.1912 8.1912 10.5158 10.5158 10.8305 10.8305 k = 0.0085 0.0085-0.0000 ( 2803 PWs) bands (ev): -9.6734 -9.6734 -4.0105 -4.0105 0.5416 0.5416 0.7437 0.7437 0.9529 0.9529 3.8863 3.8863 5.9396 5.9396 5.9712 5.9712 6.0974 6.0974 6.6942 6.6942 6.7067 6.7067 6.9944 6.9944 7.1675 7.1675 7.8070 7.8070 8.1604 8.1604 8.1898 8.1898 10.5296 10.5296 10.8560 10.8560 k = 0.0000 0.0000 0.0000 ( 2799 PWs) bands (ev): -9.6747 -9.6747 -4.0062 -4.0062 0.5393 0.5393 0.7414 0.7414 0.9516 0.9516 3.8866 3.8866 5.9565 5.9565 5.9577 5.9577 6.0983 6.0983 6.6959 6.6959 6.7046 6.7046 6.9933 6.9933 7.1681 7.1681 7.8065 7.8065 8.1600 8.1600 8.1894 8.1894 10.5340 10.5340 10.8684 10.8684 k = 0.0000 0.0000 0.0000 ( 2799 PWs) bands (ev): -9.6747 -9.6747 -4.0062 -4.0062 0.5393 0.5393 0.7414 0.7414 0.9516 0.9516 3.8866 3.8866 5.9565 5.9565 5.9577 5.9577 6.0983 6.0983 6.6959 6.6959 6.7046 6.7046 6.9933 6.9933 7.1681 7.1681 7.8065 7.8065 8.1600 8.1600 8.1894 8.1894 10.5340 10.5340 10.8684 10.8684 k = 0.0000 0.0000 0.0118 ( 2799 PWs) bands (ev): -9.6746 -9.6746 -4.0062 -4.0062 0.5393 0.5393 0.7414 0.7414 0.9503 0.9503 3.8862 3.8862 5.9554 5.9554 5.9597 5.9597 6.0980 6.0980 6.6969 6.6969 6.7047 6.7047 6.9957 6.9957 7.1679 7.1679 7.8068 7.8068 8.1609 8.1609 8.1904 8.1904 10.5339 10.5339 10.8683 10.8683 k = 0.0000 0.0000 0.0236 ( 2799 PWs) bands (ev): -9.6745 -9.6745 -4.0061 -4.0061 0.5393 0.5393 0.7413 0.7413 0.9467 0.9467 3.8853 3.8853 5.9541 5.9541 5.9635 5.9635 6.0973 6.0973 6.6996 6.6996 6.7051 6.7051 7.0031 7.0031 7.1676 7.1676 7.8078 7.8078 8.1636 8.1636 8.1931 8.1931 10.5335 10.5335 10.8679 10.8679 k = 0.0000 0.0000 0.0353 ( 2815 PWs) bands (ev): -9.6743 -9.6743 -4.0060 -4.0060 0.5392 0.5392 0.7412 0.7412 0.9407 0.9407 3.8837 3.8837 5.9526 5.9526 5.9690 5.9690 6.0960 6.0960 6.7035 6.7035 6.7054 6.7054 7.0158 7.0158 7.1669 7.1669 7.8094 7.8094 8.1680 8.1680 8.1975 8.1975 10.5328 10.5328 10.8672 10.8672 k = 0.0000 0.0000 0.0471 ( 2803 PWs) bands (ev): -9.6740 -9.6740 -4.0059 -4.0059 0.5392 0.5392 0.7412 0.7412 0.9324 0.9324 3.8816 3.8816 5.9512 5.9512 5.9763 5.9763 6.0946 6.0946 6.7062 6.7062 6.7081 6.7081 7.0349 7.0349 7.1661 7.1661 7.8118 7.8118 8.1743 8.1743 8.2038 8.2038 10.5319 10.5319 10.8663 10.8663 k = 0.0000 0.0000 0.0589 ( 2799 PWs) bands (ev): -9.6737 -9.6737 -4.0056 -4.0056 0.5391 0.5391 0.7411 0.7411 0.9220 0.9220 3.8789 3.8789 5.9494 5.9494 5.9852 5.9852 6.0925 6.0925 6.7072 6.7072 6.7125 6.7125 7.0609 7.0609 7.1650 7.1650 7.8146 7.8146 8.1822 8.1822 8.2118 8.2118 10.5307 10.5307 10.8651 10.8651 k = 0.0000 0.0000 0.0707 ( 2807 PWs) bands (ev): -9.6733 -9.6733 -4.0054 -4.0054 0.5389 0.5389 0.7409 0.7409 0.9096 0.9096 3.8756 3.8756 5.9471 5.9471 5.9956 5.9956 6.0899 6.0899 6.7084 6.7084 6.7158 6.7158 7.0946 7.0946 7.1637 7.1637 7.8179 7.8179 8.1917 8.1917 8.2212 8.2212 10.5292 10.5292 10.8637 10.8637 k = 0.0000 0.0000 0.0824 ( 2811 PWs) bands (ev): -9.6728 -9.6728 -4.0051 -4.0051 0.5388 0.5388 0.7408 0.7408 0.8954 0.8954 3.8719 3.8719 5.9446 5.9446 6.0073 6.0073 6.0870 6.0870 6.7099 6.7099 6.7176 6.7176 7.1362 7.1362 7.1622 7.1622 7.8218 7.8218 8.2027 8.2027 8.2323 8.2323 10.5274 10.5274 10.8619 10.8619 k = 0.0000 0.0000 0.0942 ( 2811 PWs) bands (ev): -9.6723 -9.6723 -4.0048 -4.0048 0.5387 0.5387 0.7407 0.7407 0.8797 0.8797 3.8678 3.8678 5.9419 5.9419 6.0203 6.0203 6.0838 6.0838 6.7114 6.7114 6.7175 6.7175 7.1605 7.1605 7.1863 7.1863 7.8262 7.8262 8.2152 8.2152 8.2448 8.2448 10.5254 10.5254 10.8599 10.8599 k = 0.0000 0.0000 0.1060 ( 2811 PWs) bands (ev): -9.6717 -9.6717 -4.0044 -4.0044 0.5385 0.5385 0.7405 0.7405 0.8627 0.8627 3.8633 3.8633 5.9388 5.9388 6.0343 6.0343 6.0803 6.0803 6.7132 6.7132 6.7154 6.7154 7.1586 7.1586 7.2444 7.2444 7.8309 7.8309 8.2290 8.2290 8.2585 8.2585 10.5231 10.5231 10.8576 10.8576 k = 0.0000 0.0000 0.1178 ( 2811 PWs) bands (ev): -9.6711 -9.6711 -4.0041 -4.0041 0.5383 0.5383 0.7403 0.7403 0.8445 0.8445 3.8584 3.8584 5.9356 5.9356 6.0492 6.0492 6.0765 6.0765 6.7114 6.7114 6.7151 6.7151 7.1566 7.1566 7.3105 7.3105 7.8360 7.8360 8.2439 8.2439 8.2734 8.2734 10.5205 10.5205 10.8551 10.8551 k = 0.0000 0.0000 0.1295 ( 2799 PWs) bands (ev): -9.6704 -9.6704 -4.0037 -4.0037 0.5382 0.5382 0.7401 0.7401 0.8256 0.8256 3.8533 3.8533 5.9323 5.9323 6.0651 6.0651 6.0727 6.0727 6.7057 6.7057 6.7172 6.7172 7.1544 7.1544 7.3841 7.3841 7.8414 7.8414 8.2598 8.2598 8.2893 8.2893 10.5177 10.5177 10.8522 10.8522 k = 0.0000 0.0000 0.1413 ( 2799 PWs) bands (ev): -9.6697 -9.6697 -4.0032 -4.0032 0.5380 0.5380 0.7399 0.7399 0.8060 0.8060 3.8479 3.8479 5.9287 5.9287 6.0686 6.0686 6.0815 6.0815 6.6983 6.6983 6.7193 6.7193 7.1521 7.1521 7.4644 7.4644 7.8470 7.8470 8.2766 8.2766 8.3060 8.3060 10.5146 10.5146 10.8491 10.8491 k = 0.0000 0.0000 0.1531 ( 2807 PWs) bands (ev): -9.6690 -9.6690 -4.0028 -4.0028 0.5378 0.5378 0.7397 0.7397 0.7861 0.7861 3.8424 3.8424 5.9250 5.9250 6.0644 6.0644 6.0985 6.0985 6.6890 6.6890 6.7216 6.7216 7.1497 7.1497 7.5510 7.5510 7.8528 7.8528 8.2941 8.2941 8.3234 8.3234 10.5112 10.5112 10.8457 10.8457 k = 0.0000 0.0000 0.1649 ( 2807 PWs) bands (ev): -9.6683 -9.6683 -4.0024 -4.0024 0.5376 0.5376 0.7395 0.7395 0.7661 0.7661 3.8368 3.8368 5.9213 5.9213 6.0603 6.0603 6.1161 6.1161 6.6787 6.6787 6.7239 6.7239 7.1472 7.1472 7.6432 7.6432 7.8586 7.8586 8.3121 8.3121 8.3412 8.3412 10.5076 10.5076 10.8420 10.8420 k = 0.0000 0.0000 0.1766 ( 2807 PWs) bands (ev): -9.6675 -9.6675 -4.0019 -4.0019 0.5374 0.5374 0.7392 0.7392 0.7463 0.7463 3.8312 3.8312 5.9176 5.9176 6.0561 6.0561 6.1342 6.1342 6.6671 6.6671 6.7262 6.7262 7.1447 7.1447 7.7403 7.7403 7.8645 7.8645 8.3304 8.3304 8.3593 8.3593 10.5039 10.5039 10.8382 10.8382 k = 0.0000 0.0000 0.1884 ( 2798 PWs) bands (ev): -9.6668 -9.6668 -4.0015 -4.0015 0.5372 0.5372 0.7267 0.7267 0.7392 0.7392 3.8257 3.8257 5.9140 5.9140 6.0521 6.0521 6.1528 6.1528 6.6544 6.6544 6.7286 6.7286 7.1423 7.1423 7.8414 7.8414 7.8703 7.8703 8.3488 8.3488 8.3774 8.3774 10.5001 10.5001 10.8341 10.8341 k = 0.0000 0.0000 0.2002 ( 2790 PWs) bands (ev): -9.6661 -9.6661 -4.0010 -4.0010 0.5371 0.5371 0.7078 0.7078 0.7390 0.7390 3.8203 3.8203 5.9105 5.9105 6.0481 6.0481 6.1719 6.1719 6.6408 6.6408 6.7310 6.7310 7.1398 7.1398 7.8760 7.8760 7.9458 7.9458 8.3673 8.3673 8.3955 8.3955 10.4961 10.4961 10.8300 10.8300 k = 0.0000 0.0000 0.2120 ( 2794 PWs) bands (ev): -9.6654 -9.6654 -4.0006 -4.0006 0.5369 0.5369 0.6896 0.6896 0.7388 0.7388 3.8150 3.8150 5.9070 5.9070 6.0442 6.0442 6.1912 6.1912 6.6261 6.6261 6.7333 6.7333 7.1373 7.1373 7.8814 7.8814 8.0522 8.0522 8.3855 8.3855 8.4131 8.4131 10.4921 10.4921 10.8257 10.8257 k = 0.0000 0.0000 0.2237 ( 2802 PWs) bands (ev): -9.6647 -9.6647 -4.0002 -4.0002 0.5367 0.5367 0.6724 0.6724 0.7386 0.7386 3.8099 3.8099 5.9036 5.9036 6.0405 6.0405 6.2109 6.2109 6.6105 6.6105 6.7355 6.7355 7.1349 7.1349 7.8865 7.8865 8.1594 8.1594 8.4034 8.4034 8.4301 8.4301 10.4882 10.4882 10.8213 10.8213 k = 0.0000 0.0000 0.2355 ( 2810 PWs) bands (ev): -9.6641 -9.6641 -3.9999 -3.9999 0.5365 0.5365 0.6563 0.6563 0.7384 0.7384 3.8052 3.8052 5.9005 5.9005 6.0370 6.0370 6.2309 6.2309 6.5941 6.5941 6.7375 6.7375 7.1325 7.1325 7.8914 7.8914 8.2657 8.2657 8.4213 8.4213 8.4464 8.4464 10.4845 10.4845 10.8171 10.8171 k = 0.0000 0.0000 0.2473 ( 2814 PWs) bands (ev): -9.6635 -9.6635 -3.9995 -3.9995 0.5364 0.5364 0.6415 0.6415 0.7383 0.7383 3.8008 3.8008 5.8976 5.8976 6.0338 6.0338 6.2511 6.2511 6.5770 6.5770 6.7395 6.7395 7.1303 7.1303 7.8960 7.8960 8.3666 8.3666 8.4420 8.4420 8.4616 8.4616 10.4810 10.4810 10.8129 10.8129 k = 0.0000 0.0000 0.2591 ( 2810 PWs) bands (ev): -9.6630 -9.6630 -3.9992 -3.9992 0.5362 0.5362 0.6282 0.6282 0.7381 0.7381 3.7968 3.7968 5.8951 5.8951 6.0310 6.0310 6.2715 6.2715 6.5593 6.5593 6.7414 6.7414 7.1284 7.1284 7.9001 7.9001 8.4334 8.4334 8.4756 8.4756 8.4921 8.4921 10.4778 10.4778 10.8090 10.8090 k = 0.0000 0.0000 0.2708 ( 2806 PWs) bands (ev): -9.6625 -9.6625 -3.9989 -3.9989 0.5361 0.5361 0.6163 0.6163 0.7380 0.7380 3.7933 3.7933 5.8928 5.8928 6.0284 6.0284 6.2922 6.2922 6.5412 6.5412 6.7430 6.7430 7.1267 7.1267 7.9038 7.9038 8.4547 8.4547 8.4882 8.4882 8.5806 8.5806 10.4750 10.4750 10.8054 10.8054 k = 0.0000 0.0000 0.2826 ( 2802 PWs) bands (ev): -9.6621 -9.6621 -3.9986 -3.9986 0.5360 0.5360 0.6061 0.6061 0.7379 0.7379 3.7902 3.7902 5.8909 5.8909 6.0263 6.0263 6.3128 6.3128 6.5225 6.5225 6.7445 6.7445 7.1251 7.1251 7.9070 7.9070 8.4678 8.4678 8.4993 8.4993 8.6678 8.6678 10.4726 10.4726 10.8022 10.8022 k = 0.0000 0.0000 0.2944 ( 2814 PWs) bands (ev): -9.6618 -9.6618 -3.9984 -3.9984 0.5359 0.5359 0.5977 0.5977 0.7378 0.7378 3.7877 3.7877 5.8890 5.8890 6.0243 6.0243 6.3334 6.3334 6.5035 6.5035 6.7457 6.7457 7.1237 7.1237 7.9096 7.9096 8.4780 8.4780 8.5085 8.5085 8.7456 8.7456 10.4707 10.4707 10.7993 10.7993 k = 0.0000 0.0000 0.3062 ( 2806 PWs) bands (ev): -9.6615 -9.6615 -3.9983 -3.9983 0.5359 0.5359 0.5910 0.5910 0.7377 0.7377 3.7857 3.7857 5.8877 5.8877 6.0228 6.0228 6.3537 6.3537 6.4843 6.4843 6.7468 6.7468 7.1227 7.1227 7.9117 7.9117 8.4860 8.4860 8.5160 8.5160 8.8103 8.8103 10.4694 10.4694 10.7971 10.7971 k = 0.0000 0.0000 0.3180 ( 2794 PWs) bands (ev): -9.6613 -9.6613 -3.9981 -3.9981 0.5358 0.5358 0.5862 0.5862 0.7377 0.7377 3.7844 3.7844 5.8867 5.8867 6.0218 6.0218 6.3734 6.3734 6.4656 6.4656 6.7475 6.7475 7.1219 7.1219 7.9133 7.9133 8.4918 8.4918 8.5214 8.5214 8.8591 8.8591 10.4685 10.4685 10.7954 10.7954 k = 0.0000 0.0000 0.3297 ( 2802 PWs) bands (ev): -9.6612 -9.6612 -3.9981 -3.9981 0.5358 0.5358 0.5834 0.5834 0.7377 0.7377 3.7835 3.7835 5.8862 5.8862 6.0212 6.0212 6.3909 6.3909 6.4486 6.4486 6.7479 6.7479 7.1214 7.1214 7.9142 7.9142 8.4951 8.4951 8.5246 8.5246 8.8895 8.8895 10.4679 10.4679 10.7944 10.7944 k = 0.0000 0.0000 0.3415 ( 2798 PWs) bands (ev): -9.6611 -9.6611 -3.9980 -3.9980 0.5358 0.5358 0.5824 0.5824 0.7377 0.7377 3.7832 3.7832 5.8860 5.8860 6.0210 6.0210 6.3998 6.3998 6.4399 6.4399 6.7481 6.7481 7.1213 7.1213 7.9145 7.9145 8.4963 8.4963 8.5257 8.5257 8.8998 8.8998 10.4678 10.4678 10.7940 10.7940 k = 0.0000 0.0000 0.3415 ( 2798 PWs) bands (ev): -9.6611 -9.6611 -3.9980 -3.9980 0.5358 0.5358 0.5824 0.5824 0.7377 0.7377 3.7832 3.7832 5.8860 5.8860 6.0210 6.0210 6.3998 6.3998 6.4399 6.4399 6.7481 6.7481 7.1213 7.1213 7.9145 7.9145 8.4963 8.4963 8.5257 8.5257 8.8998 8.8998 10.4678 10.4678 10.7940 10.7940 k = 0.0000 0.0119 0.3415 ( 2802 PWs) bands (ev): -9.6599 -9.6599 -4.0023 -4.0023 0.5381 0.5381 0.5837 0.5837 0.7399 0.7399 3.7830 3.7830 5.8837 5.8837 6.0186 6.0186 6.4008 6.4008 6.4402 6.4402 6.7491 6.7491 7.1211 7.1211 7.9147 7.9147 8.4854 8.4854 8.5193 8.5193 8.9185 8.9185 10.4624 10.4624 10.7840 10.7840 k = 0.0000 0.0238 0.3415 ( 2798 PWs) bands (ev): -9.6561 -9.6561 -4.0149 -4.0149 0.5449 0.5449 0.5878 0.5878 0.7468 0.7468 3.7824 3.7824 5.8768 5.8768 6.0119 6.0119 6.4040 6.4040 6.4411 6.4411 6.7521 6.7521 7.1204 7.1204 7.9155 7.9155 8.4456 8.4456 8.5150 8.5150 8.9669 8.9669 10.4460 10.4460 10.7566 10.7566 k = 0.0000 0.0357 0.3415 ( 2798 PWs) bands (ev): -9.6499 -9.6499 -4.0357 -4.0357 0.5561 0.5561 0.5946 0.5946 0.7584 0.7584 3.7813 3.7813 5.8647 5.8647 6.0014 6.0014 6.4091 6.4091 6.4427 6.4427 6.7569 6.7569 7.1192 7.1192 7.9166 7.9166 8.3872 8.3872 8.5150 8.5150 9.0322 9.0322 10.4183 10.4183 10.7164 10.7164 k = 0.0000 0.0476 0.3415 ( 2794 PWs) bands (ev): -9.6412 -9.6412 -4.0646 -4.0646 0.5711 0.5711 0.6041 0.6041 0.7749 0.7749 3.7798 3.7798 5.8469 5.8469 5.9881 5.9881 6.4160 6.4160 6.4451 6.4451 6.7633 6.7633 7.1176 7.1176 7.9182 7.9182 8.3211 8.3211 8.5165 8.5165 9.1062 9.1062 10.3788 10.3788 10.6673 10.6673 k = 0.0000 0.0595 0.3415 ( 2792 PWs) bands (ev): -9.6300 -9.6300 -4.1013 -4.1013 0.5896 0.5896 0.6162 0.6162 0.7966 0.7966 3.7777 3.7777 5.8227 5.8227 5.9730 5.9730 6.4243 6.4243 6.4488 6.4488 6.7709 6.7709 7.1155 7.1155 7.9200 7.9200 8.2523 8.2523 8.5188 8.5188 9.1847 9.1847 10.3267 10.3267 10.6123 10.6123 k = 0.0000 0.0714 0.3415 ( 2790 PWs) bands (ev): -9.6163 -9.6163 -4.1453 -4.1453 0.6109 0.6109 0.6310 0.6310 0.8237 0.8237 3.7751 3.7751 5.7917 5.7917 5.9568 5.9568 6.4332 6.4332 6.4543 6.4543 6.7793 6.7793 7.1129 7.1129 7.9217 7.9217 8.1832 8.1832 8.5218 8.5218 9.2651 9.2651 10.2619 10.2619 10.5540 10.5540 k = 0.0000 0.0833 0.3415 ( 2790 PWs) bands (ev): -9.6002 -9.6002 -4.1964 -4.1964 0.6346 0.6346 0.6485 0.6485 0.8564 0.8564 3.7718 3.7718 5.7538 5.7538 5.9400 5.9400 6.4413 6.4413 6.4630 6.4630 6.7884 6.7884 7.1100 7.1100 7.9228 7.9228 8.1156 8.1156 8.5253 8.5253 9.3459 9.3459 10.1844 10.1844 10.4942 10.4942 k = 0.0000 0.0952 0.3415 ( 2782 PWs) bands (ev): -9.5816 -9.5816 -4.2540 -4.2540 0.6603 0.6603 0.6687 0.6687 0.8948 0.8948 3.7679 3.7679 5.7094 5.7094 5.9224 5.9224 6.4480 6.4480 6.4755 6.4755 6.7978 6.7978 7.1067 7.1067 7.9213 7.9213 8.0522 8.0522 8.5296 8.5296 9.4260 9.4260 10.0955 10.0955 10.4337 10.4337 k = 0.0000 0.1071 0.3415 ( 2786 PWs) bands (ev): -9.5605 -9.5605 -4.3177 -4.3177 0.6877 0.6877 0.6914 0.6914 0.9386 0.9386 3.7631 3.7631 5.6590 5.6590 5.9039 5.9039 6.4540 6.4540 6.4909 6.4909 6.8073 6.8073 7.1029 7.1029 7.9102 7.9102 8.0004 8.0004 8.5342 8.5342 9.5039 9.5039 9.9971 9.9971 10.3728 10.3728 k = 0.0000 0.1190 0.3415 ( 2790 PWs) bands (ev): -9.5369 -9.5369 -4.3871 -4.3871 0.7162 0.7162 0.7173 0.7173 0.9877 0.9877 3.7574 3.7574 5.6031 5.6031 5.8844 5.8844 6.4598 6.4598 6.5083 6.5083 6.8168 6.8168 7.0988 7.0988 7.8758 7.8758 7.9743 7.9743 8.5393 8.5393 9.5776 9.5776 9.8925 9.8925 10.3117 10.3117 k = 0.0000 0.1310 0.3415 ( 2782 PWs) bands (ev): -9.5109 -9.5109 -4.4616 -4.4616 0.7444 0.7444 0.7477 0.7477 1.0417 1.0417 3.7508 3.7508 5.5423 5.5423 5.8637 5.8637 6.4659 6.4659 6.5273 6.5273 6.8261 6.8261 7.0944 7.0944 7.8230 7.8230 7.9690 7.9690 8.5450 8.5450 9.6371 9.6371 9.7926 9.7926 10.2503 10.2503 k = 0.0000 0.1429 0.3415 ( 2782 PWs) bands (ev): -9.4824 -9.4824 -4.5408 -4.5408 0.7748 0.7748 0.7802 0.7802 1.1003 1.1003 3.7431 3.7431 5.4768 5.4768 5.8412 5.8412 6.4724 6.4724 6.5474 6.5474 6.8351 6.8351 7.0897 7.0897 7.7655 7.7655 7.9713 7.9713 8.5512 8.5512 9.6143 9.6143 9.7663 9.7663 10.1889 10.1889 k = 0.0000 0.1548 0.3415 ( 2788 PWs) bands (ev): -9.4516 -9.4516 -4.6243 -4.6243 0.8077 0.8077 0.8144 0.8144 1.1629 1.1629 3.7341 3.7341 5.4072 5.4072 5.8170 5.8170 6.4795 6.4795 6.5684 6.5684 6.8435 6.8435 7.0846 7.0846 7.7079 7.7079 7.9764 7.9764 8.5578 8.5578 9.5056 9.5056 9.8173 9.8173 10.1285 10.1285 k = 0.0000 0.1667 0.3415 ( 2792 PWs) bands (ev): -9.4182 -9.4182 -4.7117 -4.7117 0.8429 0.8429 0.8504 0.8504 1.2293 1.2293 3.7238 3.7238 5.3337 5.3337 5.7909 5.7909 6.4872 6.4872 6.5899 6.5899 6.8517 6.8517 7.0794 7.0794 7.6516 7.6516 7.9830 7.9830 8.5649 8.5649 9.3813 9.3813 9.8731 9.8731 10.0722 10.0722 k = 0.0000 0.1786 0.3415 ( 2792 PWs) bands (ev): -9.3825 -9.3825 -4.8024 -4.8024 0.8806 0.8806 0.8884 0.8884 1.2991 1.2991 3.7120 3.7120 5.2569 5.2569 5.7628 5.7628 6.4957 6.4957 6.6117 6.6117 6.8594 6.8594 7.0740 7.0740 7.5974 7.5974 7.9908 7.9908 8.5724 8.5724 9.2524 9.2524 9.9087 9.9087 10.0348 10.0348 k = 0.0000 0.1905 0.3415 ( 2804 PWs) bands (ev): -9.3444 -9.3444 -4.8962 -4.8962 0.9205 0.9205 0.9285 0.9285 1.3719 1.3719 3.6985 3.6985 5.1768 5.1768 5.7323 5.7323 6.5047 6.5047 6.6336 6.6336 6.8665 6.8665 7.0682 7.0682 7.5453 7.5453 7.9994 7.9994 8.5802 8.5802 9.1213 9.1213 9.8886 9.8886 10.0478 10.0478 k = 0.0000 0.2024 0.3415 ( 2798 PWs) bands (ev): -9.3039 -9.3039 -4.9926 -4.9926 0.9627 0.9627 0.9706 0.9706 1.4476 1.4476 3.6834 3.6834 5.0939 5.0939 5.6996 5.6996 6.5146 6.5146 6.6551 6.6551 6.8734 6.8734 7.0626 7.0626 7.4957 7.4957 8.0088 8.0088 8.5885 8.5885 8.9893 8.9893 9.8334 9.8334 9.9866 9.9866 k = 0.0000 0.2143 0.3415 ( 2794 PWs) bands (ev): -9.2609 -9.2609 -5.0913 -5.0913 1.0071 1.0071 1.0149 1.0149 1.5258 1.5258 3.6663 3.6663 5.0083 5.0083 5.6644 5.6644 6.5252 6.5252 6.6761 6.6761 6.8797 6.8797 7.0568 7.0568 7.4487 7.4487 8.0190 8.0190 8.5971 8.5971 8.8576 8.8576 9.7684 9.7684 9.9158 9.9158 k = 0.0000 0.2262 0.3415 ( 2794 PWs) bands (ev): -9.2157 -9.2157 -5.1921 -5.1921 1.0536 1.0536 1.0614 1.0614 1.6063 1.6063 3.6473 3.6473 4.9202 4.9202 5.6264 5.6264 6.5365 6.5365 6.6963 6.6963 6.8856 6.8856 7.0509 7.0509 7.4044 7.4044 8.0299 8.0299 8.6059 8.6059 8.7268 8.7268 9.6996 9.6996 9.8485 9.8485 k = 0.0000 0.2381 0.3415 ( 2802 PWs) bands (ev): -9.1681 -9.1681 -5.2945 -5.2945 1.1021 1.1021 1.1100 1.1100 1.6890 1.6890 3.6261 3.6261 4.8300 4.8300 5.5857 5.5857 6.5485 6.5485 6.7153 6.7153 6.8911 6.8911 7.0449 7.0449 7.3629 7.3629 8.0414 8.0414 8.5939 8.5939 8.6186 8.6186 9.6290 9.6290 9.7848 9.7848 k = 0.0000 0.2500 0.3415 ( 2802 PWs) bands (ev): -9.1181 -9.1181 -5.3984 -5.3984 1.1527 1.1527 1.1608 1.1608 1.7736 1.7736 3.6026 3.6026 4.7380 4.7380 5.5419 5.5419 6.5612 6.5612 6.7330 6.7330 6.8962 6.8962 7.0389 7.0389 7.3244 7.3244 8.0535 8.0535 8.4691 8.4691 8.6260 8.6260 9.5577 9.5577 9.7245 9.7245 k = 0.0000 0.2619 0.3415 ( 2800 PWs) bands (ev): -9.0658 -9.0658 -5.5034 -5.5034 1.2053 1.2053 1.2138 1.2138 1.8601 1.8601 3.5769 3.5769 4.6442 4.6442 5.4951 5.4951 6.5747 6.5747 6.7490 6.7490 6.9009 6.9009 7.0330 7.0330 7.2890 7.2890 8.0662 8.0662 8.3449 8.3449 8.6360 8.6360 9.4867 9.4867 9.6673 9.6673 k = 0.0000 0.2738 0.3415 ( 2800 PWs) bands (ev): -9.0113 -9.0113 -5.6093 -5.6093 1.2598 1.2598 1.2688 1.2688 1.9483 1.9483 3.5487 3.5487 4.5489 4.5489 5.4450 5.4450 6.5888 6.5888 6.7632 6.7632 6.9053 6.9053 7.0270 7.0270 7.2567 7.2567 8.0789 8.0789 8.2244 8.2244 8.6465 8.6465 9.4165 9.4165 9.6129 9.6129 k = 0.0000 0.2857 0.3415 ( 2814 PWs) bands (ev): -8.9544 -8.9544 -5.7159 -5.7159 1.3162 1.3162 1.3259 1.3259 2.0382 2.0382 3.5180 3.5180 4.4523 4.4523 5.3915 5.3915 6.6035 6.6035 6.7753 6.7753 6.9091 6.9091 7.0210 7.0210 7.2276 7.2276 8.0820 8.0820 8.1180 8.1180 8.6573 8.6573 9.3478 9.3478 9.5611 9.5611 k = 0.0000 0.2976 0.3415 ( 2812 PWs) bands (ev): -8.8953 -8.8953 -5.8231 -5.8231 1.3746 1.3746 1.3849 1.3849 2.1295 2.1295 3.4848 3.4848 4.3548 4.3548 5.3345 5.3345 6.6187 6.6187 6.7855 6.7855 6.9127 6.9127 7.0151 7.0151 7.2019 7.2019 7.9885 7.9885 8.1132 8.1132 8.6686 8.6686 9.2810 9.2810 9.5116 9.5116 k = 0.0000 0.3095 0.3415 ( 2814 PWs) bands (ev): -8.8340 -8.8340 -5.9305 -5.9305 1.4347 1.4347 1.4458 1.4458 2.2222 2.2222 3.4490 3.4490 4.2563 4.2563 5.2738 5.2738 6.6342 6.6342 6.7936 6.7936 6.9159 6.9159 7.0092 7.0092 7.1793 7.1793 7.8809 7.8809 8.1278 8.1278 8.6802 8.6802 9.2163 9.2163 9.4644 9.4644 k = 0.0000 0.3214 0.3415 ( 2812 PWs) bands (ev): -8.7705 -8.7705 -6.0380 -6.0380 1.4966 1.4966 1.5087 1.5087 2.3163 2.3163 3.4107 3.4107 4.1573 4.1573 5.2095 5.2095 6.6500 6.6500 6.8000 6.8000 6.9188 6.9188 7.0033 7.0033 7.1598 7.1598 7.7776 7.7776 8.1441 8.1441 8.6922 8.6922 9.1540 9.1540 9.4193 9.4193 k = 0.0000 0.3333 0.3415 ( 2816 PWs) bands (ev): -8.7048 -8.7048 -6.1455 -6.1455 1.5600 1.5600 1.5735 1.5735 2.4115 2.4115 3.3700 3.3700 4.0577 4.0577 5.1413 5.1413 6.6657 6.6657 6.8050 6.8050 