Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:23:14 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 16 12 4 478 320 56 Max 17 13 5 487 331 60 Sum 593 457 145 17363 11743 2117 bravais-lattice index = 14 lattice parameter (alat) = 5.5936 a.u. unit-cell volume = 279.6669 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 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)= 5.593589 celldm(2)= 1.000000 celldm(3)= 1.597973 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 1.597973 ) 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 0.625793 ) 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 s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 479 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 2) = ( 0.0000000 0.0092593 -0.0000000), wk = 0.0020877 k( 3) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0020877 k( 4) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0020877 k( 5) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0020877 k( 6) = ( 0.0000000 0.0462963 -0.0000000), wk = 0.0020877 k( 7) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0020877 k( 8) = ( 0.0000000 0.0648148 -0.0000000), wk = 0.0020877 k( 9) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0020877 k( 10) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0020877 k( 11) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0020877 k( 12) = ( 0.0000000 0.1018518 -0.0000000), wk = 0.0020877 k( 13) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0020877 k( 14) = ( 0.0000000 0.1203704 -0.0000000), wk = 0.0020877 k( 15) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0020877 k( 16) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0020877 k( 17) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0020877 k( 18) = ( 0.0000000 0.1574074 -0.0000000), wk = 0.0020877 k( 19) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0020877 k( 20) = ( 0.0000000 0.1759259 -0.0000000), wk = 0.0020877 k( 21) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0020877 k( 22) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0020877 k( 23) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0020877 k( 24) = ( 0.0000000 0.2129630 -0.0000000), wk = 0.0020877 k( 25) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0020877 k( 26) = ( 0.0000000 0.2314815 -0.0000000), wk = 0.0020877 k( 27) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0020877 k( 28) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0020877 k( 29) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0020877 k( 30) = ( 0.0000000 0.2685185 -0.0000000), wk = 0.0020877 k( 31) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0020877 k( 32) = ( 0.0000000 0.2870370 -0.0000000), wk = 0.0020877 k( 33) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0020877 k( 34) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0020877 k( 35) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0020877 k( 36) = ( 0.0000000 0.3240741 -0.0000000), wk = 0.0020877 k( 37) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0020877 k( 38) = ( 0.0000000 0.3425926 -0.0000000), wk = 0.0020877 k( 39) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0020877 k( 40) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0020877 k( 41) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0020877 k( 42) = ( 0.0000000 0.3796296 -0.0000000), wk = 0.0020877 k( 43) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0020877 k( 44) = ( 0.0000000 0.3981481 -0.0000000), wk = 0.0020877 k( 45) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0020877 k( 46) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0020877 k( 47) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0020877 k( 48) = ( 0.0000000 0.4351852 -0.0000000), wk = 0.0020877 k( 49) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0020877 k( 50) = ( 0.0000000 0.4537037 -0.0000000), wk = 0.0020877 k( 51) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0020877 k( 52) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0020877 k( 53) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0020877 k( 54) = ( 0.0000000 0.4907407 -0.0000000), wk = 0.0020877 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020877 k( 56) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020877 k( 57) = ( 0.0092593 0.5000000 -0.0000000), wk = 0.0020877 k( 58) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0020877 k( 59) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0020877 k( 60) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0020877 k( 61) = ( 0.0462963 0.5000000 -0.0000000), wk = 0.0020877 k( 62) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0020877 k( 63) = ( 0.0648148 0.5000000 -0.0000000), wk = 0.0020877 k( 64) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0020877 k( 65) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0020877 k( 66) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0020877 k( 67) = ( 0.1018518 0.5000000 -0.0000000), wk = 0.0020877 k( 68) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0020877 k( 69) = ( 0.1203704 0.5000000 -0.0000000), wk = 0.0020877 k( 70) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0020877 k( 71) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0020877 k( 72) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0020877 k( 73) = ( 0.1574074 0.5000000 -0.0000000), wk = 0.0020877 k( 74) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0020877 k( 75) = ( 0.1759259 0.5000000 -0.0000000), wk = 0.0020877 k( 76) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0020877 k( 77) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0020877 k( 78) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0020877 k( 79) = ( 0.2129630 0.5000000 -0.0000000), wk = 0.0020877 k( 80) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0020877 k( 81) = ( 0.2314815 0.5000000 -0.0000000), wk = 0.0020877 k( 82) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0020877 k( 83) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0020877 k( 84) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0020877 k( 85) = ( 0.2685185 0.5000000 -0.0000000), wk = 0.0020877 k( 86) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0020877 k( 87) = ( 0.2870370 0.5000000 -0.0000000), wk = 0.0020877 k( 88) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0020877 k( 89) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0020877 k( 90) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0020877 k( 91) = ( 0.3240741 0.5000000 -0.0000000), wk = 0.0020877 k( 92) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0020877 k( 93) = ( 0.3425926 0.5000000 -0.0000000), wk = 0.0020877 k( 94) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0020877 k( 95) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0020877 k( 96) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0020877 k( 97) = ( 0.3796296 0.5000000 -0.0000000), wk = 0.0020877 k( 98) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0020877 k( 99) = ( 0.3981481 0.5000000 -0.0000000), wk = 0.0020877 k( 100) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0020877 k( 101) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0020877 k( 102) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0020877 k( 103) = ( 0.4351852 0.5000000 -0.0000000), wk = 0.0020877 k( 104) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0020877 k( 105) = ( 0.4537037 0.5000000 -0.0000000), wk = 0.0020877 k( 106) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0020877 k( 107) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0020877 k( 108) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0020877 k( 109) = ( 0.4907407 0.5000000 -0.0000000), wk = 0.0020877 k( 110) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020877 k( 111) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020877 k( 112) = ( 0.4934211 0.4934210 -0.0000000), wk = 0.0020877 k( 113) = ( 0.4868421 0.4868421 -0.0000000), wk = 0.0020877 k( 114) = ( 0.4802632 0.4802632 -0.0000000), wk = 0.0020877 k( 115) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0020877 k( 116) = ( 0.4671053 0.4671053 -0.0000000), wk = 0.0020877 k( 117) = ( 0.4605263 0.4605263 -0.0000000), wk = 0.0020877 k( 118) = ( 0.4539474 0.4539474 -0.0000000), wk = 0.0020877 k( 119) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0020877 k( 120) = ( 0.4407895 0.4407895 -0.0000000), wk = 0.0020877 k( 121) = ( 0.4342105 0.4342105 -0.0000000), wk = 0.0020877 k( 122) = ( 0.4276316 0.4276316 -0.0000000), wk = 0.0020877 k( 123) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0020877 k( 124) = ( 0.4144737 0.4144737 -0.0000000), wk = 0.0020877 k( 125) = ( 0.4078947 0.4078947 -0.0000000), wk = 0.0020877 k( 126) = ( 0.4013158 0.4013158 -0.0000000), wk = 0.0020877 k( 127) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0020877 k( 128) = ( 0.3881579 0.3881579 -0.0000000), wk = 0.0020877 k( 129) = ( 0.3815789 0.3815789 -0.0000000), wk = 0.0020877 k( 130) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0020877 k( 131) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0020877 k( 132) = ( 0.3618421 0.3618421 -0.0000000), wk = 0.0020877 k( 133) = ( 0.3552632 0.3552632 -0.0000000), wk = 0.0020877 k( 134) = ( 0.3486842 0.3486842 -0.0000000), wk = 0.0020877 k( 135) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0020877 k( 136) = ( 0.3355263 0.3355263 -0.0000000), wk = 0.0020877 k( 137) = ( 0.3289474 0.3289474 -0.0000000), wk = 0.0020877 k( 138) = ( 0.3223684 0.3223684 -0.0000000), wk = 0.0020877 k( 139) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0020877 k( 140) = ( 0.3092105 0.3092105 -0.0000000), wk = 0.0020877 k( 141) = ( 0.3026316 0.3026316 -0.0000000), wk = 0.0020877 k( 142) = ( 0.2960526 0.2960526 -0.0000000), wk = 0.0020877 k( 143) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0020877 k( 144) = ( 0.2828947 0.2828947 -0.0000000), wk = 0.0020877 k( 145) = ( 0.2763158 0.2763158 -0.0000000), wk = 0.0020877 k( 146) = ( 0.2697368 0.2697368 -0.0000000), wk = 0.0020877 k( 147) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0020877 k( 148) = ( 0.2565789 0.2565789 -0.0000000), wk = 0.0020877 k( 149) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0020877 k( 150) = ( 0.2434210 0.2434210 -0.0000000), wk = 0.0020877 k( 151) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0020877 k( 152) = ( 0.2302632 0.2302632 -0.0000000), wk = 0.0020877 k( 153) = ( 0.2236842 0.2236842 -0.0000000), wk = 0.0020877 k( 154) = ( 0.2171053 0.2171053 -0.0000000), wk = 0.0020877 k( 155) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0020877 k( 156) = ( 0.2039474 0.2039474 -0.0000000), wk = 0.0020877 k( 157) = ( 0.1973684 0.1973684 -0.0000000), wk = 0.0020877 k( 158) = ( 0.1907895 0.1907895 -0.0000000), wk = 0.0020877 k( 159) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0020877 k( 160) = ( 0.1776316 0.1776316 -0.0000000), wk = 0.0020877 k( 161) = ( 0.1710526 0.1710526 -0.0000000), wk = 0.0020877 k( 162) = ( 0.1644737 0.1644737 -0.0000000), wk = 0.0020877 k( 163) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0020877 k( 164) = ( 0.1513158 0.1513158 -0.0000000), wk = 0.0020877 k( 165) = ( 0.1447368 0.1447368 -0.0000000), wk = 0.0020877 k( 166) = ( 0.1381579 0.1381579 -0.0000000), wk = 0.0020877 k( 167) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0020877 k( 168) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0020877 k( 169) = ( 0.1184210 0.1184210 -0.0000000), wk = 0.0020877 k( 170) = ( 0.1118421 0.1118421 -0.0000000), wk = 0.0020877 k( 171) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0020877 k( 172) = ( 0.0986842 0.0986842 -0.0000000), wk = 0.0020877 k( 173) = ( 0.0921053 0.0921053 -0.0000000), wk = 0.0020877 k( 174) = ( 0.0855263 0.0855263 -0.0000000), wk = 0.0020877 k( 175) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0020877 k( 176) = ( 0.0723684 0.0723684 -0.0000000), wk = 0.0020877 k( 177) = ( 0.0657895 0.0657895 -0.0000000), wk = 0.0020877 k( 178) = ( 0.0592105 0.0592105 -0.0000000), wk = 0.0020877 k( 179) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0020877 k( 180) = ( 0.0460526 0.0460526 -0.0000000), wk = 0.0020877 k( 181) = ( 0.0394737 0.0394737 -0.0000000), wk = 0.0020877 k( 182) = ( 0.0328947 0.0328947 -0.0000000), wk = 0.0020877 k( 183) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0020877 k( 184) = ( 0.0197368 0.0197368 -0.0000000), wk = 0.0020877 k( 185) = ( 0.0131579 0.0131579 -0.0000000), wk = 0.0020877 k( 186) = ( 0.0065790 0.0065789 -0.0000000), wk = 0.0020877 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 189) = ( 0.0000000 0.0000000 0.0092028), wk = 0.0020877 k( 190) = ( 0.0000000 0.0000000 0.0184057), wk = 0.0020877 k( 191) = ( 0.0000000 0.0000000 0.0276085), wk = 0.0020877 k( 192) = ( 0.0000000 0.0000000 0.0368113), wk = 0.0020877 k( 193) = ( 0.0000000 0.0000000 0.0460142), wk = 0.0020877 k( 194) = ( 0.0000000 0.0000000 0.0552170), wk = 0.0020877 k( 195) = ( 0.0000000 0.0000000 0.0644199), wk = 0.0020877 k( 196) = ( 0.0000000 0.0000000 0.0736227), wk = 0.0020877 k( 197) = ( 0.0000000 0.0000000 0.0828255), wk = 0.0020877 k( 198) = ( 0.0000000 0.0000000 0.0920284), wk = 0.0020877 k( 199) = ( 0.0000000 0.0000000 0.1012312), wk = 0.0020877 k( 200) = ( 0.0000000 0.0000000 0.1104340), wk = 0.0020877 k( 201) = ( 0.0000000 0.0000000 0.1196369), wk = 0.0020877 k( 202) = ( 0.0000000 0.0000000 0.1288397), wk = 0.0020877 k( 203) = ( 0.0000000 0.0000000 0.1380425), wk = 0.0020877 k( 204) = ( 0.0000000 0.0000000 0.1472454), wk = 0.0020877 k( 205) = ( 0.0000000 0.0000000 0.1564482), wk = 0.0020877 k( 206) = ( 0.0000000 0.0000000 0.1656510), wk = 0.0020877 k( 207) = ( 0.0000000 0.0000000 0.1748539), wk = 0.0020877 k( 208) = ( 0.0000000 0.0000000 0.1840567), wk = 0.0020877 k( 209) = ( 0.0000000 0.0000000 0.1932595), wk = 0.0020877 k( 210) = ( 0.0000000 0.0000000 0.2024624), wk = 0.0020877 k( 211) = ( 0.0000000 0.0000000 0.2116652), wk = 0.0020877 k( 212) = ( 0.0000000 0.0000000 0.2208681), wk = 0.0020877 k( 213) = ( 0.0000000 0.0000000 0.2300709), wk = 0.0020877 k( 214) = ( 0.0000000 0.0000000 0.2392737), wk = 0.0020877 k( 215) = ( 0.0000000 0.0000000 0.2484766), wk = 0.0020877 k( 216) = ( 0.0000000 0.0000000 0.2576794), wk = 0.0020877 k( 217) = ( 0.0000000 0.0000000 0.2668822), wk = 0.0020877 k( 218) = ( 0.0000000 0.0000000 0.2760851), wk = 0.0020877 k( 219) = ( 0.0000000 0.0000000 0.2852879), wk = 0.0020877 k( 220) = ( 0.0000000 0.0000000 0.2944907), wk = 0.0020877 k( 221) = ( 0.0000000 0.0000000 0.3036936), wk = 0.0020877 k( 222) = ( 0.0000000 0.0000000 0.3128964), wk = 0.0020877 k( 223) = ( 0.0000000 0.0000000 0.3128964), wk = 0.0020877 k( 224) = ( 0.0000000 0.0092593 0.3128964), wk = 0.0020877 k( 225) = ( 0.0000000 0.0185185 0.3128964), wk = 0.0020877 k( 226) = ( 0.0000000 0.0277778 0.3128964), wk = 0.0020877 k( 227) = ( 0.0000000 0.0370370 0.3128964), wk = 0.0020877 k( 228) = ( 0.0000000 0.0462963 0.3128964), wk = 0.0020877 k( 229) = ( 0.0000000 0.0555556 0.3128964), wk = 0.0020877 k( 230) = ( 0.0000000 0.0648148 0.3128964), wk = 0.0020877 k( 231) = ( 0.0000000 0.0740741 0.3128964), wk = 0.0020877 k( 232) = ( 0.0000000 0.0833333 0.3128964), wk = 0.0020877 k( 233) = ( 0.0000000 0.0925926 0.3128964), wk = 0.0020877 k( 234) = ( 0.0000000 0.1018518 0.3128964), wk = 0.0020877 k( 235) = ( 0.0000000 0.1111111 0.3128964), wk = 0.0020877 k( 236) = ( 0.0000000 0.1203704 0.3128964), wk = 0.0020877 k( 237) = ( 0.0000000 0.1296296 0.3128964), wk = 0.0020877 k( 238) = ( 0.0000000 0.1388889 0.3128964), wk = 0.0020877 k( 239) = ( 0.0000000 0.1481482 0.3128964), wk = 0.0020877 k( 240) = ( 0.0000000 0.1574074 0.3128964), wk = 0.0020877 k( 241) = ( 0.0000000 0.1666667 0.3128964), wk = 0.0020877 k( 242) = ( 0.0000000 0.1759259 0.3128964), wk = 0.0020877 k( 243) = ( 0.0000000 0.1851852 0.3128964), wk = 0.0020877 k( 244) = ( 0.0000000 0.1944444 0.3128964), wk = 0.0020877 k( 245) = ( 0.0000000 0.2037037 0.3128964), wk = 0.0020877 k( 246) = ( 0.0000000 0.2129630 0.3128964), wk = 0.0020877 k( 247) = ( 0.0000000 0.2222222 0.3128964), wk = 0.0020877 k( 248) = ( 0.0000000 0.2314815 0.3128964), wk = 0.0020877 k( 249) = ( 0.0000000 0.2407407 0.3128964), wk = 0.0020877 k( 250) = ( 0.0000000 0.2500000 0.3128964), wk = 0.0020877 k( 251) = ( 0.0000000 0.2592593 0.3128964), wk = 0.0020877 k( 252) = ( 0.0000000 0.2685185 0.3128964), wk = 0.0020877 k( 253) = ( 0.0000000 0.2777778 0.3128964), wk = 0.0020877 k( 254) = ( 0.0000000 0.2870370 0.3128964), wk = 0.0020877 k( 255) = ( 0.0000000 0.2962963 0.3128964), wk = 0.0020877 k( 256) = ( 0.0000000 0.3055556 0.3128964), wk = 0.0020877 k( 257) = ( 0.0000000 0.3148148 0.3128964), wk = 0.0020877 k( 258) = ( 0.0000000 0.3240741 0.3128964), wk = 0.0020877 k( 259) = ( 0.0000000 0.3333333 0.3128964), wk = 0.0020877 k( 260) = ( 0.0000000 0.3425926 0.3128964), wk = 0.0020877 k( 261) = ( 0.0000000 0.3518519 0.3128964), wk = 0.0020877 k( 262) = ( 0.0000000 0.3611111 0.3128964), wk = 0.0020877 k( 263) = ( 0.0000000 0.3703704 0.3128964), wk = 0.0020877 k( 264) = ( 0.0000000 0.3796296 0.3128964), wk = 0.0020877 k( 265) = ( 0.0000000 0.3888889 0.3128964), wk = 0.0020877 k( 266) = ( 0.0000000 0.3981481 0.3128964), wk = 0.0020877 k( 267) = ( 0.0000000 0.4074074 0.3128964), wk = 0.0020877 k( 268) = ( 0.0000000 0.4166667 0.3128964), wk = 0.0020877 k( 269) = ( 0.0000000 0.4259259 0.3128964), wk = 0.0020877 k( 270) = ( 0.0000000 0.4351852 0.3128964), wk = 0.0020877 k( 271) = ( 0.0000000 0.4444444 0.3128964), wk = 0.0020877 k( 272) = ( 0.0000000 0.4537037 0.3128964), wk = 0.0020877 k( 273) = ( 0.0000000 0.4629630 0.3128964), wk = 0.0020877 k( 274) = ( 0.0000000 0.4722222 0.3128964), wk = 0.0020877 k( 275) = ( 0.0000000 0.4814815 0.3128964), wk = 0.0020877 k( 276) = ( 0.0000000 0.4907407 0.3128964), wk = 0.0020877 k( 277) = ( 0.0000000 0.5000000 0.3128964), wk = 0.0020877 k( 278) = ( 0.0000000 0.5000000 0.3128964), wk = 0.0020877 k( 279) = ( 0.0092593 0.5000000 0.3128964), wk = 0.0020877 k( 280) = ( 0.0185185 0.5000000 0.3128964), wk = 0.0020877 k( 281) = ( 0.0277778 0.5000000 0.3128964), wk = 0.0020877 k( 282) = ( 0.0370370 0.5000000 0.3128964), wk = 0.0020877 k( 283) = ( 0.0462963 0.5000000 0.3128964), wk = 0.0020877 k( 284) = ( 0.0555556 0.5000000 0.3128964), wk = 0.0020877 k( 285) = ( 0.0648148 0.5000000 0.3128964), wk = 0.0020877 k( 286) = ( 0.0740741 0.5000000 0.3128964), wk = 0.0020877 k( 287) = ( 0.0833333 0.5000000 0.3128964), wk = 0.0020877 k( 288) = ( 0.0925926 0.5000000 0.3128964), wk = 0.0020877 k( 289) = ( 0.1018518 0.5000000 0.3128964), wk = 0.0020877 k( 290) = ( 0.1111111 0.5000000 0.3128964), wk = 0.0020877 k( 291) = ( 0.1203704 0.5000000 0.3128964), wk = 0.0020877 k( 292) = ( 0.1296296 0.5000000 0.3128964), wk = 0.0020877 k( 293) = ( 0.1388889 0.5000000 0.3128964), wk = 0.0020877 k( 294) = ( 0.1481482 0.5000000 0.3128964), wk = 0.0020877 k( 295) = ( 0.1574074 0.5000000 0.3128964), wk = 0.0020877 k( 296) = ( 0.1666667 0.5000000 0.3128964), wk = 0.0020877 k( 297) = ( 0.1759259 0.5000000 0.3128964), wk = 0.0020877 k( 298) = ( 0.1851852 0.5000000 0.3128964), wk = 0.0020877 k( 299) = ( 0.1944444 0.5000000 0.3128964), wk = 0.0020877 k( 300) = ( 0.2037037 0.5000000 0.3128964), wk = 0.0020877 k( 301) = ( 0.2129630 0.5000000 0.3128964), wk = 0.0020877 k( 302) = ( 0.2222222 0.5000000 0.3128964), wk = 0.0020877 k( 303) = ( 0.2314815 0.5000000 0.3128964), wk = 0.0020877 k( 304) = ( 0.2407407 0.5000000 0.3128964), wk = 0.0020877 k( 305) = ( 0.2500000 0.5000000 0.3128964), wk = 0.0020877 k( 306) = ( 0.2592593 0.5000000 0.3128964), wk = 0.0020877 k( 307) = ( 0.2685185 0.5000000 0.3128964), wk = 0.0020877 k( 308) = ( 0.2777778 0.5000000 0.3128964), wk = 0.0020877 k( 309) = ( 0.2870370 0.5000000 0.3128964), wk = 0.0020877 k( 310) = ( 0.2962963 0.5000000 0.3128964), wk = 0.0020877 k( 311) = ( 0.3055556 0.5000000 0.3128964), wk = 0.0020877 k( 312) = ( 0.3148148 0.5000000 0.3128964), wk = 0.0020877 k( 313) = ( 0.3240741 0.5000000 0.3128964), wk = 0.0020877 k( 314) = ( 0.3333333 0.5000000 0.3128964), wk = 0.0020877 k( 315) = ( 0.3425926 0.5000000 0.3128964), wk = 0.0020877 k( 316) = ( 0.3518519 0.5000000 0.3128964), wk = 0.0020877 k( 317) = ( 0.3611111 0.5000000 0.3128964), wk = 0.0020877 k( 318) = ( 0.3703704 0.5000000 0.3128964), wk = 0.0020877 k( 319) = ( 0.3796296 0.5000000 0.3128964), wk = 0.0020877 k( 320) = ( 0.3888889 0.5000000 0.3128964), wk = 0.0020877 k( 321) = ( 0.3981481 0.5000000 0.3128964), wk = 0.0020877 k( 322) = ( 0.4074074 0.5000000 0.3128964), wk = 0.0020877 k( 323) = ( 0.4166667 0.5000000 0.3128964), wk = 0.0020877 k( 324) = ( 0.4259259 0.5000000 0.3128964), wk = 0.0020877 k( 325) = ( 0.4351852 0.5000000 0.3128964), wk = 0.0020877 k( 326) = ( 0.4444444 0.5000000 0.3128964), wk = 0.0020877 k( 327) = ( 0.4537037 0.5000000 0.3128964), wk = 0.0020877 k( 328) = ( 0.4629630 0.5000000 0.3128964), wk = 0.0020877 k( 329) = ( 0.4722222 0.5000000 0.3128964), wk = 0.0020877 k( 330) = ( 0.4814815 0.5000000 0.3128964), wk = 0.0020877 k( 331) = ( 0.4907407 0.5000000 0.3128964), wk = 0.0020877 k( 332) = ( 0.5000000 0.5000000 0.3128964), wk = 0.0020877 k( 333) = ( 0.5000000 0.5000000 0.3128964), wk = 0.0020877 k( 334) = ( 0.4934211 0.4934210 0.3128964), wk = 0.0020877 k( 335) = ( 0.4868421 0.4868421 0.3128964), wk = 0.0020877 k( 336) = ( 0.4802632 0.4802632 0.3128964), wk = 0.0020877 k( 337) = ( 0.4736842 0.4736842 0.3128964), wk = 0.0020877 k( 338) = ( 0.4671053 0.4671053 0.3128964), wk = 0.0020877 k( 339) = ( 0.4605263 0.4605263 0.3128964), wk = 0.0020877 k( 340) = ( 0.4539474 0.4539474 0.3128964), wk = 0.0020877 k( 341) = ( 0.4473684 0.4473684 0.3128964), wk = 0.0020877 k( 342) = ( 0.4407895 0.4407895 0.3128964), wk = 0.0020877 k( 343) = ( 0.4342105 0.4342105 0.3128964), wk = 0.0020877 k( 344) = ( 0.4276316 0.4276316 0.3128964), wk = 0.0020877 k( 345) = ( 0.4210526 0.4210526 0.3128964), wk = 0.0020877 k( 346) = ( 0.4144737 0.4144737 0.3128964), wk = 0.0020877 k( 347) = ( 0.4078947 0.4078947 0.3128964), wk = 0.0020877 k( 348) = ( 0.4013158 0.4013158 0.3128964), wk = 0.0020877 k( 349) = ( 0.3947368 0.3947368 0.3128964), wk = 0.0020877 k( 350) = ( 0.3881579 0.3881579 0.3128964), wk = 0.0020877 k( 351) = ( 0.3815789 0.3815789 0.3128964), wk = 0.0020877 