6.9213 6.9213 6.9975 6.9975 7.1429 7.1429 7.6796 7.6796 8.1613 8.1613 8.7046 8.7046 9.0942 9.0942 9.3762 9.3762 k = 0.0000 0.3452 0.3415 ( 2820 PWs) bands (ev): -8.6369 -8.6369 -6.2527 -6.2527 1.6248 1.6248 1.6402 1.6402 2.5076 2.5076 3.3269 3.3269 3.9579 3.9579 5.0694 5.0694 6.6811 6.6811 6.8091 6.8091 6.9235 6.9235 6.9918 6.9918 7.1283 7.1283 7.5872 7.5872 8.1794 8.1794 8.7174 8.7174 9.0369 9.0369 9.3351 9.3351 k = 0.0000 0.3571 0.3415 ( 2820 PWs) bands (ev): -8.5669 -8.5669 -6.3596 -6.3596 1.6908 1.6908 1.7088 1.7088 2.6045 2.6045 3.2817 3.2817 3.8580 3.8580 4.9937 4.9937 6.6957 6.6957 6.8130 6.8130 6.9256 6.9256 6.9862 6.9862 7.1156 7.1156 7.5009 7.5009 8.1982 8.1982 8.7305 8.7305 8.9823 8.9823 9.2958 9.2958 k = 0.0000 0.3690 0.3415 ( 2822 PWs) bands (ev): -8.4948 -8.4948 -6.4660 -6.4660 1.7579 1.7579 1.7794 1.7794 2.7016 2.7016 3.2350 3.2350 3.7581 3.7581 4.9143 4.9143 6.7093 6.7093 6.8175 6.8175 6.9275 6.9275 6.9806 6.9806 7.1040 7.1040 7.4210 7.4210 8.2178 8.2178 8.7439 8.7439 8.9304 8.9304 9.2582 9.2582 k = 0.0000 0.3810 0.3415 ( 2830 PWs) bands (ev): -8.4206 -8.4206 -6.5719 -6.5719 1.8258 1.8258 1.8519 1.8519 2.7978 2.7978 3.1878 3.1878 3.6585 3.6585 4.8314 4.8314 6.7212 6.7212 6.8233 6.8233 6.9292 6.9292 6.9752 6.9752 7.0930 7.0930 7.3477 7.3477 8.2382 8.2382 8.7570 8.7570 8.8816 8.8816 9.2223 9.2223 k = 0.0000 0.3929 0.3415 ( 2822 PWs) bands (ev): -8.3444 -8.3444 -6.6769 -6.6769 1.8945 1.8945 1.9263 1.9263 2.8895 2.8895 3.1438 3.1438 3.5594 3.5594 4.7452 4.7452 6.7315 6.7315 6.8311 6.8311 6.9309 6.9309 6.9698 6.9698 7.0821 7.0821 7.2815 7.2815 8.2594 8.2594 8.7685 8.7685 8.8375 8.8375 9.1881 9.1881 k = 0.0000 0.4048 0.3415 ( 2822 PWs) bands (ev): -8.2662 -8.2662 -6.7811 -6.7811 1.9638 1.9638 2.0024 2.0024 2.9603 2.9603 3.1192 3.1192 3.4611 3.4611 4.6558 4.6558 6.7402 6.7402 6.8407 6.8407 6.9326 6.9326 6.9643 6.9643 7.0704 7.0704 7.2226 7.2226 8.2814 8.2814 8.7667 8.7667 8.8095 8.8095 9.1554 9.1554 k = 0.0000 0.4167 0.3415 ( 2822 PWs) bands (ev): -8.1860 -8.1860 -6.8844 -6.8844 2.0334 2.0334 2.0800 2.0800 2.9670 2.9670 3.1569 3.1569 3.3644 3.3644 4.5635 4.5635 6.7479 6.7479 6.8515 6.8515 6.9341 6.9341 6.9588 6.9588 7.0574 7.0574 7.1720 7.1720 8.3042 8.3042 8.7354 8.7354 8.8137 8.8137 9.1242 9.1242 k = 0.0000 0.4286 0.3415 ( 2814 PWs) bands (ev): -8.1039 -8.1039 -6.9866 -6.9866 2.1032 2.1032 2.1591 2.1591 2.9261 2.9261 3.2283 3.2283 3.2815 3.2815 4.4686 4.4686 6.7554 6.7554 6.8624 6.8624 6.9353 6.9353 6.9535 6.9535 7.0427 7.0427 7.1305 7.1305 8.3279 8.3279 8.6970 8.6970 8.8279 8.8279 9.0944 9.0944 k = 0.0000 0.4405 0.3415 ( 2822 PWs) bands (ev): -8.0199 -8.0199 -7.0877 -7.0877 2.1730 2.1730 2.2391 2.2391 2.8726 2.8726 3.1646 3.1646 3.3470 3.3470 4.3714 4.3714 6.7633 6.7633 6.8714 6.8714 6.9356 6.9356 6.9490 6.9490 7.0265 7.0265 7.0982 7.0982 8.3524 8.3524 8.6589 8.6589 8.8443 8.8443 9.0660 9.0660 k = 0.0000 0.4524 0.3415 ( 2818 PWs) bands (ev): -7.9341 -7.9341 -7.1876 -7.1876 2.2423 2.2423 2.3195 2.3195 2.8154 2.8154 3.0716 3.0716 3.4470 3.4470 4.2723 4.2723 6.7723 6.7723 6.8754 6.8754 6.9346 6.9346 6.9471 6.9471 7.0118 7.0118 7.0739 7.0739 8.3779 8.3779 8.6222 8.6222 8.8620 8.8620 9.0389 9.0389 k = 0.0000 0.4643 0.3415 ( 2818 PWs) bands (ev): -7.8465 -7.8465 -7.2862 -7.2862 2.3108 2.3108 2.3981 2.3981 2.7587 2.7587 2.9793 2.9793 3.5498 3.5498 4.1715 4.1715 6.7829 6.7829 6.8709 6.8709 6.9348 6.9348 6.9474 6.9474 7.0021 7.0021 7.0548 7.0548 8.4043 8.4043 8.5870 8.5870 8.8806 8.8806 9.0130 9.0130 k = 0.0000 0.4762 0.3415 ( 2822 PWs) bands (ev): -7.7571 -7.7571 -7.3834 -7.3834 2.3774 2.3774 2.4692 2.4692 2.7092 2.7092 2.8892 2.8892 3.6537 3.6537 4.0693 4.0693 6.7952 6.7952 6.8586 6.8586 6.9374 6.9374 6.9475 6.9475 6.9994 6.9994 7.0387 7.0387 8.4317 8.4317 8.5532 8.5532 8.9002 8.9002 8.9883 8.9883 k = 0.0000 0.4881 0.3415 ( 2826 PWs) bands (ev): -7.6661 -7.6661 -7.4792 -7.4792 2.4402 2.4402 2.5104 2.5104 2.6895 2.6895 2.8038 2.8038 3.7580 3.7580 3.9661 3.9661 6.8095 6.8095 6.8423 6.8423 6.9409 6.9409 6.9464 6.9464 7.0035 7.0035 7.0246 7.0246 8.4602 8.4602 8.5209 8.5209 8.9207 8.9207 8.9648 8.9648 k = 0.0000 0.5000 0.3415 ( 2820 PWs) bands (ev): -7.5734 -7.5734 -7.5734 -7.5734 2.4923 2.4923 2.4923 2.4923 2.7294 2.7294 2.7294 2.7294 3.8623 3.8623 3.8623 3.8623 6.8254 6.8254 6.8254 6.8254 6.9442 6.9442 6.9442 6.9442 7.0125 7.0125 7.0125 7.0125 8.4899 8.4899 8.4899 8.4899 8.9423 8.9423 8.9423 8.9423 k = 0.0000 0.5000 0.3415 ( 2820 PWs) bands (ev): -7.5734 -7.5734 -7.5734 -7.5734 2.4923 2.4923 2.4923 2.4923 2.7294 2.7294 2.7294 2.7294 3.8623 3.8623 3.8623 3.8623 6.8254 6.8254 6.8254 6.8254 6.9442 6.9442 6.9442 6.9442 7.0125 7.0125 7.0125 7.0125 8.4899 8.4899 8.4899 8.4899 8.9423 8.9423 8.9423 8.9423 k = 0.0119 0.5000 0.3415 ( 2824 PWs) bands (ev): -7.5727 -7.5727 -7.5725 -7.5725 2.4727 2.4727 2.5052 2.5052 2.6915 2.6915 2.7382 2.7382 3.8717 3.8717 3.8880 3.8880 6.8166 6.8166 6.8303 6.8303 6.9342 6.9342 6.9569 6.9569 7.0089 7.0089 7.0170 7.0170 8.4843 8.4843 8.4935 8.4935 8.9418 8.9418 8.9499 8.9499 k = 0.0238 0.5000 0.3415 ( 2824 PWs) bands (ev): -7.5705 -7.5705 -7.5700 -7.5700 2.4419 2.4419 2.5114 2.5114 2.6291 2.6291 2.7241 2.7241 3.9146 3.9146 3.9445 3.9445 6.8051 6.8051 6.8299 6.8299 6.9285 6.9285 6.9711 6.9711 7.0063 7.0063 7.0223 7.0223 8.4769 8.4769 8.4947 8.4947 8.9487 8.9487 8.9644 8.9644 k = 0.0357 0.5000 0.3415 ( 2820 PWs) bands (ev): -7.5667 -7.5667 -7.5659 -7.5659 2.3936 2.3936 2.4898 2.4898 2.5708 2.5708 2.7003 2.7003 3.9842 3.9842 4.0238 4.0238 6.7919 6.7919 6.8238 6.8238 6.9272 6.9272 6.9848 6.9848 7.0057 7.0057 7.0286 7.0286 8.4679 8.4679 8.4936 8.4936 8.9632 8.9632 8.9856 8.9856 k = 0.0476 0.5000 0.3415 ( 2816 PWs) bands (ev): -7.5613 -7.5613 -7.5603 -7.5603 2.3230 2.3230 2.4030 2.4030 2.5617 2.5617 2.6795 2.6795 4.0723 4.0723 4.1186 4.1186 6.7775 6.7775 6.8132 6.8132 6.9294 6.9294 6.9930 6.9930 7.0114 7.0114 7.0358 7.0358 8.4576 8.4576 8.4901 8.4901 8.9853 8.9853 9.0133 9.0133 k = 0.0595 0.5000 0.3415 ( 2812 PWs) bands (ev): -7.5543 -7.5543 -7.5531 -7.5531 2.2313 2.2313 2.2883 2.2883 2.5701 2.5701 2.6672 2.6672 4.1722 4.1722 4.2230 4.2230 6.7625 6.7625 6.7997 6.7997 6.9334 6.9334 6.9940 6.9940 7.0247 7.0247 7.0440 7.0440 8.4460 8.4460 8.4843 8.4843 9.0149 9.0149 9.0474 9.0474 k = 0.0714 0.5000 0.3415 ( 2812 PWs) bands (ev): -7.5458 -7.5458 -7.5444 -7.5444 2.1234 2.1234 2.1630 2.1630 2.5827 2.5827 2.6635 2.6635 4.2788 4.2788 4.3328 4.3328 6.7470 6.7470 6.7845 6.7845 6.9380 6.9380 6.9932 6.9932 7.0400 7.0400 7.0529 7.0529 8.4332 8.4332 8.4763 8.4763 9.0519 9.0519 9.0878 9.0878 k = 0.0833 0.5000 0.3415 ( 2808 PWs) bands (ev): -7.5359 -7.5359 -7.5342 -7.5342 2.0045 2.0045 2.0317 2.0317 2.5977 2.5977 2.6663 2.6663 4.3889 4.3889 4.4452 4.4452 6.7312 6.7312 6.7683 6.7683 6.9426 6.9426 6.9920 6.9920 7.0555 7.0555 7.0626 7.0626 8.4194 8.4194 8.4663 8.4663 9.0964 9.0964 9.1346 9.1346 k = 0.0952 0.5000 0.3415 ( 2808 PWs) bands (ev): -7.5244 -7.5244 -7.5226 -7.5226 1.8784 1.8784 1.8968 1.8968 2.6146 2.6146 2.6742 2.6742 4.5001 4.5001 4.5582 4.5582 6.7154 6.7154 6.7517 6.7517 6.9469 6.9469 6.9907 6.9907 7.0708 7.0708 7.0728 7.0728 8.4045 8.4045 8.4543 8.4543 9.1481 9.1481 9.1878 9.1878 k = 0.1071 0.5000 0.3415 ( 2812 PWs) bands (ev): -7.5115 -7.5115 -7.5095 -7.5095 1.7477 1.7477 1.7598 1.7598 2.6333 2.6333 2.6859 2.6859 4.6106 4.6106 4.6703 4.6703 6.6997 6.6997 6.7350 6.7350 6.9508 6.9508 6.9895 6.9895 7.0834 7.0834 7.0856 7.0856 8.3884 8.3884 8.4406 8.4406 9.2069 9.2069 9.2474 9.2474 k = 0.1190 0.5000 0.3415 ( 2796 PWs) bands (ev): -7.4973 -7.4973 -7.4950 -7.4950 1.6143 1.6143 1.6217 1.6217 2.6538 2.6538 2.7009 2.7009 4.7194 4.7194 4.7804 4.7804 6.6842 6.6842 6.7184 6.7184 6.9542 6.9542 6.9884 6.9884 7.0943 7.0943 7.1001 7.1001 8.3712 8.3712 8.4253 8.4253 9.2728 9.2728 9.3135 9.3135 k = 0.1310 0.5000 0.3415 ( 2800 PWs) bands (ev): -7.4816 -7.4816 -7.4792 -7.4792 1.4794 1.4794 1.4832 1.4832 2.6759 2.6759 2.7187 2.7187 4.8255 4.8255 4.8878 4.8878 6.6689 6.6689 6.7020 6.7020 6.9571 6.9571 6.9872 6.9872 7.1051 7.1051 7.1138 7.1138 8.3528 8.3528 8.4084 8.4084 9.3454 9.3454 9.3859 9.3859 k = 0.1429 0.5000 0.3415 ( 2804 PWs) bands (ev): -7.4647 -7.4647 -7.4621 -7.4621 1.3440 1.3440 1.3449 1.3449 2.6997 2.6997 2.7389 2.7389 4.9284 4.9284 4.9917 4.9917 6.6539 6.6539 6.6860 6.6860 6.9595 6.9595 6.9859 6.9859 7.1158 7.1158 7.1268 7.1268 8.3331 8.3331 8.3899 8.3899 9.4247 9.4247 9.4647 9.4647 k = 0.1548 0.5000 0.3415 ( 2808 PWs) bands (ev): -7.4466 -7.4466 -7.4437 -7.4437 1.2075 1.2075 1.2087 1.2087 2.7251 2.7251 2.7613 2.7613 5.0274 5.0274 5.0918 5.0918 6.6395 6.6395 6.6704 6.6704 6.9615 6.9615 6.9846 6.9846 7.1264 7.1264 7.1392 7.1392 8.3121 8.3121 8.3699 8.3699 9.5103 9.5103 9.5497 9.5497 k = 0.1667 0.5000 0.3415 ( 2800 PWs) bands (ev): -7.4272 -7.4272 -7.4242 -7.4242 1.0713 1.0713 1.0742 1.0742 2.7520 2.7520 2.7856 2.7856 5.1224 5.1224 5.1878 5.1878 6.6256 6.6256 6.6554 6.6554 6.9631 6.9631 6.9832 6.9832 7.1368 7.1368 7.1509 7.1509 8.2899 8.2899 8.3485 8.3485 9.6021 9.6021 9.6408 9.6408 k = 0.1786 0.5000 0.3415 ( 2804 PWs) bands (ev): -7.4068 -7.4068 -7.4037 -7.4037 0.9366 0.9366 0.9408 0.9408 2.7803 2.7803 2.8118 2.8118 5.2130 5.2130 5.2792 5.2792 6.6123 6.6123 6.6411 6.6411 6.9643 6.9643 6.9816 6.9816 7.1468 7.1468 7.1618 7.1618 8.2661 8.2661 8.3256 8.3256 9.6994 9.6994 9.7376 9.7376 k = 0.1905 0.5000 0.3415 ( 2804 PWs) bands (ev): -7.3853 -7.3853 -7.3821 -7.3821 0.8038 0.8038 