k( 352) = ( 0.3750000 0.3750000 0.3128964), wk = 0.0020877 k( 353) = ( 0.3684211 0.3684210 0.3128964), wk = 0.0020877 k( 354) = ( 0.3618421 0.3618421 0.3128964), wk = 0.0020877 k( 355) = ( 0.3552632 0.3552632 0.3128964), wk = 0.0020877 k( 356) = ( 0.3486842 0.3486842 0.3128964), wk = 0.0020877 k( 357) = ( 0.3421053 0.3421053 0.3128964), wk = 0.0020877 k( 358) = ( 0.3355263 0.3355263 0.3128964), wk = 0.0020877 k( 359) = ( 0.3289474 0.3289474 0.3128964), wk = 0.0020877 k( 360) = ( 0.3223684 0.3223684 0.3128964), wk = 0.0020877 k( 361) = ( 0.3157895 0.3157895 0.3128964), wk = 0.0020877 k( 362) = ( 0.3092105 0.3092105 0.3128964), wk = 0.0020877 k( 363) = ( 0.3026316 0.3026316 0.3128964), wk = 0.0020877 k( 364) = ( 0.2960526 0.2960526 0.3128964), wk = 0.0020877 k( 365) = ( 0.2894737 0.2894737 0.3128964), wk = 0.0020877 k( 366) = ( 0.2828947 0.2828947 0.3128964), wk = 0.0020877 k( 367) = ( 0.2763158 0.2763158 0.3128964), wk = 0.0020877 k( 368) = ( 0.2697368 0.2697368 0.3128964), wk = 0.0020877 k( 369) = ( 0.2631579 0.2631579 0.3128964), wk = 0.0020877 k( 370) = ( 0.2565789 0.2565789 0.3128964), wk = 0.0020877 k( 371) = ( 0.2500000 0.2500000 0.3128964), wk = 0.0020877 k( 372) = ( 0.2434210 0.2434210 0.3128964), wk = 0.0020877 k( 373) = ( 0.2368421 0.2368421 0.3128964), wk = 0.0020877 k( 374) = ( 0.2302632 0.2302632 0.3128964), wk = 0.0020877 k( 375) = ( 0.2236842 0.2236842 0.3128964), wk = 0.0020877 k( 376) = ( 0.2171053 0.2171053 0.3128964), wk = 0.0020877 k( 377) = ( 0.2105263 0.2105263 0.3128964), wk = 0.0020877 k( 378) = ( 0.2039474 0.2039474 0.3128964), wk = 0.0020877 k( 379) = ( 0.1973684 0.1973684 0.3128964), wk = 0.0020877 k( 380) = ( 0.1907895 0.1907895 0.3128964), wk = 0.0020877 k( 381) = ( 0.1842105 0.1842105 0.3128964), wk = 0.0020877 k( 382) = ( 0.1776316 0.1776316 0.3128964), wk = 0.0020877 k( 383) = ( 0.1710526 0.1710526 0.3128964), wk = 0.0020877 k( 384) = ( 0.1644737 0.1644737 0.3128964), wk = 0.0020877 k( 385) = ( 0.1578947 0.1578947 0.3128964), wk = 0.0020877 k( 386) = ( 0.1513158 0.1513158 0.3128964), wk = 0.0020877 k( 387) = ( 0.1447368 0.1447368 0.3128964), wk = 0.0020877 k( 388) = ( 0.1381579 0.1381579 0.3128964), wk = 0.0020877 k( 389) = ( 0.1315790 0.1315790 0.3128964), wk = 0.0020877 k( 390) = ( 0.1250000 0.1250000 0.3128964), wk = 0.0020877 k( 391) = ( 0.1184210 0.1184210 0.3128964), wk = 0.0020877 k( 392) = ( 0.1118421 0.1118421 0.3128964), wk = 0.0020877 k( 393) = ( 0.1052632 0.1052632 0.3128964), wk = 0.0020877 k( 394) = ( 0.0986842 0.0986842 0.3128964), wk = 0.0020877 k( 395) = ( 0.0921053 0.0921053 0.3128964), wk = 0.0020877 k( 396) = ( 0.0855263 0.0855263 0.3128964), wk = 0.0020877 k( 397) = ( 0.0789474 0.0789474 0.3128964), wk = 0.0020877 k( 398) = ( 0.0723684 0.0723684 0.3128964), wk = 0.0020877 k( 399) = ( 0.0657895 0.0657895 0.3128964), wk = 0.0020877 k( 400) = ( 0.0592105 0.0592105 0.3128964), wk = 0.0020877 k( 401) = ( 0.0526316 0.0526316 0.3128964), wk = 0.0020877 k( 402) = ( 0.0460526 0.0460526 0.3128964), wk = 0.0020877 k( 403) = ( 0.0394737 0.0394737 0.3128964), wk = 0.0020877 k( 404) = ( 0.0328947 0.0328947 0.3128964), wk = 0.0020877 k( 405) = ( 0.0263158 0.0263158 0.3128964), wk = 0.0020877 k( 406) = ( 0.0197368 0.0197368 0.3128964), wk = 0.0020877 k( 407) = ( 0.0131579 0.0131579 0.3128964), wk = 0.0020877 k( 408) = ( 0.0065790 0.0065789 0.3128964), wk = 0.0020877 k( 409) = ( 0.0000000 0.0000000 0.3128964), wk = 0.0020877 k( 410) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0020877 k( 411) = ( 0.0000000 0.5000000 0.0092028), wk = 0.0020877 k( 412) = ( 0.0000000 0.5000000 0.0184057), wk = 0.0020877 k( 413) = ( 0.0000000 0.5000000 0.0276085), wk = 0.0020877 k( 414) = ( 0.0000000 0.5000000 0.0368113), wk = 0.0020877 k( 415) = ( 0.0000000 0.5000000 0.0460142), wk = 0.0020877 k( 416) = ( 0.0000000 0.5000000 0.0552170), wk = 0.0020877 k( 417) = ( 0.0000000 0.5000000 0.0644199), wk = 0.0020877 k( 418) = ( 0.0000000 0.5000000 0.0736227), wk = 0.0020877 k( 419) = ( 0.0000000 0.5000000 0.0828255), wk = 0.0020877 k( 420) = ( 0.0000000 0.5000000 0.0920284), wk = 0.0020877 k( 421) = ( 0.0000000 0.5000000 0.1012312), wk = 0.0020877 k( 422) = ( 0.0000000 0.5000000 0.1104340), wk = 0.0020877 k( 423) = ( 0.0000000 0.5000000 0.1196369), wk = 0.0020877 k( 424) = ( 0.0000000 0.5000000 0.1288397), wk = 0.0020877 k( 425) = ( 0.0000000 0.5000000 0.1380425), wk = 0.0020877 k( 426) = ( 0.0000000 0.5000000 0.1472454), wk = 0.0020877 k( 427) = ( 0.0000000 0.5000000 0.1564482), wk = 0.0020877 k( 428) = ( 0.0000000 0.5000000 0.1656510), wk = 0.0020877 k( 429) = ( 0.0000000 0.5000000 0.1748539), wk = 0.0020877 k( 430) = ( 0.0000000 0.5000000 0.1840567), wk = 0.0020877 k( 431) = ( 0.0000000 0.5000000 0.1932595), wk = 0.0020877 k( 432) = ( 0.0000000 0.5000000 0.2024624), wk = 0.0020877 k( 433) = ( 0.0000000 0.5000000 0.2116652), wk = 0.0020877 k( 434) = ( 0.0000000 0.5000000 0.2208681), wk = 0.0020877 k( 435) = ( 0.0000000 0.5000000 0.2300709), wk = 0.0020877 k( 436) = ( 0.0000000 0.5000000 0.2392737), wk = 0.0020877 k( 437) = ( 0.0000000 0.5000000 0.2484766), wk = 0.0020877 k( 438) = ( 0.0000000 0.5000000 0.2576794), wk = 0.0020877 k( 439) = ( 0.0000000 0.5000000 0.2668822), wk = 0.0020877 k( 440) = ( 0.0000000 0.5000000 0.2760851), wk = 0.0020877 k( 441) = ( 0.0000000 0.5000000 0.2852879), wk = 0.0020877 k( 442) = ( 0.0000000 0.5000000 0.2944907), wk = 0.0020877 k( 443) = ( 0.0000000 0.5000000 0.3036936), wk = 0.0020877 k( 444) = ( 0.0000000 0.5000000 0.3128964), wk = 0.0020877 k( 445) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0020877 k( 446) = ( 0.5000000 0.5000000 0.0092028), wk = 0.0020877 k( 447) = ( 0.5000000 0.5000000 0.0184057), wk = 0.0020877 k( 448) = ( 0.5000000 0.5000000 0.0276085), wk = 0.0020877 k( 449) = ( 0.5000000 0.5000000 0.0368113), wk = 0.0020877 k( 450) = ( 0.5000000 0.5000000 0.0460142), wk = 0.0020877 k( 451) = ( 0.5000000 0.5000000 0.0552170), wk = 0.0020877 k( 452) = ( 0.5000000 0.5000000 0.0644199), wk = 0.0020877 k( 453) = ( 0.5000000 0.5000000 0.0736227), wk = 0.0020877 k( 454) = ( 0.5000000 0.5000000 0.0828255), wk = 0.0020877 k( 455) = ( 0.5000000 0.5000000 0.0920284), wk = 0.0020877 k( 456) = ( 0.5000000 0.5000000 0.1012312), wk = 0.0020877 k( 457) = ( 0.5000000 0.5000000 0.1104340), wk = 0.0020877 k( 458) = ( 0.5000000 0.5000000 0.1196369), wk = 0.0020877 k( 459) = ( 0.5000000 0.5000000 0.1288397), wk = 0.0020877 k( 460) = ( 0.5000000 0.5000000 0.1380425), wk = 0.0020877 k( 461) = ( 0.5000000 0.5000000 0.1472454), wk = 0.0020877 k( 462) = ( 0.5000000 0.5000000 0.1564482), wk = 0.0020877 k( 463) = ( 0.5000000 0.5000000 0.1656510), wk = 0.0020877 k( 464) = ( 0.5000000 0.5000000 0.1748539), wk = 0.0020877 k( 465) = ( 0.5000000 0.5000000 0.1840567), wk = 0.0020877 k( 466) = ( 0.5000000 0.5000000 0.1932595), wk = 0.0020877 k( 467) = ( 0.5000000 0.5000000 0.2024624), wk = 0.0020877 k( 468) = ( 0.5000000 0.5000000 0.2116652), wk = 0.0020877 k( 469) = ( 0.5000000 0.5000000 0.2208681), wk = 0.0020877 k( 470) = ( 0.5000000 0.5000000 0.2300709), wk = 0.0020877 k( 471) = ( 0.5000000 0.5000000 0.2392737), wk = 0.0020877 k( 472) = ( 0.5000000 0.5000000 0.2484766), wk = 0.0020877 k( 473) = ( 0.5000000 0.5000000 0.2576794), wk = 0.0020877 k( 474) = ( 0.5000000 0.5000000 0.2668822), wk = 0.0020877 k( 475) = ( 0.5000000 0.5000000 0.2760851), wk = 0.0020877 k( 476) = ( 0.5000000 0.5000000 0.2852879), wk = 0.0020877 k( 477) = ( 0.5000000 0.5000000 0.2944907), wk = 0.0020877 k( 478) = ( 0.5000000 0.5000000 0.3036936), wk = 0.0020877 k( 479) = ( 0.5000000 0.5000000 0.3128964), wk = 0.0020877 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 2) = ( 0.0000000 0.0092593 0.0000000), wk = 0.0020877 k( 3) = ( 0.0000000 0.0185185 0.0000000), wk = 0.0020877 k( 4) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0020877 k( 5) = ( 0.0000000 0.0370370 0.0000000), wk = 0.0020877 k( 6) = ( 0.0000000 0.0462963 0.0000000), wk = 0.0020877 k( 7) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0020877 k( 8) = ( 0.0000000 0.0648148 -0.0000000), wk = 0.0020877 k( 9) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0020877 k( 10) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0020877 k( 11) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0020877 k( 12) = ( 0.0000000 0.1018518 -0.0000000), wk = 0.0020877 k( 13) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0020877 k( 14) = ( 0.0000000 0.1203704 -0.0000000), wk = 0.0020877 k( 15) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0020877 k( 16) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0020877 k( 17) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0020877 k( 18) = ( 0.0000000 0.1574074 -0.0000000), wk = 0.0020877 k( 19) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0020877 k( 20) = ( 0.0000000 0.1759259 -0.0000000), wk = 0.0020877 k( 21) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0020877 k( 22) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0020877 k( 23) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0020877 k( 24) = ( 0.0000000 0.2129630 0.0000000), wk = 0.0020877 k( 25) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0020877 k( 26) = ( 0.0000000 0.2314815 -0.0000000), wk = 0.0020877 k( 27) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0020877 k( 28) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0020877 k( 29) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0020877 k( 30) = ( 0.0000000 0.2685185 0.0000000), wk = 0.0020877 k( 31) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0020877 k( 32) = ( 0.0000000 0.2870370 -0.0000000), wk = 0.0020877 k( 33) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0020877 k( 34) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0020877 k( 35) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0020877 k( 36) = ( 0.0000000 0.3240741 0.0000000), wk = 0.0020877 k( 37) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0020877 k( 38) = ( 0.0000000 0.3425926 0.0000000), wk = 0.0020877 k( 39) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0020877 k( 40) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0020877 k( 41) = ( 0.0000000 0.3703704 0.0000000), wk = 0.0020877 k( 42) = ( 0.0000000 0.3796296 0.0000000), wk = 0.0020877 k( 43) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0020877 k( 44) = ( 0.0000000 0.3981481 0.0000000), wk = 0.0020877 k( 45) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0020877 k( 46) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0020877 k( 47) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0020877 k( 48) = ( 0.0000000 0.4351852 -0.0000000), wk = 0.0020877 k( 49) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0020877 k( 50) = ( 0.0000000 0.4537037 -0.0000000), wk = 0.0020877 k( 51) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0020877 k( 52) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0020877 k( 53) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0020877 k( 54) = ( 0.0000000 0.4907407 0.0000000), wk = 0.0020877 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020877 k( 56) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020877 k( 57) = ( 0.0092593 0.5000000 0.0000000), wk = 0.0020877 k( 58) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0020877 k( 59) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0020877 k( 60) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0020877 k( 61) = ( 0.0462963 0.5000000 0.0000000), wk = 0.0020877 k( 62) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0020877 k( 63) = ( 0.0648148 0.5000000 0.0000000), wk = 0.0020877 k( 64) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0020877 k( 65) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0020877 k( 66) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0020877 k( 67) = ( 0.1018518 0.5000000 0.0000000), wk = 0.0020877 k( 68) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0020877 k( 69) = ( 0.1203704 0.5000000 0.0000000), wk = 0.0020877 k( 70) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0020877 k( 71) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0020877 k( 72) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0020877 k( 73) = ( 0.1574074 0.5000000 0.0000000), wk = 0.0020877 k( 74) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0020877 k( 75) = ( 0.1759259 0.5000000 0.0000000), wk = 0.0020877 k( 76) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0020877 k( 77) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0020877 k( 78) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0020877 k( 79) = ( 0.2129630 0.5000000 -0.0000000), wk = 0.0020877 k( 80) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0020877 k( 81) = ( 0.2314815 0.5000000 0.0000000), wk = 0.0020877 k( 82) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0020877 k( 83) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0020877 k( 84) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0020877 k( 85) = ( 0.2685185 0.5000000 0.0000000), wk = 0.0020877 k( 86) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0020877 k( 87) = ( 0.2870370 0.5000000 -0.0000000), wk = 0.0020877 k( 88) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0020877 k( 89) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0020877 k( 90) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0020877 k( 91) = ( 0.3240741 0.5000000 -0.0000000), wk = 0.0020877 k( 92) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0020877 k( 93) = ( 0.3425926 0.5000000 -0.0000000), wk = 0.0020877 k( 94) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0020877 k( 95) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0020877 k( 96) = ( 0.3703704 0.5000000 0.0000000), wk = 0.0020877 k( 97) = ( 0.3796296 0.5000000 -0.0000000), wk = 0.0020877 k( 98) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0020877 k( 99) = ( 0.3981481 0.5000000 0.0000000), wk = 0.0020877 k( 100) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0020877 k( 101) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0020877 k( 102) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0020877 k( 103) = ( 0.4351852 0.5000000 -0.0000000), wk = 0.0020877 k( 104) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0020877 k( 105) = ( 0.4537037 0.5000000 0.0000000), wk = 0.0020877 k( 106) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0020877 k( 107) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0020877 k( 108) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0020877 k( 109) = ( 0.4907407 0.5000000 -0.0000000), wk = 0.0020877 k( 110) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020877 k( 111) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020877 k( 112) = ( 0.4934211 0.4934211 0.0000000), wk = 0.0020877 k( 113) = ( 0.4868421 0.4868421 0.0000000), wk = 0.0020877 k( 114) = ( 0.4802632 0.4802632 0.0000000), wk = 0.0020877 k( 115) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0020877 k( 116) = ( 0.4671053 0.4671053 0.0000000), wk = 0.0020877 k( 117) = ( 0.4605263 0.4605263 0.0000000), wk = 0.0020877 k( 118) = ( 0.4539474 0.4539474 -0.0000000), wk = 0.0020877 k( 119) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0020877 k( 120) = ( 0.4407895 0.4407895 0.0000000), wk = 0.0020877 k( 121) = ( 0.4342105 0.4342105 0.0000000), wk = 0.0020877 k( 122) = ( 0.4276316 0.4276316 0.0000000), wk = 0.0020877 k( 123) = ( 0.4210526 0.4210526 0.0000000), wk = 0.0020877 k( 124) = ( 0.4144737 0.4144737 -0.0000000), wk = 0.0020877 k( 125) = ( 0.4078947 0.4078947 0.0000000), wk = 0.0020877 k( 126) = ( 0.4013158 0.4013158 0.0000000), wk = 0.0020877 k( 127) = ( 0.3947368 0.3947368 0.0000000), wk = 0.0020877 k( 128) = ( 0.3881579 0.3881579 0.0000000), wk = 0.0020877 k( 129) = ( 0.3815789 0.3815789 0.0000000), wk = 0.0020877 k( 130) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0020877 k( 131) = ( 0.3684211 0.3684211 0.0000000), wk = 0.0020877 k( 132) = ( 0.3618421 0.3618421 0.0000000), wk = 0.0020877 k( 133) = ( 0.3552632 0.3552632 -0.0000000), wk = 0.0020877 k( 134) = ( 0.3486842 0.3486842 -0.0000000), wk = 0.0020877 k( 135) = ( 0.3421053 0.3421053 0.0000000), wk = 0.0020877 k( 136) = ( 0.3355263 0.3355263 -0.0000000), wk = 0.0020877 k( 137) = ( 0.3289474 0.3289474 0.0000000), wk = 0.0020877 k( 138) = ( 0.3223684 0.3223684 0.0000000), wk = 0.0020877 k( 139) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0020877 k( 140) = ( 0.3092105 0.3092105 0.0000000), wk = 0.0020877 k( 141) = ( 0.3026316 0.3026316 -0.0000000), wk = 0.0020877 k( 142) = ( 0.2960526 0.2960526 -0.0000000), wk = 0.0020877 k( 143) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0020877 k( 144) = ( 0.2828947 0.2828947 -0.0000000), wk = 0.0020877 k( 145) = ( 0.2763158 0.2763158 0.0000000), wk = 0.0020877 k( 146) = ( 0.2697368 0.2697368 0.0000000), wk = 0.0020877 k( 147) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0020877 k( 148) = ( 0.2565789 0.2565789 0.0000000), wk = 0.0020877 k( 149) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0020877 k( 150) = ( 0.2434210 0.2434210 0.0000000), wk = 0.0020877 k( 151) = ( 0.2368421 0.2368421 0.0000000), wk = 0.0020877 k( 152) = ( 0.2302632 0.2302632 0.0000000), wk = 0.0020877 k( 153) = ( 0.2236842 0.2236842 0.0000000), wk = 0.0020877 k( 154) = ( 0.2171053 0.2171053 0.0000000), wk = 0.0020877 k( 155) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0020877 k( 156) = ( 0.2039474 0.2039474 0.0000000), wk = 0.0020877 k( 157) = ( 0.1973684 0.1973684 0.0000000), wk = 0.0020877 k( 158) = ( 0.1907895 0.1907895 0.0000000), wk = 0.0020877 k( 159) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0020877 k( 160) = ( 0.1776316 0.1776316 -0.0000000), wk = 0.0020877 k( 161) = ( 0.1710526 0.1710526 0.0000000), wk = 0.0020877 k( 162) = ( 0.1644737 0.1644737 0.0000000), wk = 0.0020877 k( 163) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0020877 k( 164) = ( 0.1513158 0.1513158 -0.0000000), wk = 0.0020877 k( 165) = ( 0.1447368 0.1447368 -0.0000000), wk = 0.0020877 k( 166) = ( 0.1381579 0.1381579 -0.0000000), wk = 0.0020877 k( 167) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0020877 k( 168) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0020877 k( 169) = ( 0.1184210 0.1184210 0.0000000), wk = 0.0020877 k( 170) = ( 0.1118421 0.1118421 0.0000000), wk = 0.0020877 k( 171) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0020877 k( 172) = ( 0.0986842 0.0986842 0.0000000), wk = 0.0020877 k( 173) = ( 0.0921053 0.0921053 -0.0000000), wk = 0.0020877 k( 174) = ( 0.0855263 0.0855263 0.0000000), wk = 0.0020877 k( 175) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0020877 k( 176) = ( 0.0723684 0.0723684 -0.0000000), wk = 0.0020877 k( 177) = ( 0.0657895 0.0657895 0.0000000), wk = 0.0020877 k( 178) = ( 0.0592105 0.0592105 -0.0000000), wk = 0.0020877 k( 179) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0020877 k( 180) = ( 0.0460526 0.0460526 -0.0000000), wk = 0.0020877 k( 181) = ( 0.0394737 0.0394737 0.0000000), wk = 0.0020877 k( 182) = ( 0.0328947 0.0328947 0.0000000), wk = 0.0020877 k( 183) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0020877 k( 184) = ( 0.0197368 0.0197368 0.0000000), wk = 0.0020877 k( 185) = ( 0.0131579 0.0131579 0.0000000), wk = 0.0020877 k( 186) = ( 0.0065790 0.0065790 0.0000000), wk = 0.0020877 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 189) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0020877 k( 190) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0020877 k( 191) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0020877 k( 192) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0020877 k( 193) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0020877 k( 194) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0020877 k( 195) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0020877 k( 196) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0020877 k( 197) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0020877 k( 198) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0020877 k( 199) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0020877 k( 200) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0020877 k( 201) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0020877 k( 202) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0020877 k( 203) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0020877 k( 204) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0020877 k( 205) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020877 k( 206) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0020877 k( 207) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0020877 k( 208) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0020877 k( 209) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0020877 k( 210) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0020877 k( 211) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0020877 k( 212) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0020877 k( 213) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0020877 k( 214) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0020877 k( 215) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0020877 k( 216) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0020877 k( 217) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0020877 k( 218) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0020877 k( 219) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0020877 k( 220) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0020877 k( 221) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0020877 k( 222) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020877 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020877 k( 224) = ( 0.0000000 0.0092593 0.5000000), wk = 0.0020877 k( 225) = ( 0.0000000 0.0185185 0.5000000), wk = 0.0020877 k( 226) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0020877 k( 227) = ( 0.0000000 0.0370370 0.5000000), wk = 0.0020877 k( 228) = ( 0.0000000 0.0462963 0.5000000), wk = 0.0020877 k( 229) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0020877 k( 230) = ( 0.0000000 0.0648148 0.5000000), wk = 0.0020877 k( 231) = ( 0.0000000 0.0740741 0.5000000), wk = 0.0020877 k( 232) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0020877 k( 233) = ( 0.0000000 0.0925926 0.5000000), wk = 0.0020877 k( 234) = ( 0.0000000 0.1018518 0.5000000), wk = 0.0020877 k( 235) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0020877 k( 236) = ( 0.0000000 0.1203704 0.5000000), wk = 0.0020877 k( 237) = ( 0.0000000 0.1296296 0.5000000), wk = 0.0020877 k( 238) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0020877 k( 239) = ( 0.0000000 0.1481482 0.5000000), wk = 0.0020877 k( 240) = ( 0.0000000 0.1574074 0.5000000), wk = 0.0020877 k( 241) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0020877 k( 242) = ( 0.0000000 0.1759259 0.5000000), wk = 0.0020877 k( 243) = ( 0.0000000 0.1851852 0.5000000), wk = 0.0020877 k( 244) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0020877 k( 245) = ( 0.0000000 0.2037037 0.5000000), wk = 0.0020877 k( 246) = ( 0.0000000 0.2129630 0.5000000), wk = 0.0020877 k( 247) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0020877 k( 248) = ( 0.0000000 0.2314815 0.5000000), wk = 0.0020877 k( 249) = ( 0.0000000 0.2407407 0.5000000), wk = 0.0020877 k( 250) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0020877 k( 251) = ( 0.0000000 0.2592593 0.5000000), wk = 0.0020877 k( 252) = ( 0.0000000 0.2685185 0.5000000), wk = 0.0020877 k( 253) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0020877 k( 254) = ( 0.0000000 0.2870370 0.5000000), wk = 0.0020877 k( 255) = ( 0.0000000 0.2962963 0.5000000), wk = 0.0020877 k( 256) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0020877 k( 257) = ( 0.0000000 0.3148148 0.5000000), wk = 0.0020877 k( 258) = ( 0.0000000 0.3240741 0.5000000), wk = 0.0020877 k( 259) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0020877 k( 260) = ( 0.0000000 0.3425926 0.5000000), wk = 0.0020877 k( 261) = ( 0.0000000 0.3518519 0.5000000), wk = 0.0020877 k( 262) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0020877 k( 263) = ( 0.0000000 0.3703704 0.5000000), wk = 0.0020877 k( 264) = ( 0.0000000 0.3796296 0.5000000), wk = 0.0020877 k( 265) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0020877 k( 266) = ( 0.0000000 0.3981481 0.5000000), wk = 0.0020877 k( 267) = ( 0.0000000 0.4074074 0.5000000), wk = 0.0020877 k( 268) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0020877 k( 269) = ( 0.0000000 0.4259259 0.5000000), wk = 0.0020877 k( 270) = ( 0.0000000 0.4351852 0.5000000), wk = 0.0020877 k( 271) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0020877 k( 272) = ( 0.0000000 0.4537037 0.5000000), wk = 0.0020877 k( 273) = ( 0.0000000 0.4629630 0.5000000), wk = 0.0020877 k( 274) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0020877 k( 275) = ( 0.0000000 0.4814815 0.5000000), wk = 0.0020877 k( 276) = ( 0.0000000 0.4907407 0.5000000), wk = 0.0020877 k( 277) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020877 k( 278) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020877 k( 279) = ( 0.0092593 0.5000000 0.5000000), wk = 0.0020877 k( 280) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0020877 k( 281) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0020877 k( 282) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0020877 k( 283) = ( 0.0462963 0.5000000 0.5000000), wk = 0.0020877 k( 284) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0020877 k( 285) = ( 0.0648148 0.5000000 0.5000000), wk = 0.0020877 k( 286) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0020877 k( 287) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0020877 k( 288) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0020877 k( 289) = ( 0.1018518 0.5000000 0.5000000), wk = 0.0020877 k( 290) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0020877 k( 291) = ( 0.1203704 0.5000000 0.5000000), wk = 0.0020877 k( 292) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0020877 k( 293) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0020877 k( 294) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0020877 k( 295) = ( 0.1574074 0.5000000 0.5000000), wk = 0.0020877 k( 296) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0020877 k( 297) = ( 0.1759259 0.5000000 0.5000000), wk = 0.0020877 k( 298) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0020877 k( 299) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0020877 k( 300) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0020877 k( 301) = ( 0.2129630 0.5000000 0.5000000), wk = 0.0020877 k( 302) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0020877 k( 303) = ( 0.2314815 0.5000000 0.5000000), wk = 0.0020877 k( 304) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0020877 k( 305) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0020877 k( 306) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0020877 k( 307) = ( 0.2685185 0.5000000 0.5000000), wk = 0.0020877 k( 308) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0020877 k( 309) = ( 0.2870370 0.5000000 0.5000000), wk = 0.0020877 k( 310) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0020877 k( 311) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0020877 k( 312) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0020877 k( 313) = ( 0.3240741 0.5000000 0.5000000), wk = 0.0020877 k( 314) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0020877 k( 315) = ( 0.3425926 0.5000000 0.5000000), wk = 0.0020877 k( 316) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0020877 k( 317) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0020877 k( 318) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0020877 k( 319) = ( 0.3796296 0.5000000 0.5000000), wk = 0.0020877 k( 320) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0020877 k( 321) = ( 0.3981481 0.5000000 0.5000000), wk = 0.0020877 k( 322) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0020877 k( 323) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0020877 k( 324) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0020877 k( 325) = ( 0.4351852 0.5000000 0.5000000), wk = 0.0020877 k( 326) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0020877 k( 327) = ( 0.4537037 0.5000000 0.5000000), wk = 0.0020877 k( 328) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0020877 k( 329) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0020877 k( 330) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0020877 k( 331) = ( 0.4907407 0.5000000 0.5000000), wk = 0.0020877 k( 332) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020877 k( 333) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020877 k( 334) = ( 0.4934211 0.4934211 0.5000000), wk = 0.0020877 k( 335) = ( 0.4868421 0.4868421 0.5000000), wk = 0.0020877 k( 336) = ( 0.4802632 0.4802632 0.5000000), wk = 0.0020877 k( 337) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0020877 k( 338) = ( 0.4671053 0.4671053 0.5000000), wk = 0.0020877 k( 339) = ( 0.4605263 0.4605263 0.5000000), wk = 0.0020877 k( 340) = ( 0.4539474 0.4539474 0.5000000), wk = 0.0020877 k( 341) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0020877 k( 342) = ( 0.4407895 0.4407895 0.5000000), wk = 0.0020877 k( 343) = ( 0.4342105 0.4342105 0.5000000), wk = 0.0020877 k( 344) = ( 0.4276316 0.4276316 0.5000000), wk = 0.0020877 k( 345) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0020877 k( 346) = ( 0.4144737 0.4144737 0.5000000), wk = 0.0020877 k( 347) = ( 0.4078947 0.4078947 0.5000000), wk = 0.0020877 k( 348) = ( 0.4013158 0.4013158 0.5000000), wk = 0.0020877 k( 349) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0020877 k( 350) = ( 0.3881579 0.3881579 0.5000000), wk = 0.0020877 k( 351) = ( 0.3815789 0.3815789 0.5000000), wk = 0.0020877 k( 352) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0020877 k( 353) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0020877 k( 354) = ( 0.3618421 0.3618421 0.5000000), wk = 0.0020877 k( 355) = ( 0.3552632 0.3552632 0.5000000), wk = 0.0020877 k( 356) = ( 0.3486842 0.3486842 0.5000000), wk = 0.0020877 k( 357) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0020877 k( 358) = ( 0.3355263 0.3355263 0.5000000), wk = 0.0020877 k( 359) = ( 0.3289474 0.3289474 0.5000000), wk = 0.0020877 k( 360) = ( 0.3223684 0.3223684 0.5000000), wk = 0.0020877 k( 361) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0020877 k( 362) = ( 0.3092105 0.3092105 0.5000000), wk = 0.0020877 k( 363) = ( 0.3026316 0.3026316 0.5000000), wk = 0.0020877 k( 364) = ( 0.2960526 0.2960526 0.5000000), wk = 0.0020877 k( 365) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0020877 k( 366) = ( 0.2828947 0.2828947 0.5000000), wk = 0.0020877 k( 367) = ( 0.2763158 0.2763158 0.5000000), wk = 0.0020877 k( 368) = ( 0.2697368 0.2697368 0.5000000), wk = 0.0020877 k( 369) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0020877 k( 370) = ( 0.2565789 0.2565789 0.5000000), wk = 0.0020877 k( 371) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020877 k( 372) = ( 0.2434210 0.2434210 0.5000000), wk = 0.0020877 k( 373) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0020877 k( 374) = ( 0.2302632 0.2302632 0.5000000), wk = 0.0020877 k( 375) = ( 0.2236842 0.2236842 0.5000000), wk = 0.0020877 k( 376) = ( 0.2171053 0.2171053 0.5000000), wk = 0.0020877 k( 377) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0020877 k( 378) = ( 0.2039474 0.2039474 0.5000000), wk = 0.0020877 k( 379) = ( 0.1973684 0.1973684 0.5000000), wk = 0.0020877 k( 380) = ( 0.1907895 0.1907895 0.5000000), wk = 0.0020877 k( 381) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0020877 k( 382) = ( 0.1776316 0.1776316 0.5000000), wk = 0.0020877 k( 383) = ( 0.1710526 0.1710526 0.5000000), wk = 0.0020877 k( 384) = ( 0.1644737 0.1644737 0.5000000), wk = 0.0020877 k( 385) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0020877 k( 386) = ( 0.1513158 0.1513158 0.5000000), wk = 0.0020877 k( 387) = ( 0.1447368 0.1447368 0.5000000), wk = 0.0020877 k( 388) = ( 0.1381579 0.1381579 0.5000000), wk = 0.0020877 k( 389) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0020877 k( 390) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0020877 k( 391) = ( 0.1184210 0.1184210 0.5000000), wk = 0.0020877 k( 392) = ( 0.1118421 0.1118421 0.5000000), wk = 0.0020877 k( 393) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0020877 k( 394) = ( 0.0986842 0.0986842 0.5000000), wk = 0.0020877 k( 395) = ( 0.0921053 0.0921053 0.5000000), wk = 0.0020877 k( 396) = ( 0.0855263 0.0855263 0.5000000), wk = 0.0020877 k( 397) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0020877 k( 398) = ( 0.0723684 0.0723684 0.5000000), wk = 0.0020877 k( 399) = ( 0.0657895 0.0657895 0.5000000), wk = 0.0020877 k( 400) = ( 0.0592105 0.0592105 0.5000000), wk = 0.0020877 k( 401) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0020877 k( 402) = ( 0.0460526 0.0460526 0.5000000), wk = 0.0020877 k( 403) = ( 0.0394737 0.0394737 0.5000000), wk = 0.0020877 k( 404) = ( 0.0328947 0.0328947 0.5000000), wk = 0.0020877 k( 405) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0020877 k( 406) = ( 0.0197368 0.0197368 0.5000000), wk = 0.0020877 k( 407) = ( 0.0131579 0.0131579 0.5000000), wk = 0.0020877 k( 408) = ( 0.0065790 