0.8091 0.8091 2.8100 2.8100 2.8396 2.8396 5.2991 5.2991 5.3660 5.3660 6.5997 6.5997 6.6274 6.6274 6.9651 6.9651 6.9800 6.9800 7.1566 7.1566 7.1721 7.1721 8.2410 8.2410 8.3012 8.3012 9.8019 9.8019 9.8397 9.8397 k = 0.2024 0.5000 0.3415 ( 2804 PWs) bands (ev): -7.3629 -7.3629 -7.3595 -7.3595 0.6732 0.6732 0.6793 0.6793 2.8410 2.8410 2.8689 2.8689 5.3806 5.3806 5.4482 5.4482 6.5878 6.5878 6.6144 6.6144 6.9655 6.9655 6.9781 6.9781 7.1659 7.1659 7.1816 7.1816 8.2145 8.2145 8.2753 8.2753 9.9089 9.9089 9.9468 9.9468 k = 0.2143 0.5000 0.3415 ( 2800 PWs) bands (ev): -7.3397 -7.3397 -7.3362 -7.3362 0.5451 0.5451 0.5518 0.5518 2.8731 2.8731 2.8996 2.8996 5.4577 5.4577 5.5257 5.5257 6.5767 6.5767 6.6022 6.6022 6.9656 6.9656 6.9760 6.9760 7.1748 7.1748 7.1904 7.1904 8.1866 8.1866 8.2480 8.2480 10.0197 10.0197 10.0582 10.0582 k = 0.2262 0.5000 0.3415 ( 2800 PWs) bands (ev): -7.3157 -7.3157 -7.3121 -7.3121 0.4196 0.4196 0.4269 0.4269 2.9063 2.9063 2.9314 2.9314 5.5302 5.5302 5.5985 5.5985 6.5665 6.5665 6.5909 6.5909 6.9653 6.9653 6.9737 6.9737 7.1832 7.1832 7.1985 7.1985 8.1572 8.1572 8.2193 8.2193 10.1331 10.1331 10.1732 10.1732 k = 0.2381 0.5000 0.3415 ( 2804 PWs) bands (ev): -7.2911 -7.2911 -7.2874 -7.2874 0.2972 0.2972 0.3048 0.3048 2.9403 2.9403 2.9642 2.9642 5.5984 5.5984 5.6669 5.6669 6.5571 6.5571 6.5805 6.5805 6.9646 6.9646 6.9711 6.9711 7.1910 7.1910 7.2058 7.2058 8.1264 8.1264 8.1892 8.1892 10.2478 10.2478 10.2908 10.2908 k = 0.2500 0.5000 0.3415 ( 2808 PWs) bands (ev): -7.2659 -7.2659 -7.2621 -7.2621 0.1779 0.1779 0.1858 0.1858 2.9751 2.9751 2.9979 2.9979 5.6624 5.6624 5.7309 5.7309 6.5487 6.5487 6.5709 6.5709 6.9633 6.9633 6.9681 6.9681 7.1983 7.1983 7.2123 7.2123 8.0945 8.0945 8.1579 8.1579 10.3617 10.3617 10.4095 10.4095 k = 0.2619 0.5000 0.3415 ( 2812 PWs) bands (ev): -7.2403 -7.2403 -7.2365 -7.2365 0.0621 0.0621 0.0702 0.0702 3.0105 3.0105 3.0323 3.0323 5.7223 5.7223 5.7908 5.7908 6.5412 6.5412 6.5623 6.5623 6.9618 6.9618 6.9649 6.9649 7.2050 7.2050 7.2181 7.2181 8.0613 8.0613 8.1254 8.1254 10.4714 10.4714 10.5268 10.5268 k = 0.2738 0.5000 0.3415 ( 2808 PWs) bands (ev): -7.2145 -7.2145 -7.2107 -7.2107 -0.0500 -0.0500 -0.0419 -0.0419 3.0463 3.0463 3.0671 3.0671 5.7785 5.7785 5.8466 5.8466 6.5348 6.5348 6.5547 6.5547 6.9598 6.9598 6.9613 6.9613 7.2110 7.2110 7.2231 7.2231 8.0272 8.0272 8.0919 8.0919 10.5710 10.5710 10.6373 10.6373 k = 0.2857 0.5000 0.3415 ( 2804 PWs) bands (ev): -7.1885 -7.1885 -7.1847 -7.1847 -0.1582 -0.1582 -0.1501 -0.1501 3.0824 3.0824 3.1023 3.1023 5.8312 5.8312 5.8988 5.8988 6.5293 6.5293 6.5481 6.5481 6.9573 6.9573 6.9574 6.9574 7.2162 7.2162 7.2271 7.2271 7.9924 7.9924 8.0575 8.0575 10.6509 10.6509 10.7281 10.7281 k = 0.2976 0.5000 0.3415 ( 2812 PWs) bands (ev): -7.1626 -7.1626 -7.1588 -7.1588 -0.2624 -0.2624 -0.2543 -0.2543 3.1185 3.1185 3.1375 3.1375 5.8804 5.8804 5.9474 5.9474 6.5249 6.5249 6.5424 6.5424 6.9529 6.9529 6.9543 6.9543 7.2205 7.2205 7.2303 7.2303 7.9569 7.9569 8.0224 8.0224 10.7002 10.7002 10.7757 10.7757 k = 0.3095 0.5000 0.3415 ( 2804 PWs) bands (ev): -7.1368 -7.1368 -7.1330 -7.1330 -0.3621 -0.3621 -0.3543 -0.3543 3.1544 3.1544 3.1725 3.1725 5.9267 5.9267 5.9929 5.9929 6.5216 6.5216 6.5378 6.5378 6.9480 6.9480 6.9508 6.9508 7.2238 7.2238 7.2324 7.2324 7.9213 7.9213 7.9869 7.9869 10.7166 10.7166 10.7764 10.7764 k = 0.3214 0.5000 0.3415 ( 2800 PWs) bands (ev): -7.1113 -7.1113 -7.1076 -7.1076 -0.4574 -0.4574 -0.4497 -0.4497 3.1900 3.1900 3.2073 3.2073 5.9702 5.9702 6.0353 6.0353 6.5192 6.5192 6.5341 6.5341 6.9425 6.9425 6.9467 6.9467 7.2259 7.2259 7.2335 7.2335 7.8858 7.8858 7.9514 7.9514 10.7092 10.7092 10.7529 10.7529 k = 0.3333 0.5000 0.3415 ( 2808 PWs) bands (ev): -7.0863 -7.0863 -7.0827 -7.0827 -0.5478 -0.5478 -0.5403 -0.5403 3.2250 3.2250 3.2414 3.2414 6.0110 6.0110 6.0748 6.0748 6.5178 6.5178 6.5314 6.5314 6.9364 6.9364 6.9418 6.9418 7.2268 7.2268 7.2334 7.2334 7.8509 7.8509 7.9160 7.9160 10.6886 10.6886 10.7205 10.7205 k = 0.3452 0.5000 0.3415 ( 2808 PWs) bands (ev): -7.0620 -7.0620 -7.0585 -7.0585 -0.6332 -0.6332 -0.6260 -0.6260 3.2592 3.2592 3.2746 3.2746 6.0496 6.0496 6.1119 6.1119 6.5174 6.5174 6.5296 6.5296 6.9297 6.9297 6.9361 6.9361 7.2262 7.2262 7.2322 7.2322 7.8171 7.8171 7.8813 7.8813 10.6614 10.6614 10.6853 10.6853 k = 0.3571 0.5000 0.3415 ( 2816 PWs) bands (ev): -7.0385 -7.0385 -7.0351 -7.0351 -0.7133 -0.7133 -0.7065 -0.7065 3.2923 3.2923 3.3068 3.3068 6.0860 6.0860 6.1466 6.1466 6.5178 6.5178 6.5286 6.5286 6.9220 6.9220 6.9294 6.9294 7.2242 7.2242 7.2296 7.2296 7.7850 7.7850 7.8477 7.8477 10.6316 10.6316 10.6497 10.6497 k = 0.3690 0.5000 0.3415 ( 2804 PWs) bands (ev): -7.0160 -7.0160 -7.0128 -7.0128 -0.7881 -0.7881 -0.7816 -0.7816 3.3240 3.3240 3.3376 3.3376 6.1207 6.1207 6.1793 6.1793 6.5191 6.5191 6.5286 6.5286 6.9137 6.9137 6.9217 6.9217 7.2207 7.2207 7.2260 7.2260 7.7549 7.7549 7.8156 7.8156 10.6014 10.6014 10.6153 10.6153 k = 0.3810 0.5000 0.3415 ( 2796 PWs) bands (ev): -6.9947 -6.9947 -6.9917 -6.9917 -0.8571 -0.8571 -0.8511 -0.8511 3.3542 3.3542 3.3667 3.3667 6.1536 6.1536 6.2098 6.2098 6.5213 6.5213 6.5295 6.5295 6.9043 6.9043 6.9128 6.9128 7.2158 7.2158 7.2211 7.2211 7.7276 7.7276 7.7853 7.7853 10.5719 10.5719 10.5827 10.5827 k = 0.3929 0.5000 0.3415 ( 2800 PWs) bands (ev): -6.9748 -6.9748 -6.9720 -6.9720 -0.9203 -0.9203 -0.9148 -0.9148 3.3825 3.3825 3.3940 3.3940 6.1847 6.1847 6.2381 6.2381 6.5243 6.5243 6.5311 6.5311 6.8939 6.8939 6.9025 6.9025 7.2095 7.2095 7.2151 7.2151 7.7031 7.7031 7.7573 7.7573 10.5439 10.5439 10.5525 10.5525 k = 0.4048 0.5000 0.3415 ( 2796 PWs) bands (ev): -6.9564 -6.9564 -6.9539 -6.9539 -0.9773 -0.9773 -0.9724 -0.9724 3.4088 3.4088 3.4192 3.4192 6.2143 6.2143 6.2643 6.2643 6.5280 6.5280 6.5337 6.5337 6.8825 6.8825 6.8908 6.8908 7.2023 7.2023 7.2083 7.2083 7.6820 7.6820 7.7317 7.7317 10.5181 10.5181 10.5249 10.5249 k = 0.4167 0.5000 0.3415 ( 2792 PWs) bands (ev): -6.9397 -6.9397 -6.9374 -6.9374 -1.0282 -1.0282 -1.0237 -1.0237 3.4327 3.4327 3.4419 3.4419 6.2421 6.2421 6.2883 6.2883 6.5324 6.5324 6.5371 6.5371 6.8701 6.8701 6.8778 6.8778 7.1945 7.1945 7.2008 7.2008 7.6642 7.6642 7.7089 7.7089 10.4949 10.4949 10.5002 10.5002 k = 0.4286 0.5000 0.3415 ( 2792 PWs) bands (ev): -6.9249 -6.9249 -6.9229 -6.9229 -1.0725 -1.0725 -1.0687 -1.0687 3.4540 3.4540 3.4621 3.4621 6.2680 6.2680 6.3096 6.3096 6.5374 6.5374 6.5413 6.5413 6.8569 6.8569 6.8635 6.8635 7.1867 7.1867 7.1932 7.1932 7.6499 7.6499 7.6890 7.6890 10.4744 10.4744 10.4785 10.4785 k = 0.4405 0.5000 0.3415 ( 2792 PWs) bands (ev): -6.9120 -6.9120 -6.9103 -6.9103 -1.1103 -1.1103 -1.1071 -1.1071 3.4726 3.4726 3.4794 3.4794 6.2917 6.2917 6.3280 6.3280 6.5431 6.5431 6.5463 6.5463 6.8432 6.8432 6.8486 6.8486 7.1794 7.1794 7.1857 7.1857 7.6388 7.6388 7.6718 7.6718 10.4568 10.4568 10.4600 10.4600 k = 0.4524 0.5000 0.3415 ( 2796 PWs) bands (ev): -6.9013 -6.9013 -6.8999 -6.8999 -1.1414 -1.1414 -1.1388 -1.1388 3.4882 3.4882 3.4937 3.4937 6.3127 6.3127 6.3429 6.3429 6.5491 6.5491 6.5519 6.5519 6.8297 6.8297 6.8337 6.8337 7.1731 7.1731 7.1788 7.1788 7.6307 7.6307 7.6573 7.6573 10.4424 10.4424 10.4448 10.4448 k = 0.4643 0.5000 0.3415 ( 2800 PWs) bands (ev): -6.8928 -6.8928 -6.8917 -6.8917 -1.1656 -1.1656 -1.1636 -1.1636 3.5007 3.5007 3.5048 3.5048 6.3306 6.3306 6.3540 6.3540 6.5552 6.5552 6.5575 6.5575 6.8173 6.8173 6.8199 6.8199 7.1680 7.1680 7.1727 7.1727 7.6255 7.6255 7.6456 7.6456 10.4311 10.4311 10.4328 10.4328 k = 0.4762 0.5000 0.3415 ( 2800 PWs) bands (ev): -6.8866 -6.8866 -6.8859 -6.8859 -1.1829 -1.1829 -1.1815 -1.1815 3.5099 3.5099 3.5127 3.5127 6.3450 6.3450 6.3609 6.3609 6.5607 6.5607 6.5624 6.5624 6.8071 6.8071 6.8085 6.8085 7.1646 7.1646 7.1679 7.1679 7.6229 7.6229 7.6364 7.6364 10.4231 10.4231 10.4242 10.4242 k = 0.4881 0.5000 0.3415 ( 2796 PWs) bands (ev): -6.8828 -6.8828 -6.8824 -6.8824 -1.1931 -1.1931 -1.1924 -1.1924 3.5157 3.5157 3.5171 3.5171 6.3555 6.3555 6.3636 6.3636 6.5648 6.5648 6.5657 6.5657 6.8003 6.8003 6.8009 6.8009 7.1629 7.1629 7.1646 7.1646 7.6228 7.6228 7.6295 7.6295 10.4184 10.4184 10.4189 10.4189 k = 0.5000 0.5000 0.3415 ( 2792 PWs) bands (ev): -6.8814 -6.8814 -6.8814 -6.8814 -1.1963 -1.1963 -1.1963 -1.1963 3.5182 3.5182 3.5182 3.5182 6.3618 6.3618 6.3618 6.3618 6.5666 6.5666 6.5666 6.5666 6.7980 6.7980 6.7980 6.7980 7.1629 7.1629 7.1629 7.1629 7.6250 7.6250 7.6250 7.6250 10.4170 10.4170 10.4170 10.4170 k = 0.5000 0.5000 0.3415 ( 2792 PWs) bands (ev): -6.8814 -6.8814 -6.8814 -6.8814 -1.1963 -1.1963 -1.1963 -1.1963 3.5182 3.5182 3.5182 3.5182 6.3618 6.3618 6.3618 6.3618 6.5666 6.5666 6.5666 6.5666 6.7980 6.7980 6.7980 6.7980 7.1629 7.1629 7.1629 7.1629 7.6250 7.6250 7.6250 7.6250 10.4170 10.4170 10.4170 10.4170 k = 0.4915 0.4915 0.3415 ( 2796 PWs) bands (ev): -6.8851 -6.8851 -6.8801 -6.8801 -1.1953 -1.1953 -1.1901 -1.1901 3.5144 3.5144 3.5185 3.5185 6.3555 6.3555 6.3636 6.3636 6.5635 6.5635 6.5670 6.5670 6.7995 6.7995 6.8017 6.8017 7.1614 7.1614 7.1662 7.1662 7.6228 7.6228 7.6296 7.6296 10.4175 10.4175 10.4199 10.4199 k = 0.4831 0.4831 0.3415 ( 2804 PWs) bands (ev): -6.8962 -6.8962 -6.8764 -6.8764 -1.1923 -1.1923 -1.1717 -1.1717 3.5034 3.5034 3.5189 3.5189 6.3448 6.3448 6.3608 6.3608 6.5548 6.5548 6.5680 6.5680 6.8038 6.8038 6.8123 6.8123 7.1573 7.1573 7.1753 7.1753 7.6229 7.6229 7.6363 7.6363 10.4190 10.4190 10.4284 10.4284 k = 0.4746 0.4746 0.3415 ( 2808 PWs) bands (ev): -6.9145 -6.9145 -6.8702 -6.8702 -1.1873 -1.1873 -1.1413 -1.1413 3.4854 3.4854 3.5197 3.5197 6.3301 6.3301 6.3537 6.3537 6.5419 6.5419 6.5701 6.5701 6.8098 6.8098 6.8293 6.8293 7.1506 7.1506 7.1900 7.1900 7.6253 7.6253 7.6452 7.6452 10.4216 10.4216 10.4426 10.4426 k = 0.4661 0.4661 0.3415 ( 2812 PWs) bands (ev): -6.9397 -6.9397 -6.8614 -6.8614 -1.1803 -1.1803 -1.0990 -1.0990 3.4603 3.4603 3.5209 3.5209 6.3115 6.3115 6.3429 6.3429 6.5263 6.5263 6.5733 6.5733 6.8165 6.8165 6.8520 6.8520 7.1417 7.1417 7.2096 7.2096 7.6298 7.6298 7.6561 7.6561 10.4252 10.4252 10.4622 10.4622 k = 0.4576 0.4576 0.3415 ( 2800 PWs) bands (ev): -6.9716 -6.9716 -6.8502 -6.8502 -1.1713 -1.1713 -1.0452 -1.0452 3.4287 3.4287 3.5223 3.5223 6.2888 6.2888 6.3290 6.3290 6.5095 6.5095 6.5778 6.5778 6.8234 6.8234 6.8796 6.8796 7.1308 7.1308 7.2333 7.2333 7.6363 7.6363 7.6687 7.6687 10.4300 10.4300 10.4870 10.4870 k = 0.4492 0.4492 0.3415 ( 2800 PWs) bands (ev): -7.0097 -7.0097 -6.8365 -6.8365 -1.1603 -1.1603 -0.9804 -0.9804 3.3907 3.3907 3.5241 3.5241 6.2614 6.2614 6.3130 6.3130 6.4926 6.4926 6.5837 6.5837 6.8297 6.8297 6.9113 6.9113 7.1180 7.1180 7.2598 7.2598 7.6446 7.6446 7.6829 7.6829 10.4358 10.4358 10.5166 10.5166 k = 0.4407 0.4407 0.3415 ( 2798 PWs) bands (ev): -7.0535 -7.0535 -6.8204 -6.8204 -1.1473 -1.1473 -0.9050 -0.9050 3.3468 3.3468 3.5261 3.5261 6.2290 6.2290 6.2957 6.2957 6.4764 6.4764 6.5910 6.5910 6.8352 6.8352 6.9466 6.9466 7.1037 7.1037 7.2884 7.2884 7.6545 7.6545 7.6985 7.6985 10.4427 10.4427 10.5506 10.5506 k = 0.4322 0.4322 0.3415 ( 2800 PWs) bands (ev): -7.1026 -7.1026 -6.8017 -6.8017 -1.1324 -1.1324 -0.8196 -0.8196 3.2975 3.2975 3.5285 3.5285 6.1912 6.1912 6.2781 6.2781 6.4616 6.4616 6.5994 6.5994 6.8401 6.8401 6.9849 6.9849 7.0882 7.0882 7.3180 7.3180 7.6657 7.6657 7.7152 7.7152 10.4507 10.4507 10.5883 10.5883 k = 0.4237 0.4237 0.3415 ( 2792 PWs) bands (ev): -7.1564 -7.1564 -6.7806 -6.7806 -1.1155 -1.1155 -0.7247 -0.7247 3.2432 3.2432 3.5311 3.5311 6.1478 6.1478 6.2604 6.2604 6.4486 6.4486 6.6092 6.6092 6.8444 6.8444 7.0260 7.0260 7.0720 7.0720 7.3479 7.3479 7.6782 7.6782 7.7330 7.7330 10.4600 10.4600 10.6293 10.6293 k = 0.4153 0.4153 0.3415 ( 2794 PWs) bands (ev): -7.2145 -7.2145 -6.7571 -6.7571 -1.0968 -1.0968 -0.6209 -0.6209 3.1844 3.1844 3.5341 3.5341 6.0988 6.0988 6.2431 6.2431 6.4376 6.4376 6.6200 6.6200 6.8481 6.8481 7.0531 7.0531 7.0714 7.0714 7.3771 7.3771 7.6916 7.6916 7.7517 7.7517 10.4705 10.4705 10.6725 10.6725 k = 0.4068 0.4068 0.3415 ( 2790 PWs) bands (ev): -7.2763 -7.2763 -6.7311 -6.7311 -1.0761 -1.0761 -0.5088 -0.5088 3.1216 3.1216 3.5373 3.5373 6.0443 6.0443 6.2263 6.2263 6.4288 6.4288 6.6318 6.6318 6.8512 6.8512 7.0363 7.0363 7.1165 7.1165 7.4054 7.4054 7.7057 7.7057 7.7713 7.7713 10.4822 10.4822 10.7170 10.7170 k = 0.3983 0.3983 0.3415 ( 2790 PWs) bands (ev): -7.3412 -7.3412 -6.7026 -6.7026 -1.0536 -1.0536 -0.3888 -0.3888 3.0553 3.0553 3.5408 3.5408 5.9841 5.9841 6.2101 6.2101 6.4222 6.4222 6.6444 6.6444 6.8537 6.8537 7.0183 7.0183 7.1646 7.1646 7.4322 7.4322 7.7205 7.7205 7.7917 7.7917 10.4953 10.4953 10.7619 10.7619 k = 0.3898 0.3898 0.3415 ( 2788 PWs) bands (ev): -7.4089 -7.4089 -6.6718 -6.6718 -1.0293 -1.0293 -0.2615 -0.2615 2.9859 2.9859 3.5446 3.5446 5.9185 5.9185 6.1946 6.1946 6.4178 6.4178 6.6577 6.6577 6.8555 6.8555 7.0003 7.0003 7.2149 7.2149 7.4571 7.4571 7.7357 7.7357 7.8129 7.8129 10.5097 10.5097 10.8057 10.8057 k = 0.3814 0.3814 0.3415 ( 2792 PWs) bands (ev): -7.4789 -7.4789 -6.6385 -6.6385 -1.0032 -1.0032 -0.1275 -0.1275 2.9139 2.9139 3.5486 3.5486 5.8471 5.8471 6.1798 6.1798 6.4155 6.4155 6.6716 6.6716 6.8565 6.8565 6.9825 6.9825 7.2670 7.2670 7.4800 7.4800 7.7513 7.7513 7.8348 7.8348 10.5255 10.5255 10.8473 10.8473 k = 0.3729 0.3729 0.3415 ( 2792 PWs) bands (ev): -7.5508 -7.5508 -6.6029 -6.6029 -0.9753 -0.9753 0.0127 0.0127 2.8398 2.8398 3.5529 3.5529 5.7702 5.7702 6.1658 6.1658 6.4154 6.4154 6.6859 6.6859 6.8565 6.8565 6.9653 6.9653 7.3207 7.3207 7.5009 7.5009 7.7670 7.7670 7.8576 7.8576 10.5429 10.5429 10.7823 10.7823 k = 0.3644 0.3644 0.3415 ( 2792 PWs) bands (ev): -7.6241 -7.6241 -6.5649 -6.5649 -0.9457 -0.9457 0.1588 0.1588 2.7639 2.7639 3.5574 3.5574 5.6876 5.6876 6.1524 6.1524 6.4175 6.4175 6.7005 6.7005 6.8551 6.8551 6.9492 6.9492 7.3758 7.3758 7.5199 7.5199 7.7827 7.7827 7.8812 7.8812 10.5617 10.5617 10.6340 10.6340 k = 0.3559 0.3559 0.3415 ( 2792 PWs) bands (ev): -7.6985 -7.6985 -6.5246 -6.5246 -0.9145 -0.9145 0.3101 0.3101 2.6867 2.6867 3.5621 3.5621 5.5992 5.5992 6.1398 6.1398 6.4216 6.4216 6.7152 6.7152 6.8517 6.8517 6.9349 6.9349 7.4313 7.4313 7.5378 7.5378 7.7984 7.7984 7.9058 7.9058 10.4888 10.4888 10.5822 10.5822 k = 0.3475 0.3475 0.3415 ( 2784 PWs) bands (ev): -7.7736 -7.7736 -6.4819 -6.4819 -0.8816 -0.8816 0.4663 0.4663 2.6085 2.6085 3.5671 3.5671 5.5052 5.5052 6.1279 6.1279 6.4279 6.4279 6.7298 6.7298 6.8458 6.8458 6.9231 6.9231 7.4846 7.4846 7.5573 7.5573 7.8139 7.8139 7.9316 7.9316 10.3474 10.3474 10.6044 10.6044 k = 0.3390 0.3390 0.3415 ( 2788 PWs) bands (ev): -7.8493 -7.8493 -6.4369 -6.4369 -0.8471 -0.8471 0.6270 0.6270 2.5297 2.5297 3.5722 3.5722 5.4054 5.4054 6.1166 6.1166 6.4360 6.4360 6.7440 6.7440 6.8370 6.8370 6.9140 6.9140 7.5259 7.5259 7.5881 7.5881 7.8292 7.8292 7.9583 7.9583 10.2106 10.2106 10.6284 10.6284 k = 0.3305 0.3305 0.3415 ( 2792 PWs) bands (ev): -7.9251 -7.9251 -6.3897 -6.3897 -0.8112 -0.8112 0.7916 0.7916 2.4507 2.4507 3.5775 3.5775 5.2999 5.2999 6.1061 6.1061 6.4459 6.4459 6.7573 6.7573 6.8259 6.8259 6.9077 6.9077 7.5471 7.5471 7.6382 7.6382 7.8442 7.8442 7.9864 7.9864 10.0789 10.0789 10.6541 10.6541 k = 0.3220 0.3220 0.3415 ( 2792 PWs) bands (ev): -8.0008 -8.0008 -6.3402 -6.3402 -0.7737 -0.7737 0.9597 0.9597 2.3717 2.3717 3.5829 3.5829 5.1890 5.1890 6.0961 6.0961 6.4577 6.4577 6.7689 6.7689 6.8141 6.8141 6.9034 6.9034 7.5576 7.5576 7.6985 7.6985 7.8589 7.8589 8.0158 8.0158 9.9528 9.9528 10.6818 10.6818 k = 0.3136 0.3136 0.3415 ( 2792 PWs) bands (ev): -8.0762 -8.0762 -6.2886 -6.2886 -0.7349 -0.7349 1.1309 1.1309 2.2932 2.2932 3.5884 3.5884 5.0726 5.0726 6.0868 6.0868 6.4713 6.4713 6.7749 6.7749 6.8060 6.8060 6.9005 6.9005 7.5633 7.5633 7.7624 7.7624 7.8736 7.8736 8.0468 8.0468 9.8326 9.8326 10.7115 10.7115 k = 0.3051 0.3051 0.3415 ( 2790 PWs) bands (ev): -8.1511 -8.1511 -6.2347 -6.2347 -0.6947 -0.6947 1.3045 1.3045 2.2157 2.2157 3.5941 3.5941 4.9510 4.9510 6.0780 6.0780 6.4866 6.4866 6.7688 6.7688 6.8082 6.8082 6.8982 6.8982 7.5663 7.5663 7.8270 7.8270 7.8896 7.8896 8.0795 8.0795 9.7186 9.7186 10.7432 10.7432 k = 0.2966 0.2966 0.3415 ( 2794 PWs) bands (ev): -8.2253 -8.2253 -6.1787 -6.1787 -0.6533 -0.6533 1.4793 1.4793 2.1401 2.1401 3.5997 3.5997 4.8245 4.8245 6.0698 6.0698 6.5035 6.5035 6.7555 6.7555 6.8163 6.8163 6.8963 6.8963 7.5672 7.5672 7.8800 7.8800 7.9183 7.9183 8.1141 8.1141 9.6110 9.6110 10.7771 10.7771 k = 0.2881 0.2881 0.3415 ( 2790 PWs) bands (ev): -8.2986 -8.2986 -6.1207 -6.1207 -0.6107 -0.6107 1.6526 1.6526 2.0690 2.0690 3.6054 3.6054 4.6935 4.6935 6.0621 6.0621 6.5220 6.5220 6.7403 6.7403 6.8249 6.8249 6.8949 6.8949 7.5664 7.5664 7.9022 7.9022 7.9787 7.9787 8.1510 8.1510 9.5099 9.5099 10.8132 10.8132 k = 0.2797 0.2797 0.3415 ( 2794 PWs) bands (ev): -8.3709 -8.3709 -6.0606 -6.0606 -0.5670 -0.5670 1.8096 1.8096 2.0170 2.0170 3.6109 3.6109 4.5583 4.5583 6.0548 6.0548 6.5417 6.5417 6.7248 6.7248 6.8323 6.8323 6.8938 6.8938 7.5643 7.5643 7.9152 7.9152 8.0484 8.0484 8.1906 8.1906 9.4151 9.4151 10.8515 10.8515 k = 0.2712 0.2712 0.3415 ( 2790 PWs) bands (ev): -8.4420 -8.4420 -5.9985 -5.9985 -0.5223 -0.5223 1.8590 1.8590 2.0753 2.0753 3.6161 3.6161 4.4195 4.4195 6.0481 6.0481 6.5624 6.5624 6.7096 6.7096 6.8378 6.8378 6.8935 6.8935 7.5611 7.5611 7.9260 7.9260 8.1197 8.1197 8.2338 8.2338 9.3267 9.3267 10.8506 10.8506 k = 0.2627 0.2627 0.3415 ( 2790 PWs) bands (ev): -8.5118 -8.5118 -5.9345 -5.9345 -0.4767 -0.4767 1.8073 1.8073 2.2372 2.2372 3.6208 3.6208 4.2777 4.2777 6.0418 6.0418 6.5839 6.5839 6.6952 6.6952 6.8406 6.8406 6.8940 6.8940 7.5572 7.5572 7.9355 7.9355 8.1903 8.1903 8.2821 8.2821 9.2446 9.2446 10.8119 10.8119 k = 0.2542 0.2542 0.3415 ( 2790 PWs) bands (ev): -8.5801 -8.5801 -5.8687 -5.8687 -0.4303 -0.4303 1.7406 1.7406 2.4160 2.4160 3.6242 3.6242 4.1340 4.1340 6.0359 6.0359 6.6049 6.6049 6.6828 6.6828 6.8406 6.8406 6.8954 6.8954 7.5528 7.5528 7.9439 7.9439 8.2573 8.2573 8.3379 8.3379 9.1685 9.1685 10.7703 10.7703 k = 0.2458 0.2458 0.3415 ( 2788 PWs) bands (ev): -8.6470 -8.6470 -5.8010 -5.8010 -0.3832 -0.3832 1.6720 1.6720 2.5986 2.5986 3.6248 3.6248 3.9904 3.9904 6.0303 6.0303 6.6217 6.6217 6.6761 6.6761 6.8380 6.8380 6.8976 6.8976 7.5484 7.5484 7.9513 7.9513 8.3191 8.3191 8.4033 8.4033 9.0984 9.0984 10.7264 10.7264 k = 0.2373 0.2373 0.3415 ( 2788 PWs) bands (ev): -8.7122 -8.7122 -5.7317 -5.7317 -0.3354 -0.3354 1.6038 1.6038 2.7823 2.7823 3.6168 3.6168 3.8532 3.8532 6.0249 6.0249 6.6261 6.6261 6.6829 6.6829 6.8330 6.8330 6.9000 6.9000 7.5441 7.5441 7.9576 7.9576 8.3767 8.3767 8.4770 8.4770 9.0340 9.0340 10.6805 10.6805 k = 0.2288 0.2288 0.3415 ( 2788 PWs) bands (ev): -8.7756 -8.7756 -5.6608 -5.6608 -0.2872 -0.2872 1.5367 1.5367 2.9660 2.9660 3.5770 3.5770 3.7460 3.7460 6.0200 6.0200 6.6191 6.6191 6.7021 6.7021 6.8265 6.8265 6.9022 6.9022 7.5404 7.5404 7.9630 7.9630 8.4331 8.4331 8.5561 8.5561 8.9752 8.9752 10.6329 10.6329 k = 0.2203 0.2203 0.3415 ( 2788 PWs) bands (ev): -8.8373 -8.8373 -5.5884 -5.5884 -0.2386 -0.2386 1.4712 1.4712 3.1489 3.1489 3.4718 