0.0065790 0.5000000), wk = 0.0020877 k( 409) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020877 k( 410) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020877 k( 411) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0020877 k( 412) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0020877 k( 413) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0020877 k( 414) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0020877 k( 415) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0020877 k( 416) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0020877 k( 417) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0020877 k( 418) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0020877 k( 419) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0020877 k( 420) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0020877 k( 421) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0020877 k( 422) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0020877 k( 423) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0020877 k( 424) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0020877 k( 425) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0020877 k( 426) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0020877 k( 427) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020877 k( 428) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0020877 k( 429) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0020877 k( 430) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0020877 k( 431) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0020877 k( 432) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0020877 k( 433) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0020877 k( 434) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0020877 k( 435) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0020877 k( 436) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0020877 k( 437) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0020877 k( 438) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0020877 k( 439) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0020877 k( 440) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0020877 k( 441) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0020877 k( 442) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0020877 k( 443) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0020877 k( 444) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020877 k( 445) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020877 k( 446) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0020877 k( 447) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0020877 k( 448) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0020877 k( 449) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0020877 k( 450) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0020877 k( 451) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0020877 k( 452) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0020877 k( 453) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0020877 k( 454) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0020877 k( 455) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0020877 k( 456) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0020877 k( 457) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0020877 k( 458) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0020877 k( 459) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0020877 k( 460) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0020877 k( 461) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0020877 k( 462) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0020877 k( 463) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0020877 k( 464) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0020877 k( 465) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0020877 k( 466) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0020877 k( 467) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0020877 k( 468) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0020877 k( 469) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0020877 k( 470) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0020877 k( 471) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0020877 k( 472) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0020877 k( 473) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0020877 k( 474) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0020877 k( 475) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0020877 k( 476) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0020877 k( 477) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0020877 k( 478) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0020877 k( 479) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020877 Dense grid: 17363 G-vectors FFT dimensions: ( 27, 27, 45) Smooth grid: 11743 G-vectors FFT dimensions: ( 25, 25, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 104, 22) NL pseudopotentials 0.04 Mb ( 52, 48) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.00 Mb ( 480) G-vector shells 0.00 Mb ( 235) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 104, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.03 Mb ( 48, 2, 22) The potential is recalculated from file : ./FeSe.save/charge-density.dat Starting wfc are 26 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 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.6 secs Computing kpt #: 12 total cpu time spent up to now is 2.7 secs Computing kpt #: 13 total cpu time spent up to now is 2.8 secs Computing kpt #: 14 total cpu time spent up to now is 2.9 secs Computing kpt #: 15 total cpu time spent up to now is 3.0 secs Computing kpt #: 16 total cpu time spent up to now is 3.1 secs Computing kpt #: 17 total cpu time spent up to now is 3.2 secs Computing kpt #: 18 total cpu time spent up to now is 3.4 secs Computing kpt #: 19 total cpu time spent up to now is 3.5 secs Computing kpt #: 20 total cpu time spent up to now is 3.6 secs Computing kpt #: 21 total cpu time spent up to now is 3.7 secs Computing kpt #: 22 total cpu time spent up to now is 3.8 secs Computing kpt #: 23 total cpu time spent up to now is 3.8 secs Computing kpt #: 24 total cpu time spent up to now is 3.9 secs Computing kpt #: 25 total cpu time spent up to now is 4.0 secs Computing kpt #: 26 total cpu time spent up to now is 4.1 secs Computing kpt #: 27 total cpu time spent up to now is 4.2 secs Computing kpt #: 28 total cpu time spent up to now is 4.2 secs Computing kpt #: 29 total cpu time spent up to now is 4.3 secs Computing kpt #: 30 total cpu time spent up to now is 4.4 secs Computing kpt #: 31 total cpu time spent up to now is 4.5 secs Computing kpt #: 32 total cpu time spent up to now is 4.5 secs Computing kpt #: 33 total cpu time spent up to now is 4.6 secs Computing kpt #: 34 total cpu time spent up to now is 4.7 secs Computing kpt #: 35 total cpu time spent up to now is 4.8 secs Computing kpt #: 36 total cpu time spent up to now is 4.9 secs Computing kpt #: 37 total cpu time spent up to now is 5.0 secs Computing kpt #: 38 total cpu time spent up to now is 5.0 secs Computing kpt #: 39 total cpu time spent up to now is 5.1 secs Computing kpt #: 40 total cpu time spent up to now is 5.2 secs Computing kpt #: 41 total cpu time spent up to now is 5.3 secs Computing kpt #: 42 total cpu time spent up to now is 5.4 secs Computing kpt #: 43 total cpu time spent up to now is 5.5 secs Computing kpt #: 44 total cpu time spent up to now is 5.6 secs Computing kpt #: 45 total cpu time spent up to now is 5.7 secs Computing kpt #: 46 total cpu time spent up to now is 5.8 secs Computing kpt #: 47 total cpu time spent up to now is 5.8 secs Computing kpt #: 48 total cpu time spent up to now is 5.9 secs Computing kpt #: 49 total cpu time spent up to now is 6.0 secs Computing kpt #: 50 total cpu time spent up to now is 6.1 secs Computing kpt #: 51 total cpu time spent up to now is 6.2 secs Computing kpt #: 52 total cpu time spent up to now is 6.3 secs Computing kpt #: 53 total cpu time spent up to now is 6.4 secs Computing kpt #: 54 total cpu time spent up to now is 6.5 secs Computing kpt #: 55 total cpu time spent up to now is 6.5 secs Computing kpt #: 56 total cpu time spent up to now is 6.6 secs Computing kpt #: 57 total cpu time spent up to now is 6.7 secs Computing kpt #: 58 total cpu time spent up to now is 6.8 secs Computing kpt #: 59 total cpu time spent up to now is 6.8 secs Computing kpt #: 60 total cpu time spent up to now is 6.9 secs Computing kpt #: 61 total cpu time spent up to now is 7.0 secs Computing kpt #: 62 total cpu time spent up to now is 7.1 secs Computing kpt #: 63 total cpu time spent up to now is 7.2 secs Computing kpt #: 64 total cpu time spent up to now is 7.3 secs Computing kpt #: 65 total cpu time spent up to now is 7.4 secs Computing kpt #: 66 total cpu time spent up to now is 7.5 secs Computing kpt #: 67 total cpu time spent up to now is 7.6 secs Computing kpt #: 68 total cpu time spent up to now is 7.7 secs Computing kpt #: 69 total cpu time spent up to now is 7.8 secs Computing kpt #: 70 total cpu time spent up to now is 7.9 secs Computing kpt #: 71 total cpu time spent up to now is 8.0 secs Computing kpt #: 72 total cpu time spent up to now is 8.1 secs Computing kpt #: 73 total cpu time spent up to now is 8.1 secs Computing kpt #: 74 total cpu time spent up to now is 8.2 secs Computing kpt #: 75 total cpu time spent up to now is 8.3 secs Computing kpt #: 76 total cpu time spent up to now is 8.4 secs Computing kpt #: 77 total cpu time spent up to now is 8.4 secs Computing kpt #: 78 total cpu time spent up to now is 8.5 secs Computing kpt #: 79 total cpu time spent up to now is 8.6 secs Computing kpt #: 80 total cpu time spent up to now is 8.6 secs Computing kpt #: 81 total cpu time spent up to now is 8.7 secs Computing kpt #: 82 total cpu time spent up to now is 8.8 secs Computing kpt #: 83 total cpu time spent up to now is 8.9 secs Computing kpt #: 84 total cpu time spent up to now is 8.9 secs Computing kpt #: 85 total cpu time spent up to now is 9.0 secs Computing kpt #: 86 total cpu time spent up to now is 9.1 secs Computing kpt #: 87 total cpu time spent up to now is 9.1 secs Computing kpt #: 88 total cpu time spent up to now is 9.2 secs Computing kpt #: 89 total cpu time spent up to now is 9.3 secs Computing kpt #: 90 total cpu time spent up to now is 9.4 secs Computing kpt #: 91 total cpu time spent up to now is 9.4 secs Computing kpt #: 92 total cpu time spent up to now is 9.5 secs Computing kpt #: 93 total cpu time spent up to now is 9.6 secs Computing kpt #: 94 total cpu time spent up to now is 9.7 secs Computing kpt #: 95 total cpu time spent up to now is 9.8 secs Computing kpt #: 96 total cpu time spent up to now is 9.8 secs Computing kpt #: 97 total cpu time spent up to now is 9.9 secs Computing kpt #: 98 total cpu time spent up to now is 10.0 secs Computing kpt #: 99 total cpu time spent up to now is 10.1 secs Computing kpt #: 100 total cpu time spent up to now is 10.2 secs Computing kpt #: 101 total cpu time spent up to now is 10.2 secs Computing kpt #: 102 total cpu time spent up to now is 10.3 secs Computing kpt #: 103 total cpu time spent up to now is 10.4 secs Computing kpt #: 104 total cpu time spent up to now is 10.5 secs Computing kpt #: 105 total cpu time spent up to now is 10.6 secs Computing kpt #: 106 total cpu time spent up to now is 10.7 secs Computing kpt #: 107 total cpu time spent up to now is 10.8 secs Computing kpt #: 108 total cpu time spent up to now is 10.9 secs Computing kpt #: 109 total cpu time spent up to now is 11.0 secs Computing kpt #: 110 total cpu time spent up to now is 11.1 secs Computing kpt #: 111 total cpu time spent up to now is 11.2 secs Computing kpt #: 112 total cpu time spent up to now is 11.3 secs Computing kpt #: 113 total cpu time spent up to now is 11.4 secs Computing kpt #: 114 total cpu time spent up to now is 11.5 secs Computing kpt #: 115 total cpu time spent up to now is 11.6 secs Computing kpt #: 116 total cpu time spent up to now is 11.7 secs Computing kpt #: 117 total cpu time spent up to now is 11.8 secs Computing kpt #: 118 total cpu time spent up to now is 11.9 secs Computing kpt #: 119 total cpu time spent up to now is 12.0 secs Computing kpt #: 120 total cpu time spent up to now is 12.1 secs Computing kpt #: 121 total cpu time spent up to now is 12.2 secs Computing kpt #: 122 total cpu time spent up to now is 12.3 secs Computing kpt #: 123 total cpu time spent up to now is 12.4 secs Computing kpt #: 124 total cpu time spent up to now is 12.4 secs Computing kpt #: 125 total cpu time spent up to now is 12.5 secs Computing kpt #: 126 total cpu time spent up to now is 12.6 secs Computing kpt #: 127 total cpu time spent up to now is 12.7 secs Computing kpt #: 128 total cpu time spent up to now is 12.8 secs Computing kpt #: 129 total cpu time spent up to now is 12.9 secs Computing kpt #: 130 total cpu time spent up to now is 12.9 secs Computing kpt #: 131 total cpu time spent up to now is 13.0 secs Computing kpt #: 132 total cpu time spent up to now is 13.1 secs Computing kpt #: 133 total cpu time spent up to now is 13.2 secs Computing kpt #: 134 total cpu time spent up to now is 13.3 secs Computing kpt #: 135 total cpu time spent up to now is 13.4 secs Computing kpt #: 136 total cpu time spent up to now is 13.5 secs Computing kpt #: 137 total cpu time spent up to now is 13.6 secs Computing kpt #: 138 total cpu time spent up to now is 13.7 secs Computing kpt #: 139 total cpu time spent up to now is 13.8 secs Computing kpt #: 140 total cpu time spent up to now is 13.9 secs Computing kpt #: 141 total cpu time spent up to now is 14.0 secs Computing kpt #: 142 total cpu time spent up to now is 14.1 secs Computing kpt #: 143 total cpu time spent up to now is 14.2 secs Computing kpt #: 144 total cpu time spent up to now is 14.2 secs Computing kpt #: 145 total cpu time spent up to now is 14.3 secs Computing kpt #: 146 total cpu time spent up to now is 14.4 secs Computing kpt #: 147 total cpu time spent up to now is 14.5 secs Computing kpt #: 148 total cpu time spent up to now is 14.5 secs Computing kpt #: 149 total cpu time spent up to now is 14.6 secs Computing kpt #: 150 total cpu time spent up to now is 14.7 secs Computing kpt #: 151 total cpu time spent up to now is 14.8 secs Computing kpt #: 152 total cpu time spent up to now is 14.8 secs Computing kpt #: 153 total cpu time spent up to now is 14.9 secs Computing kpt #: 154 total cpu time spent up to now is 15.0 secs Computing kpt #: 155 total cpu time spent up to now is 15.0 secs Computing kpt #: 156 total cpu time spent up to now is 15.1 secs Computing kpt #: 157 total cpu time spent up to now is 15.2 secs Computing kpt #: 158 total cpu time spent up to now is 15.3 secs Computing kpt #: 159 total cpu time spent up to now is 15.3 secs Computing kpt #: 160 total cpu time spent up to now is 15.4 secs Computing kpt #: 161 total cpu time spent up to now is 15.5 secs Computing kpt #: 162 total cpu time spent up to now is 15.5 secs Computing kpt #: 163 total cpu time spent up to now is 15.6 secs Computing kpt #: 164 total cpu time spent up to now is 15.7 secs Computing kpt #: 165 total cpu time spent up to now is 15.7 secs Computing kpt #: 166 total cpu time spent up to now is 15.8 secs Computing kpt #: 167 total cpu time spent up to now is 15.9 secs Computing kpt #: 168 total cpu time spent up to now is 16.0 secs Computing kpt #: 169 total cpu time spent up to now is 16.0 secs Computing kpt #: 170 total cpu time spent up to now is 16.1 secs Computing kpt #: 171 total cpu time spent up to now is 16.2 secs Computing kpt #: 172 total cpu time spent up to now is 16.3 secs Computing kpt #: 173 total cpu time spent up to now is 16.4 secs Computing kpt #: 174 total cpu time spent up to now is 16.5 secs Computing kpt #: 175 total cpu time spent up to now is 16.6 secs Computing kpt #: 176 total cpu time spent up to now is 16.7 secs Computing kpt #: 177 total cpu time spent up to now is 16.8 secs Computing kpt #: 178 total cpu time spent up to now is 16.9 secs Computing kpt #: 179 total cpu time spent up to now is 17.0 secs Computing kpt #: 180 total cpu time spent up to now is 17.1 secs Computing kpt #: 181 total cpu time spent up to now is 17.2 secs Computing kpt #: 182 total cpu time spent up to now is 17.3 secs Computing kpt #: 183 total cpu time spent up to now is 17.4 secs Computing kpt #: 184 total cpu time spent up to now is 17.5 secs Computing kpt #: 185 total cpu time spent up to now is 17.6 secs Computing kpt #: 186 total cpu time spent up to now is 17.7 secs Computing kpt #: 187 total cpu time spent up to now is 17.8 secs Computing kpt #: 188 total cpu time spent up to now is 17.9 secs Computing kpt #: 189 total cpu time spent up to now is 18.0 secs Computing kpt #: 190 total cpu time spent up to now is 18.1 secs Computing kpt #: 191 total cpu time spent up to now is 18.2 secs Computing kpt #: 192 total cpu time spent up to now is 18.3 secs Computing kpt #: 193 total cpu time spent up to now is 18.4 secs Computing kpt #: 194 total cpu time spent up to now is 18.5 secs Computing kpt #: 195 total cpu time spent up to now is 18.6 secs Computing kpt #: 196 total cpu time spent up to now is 18.7 secs Computing kpt #: 197 total cpu time spent up to now is 18.8 secs Computing kpt #: 198 total cpu time spent up to now is 18.9 secs Computing kpt #: 199 total cpu time spent up to now is 19.0 secs Computing kpt #: 200 total cpu time spent up to now is 19.1 secs Computing kpt #: 201 total cpu time spent up to now is 19.1 secs Computing kpt #: 202 total cpu time spent up to now is 19.2 secs Computing kpt #: 203 total cpu time spent up to now is 19.3 secs Computing kpt #: 204 total cpu time spent up to now is 19.4 secs Computing kpt #: 205 total cpu time spent up to now is 19.5 secs Computing kpt #: 206 total cpu time spent up to now is 19.6 secs Computing kpt #: 207 total cpu time spent up to now is 19.7 secs Computing kpt #: 208 total cpu time spent up to now is 19.7 secs Computing kpt #: 209 total cpu time spent up to now is 19.8 secs Computing kpt #: 210 total cpu time spent up to now is 19.9 secs Computing kpt #: 211 total cpu time spent up to now is 19.9 secs Computing kpt #: 212 total cpu time spent up to now is 20.0 secs Computing kpt #: 213 total cpu time spent up to now is 20.1 secs Computing kpt #: 214 total cpu time spent up to now is 20.1 secs Computing kpt #: 215 total cpu time spent up to now is 20.2 secs Computing kpt #: 216 total cpu time spent up to now is 20.3 secs Computing kpt #: 217 total cpu time spent up to now is 20.4 secs Computing kpt #: 218 total cpu time spent up to now is 20.4 secs Computing kpt #: 219 total cpu time spent up to now is 20.5 secs Computing kpt #: 220 total cpu time spent up to now is 20.6 secs Computing kpt #: 221 total cpu time spent up to now is 20.6 secs Computing kpt #: 222 total cpu time spent up to now is 20.7 secs Computing kpt #: 223 total cpu time spent up to now is 20.8 secs Computing kpt #: 224 total cpu time spent up to now is 20.9 secs Computing kpt #: 225 total cpu time spent up to now is 20.9 secs Computing kpt #: 226 total cpu time spent up to now is 21.0 secs Computing kpt #: 227 total cpu time spent up to now is 21.1 secs Computing kpt #: 228 total cpu time spent up to now is 21.1 secs Computing kpt #: 229 total cpu time spent up to now is 21.2 secs Computing kpt #: 230 total cpu time spent up to now is 21.3 secs Computing kpt #: 231 total cpu time spent up to now is 21.4 secs Computing kpt #: 232 total cpu time spent up to now is 21.4 secs Computing kpt #: 233 total cpu time spent up to now is 21.5 secs Computing kpt #: 234 total cpu time spent up to now is 21.6 secs Computing kpt #: 235 total cpu time spent up to now is 21.6 secs Computing kpt #: 236 total cpu time spent up to now is 21.7 secs Computing kpt #: 237 total cpu time spent up to now is 21.8 secs Computing kpt #: 238 total cpu time spent up to now is 21.8 secs Computing kpt #: 239 total cpu time spent up to now is 21.9 secs Computing kpt #: 240 total cpu time spent up to now is 22.0 secs Computing kpt #: 241 total cpu time spent up to now is 22.1 secs Computing kpt #: 242 total cpu time spent up to now is 22.1 secs Computing kpt #: 243 total cpu time spent up to now is 22.2 secs Computing kpt #: 244 total cpu time spent up to now is 22.3 secs Computing kpt #: 245 total cpu time spent up to now is 22.4 secs Computing kpt #: 246 total cpu time spent up to now is 22.5 secs Computing kpt #: 247 total cpu time spent up to now is 22.5 secs Computing kpt #: 248 total cpu time spent up to now is 22.6 secs Computing kpt #: 249 total cpu time spent up to now is 22.7 secs Computing kpt #: 250 total cpu time spent up to now is 22.8 secs Computing kpt #: 251 total cpu time spent up to now is 22.9 secs Computing kpt #: 252 total cpu time spent up to now is 23.0 secs Computing kpt #: 253 total cpu time spent up to now is 23.1 secs Computing kpt #: 254 total cpu time spent up to now is 23.2 secs Computing kpt #: 255 total cpu time spent up to now is 23.3 secs Computing kpt #: 256 total cpu time spent up to now is 23.4 secs Computing kpt #: 257 total cpu time spent up to now is 23.4 secs Computing kpt #: 258 total cpu time spent up to now is 23.5 secs Computing kpt #: 259 total cpu time spent up to now is 23.6 secs Computing kpt #: 260 total cpu time spent up to now is 23.7 secs Computing kpt #: 261 total cpu time spent up to now is 23.8 secs Computing kpt #: 262 total cpu time spent up to now is 23.9 secs Computing kpt #: 263 total cpu time spent up to now is 23.9 secs Computing kpt #: 264 total cpu time spent up to now is 24.0 secs Computing kpt #: 265 total cpu time spent up to now is 24.1 secs Computing kpt #: 266 total cpu time spent up to now is 24.2 secs Computing kpt #: 267 total cpu time spent up to now is 24.2 secs Computing kpt #: 268 total cpu time spent up to now is 24.3 secs Computing kpt #: 269 total cpu time spent up to now is 24.4 secs Computing kpt #: 270 total cpu time