3.4718 3.7029 3.7029 6.0153 6.0153 6.6080 6.6080 6.7253 6.7253 6.8194 6.8194 6.9038 6.9038 7.5377 7.5377 7.9673 7.9673 8.4904 8.4904 8.6386 8.6386 8.9219 8.9219 10.5840 10.5840 k = 0.2119 0.2119 0.3415 ( 2788 PWs) bands (ev): -8.8971 -8.8971 -5.5145 -5.5145 -0.1899 -0.1899 1.4074 1.4074 3.3297 3.3297 3.3321 3.3321 3.6940 3.6940 6.0109 6.0109 6.5959 6.5959 6.7471 6.7471 6.8140 6.8140 6.9047 6.9047 7.5362 7.5362 7.9706 7.9706 8.5497 8.5497 8.7225 8.7225 8.8748 8.8748 10.5339 10.5339 k = 0.2034 0.2034 0.3415 ( 2788 PWs) bands (ev): -8.9550 -8.9550 -5.4394 -5.4394 -0.1410 -0.1410 1.3455 1.3455 3.1816 3.1816 3.5097 3.5097 3.6944 3.6944 6.0068 6.0068 6.5838 6.5838 6.7600 6.7600 6.8171 6.8171 6.9047 6.9047 7.5364 7.5364 7.9729 7.9729 8.6117 8.6117 8.7950 8.7950 8.8459 8.8459 10.4827 10.4827 k = 0.1949 0.1949 0.3415 ( 2784 PWs) bands (ev): -9.0109 -9.0109 -5.3632 -5.3632 -0.0921 -0.0921 1.2856 1.2856 3.0287 3.0287 3.6835 3.6835 3.7008 3.7008 6.0029 6.0029 6.5718 6.5718 6.7578 6.7578 6.8341 6.8341 6.9038 6.9038 7.5387 7.5387 7.9743 7.9743 8.6769 8.6769 8.7811 8.7811 8.9094 8.9094 10.4304 10.4304 k = 0.1864 0.1864 0.3415 ( 2784 PWs) bands (ev): -9.0647 -9.0647 -5.2860 -5.2860 -0.0435 -0.0435 1.2278 1.2278 2.8750 2.8750 3.7018 3.7018 3.8607 3.8607 5.9992 5.9992 6.5602 6.5602 6.7465 6.7465 6.8588 6.8588 6.9021 6.9021 7.5436 7.5436 7.9747 7.9747 8.7455 8.7455 8.7477 8.7477 8.9983 8.9983 10.3770 10.3770 k = 0.1780 0.1780 0.3415 ( 2788 PWs) bands (ev): -9.1164 -9.1164 -5.2080 -5.2080 0.0047 0.0047 1.1721 1.1721 2.7216 2.7216 3.7071 3.7071 4.0303 4.0303 5.9957 5.9957 6.5491 6.5491 6.7312 6.7312 6.8852 6.8852 6.8998 6.8998 7.5515 7.5515 7.9743 7.9743 8.7162 8.7162 8.8180 8.8180 9.0903 9.0903 10.3225 10.3225 k = 0.1695 0.1695 0.3415 ( 2790 PWs) bands (ev): -9.1659 -9.1659 -5.1293 -5.1293 0.0524 0.0524 1.1187 1.1187 2.5693 2.5693 3.7126 3.7126 4.1956 4.1956 5.9924 5.9924 6.5384 6.5384 6.7137 6.7137 6.8949 6.8949 6.9136 6.9136 7.5628 7.5628 7.9730 7.9730 8.6879 8.6879 8.8945 8.8945 9.1841 9.1841 10.2668 10.2668 k = 0.1610 0.1610 0.3415 ( 2790 PWs) bands (ev): -9.2133 -9.2133 -5.0503 -5.0503 0.0994 0.0994 1.0677 1.0677 2.4187 2.4187 3.7183 3.7183 4.3558 4.3558 5.9893 5.9893 6.5283 6.5283 6.6948 6.6948 6.8907 6.8907 6.9396 6.9396 7.5781 7.5781 7.9711 7.9711 8.6627 8.6627 8.9751 8.9751 9.2791 9.2791 10.2097 10.2097 k = 0.1525 0.1525 0.3415 ( 2790 PWs) bands (ev): -9.2584 -9.2584 -4.9712 -4.9712 0.1454 0.1454 1.0189 1.0189 2.2704 2.2704 3.7239 3.7239 4.5105 4.5105 5.9864 5.9864 6.5186 6.5186 6.6748 6.6748 6.8854 6.8854 6.9645 6.9645 7.5977 7.5977 7.9685 7.9685 8.6404 8.6404 9.0598 9.0598 9.3753 9.3753 10.1511 10.1511 k = 0.1441 0.1441 0.3415 ( 2794 PWs) bands (ev): -9.3013 -9.3013 -4.8921 -4.8921 0.1904 0.1904 0.9726 0.9726 2.1249 2.1249 3.7294 3.7294 4.6589 4.6589 5.9836 5.9836 6.5095 6.5095 6.6540 6.6540 6.8792 6.8792 6.9876 6.9876 7.6219 7.6219 7.9653 7.9653 8.6208 8.6208 9.1487 9.1487 9.4722 9.4722 10.0908 10.0908 k = 0.1356 0.1356 0.3415 ( 2798 PWs) bands (ev): -9.3419 -9.3419 -4.8135 -4.8135 0.2341 0.2341 0.9288 0.9288 1.9827 1.9827 3.7349 3.7349 4.8006 4.8006 5.9811 5.9811 6.5009 6.5009 6.6326 6.6326 6.8723 6.8723 7.0087 7.0087 7.6511 7.6511 7.9617 7.9617 8.6036 8.6036 9.2416 9.2416 9.5698 9.5698 10.0289 10.0289 k = 0.1271 0.1271 0.3415 ( 2798 PWs) bands (ev): -9.3801 -9.3801 -4.7356 -4.7356 0.2763 0.2763 0.8874 0.8874 1.8446 1.8446 3.7401 3.7401 4.9351 4.9351 5.9789 5.9789 6.4929 6.4929 6.6110 6.6110 6.8647 6.8647 7.0275 7.0275 7.6851 7.6851 7.9578 7.9578 8.5886 8.5886 9.3380 9.3380 9.6674 9.6674 9.9656 9.9656 k = 0.1186 0.1186 0.3415 ( 2794 PWs) bands (ev): -9.4160 -9.4160 -4.6589 -4.6589 0.3167 0.3167 0.8485 0.8485 1.7109 1.7109 3.7452 3.7452 5.0620 5.0620 5.9769 5.9769 6.4854 6.4854 6.5894 6.5894 6.8565 6.8565 7.0441 7.0441 7.7242 7.7242 7.9537 7.9537 8.5756 8.5756 9.4369 9.4369 9.7638 9.7638 9.9024 9.9024 k = 0.1102 0.1102 0.3415 ( 2794 PWs) bands (ev): -9.4495 -9.4495 -4.5836 -4.5836 0.3552 0.3552 0.8122 0.8122 1.5823 1.5823 3.7501 3.7501 5.1808 5.1808 5.9751 5.9751 6.4784 6.4784 6.5681 6.5681 6.8478 6.8478 7.0584 7.0584 7.7680 7.7680 7.9495 7.9495 8.5643 8.5643 9.5359 9.5359 9.8215 9.8215 9.8779 9.8779 k = 0.1017 0.1017 0.3415 ( 2790 PWs) bands (ev): -9.4806 -9.4806 -4.5104 -4.5104 0.3915 0.3915 0.7785 0.7785 1.4596 1.4596 3.7547 3.7547 5.2912 5.2912 5.9737 5.9737 6.4719 6.4719 6.5472 6.5472 6.8386 6.8386 7.0706 7.0706 7.8165 7.8165 7.9453 7.9453 8.5546 8.5546 9.6246 9.6246 9.7753 9.7753 9.9666 9.9666 k = 0.0932 0.0932 0.3415 ( 2790 PWs) bands (ev): -9.5092 -9.5092 -4.4398 -4.4398 0.4252 0.4252 0.7474 0.7474 1.3433 1.3433 3.7590 3.7590 5.3930 5.3930 5.9728 5.9728 6.4658 6.4658 6.5272 6.5272 6.8290 6.8290 7.0810 7.0810 7.8690 7.8690 7.9412 7.9412 8.5463 8.5463 9.6412 9.6412 9.7916 9.7916 10.0623 10.0623 k = 0.0847 0.0847 0.3415 ( 2790 PWs) bands (ev): -9.5355 -9.5355 -4.3721 -4.3721 0.4562 0.4562 0.7189 0.7189 1.2343 1.2343 3.7630 3.7630 5.4859 5.4859 5.9723 5.9723 6.4600 6.4600 6.5082 6.5082 6.8191 6.8191 7.0896 7.0896 7.9244 7.9244 7.9383 7.9383 8.5392 8.5392 9.5821 9.5821 9.8800 9.8800 10.1573 10.1573 k = 0.0763 0.0763 0.3415 ( 2782 PWs) bands (ev): -9.5593 -9.5593 -4.3081 -4.3081 0.4840 0.4840 0.6931 0.6931 1.1336 1.1336 3.7668 3.7668 5.5698 5.5698 5.9725 5.9725 6.4545 6.4545 6.4908 6.4908 6.8092 6.8092 7.0970 7.0970 7.9327 7.9327 7.9864 7.9864 8.5331 8.5331 9.5081 9.5081 9.9786 9.9786 10.2505 10.2505 k = 0.0678 0.0678 0.3415 ( 2780 PWs) bands (ev): -9.5806 -9.5806 -4.2483 -4.2483 0.5080 0.5080 0.6700 0.6700 1.0419 1.0419 3.7701 3.7701 5.6442 5.6442 5.9736 5.9736 6.4488 6.4488 6.4753 6.4753 6.7992 6.7992 7.1029 7.1029 7.9293 7.9293 8.0494 8.0494 8.5280 8.5280 9.4297 9.4297 10.0751 10.0751 10.3409 10.3409 k = 0.0593 0.0593 0.3415 ( 2782 PWs) bands (ev): -9.5994 -9.5994 -4.1935 -4.1935 0.5279 0.5279 0.6495 0.6495 0.9607 0.9607 3.7731 3.7731 5.7088 5.7088 5.9759 5.9759 6.4422 6.4422 6.4629 6.4629 6.7895 6.7895 7.1079 7.1079 7.9260 7.9260 8.1151 8.1151 8.5238 8.5238 9.3493 9.3493 10.1656 10.1656 10.4276 10.4276 k = 0.0508 0.0508 0.3415 ( 2786 PWs) bands (ev): -9.6158 -9.6158 -4.1442 -4.1442 0.5426 0.5426 0.6317 0.6317 0.8912 0.8912 3.7757 3.7757 5.7632 5.7632 5.9797 5.9797 6.4339 6.4339 6.4542 6.4542 6.7800 6.7800 7.1118 7.1118 7.9230 7.9230 8.1829 8.1829 8.5205 8.5205 9.2681 9.2681 10.2469 10.2469 10.5095 10.5095 k = 0.0424 0.0424 0.3415 ( 2786 PWs) bands (ev): -9.6296 -9.6296 -4.1011 -4.1011 0.5514 0.5514 0.6167 0.6167 0.8348 0.8348 3.7780 3.7780 5.8069 5.8069 5.9857 5.9857 6.4248 6.4248 6.4488 6.4488 6.7713 6.7713 7.1149 7.1149 7.9205 7.9205 8.2518 8.2518 8.5178 8.5178 9.1872 9.1872 10.3168 10.3168 10.5851 10.5851 k = 0.0339 0.0339 0.3415 ( 2786 PWs) bands (ev): -9.6409 -9.6409 -4.0649 -4.0649 0.5537 0.5537 0.6044 0.6044 0.7927 0.7927 3.7798 3.7798 5.8396 5.8396 5.9938 5.9938 6.4162 6.4162 6.4453 6.4453 6.7636 6.7636 7.1173 7.1173 7.9184 7.9184 8.3205 8.3205 8.5158 8.5158 9.1082 9.1082 10.3733 10.3733 10.6526 10.6526 k = 0.0254 0.0254 0.3415 ( 2798 PWs) bands (ev): -9.6498 -9.6498 -4.0360 -4.0360 0.5503 0.5503 0.5947 0.5947 0.7645 0.7645 3.7813 3.7813 5.8622 5.8622 6.0032 6.0032 6.4092 6.4092 6.4427 6.4427 6.7571 6.7571 7.1191 7.1191 7.9166 7.9166 8.3866 8.3866 8.5145 8.5145 9.0336 9.0336 10.4160 10.4160 10.7099 10.7099 k = 0.0169 0.0169 0.3415 ( 2800 PWs) bands (ev): -9.6561 -9.6561 -4.0151 -4.0151 0.5438 0.5438 0.5879 0.5879 0.7481 0.7481 3.7823 3.7823 5.8762 5.8762 6.0122 6.0122 6.4040 6.4040 6.4411 6.4411 6.7522 6.7522 7.1204 7.1204 7.9154 7.9154 8.4451 8.4451 8.5147 8.5147 8.9677 8.9677 10.4453 10.4453 10.7546 10.7546 k = 0.0085 0.0085 0.3415 ( 2800 PWs) bands (ev): -9.6599 -9.6599 -4.0023 -4.0023 0.5381 0.5381 0.5838 0.5838 0.7400 0.7400 3.7830 3.7830 5.8837 5.8837 6.0186 6.0186 6.4009 6.4009 6.4402 6.4402 6.7491 6.7491 7.1210 7.1210 7.9147 7.9147 8.4853 8.4853 8.5192 8.5192 8.9188 8.9188 10.4623 10.4623 10.7838 10.7838 k = 0.0000 0.0000 0.3415 ( 2798 PWs) bands (ev): -9.6611 -9.6611 -3.9980 -3.9980 0.5358 0.5358 0.5824 0.5824 0.7377 0.7377 3.7832 3.7832 5.8860 5.8860 6.0210 6.0210 6.3998 6.3998 6.4399 6.4399 6.7481 6.7481 7.1213 7.1213 7.9145 7.9145 8.4963 8.4963 8.5257 8.5257 8.8998 8.8998 10.4678 10.4678 10.7940 10.7940 k = 0.0000 0.5000-0.0000 ( 2820 PWs) bands (ev): -7.5817 -7.5817 -7.5817 -7.5817 2.6154 2.6154 2.6154 2.6154 2.7974 2.7974 2.7974 2.7974 3.8642 3.8642 3.8642 3.8642 6.6201 6.6201 6.6201 6.6201 6.8437 6.8437 6.8437 6.8437 7.2681 7.2681 7.2681 7.2681 8.6458 8.6458 8.6458 8.6458 9.0230 9.0230 9.0230 9.0230 k = 0.0000 0.5000 0.0118 ( 2820 PWs) bands (ev): -7.5817 -7.5817 -7.5817 -7.5817 2.6151 2.6151 2.6151 2.6151 2.7971 2.7971 2.7971 2.7971 3.8642 3.8642 3.8642 3.8642 6.6206 6.6206 6.6206 6.6206 6.8440 6.8440 6.8440 6.8440 7.2674 7.2674 7.2674 7.2674 8.6450 8.6450 8.6450 8.6450 9.0228 9.0228 9.0228 9.0228 k = 0.0000 0.5000 0.0236 ( 2800 PWs) bands (ev): -7.5816 -7.5816 -7.5816 -7.5816 2.6143 2.6143 2.6143 2.6143 2.7962 2.7962 2.7962 2.7962 3.8641 3.8641 3.8641 3.8641 6.6222 6.6222 6.6222 6.6222 6.8451 6.8451 6.8451 6.8451 7.2653 7.2653 7.2653 7.2653 8.6429 8.6429 8.6429 8.6429 9.0222 9.0222 9.0222 9.0222 k = 0.0000 0.5000 0.0353 ( 2796 PWs) bands (ev): -7.5815 -7.5815 -7.5815 -7.5815 2.6129 2.6129 2.6129 2.6129 2.7948 2.7948 2.7948 2.7948 3.8640 3.8640 3.8640 3.8640 6.6246 6.6246 6.6246 6.6246 6.8465 6.8465 6.8465 6.8465 7.2617 7.2617 7.2617 7.2617 8.6394 8.6394 8.6394 8.6394 9.0212 9.0212 9.0212 9.0212 k = 0.0000 0.5000 0.0471 ( 2806 PWs) bands (ev): -7.5813 -7.5813 -7.5813 -7.5813 2.6110 2.6110 2.6110 2.6110 2.7927 2.7927 2.7927 2.7927 3.8639 3.8639 3.8639 3.8639 6.6279 6.6279 6.6279 6.6279 6.8484 6.8484 6.8484 6.8484 7.2567 7.2567 7.2567 7.2567 8.6345 8.6345 8.6345 8.6345 9.0197 9.0197 9.0197 9.0197 k = 0.0000 0.5000 0.0589 ( 2806 PWs) bands (ev): -7.5811 -7.5811 -7.5811 -7.5811 2.6085 2.6085 2.6085 2.6085 2.7902 2.7902 2.7902 2.7902 3.8637 3.8637 3.8637 3.8637 6.6321 6.6321 6.6321 6.6321 6.8509 6.8509 6.8509 6.8509 7.2504 7.2504 7.2504 7.2504 8.6287 8.6287 8.6287 8.6287 9.0178 9.0178 9.0178 9.0178 k = 0.0000 0.5000 0.0707 ( 2806 PWs) bands (ev): -7.5808 -7.5808 -7.5808 -7.5808 2.6054 2.6054 2.6054 2.6054 2.7873 2.7873 2.7873 2.7873 3.8635 3.8635 3.8635 3.8635 6.6372 6.6372 6.6372 6.6372 6.8539 6.8539 6.8539 6.8539 7.2431 7.2431 7.2431 7.2431 8.6221 8.6221 8.6221 8.6221 9.0155 9.0155 9.0155 9.0155 k = 0.0000 0.5000 0.0824 ( 2808 PWs) bands (ev): -7.5806 -7.5806 -7.5806 -7.5806 2.6018 2.6018 2.6018 2.6018 2.7841 2.7841 2.7841 2.7841 3.8632 3.8632 3.8632 3.8632 6.6430 6.6430 6.6430 6.6430 6.8573 6.8573 6.8573 6.8573 7.2346 7.2346 7.2346 7.2346 8.6147 8.6147 8.6147 8.6147 9.0128 9.0128 9.0128 9.0128 k = 0.0000 0.5000 0.0942 ( 2824 PWs) bands (ev): -7.5802 -7.5802 -7.5802 -7.5802 2.5976 2.5976 2.5976 2.5976 2.7805 2.7805 2.7805 2.7805 3.8630 3.8630 3.8630 3.8630 6.6496 6.6496 6.6496 6.6496 6.8612 6.8612 6.8612 6.8612 7.2250 7.2250 7.2250 7.2250 8.6068 8.6068 8.6068 8.6068 9.0097 9.0097 9.0097 9.0097 k = 0.0000 0.5000 0.1060 ( 2806 PWs) bands (ev): -7.5799 -7.5799 -7.5799 -7.5799 2.5930 2.5930 2.5930 2.5930 2.7768 2.7768 2.7768 2.7768 3.8627 3.8627 3.8627 3.8627 6.6570 6.6570 6.6570 6.6570 6.8655 6.8655 6.8655 6.8655 7.2149 7.2149 7.2149 7.2149 8.5987 8.5987 8.5987 8.5987 9.0065 9.0065 9.0065 9.0065 k = 0.0000 0.5000 0.1178 ( 2802 PWs) bands (ev): -7.5795 -7.5795 -7.5795 -7.5795 2.5879 2.5879 2.5879 2.5879 2.7729 2.7729 2.7729 2.7729 3.8625 3.8625 3.8625 3.8625 6.6650 6.6650 6.6650 6.6650 6.8702 6.8702 6.8702 6.8702 7.2039 7.2039 7.2039 7.2039 8.5904 8.5904 8.5904 8.5904 9.0029 9.0029 9.0029 9.0029 k = 0.0000 0.5000 0.1295 ( 2802 PWs) bands (ev): -7.5791 -7.5791 -7.5791 -7.5791 2.5823 2.5823 2.5823 2.5823 2.7690 2.7690 2.7690 2.7690 3.8623 3.8623 3.8623 3.8623 6.6735 6.6735 6.6735 6.6735 6.8751 6.8751 6.8751 6.8751 7.1923 7.1923 7.1923 7.1923 8.5820 8.5820 8.5820 8.5820 8.9990 8.9990 8.9990 8.9990 k = 0.0000 0.5000 0.1413 ( 2802 PWs) bands (ev): -7.5787 -7.5787 -7.5787 -7.5787 2.5763 2.5763 2.5763 2.5763 2.7651 2.7651 2.7651 2.7651 3.8621 3.8621 3.8621 3.8621 6.6826 6.6826 6.6826 6.6826 6.8803 6.8803 6.8803 6.8803 7.1802 7.1802 7.1802 7.1802 8.5736 8.5736 8.5736 8.5736 8.9949 8.9949 8.9949 8.9949 k = 0.0000 0.5000 0.1531 ( 2802 PWs) bands (ev): -7.5782 -7.5782 -7.5782 -7.5782 2.5699 2.5699 2.5699 2.5699 2.7612 2.7612 2.7612 2.7612 3.8620 3.8620 3.8620 3.8620 6.6921 6.6921 6.6921 6.6921 6.8857 6.8857 6.8857 6.8857 7.1678 7.1678 7.1678 7.1678 8.5653 8.5653 8.5653 8.5653 8.9907 8.9907 8.9907 8.9907 k = 0.0000 0.5000 0.1649 ( 2802 PWs) bands (ev): -7.5778 -7.5778 -7.5778 -7.5778 2.5633 2.5633 2.5633 2.5633 2.7575 2.7575 2.7575 2.7575 3.8619 3.8619 3.8619 3.8619 6.7020 6.7020 6.7020 6.7020 6.8911 6.8911 6.8911 6.8911 7.1551 7.1551 7.1551 7.1551 8.5573 8.5573 8.5573 8.5573 8.9864 8.9864 8.9864 8.9864 k = 0.0000 0.5000 0.1766 ( 2804 PWs) bands (ev): -7.5773 -7.5773 -7.5773 -7.5773 2.5565 2.5565 2.5565 2.5565 2.7540 2.7540 2.7540 2.7540 3.8618 3.8618 3.8618 3.8618 6.7121 6.7121 6.7121 6.7121 6.8966 6.8966 6.8966 6.8966 7.1423 7.1423 7.1423 7.1423 8.5495 8.5495 8.5495 8.5495 8.9820 8.9820 8.9820 8.9820 k = 0.0000 0.5000 0.1884 ( 2804 PWs) bands (ev): -7.5769 -7.5769 -7.5769 -7.5769 2.5496 2.5496 2.5496 2.5496 2.7506 2.7506 2.7506 2.7506 3.8617 3.8617 3.8617 3.8617 6.7225 6.7225 6.7225 6.7225 6.9021 6.9021 6.9021 6.9021 7.1294 7.1294 7.1294 7.1294 8.5420 8.5420 8.5420 8.5420 8.9776 8.9776 8.9776 8.9776 k = 0.0000 0.5000 0.2002 ( 2800 PWs) bands (ev): -7.5764 -7.5764 -7.5764 -7.5764 2.5427 2.5427 2.5427 2.5427 2.7475 2.7475 2.7475 2.7475 3.8617 3.8617 3.8617 3.8617 6.7330 6.7330 6.7330 6.7330 6.9076 6.9076 6.9076 6.9076 7.1166 7.1166 7.1166 7.1166 8.5348 8.5348 8.5348 8.5348 8.9733 8.9733 8.9733 8.9733 k = 0.0000 0.5000 0.2120 ( 2800 PWs) bands (ev): -7.5760 -7.5760 -7.5760 -7.5760 2.5359 2.5359 2.5359 2.5359 2.7446 2.7446 2.7446 2.7446 3.8617 3.8617 3.8617 3.8617 6.7436 6.7436 6.7436 6.7436 6.9128 6.9128 6.9128 6.9128 7.1038 7.1038 7.1038 7.1038 8.5281 8.5281 8.5281 8.5281 8.9690 8.9690 8.9690 8.9690 k = 0.0000 0.5000 0.2237 ( 2796 PWs) bands (ev): -7.5756 -7.5756 -7.5756 -7.5756 2.5293 2.5293 2.5293 2.5293 2.7420 2.7420 2.7420 2.7420 3.8617 3.8617 3.8617 3.8617 6.7543 6.7543 6.7543 6.7543 6.9179 6.9179 6.9179 6.9179 7.0914 7.0914 7.0914 7.0914 8.5218 8.5218 8.5218 8.5218 8.9649 8.9649 8.9649 8.9649 k = 0.0000 0.5000 0.2355 ( 2806 PWs) bands (ev): -7.5752 -7.5752 -7.5752 -7.5752 2.5230 2.5230 2.5230 2.5230 2.7396 2.7396 2.7396 2.7396 3.8618 3.8618 3.8618 3.8618 6.7646 6.7646 6.7646 6.7646 6.9226 6.9226 6.9226 6.9226 7.0791 7.0791 7.0791 7.0791 8.5160 8.5160 8.5160 8.5160 8.9610 8.9610 8.9610 8.9610 k = 0.0000 0.5000 0.2473 ( 2806 PWs) bands (ev): -7.5749 -7.5749 -7.5749 -7.5749 2.5170 2.5170 2.5170 2.5170 2.7374 2.7374 2.7374 2.7374 3.8618 3.8618 3.8618 3.8618 6.7749 6.7749 6.7749 6.7749 6.9270 6.9270 6.9270 6.9270 7.0675 7.0675 7.0675 7.0675 8.5107 8.5107 8.5107 8.5107 8.9574 8.9574 8.9574 8.9574 k = 0.0000 0.5000 0.2591 ( 2806 PWs) bands (ev): -7.5746 -7.5746 -7.5746 -7.5746 2.5116 2.5116 2.5116 2.5116 2.7355 2.7355 2.7355 2.7355 3.8619 3.8619 3.8619 3.8619 6.7847 6.7847 6.7847 6.7847 6.9310 6.9310 6.9310 6.9310 7.0564 7.0564 7.0564 7.0564 8.5059 8.5059 8.5059 8.5059 8.9541 8.9541 8.9541 8.9541 k = 0.0000 0.5000 0.2708 ( 2810 PWs) bands (ev): -7.5743 -7.5743 -7.5743 -7.5743 2.5067 2.5067 2.5067 2.5067 2.7339 2.7339 2.7339 2.7339 3.8620 3.8620 3.8620 3.8620 6.7940 6.7940 6.7940 6.7940 6.9346 6.9346 6.9346 6.9346 7.0461 7.0461 7.0461 7.0461 8.5018 8.5018 8.5018 8.5018 8.9511 8.9511 8.9511 8.9511 k = 0.0000 0.5000 0.2826 ( 2810 PWs) bands (ev): -7.5740 -7.5740 -7.5740 -7.5740 2.5024 2.5024 2.5024 2.5024 2.7325 2.7325 2.7325 2.7325 3.8621 3.8621 3.8621 3.8621 6.8026 6.8026 6.8026 6.8026 6.9376 6.9376 6.9376 6.9376 7.0368 7.0368 7.0368 7.0368 8.4982 8.4982 8.4982 8.4982 8.9485 8.9485 8.9485 8.9485 k = 0.0000 0.5000 0.2944 ( 2810 PWs) bands (ev): -7.5738 -7.5738 -7.5738 -7.5738 2.4989 2.4989 2.4989 2.4989 2.7314 2.7314 2.7314 2.7314 3.8621 3.8621 3.8621 3.8621 6.8102 6.8102 6.8102 6.8102 6.9400 6.9400 6.9400 6.9400 7.0286 7.0286 7.0286 7.0286 8.4953 8.4953 8.4953 8.4953 8.9463 8.9463 8.9463 8.9463 k = 0.0000 0.5000 0.3062 ( 2824 PWs) bands (ev): -7.5736 -7.5736 -7.5736 -7.5736 2.4960 2.4960 2.4960 2.4960 2.7305 2.7305 2.7305 2.7305 3.8622 3.8622 3.8622 3.8622 6.8165 6.8165 6.8165 6.8165 6.9418 6.9418 6.9418 6.9418 7.0218 7.0218 7.0218 7.0218 8.4929 8.4929 8.4929 8.4929 8.9446 8.9446 8.9446 8.9446 k = 0.0000 0.5000 0.3180 ( 2828 PWs) bands (ev): -7.5735 -7.5735 -7.5735 -7.5735 2.4940 2.4940 2.4940 2.4940 2.7299 2.7299 2.7299 2.7299 3.8622 3.8622 3.8622 3.8622 6.8213 6.8213 6.8213 6.8213 6.9431 6.9431 6.9431 6.9431 7.0167 7.0167 7.0167 7.0167 8.4913 8.4913 8.4913 8.4913 8.9433 8.9433 8.9433 8.9433 k = 0.0000 0.5000 0.3297 ( 2828 PWs) bands (ev): -7.5734 -7.5734 -7.5734 -7.5734 2.4927 2.4927 2.4927 2.4927 2.7295 2.7295 2.7295 2.7295 3.8622 3.8622 3.8622 3.8622 6.8244 6.8244 6.8244 6.8244 6.9438 6.9438 6.9438 6.9438 7.0136 7.0136 7.0136 7.0136 8.4903 8.4903 8.4903 8.4903 8.9425 8.9425 8.9425 8.9425 k = 0.0000 0.5000 0.3415 ( 2820 PWs) bands (ev): -7.5734 -7.5734 -7.5734 -7.5734 2.4923 2.4923 2.4923 2.4923 2.7294 2.7294 2.7294 2.7294 3.8623 3.8623 3.8623 3.8623 6.8254 6.8254 6.8254 6.8254 6.9442 6.9442 6.9442 6.9442 7.0125 7.0125 7.0125 7.0125 8.4899 8.4899 8.4899 8.4899 8.9423 8.9423 8.9423 8.9423 k = 0.5000 0.5000-0.0000 ( 2820 PWs) bands (ev): -6.8844 -6.8844 -6.8844 -6.8844 -1.2274 -1.2274 -1.2274 -1.2274 3.5980 3.5980 3.5980 3.5980 6.3659 6.3659 6.3659 6.3659 6.7653 6.7653 6.7653 6.7653 6.9323 6.9323 6.9323 6.9323 7.2011 7.2011 7.2011 7.2011 7.5262 7.5262 7.5262 7.5262 11.1522 11.1522 11.1522 11.1522 k = 0.5000 0.5000 0.0118 ( 2800 PWs) bands (ev): -6.8844 -6.8844 -6.8844 -6.8844 -1.2273 -1.2273 -1.2273 -1.2273 3.5978 3.5978 3.5978 3.5978 6.3660 6.3660 6.3660 6.3660 6.7648 6.7648 6.7648 6.7648 6.9319 6.9319 6.9319 6.9319 7.2010 7.2010 7.2010 7.2010 7.5267 7.5267 7.5267 7.5267 11.1478 11.1478 11.1478 11.1478 k = 0.5000 0.5000 0.0236 ( 2792 PWs) bands (ev): -6.8843 -6.8843 -6.8843 -6.8843 -1.2271 -1.2271 -1.2271 -1.2271 3.5971 3.5971 3.5971 3.5971 6.3660 6.3660 6.3660 6.3660 6.7632 6.7632 6.7632 6.7632 6.9304 6.9304 6.9304 6.9304 7.2006 7.2006 7.2006 7.2006 7.5279 7.5279 7.5279 7.5279 11.1349 11.1349 11.1349 11.1349 k = 0.5000 0.5000 0.0353 ( 2792 PWs) bands (ev): -6.8843 -6.8843 -6.8843 -6.8843 -1.2266 -1.2266 -1.2266 -1.2266 3.5959 3.5959 3.5959 3.5959 6.3660 6.3660 6.3660 6.3660 6.7604 6.7604 6.7604 6.7604 6.9280 6.9280 6.9280 6.9280 7.1997 7.1997 7.1997 7.1997 7.5299 7.5299 7.5299 7.5299 11.1143 11.1143 11.1143 11.1143 k = 0.5000 0.5000 0.0471 ( 2792 PWs) bands (ev): -6.8842 -6.8842 -6.8842 -6.8842 -1.2260 -1.2260 -1.2260 -1.2260 3.5943 3.5943 3.5943 3.5943 6.3659 6.3659 6.3659 6.3659 6.7566 6.7566 6.7566 6.7566 6.9246 6.9246 6.9246 6.9246 7.1985 7.1985 7.1985 7.1985 7.5327 7.5327 7.5327 7.5327 11.0870 11.0870 11.0870 11.0870 k = 0.5000 0.5000 0.0589 ( 2792 PWs) bands (ev): -6.8842 -6.8842 -6.8842 -6.8842 -1.2252 -1.2252 -1.2252 -1.2252 3.5922 3.5922 3.5922 3.5922 6.3659 6.3659 6.3659 6.3659 6.7518 6.7518 6.7518 6.7518 6.9205 6.9205 6.9205 6.9205 7.1969 7.1969 7.1969 7.1969 7.5360 7.5360 7.5360 7.5360 11.0543 11.0543 11.0543 11.0543 k = 0.5000 0.5000 0.0707 ( 2792 PWs) bands (ev): -6.8841 -6.8841 -6.8841 -6.8841 -1.2243 -1.2243 -1.2243 -1.2243 3.5898 3.5898 3.5898 3.5898 6.3659 6.3659 6.3659 6.3659 6.7460 6.7460 6.7460 6.7460 6.9155 6.9155 6.9155 6.9155 7.1952 7.1952 7.1952 7.1952 7.5400 7.5400 7.5400 7.5400 11.0176 11.0176 11.0176 11.0176 k = 0.5000 0.5000 0.0824 ( 2792 PWs) bands (ev): -6.8840 -6.8840 -6.8840 -6.8840 -1.2232 -1.2232 -1.2232 -1.2232 3.5869 3.5869 3.5869 3.5869 6.3658 6.3658 6.3658 6.3658 6.7393 6.7393 6.7393 6.7393 6.9100 6.9100 6.9100 6.9100 7.1932 7.1932 7.1932 7.1932 7.5444 7.5444 7.5444 7.5444 10.9781 10.9781 10.9781 10.9781 k = 0.5000 0.5000 0.0942 ( 2792 PWs) bands (ev): -6.8838 -6.8838 -6.8838 -6.8838 -1.2220 -1.2220 -1.2220 -1.2220 3.5837 3.5837 3.5837 3.5837 6.3657 6.3657 6.3657 6.3657 6.7317 6.7317 6.7317 6.7317 6.9039 6.9039 6.9039 6.9039 7.1911 7.1911 7.1911 7.1911 7.5492 7.5492 7.5492 7.5492 10.9369 10.9369 10.9369 10.9369 k = 0.5000 0.5000 0.1060 ( 2800 PWs) bands (ev): -6.8837 -6.8837 -6.8837 -6.8837 -1.2207 -1.2207 -1.2207 -1.2207 3.5803 3.5803 3.5803 3.5803 6.3656 6.3656 6.3656 6.3656 6.7233 6.7233 6.7233 6.7233 6.8972 6.8972 6.8972 6.8972 7.1889 7.1889 7.1889 7.1889 7.5543 7.5543 7.5543 7.5543 10.8948 10.8948 10.8948 10.8948 k = 0.5000 0.5000 0.1178 ( 2804 PWs) bands (ev): -6.8836 -6.8836 -6.8836 -6.8836 -1.2192 -1.2192 -1.2192 -1.2192 3.5765 3.5765 3.5765 3.5765 6.3655 6.3655 6.3655 6.3655 6.7142 6.7142 6.7142 6.7142 6.8903 6.8903 6.8903 6.8903 7.1866 7.1866 7.1866 7.1866 7.5596 7.5596 7.5596 7.5596 10.8527 10.8527 10.8527 10.8527 k = 0.5000 0.5000 0.1295 ( 2812 PWs) bands (ev): -6.8834 -6.8834 -6.8834 -6.8834 -1.2177 -1.2177 -1.2177 -1.2177 3.5726 3.5726 3.5726 3.5726 6.3653 6.3653 6.3653 6.3653 6.7044 6.7044 6.7044 6.7044 6.8831 6.8831 6.8831 6.8831 7.1843 7.1843 7.1843 7.1843 7.5650 7.5650 7.5650 7.5650 10.8113 10.8113 10.8113 10.8113 k = 0.5000 0.5000 0.1413 ( 2812 PWs) bands (ev): -6.8833 -6.8833 -6.8833 -6.8833 -1.2161 -1.2161 -1.2161 -1.2161 3.5685 3.5685 3.5685 3.5685 6.3652 6.3652 6.3652 6.3652 6.6944 6.6944 6.6944 6.6944 6.8758 6.8758 6.8758 6.8758 7.1820 7.1820 7.1820 7.1820 7.5704 7.5704 7.5704 7.5704 10.7708 10.7708 10.7708 10.7708 k = 0.5000 0.5000 0.1531 ( 2812 PWs) bands (ev): -6.8831 -6.8831 -6.8831 -6.8831 -1.2145 -1.2145 -1.2145 -1.2145 3.5642 3.5642 3.5642 3.5642 6.3651 6.3651 6.3651 6.3651 6.6838 6.6838 6.6838 6.6838 6.8685 6.8685 6.8685 6.8685 7.1798 7.1798 7.1798 7.1798 7.5758 7.5758 7.5758 7.5758 10.7319 10.7319 10.7319 10.7319 k = 0.5000 0.5000 0.1649 ( 2808 PWs) bands (ev): -6.8830 -6.8830 -6.8830 -6.8830 -1.2128 -1.2128 -1.2128 -1.2128 3.5599 3.5599 3.5599 3.5599 6.3649 6.3649 6.3649 6.3649 6.6730 6.6730 6.6730 6.6730 6.8612 6.8612 6.8612 6.8612 7.1779 7.1779 7.1779 7.1779 7.5812 7.5812 7.5812 7.5812 10.6947 10.6947 10.6947 10.6947 k = 0.5000 0.5000 0.1766 ( 2808 PWs) bands (ev): -6.8828 -6.8828 -6.8828 -6.8828 -1.2111 -1.2111 -1.2111 -1.2111 3.5556 3.5556 3.5556 3.5556 6.3647 6.3647 6.3647 6.3647 6.6621 6.6621 6.6621 6.6621 6.8541 6.8541 6.8541 6.8541 7.1759 7.1759 7.1759 7.1759 7.5864 7.5864 7.5864 7.5864 10.6594 10.6594 10.6594 10.6594 k = 0.5000 0.5000 0.1884 ( 2808 PWs) bands (ev): -6.8827 -6.8827 -6.8827 -6.8827 -1.2094 -1.2094 -1.2094 -1.2094 3.5513 3.5513 3.5513 3.5513 6.3645 6.3645 6.3645 6.3645 6.6513 6.6513 6.6513 6.6513 6.8472 6.8472 6.8472 6.8472 7.1741 7.1741 7.1741 7.1741 7.5913 7.5913 7.5913 7.5913 10.6263 10.6263 10.6263 10.6263 k = 0.5000 0.5000 0.2002 ( 2808 PWs) bands (ev): -6.8825 -6.8825 -6.8825 -6.8825 -1.2078 -1.2078 -1.2078 -1.2078 3.5471 3.5471 3.5471 3.5471 6.3643 6.3643 6.3643 6.3643 6.6406 6.6406 6.6406 6.6406 6.8405 6.8405 6.8405 6.8405 7.1723 7.1723 7.1723 7.1723 7.5961 7.5961 7.5961 7.5961 10.5955 10.5955 10.5955 10.5955 k = 0.5000 0.5000 0.2120 ( 2800 PWs) bands (ev): -6.8823 -6.8823 -6.8823 -6.8823 -1.2062 -1.2062 -1.2062 -1.2062 3.5430 3.5430 3.5430 3.5430 6.3641 6.3641 6.3641 6.3641 6.6302 6.6302 6.6302 6.6302 6.8342 6.8342 6.8342 6.8342 7.1708 7.1708 7.1708 7.1708 7.6005 7.6005 7.6005 7.6005 10.5670 10.5670 10.5670 10.5670 k = 0.5000 0.5000 0.2237 ( 2800 PWs) bands (ev): -6.8822 -6.8822 -6.8822 -6.8822 -1.2046 -1.2046 -1.2046 -1.2046 3.5392 3.5392 3.5392 3.5392 6.3639 6.3639 6.3639 6.3639 6.6203 6.6203 6.6203 6.6203 6.8283 6.8283 6.8283 6.8283 7.1694 7.1694 7.1694 7.1694 7.6046 7.6046 7.6046 7.6046 10.5410 10.5410 10.5410 10.5410 k = 0.5000 0.5000 0.2355 ( 2792 PWs) bands (ev): -6.8821 -6.8821 -6.8821 -6.8821 -1.2032 -1.2032 -1.2032 -1.2032 3.5355 3.5355 3.5355 3.5355 6.3636 6.3636 6.3636 6.3636 6.6109 6.6109 6.6109 6.6109 6.8228 6.8228 6.8228 6.8228 7.1682 7.1682 7.1682 7.1682 7.6085 7.6085 7.6085 7.6085 10.5174 10.5174 10.5174 10.5174 k = 0.5000 0.5000 0.2473 ( 2788 PWs) bands (ev): -6.8819 -6.8819 -6.8819 -6.8819 -1.2018 -1.2018 -1.2018 -1.2018 3.5321 3.5321 3.5321 3.5321 6.3633 6.3633 6.3633 6.3633 6.6023 6.6023 6.6023 6.6023 6.8179 6.8179 6.8179 6.8179 7.1669 7.1669 7.1669 7.1669 7.6119 7.6119 7.6119 7.6119 10.4963 10.4963 10.4963 10.4963 k = 0.5000 0.5000 0.2591 ( 2800 PWs) bands (ev): -6.8818 -6.8818 -6.8818 -6.8818 -1.2006 -1.2006 -1.2006 -1.2006 3.5290 3.5290 3.5290 3.5290 6.3629 6.3629 6.3629 6.3629 6.5943 6.5943 6.5943 6.5943 6.8132 6.8132 6.8132 6.8132 7.1659 7.1659 7.1659 7.1659 7.6149 7.6149 7.6149 7.6149 10.4777 10.4777 10.4777 10.4777 k = 0.5000 0.5000 0.2708 ( 2792 PWs) bands (ev): -6.8817 -6.8817 -6.8817 -6.8817 -1.1995 -1.1995 -1.1995 -1.1995 3.5262 3.5262 3.5262 3.5262 6.3627 6.3627 6.3627 6.3627 6.5872 6.5872 6.5872 6.5872 6.8094 6.8094 6.8094 6.8094 7.1651 7.1651 7.1651 7.1651 7.6176 7.6176 7.6176 7.6176 10.4615 10.4615 10.4615 10.4615 k = 0.5000 0.5000 0.2826 ( 2792 PWs) bands (ev): -6.8816 -6.8816 -6.8816 -6.8816 -1.1986 -1.1986 -1.1986 -1.1986 3.5238 3.5238 3.5238 3.5238 6.3624 6.3624 6.3624 6.3624 6.5810 6.5810 6.5810 6.5810 6.8060 6.8060 6.8060 6.8060 7.1644 7.1644 7.1644 7.1644 7.6199 7.6199 7.6199 7.6199 10.4479 10.4479 10.4479 10.4479 k = 0.5000 0.5000 0.2944 ( 2808 PWs) bands (ev): -6.8815 -6.8815 -6.8815 -6.8815 -1.1978 -1.1978 -1.1978 -1.1978 3.5218 3.5218 3.5218 3.5218 6.3621 6.3621 6.3621 6.3621 6.5759 6.5759 6.5759 6.5759 6.8030 6.8030 6.8030 6.8030 7.1638 7.1638 7.1638 7.1638 7.6216 7.6216 7.6216 7.6216 10.4367 10.4367 10.4367 10.4367 k = 0.5000 0.5000 0.3062 ( 2800 PWs) bands (ev): -6.8815 -6.8815 -6.8815 -6.8815 -1.1971 -1.1971 -1.1971 -1.1971 3.5202 3.5202 3.5202 3.5202 6.3619 6.3619 6.3619 6.3619 6.5718 6.5718 6.5718 6.5718 6.8008 6.8008 6.8008 6.8008 7.1634 7.1634 7.1634 7.1634 7.6231 7.6231 7.6231 7.6231 10.4281 10.4281 10.4281 10.4281 k = 0.5000 0.5000 0.3180 ( 2792 PWs) bands (ev): -6.8814 -6.8814 -6.8814 -6.8814 -1.1967 -1.1967 -1.1967 -1.1967 3.5191 3.5191 3.5191 3.5191 6.3619 6.3619 6.3619 6.3619 6.5689 6.5689 6.5689 6.5689 6.7993 6.7993 6.7993 6.7993 7.1632 7.1632 7.1632 7.1632 7.6242 7.6242 7.6242 7.6242 10.4219 10.4219 10.4219 10.4219 k = 0.5000 0.5000 0.3297 ( 2792 PWs) bands (ev): -6.8814 -6.8814 -6.8814 -6.8814 -1.1964 -1.1964 -1.1964 -1.1964 3.5184 3.5184 3.5184 3.5184 6.3618 6.3618 6.3618 6.3618 6.5672 6.5672 6.5672 6.5672 6.7983 6.7983 6.7983 6.7983 7.1630 7.1630 7.1630 7.1630 7.6248 7.6248 7.6248 7.6248 10.4182 10.4182 10.4182 10.4182 k = 0.5000 0.5000 0.3415 ( 2792 PWs) bands (ev): -6.8814 -6.8814 -6.8814 -6.8814 -1.1963 -1.1963 -1.1963 -1.1963 3.5182 3.5182 3.5182 3.5182 6.3618 6.3618 6.3618 6.3618 6.5666 6.5666 6.5666 6.5666 6.7980 6.7980 6.7980 6.7980 7.1629 7.1629 7.1629 7.1629 7.6250 7.6250 7.6250 7.6250 10.4170 10.4170 10.4170 10.4170 Writing output data file FeSe.save init_run : 0.13s CPU 0.27s WALL ( 1 calls) electrons : 75.14s CPU 76.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 75.14s CPU 76.96s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 382 calls) cegterg : 68.00s CPU 69.26s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 34.50s CPU 35.51s WALL ( 6803 calls) s_psi : 2.49s CPU 2.61s WALL ( 6803 calls) g_psi : 0.13s CPU 0.12s WALL ( 6016 calls) cdiaghg : 29.76s CPU 30.14s WALL ( 6398 calls) cegterg:over : 2.60s CPU 2.59s WALL ( 6016 calls) cegterg:upda : 1.82s CPU 1.85s WALL ( 6016 calls) cegterg:last : 1.18s CPU 1.15s WALL ( 1212 calls) cdiaghg:chol : 1.58s CPU 1.56s WALL ( 6398 calls) cdiaghg:inve : 0.86s CPU 0.89s WALL ( 6398 calls) cdiaghg:para : 1.69s CPU 1.67s WALL ( 12796 calls) Called by h_psi: h_psi:vloc : 29.64s CPU 30.57s WALL ( 6803 calls) h_psi:vnl : 4.77s CPU 4.86s WALL ( 6803 calls) add_vuspsi : 2.44s CPU 2.48s WALL ( 6803 calls) General routines calbec : 2.30s CPU 2.37s WALL ( 6803 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.77s CPU 28.63s WALL ( 599736 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.16s WALL ( 764 calls) Parallel routines fft_scatter : 14.03s CPU 14.61s WALL ( 599759 calls) PWSCF : 1m26.15s CPU 1m37.25s WALL This run was terminated on: 18:25: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=