spent up to now is 24.4 secs Computing kpt #: 271 total cpu time spent up to now is 24.5 secs Computing kpt #: 272 total cpu time spent up to now is 24.6 secs Computing kpt #: 273 total cpu time spent up to now is 24.7 secs Computing kpt #: 274 total cpu time spent up to now is 24.7 secs Computing kpt #: 275 total cpu time spent up to now is 24.8 secs Computing kpt #: 276 total cpu time spent up to now is 24.9 secs Computing kpt #: 277 total cpu time spent up to now is 24.9 secs Computing kpt #: 278 total cpu time spent up to now is 25.0 secs Computing kpt #: 279 total cpu time spent up to now is 25.0 secs Computing kpt #: 280 total cpu time spent up to now is 25.1 secs Computing kpt #: 281 total cpu time spent up to now is 25.2 secs Computing kpt #: 282 total cpu time spent up to now is 25.2 secs Computing kpt #: 283 total cpu time spent up to now is 25.3 secs Computing kpt #: 284 total cpu time spent up to now is 25.4 secs Computing kpt #: 285 total cpu time spent up to now is 25.4 secs Computing kpt #: 286 total cpu time spent up to now is 25.5 secs Computing kpt #: 287 total cpu time spent up to now is 25.6 secs Computing kpt #: 288 total cpu time spent up to now is 25.6 secs Computing kpt #: 289 total cpu time spent up to now is 25.7 secs Computing kpt #: 290 total cpu time spent up to now is 25.8 secs Computing kpt #: 291 total cpu time spent up to now is 25.8 secs Computing kpt #: 292 total cpu time spent up to now is 25.9 secs Computing kpt #: 293 total cpu time spent up to now is 26.0 secs Computing kpt #: 294 total cpu time spent up to now is 26.0 secs Computing kpt #: 295 total cpu time spent up to now is 26.1 secs Computing kpt #: 296 total cpu time spent up to now is 26.2 secs Computing kpt #: 297 total cpu time spent up to now is 26.2 secs Computing kpt #: 298 total cpu time spent up to now is 26.3 secs Computing kpt #: 299 total cpu time spent up to now is 26.4 secs Computing kpt #: 300 total cpu time spent up to now is 26.4 secs Computing kpt #: 301 total cpu time spent up to now is 26.5 secs Computing kpt #: 302 total cpu time spent up to now is 26.6 secs Computing kpt #: 303 total cpu time spent up to now is 26.6 secs Computing kpt #: 304 total cpu time spent up to now is 26.7 secs Computing kpt #: 305 total cpu time spent up to now is 26.8 secs Computing kpt #: 306 total cpu time spent up to now is 26.9 secs Computing kpt #: 307 total cpu time spent up to now is 27.0 secs Computing kpt #: 308 total cpu time spent up to now is 27.0 secs Computing kpt #: 309 total cpu time spent up to now is 27.1 secs Computing kpt #: 310 total cpu time spent up to now is 27.2 secs Computing kpt #: 311 total cpu time spent up to now is 27.3 secs Computing kpt #: 312 total cpu time spent up to now is 27.4 secs Computing kpt #: 313 total cpu time spent up to now is 27.5 secs Computing kpt #: 314 total cpu time spent up to now is 27.5 secs Computing kpt #: 315 total cpu time spent up to now is 27.6 secs Computing kpt #: 316 total cpu time spent up to now is 27.7 secs Computing kpt #: 317 total cpu time spent up to now is 27.8 secs Computing kpt #: 318 total cpu time spent up to now is 27.9 secs Computing kpt #: 319 total cpu time spent up to now is 28.0 secs Computing kpt #: 320 total cpu time spent up to now is 28.1 secs Computing kpt #: 321 total cpu time spent up to now is 28.2 secs Computing kpt #: 322 total cpu time spent up to now is 28.3 secs Computing kpt #: 323 total cpu time spent up to now is 28.4 secs Computing kpt #: 324 total cpu time spent up to now is 28.5 secs Computing kpt #: 325 total cpu time spent up to now is 28.6 secs Computing kpt #: 326 total cpu time spent up to now is 28.7 secs Computing kpt #: 327 total cpu time spent up to now is 28.8 secs Computing kpt #: 328 total cpu time spent up to now is 28.9 secs Computing kpt #: 329 total cpu time spent up to now is 29.0 secs Computing kpt #: 330 total cpu time spent up to now is 29.1 secs Computing kpt #: 331 total cpu time spent up to now is 29.2 secs Computing kpt #: 332 total cpu time spent up to now is 29.3 secs Computing kpt #: 333 total cpu time spent up to now is 29.4 secs Computing kpt #: 334 total cpu time spent up to now is 29.5 secs Computing kpt #: 335 total cpu time spent up to now is 29.6 secs Computing kpt #: 336 total cpu time spent up to now is 29.7 secs Computing kpt #: 337 total cpu time spent up to now is 29.8 secs Computing kpt #: 338 total cpu time spent up to now is 29.9 secs Computing kpt #: 339 total cpu time spent up to now is 30.0 secs Computing kpt #: 340 total cpu time spent up to now is 30.1 secs Computing kpt #: 341 total cpu time spent up to now is 30.2 secs Computing kpt #: 342 total cpu time spent up to now is 30.3 secs Computing kpt #: 343 total cpu time spent up to now is 30.4 secs Computing kpt #: 344 total cpu time spent up to now is 30.5 secs Computing kpt #: 345 total cpu time spent up to now is 30.6 secs Computing kpt #: 346 total cpu time spent up to now is 30.6 secs Computing kpt #: 347 total cpu time spent up to now is 30.7 secs Computing kpt #: 348 total cpu time spent up to now is 30.8 secs Computing kpt #: 349 total cpu time spent up to now is 30.9 secs Computing kpt #: 350 total cpu time spent up to now is 31.0 secs Computing kpt #: 351 total cpu time spent up to now is 31.1 secs Computing kpt #: 352 total cpu time spent up to now is 31.2 secs Computing kpt #: 353 total cpu time spent up to now is 31.2 secs Computing kpt #: 354 total cpu time spent up to now is 31.3 secs Computing kpt #: 355 total cpu time spent up to now is 31.4 secs Computing kpt #: 356 total cpu time spent up to now is 31.5 secs Computing kpt #: 357 total cpu time spent up to now is 31.6 secs Computing kpt #: 358 total cpu time spent up to now is 31.7 secs Computing kpt #: 359 total cpu time spent up to now is 31.7 secs Computing kpt #: 360 total cpu time spent up to now is 31.8 secs Computing kpt #: 361 total cpu time spent up to now is 31.9 secs Computing kpt #: 362 total cpu time spent up to now is 32.0 secs Computing kpt #: 363 total cpu time spent up to now is 32.1 secs Computing kpt #: 364 total cpu time spent up to now is 32.1 secs Computing kpt #: 365 total cpu time spent up to now is 32.2 secs Computing kpt #: 366 total cpu time spent up to now is 32.3 secs Computing kpt #: 367 total cpu time spent up to now is 32.4 secs Computing kpt #: 368 total cpu time spent up to now is 32.5 secs Computing kpt #: 369 total cpu time spent up to now is 32.6 secs Computing kpt #: 370 total cpu time spent up to now is 32.7 secs Computing kpt #: 371 total cpu time spent up to now is 32.8 secs Computing kpt #: 372 total cpu time spent up to now is 32.9 secs Computing kpt #: 373 total cpu time spent up to now is 33.0 secs Computing kpt #: 374 total cpu time spent up to now is 33.1 secs Computing kpt #: 375 total cpu time spent up to now is 33.2 secs Computing kpt #: 376 total cpu time spent up to now is 33.3 secs Computing kpt #: 377 total cpu time spent up to now is 33.4 secs Computing kpt #: 378 total cpu time spent up to now is 33.5 secs Computing kpt #: 379 total cpu time spent up to now is 33.7 secs Computing kpt #: 380 total cpu time spent up to now is 33.7 secs Computing kpt #: 381 total cpu time spent up to now is 33.8 secs Computing kpt #: 382 total cpu time spent up to now is 33.9 secs Computing kpt #: 383 total cpu time spent up to now is 34.0 secs Computing kpt #: 384 total cpu time spent up to now is 34.0 secs Computing kpt #: 385 total cpu time spent up to now is 34.1 secs Computing kpt #: 386 total cpu time spent up to now is 34.2 secs Computing kpt #: 387 total cpu time spent up to now is 34.2 secs Computing kpt #: 388 total cpu time spent up to now is 34.3 secs Computing kpt #: 389 total cpu time spent up to now is 34.4 secs Computing kpt #: 390 total cpu time spent up to now is 34.4 secs Computing kpt #: 391 total cpu time spent up to now is 34.5 secs Computing kpt #: 392 total cpu time spent up to now is 34.6 secs Computing kpt #: 393 total cpu time spent up to now is 34.7 secs Computing kpt #: 394 total cpu time spent up to now is 34.7 secs Computing kpt #: 395 total cpu time spent up to now is 34.8 secs Computing kpt #: 396 total cpu time spent up to now is 34.9 secs Computing kpt #: 397 total cpu time spent up to now is 34.9 secs Computing kpt #: 398 total cpu time spent up to now is 35.0 secs Computing kpt #: 399 total cpu time spent up to now is 35.1 secs Computing kpt #: 400 total cpu time spent up to now is 35.2 secs Computing kpt #: 401 total cpu time spent up to now is 35.2 secs Computing kpt #: 402 total cpu time spent up to now is 35.3 secs Computing kpt #: 403 total cpu time spent up to now is 35.4 secs Computing kpt #: 404 total cpu time spent up to now is 35.4 secs Computing kpt #: 405 total cpu time spent up to now is 35.5 secs Computing kpt #: 406 total cpu time spent up to now is 35.6 secs Computing kpt #: 407 total cpu time spent up to now is 35.6 secs Computing kpt #: 408 total cpu time spent up to now is 35.7 secs Computing kpt #: 409 total cpu time spent up to now is 35.8 secs Computing kpt #: 410 total cpu time spent up to now is 35.9 secs Computing kpt #: 411 total cpu time spent up to now is 36.0 secs Computing kpt #: 412 total cpu time spent up to now is 36.0 secs Computing kpt #: 413 total cpu time spent up to now is 36.1 secs Computing kpt #: 414 total cpu time spent up to now is 36.2 secs Computing kpt #: 415 total cpu time spent up to now is 36.3 secs Computing kpt #: 416 total cpu time spent up to now is 36.4 secs Computing kpt #: 417 total cpu time spent up to now is 36.4 secs Computing kpt #: 418 total cpu time spent up to now is 36.5 secs Computing kpt #: 419 total cpu time spent up to now is 36.6 secs Computing kpt #: 420 total cpu time spent up to now is 36.7 secs Computing kpt #: 421 total cpu time spent up to now is 36.8 secs Computing kpt #: 422 total cpu time spent up to now is 36.8 secs Computing kpt #: 423 total cpu time spent up to now is 36.9 secs Computing kpt #: 424 total cpu time spent up to now is 37.0 secs Computing kpt #: 425 total cpu time spent up to now is 37.1 secs Computing kpt #: 426 total cpu time spent up to now is 37.1 secs Computing kpt #: 427 total cpu time spent up to now is 37.2 secs Computing kpt #: 428 total cpu time spent up to now is 37.3 secs Computing kpt #: 429 total cpu time spent up to now is 37.3 secs Computing kpt #: 430 total cpu time spent up to now is 37.4 secs Computing kpt #: 431 total cpu time spent up to now is 37.5 secs Computing kpt #: 432 total cpu time spent up to now is 37.6 secs Computing kpt #: 433 total cpu time spent up to now is 37.6 secs Computing kpt #: 434 total cpu time spent up to now is 37.7 secs Computing kpt #: 435 total cpu time spent up to now is 37.8 secs Computing kpt #: 436 total cpu time spent up to now is 37.8 secs Computing kpt #: 437 total cpu time spent up to now is 37.9 secs Computing kpt #: 438 total cpu time spent up to now is 38.0 secs Computing kpt #: 439 total cpu time spent up to now is 38.1 secs Computing kpt #: 440 total cpu time spent up to now is 38.1 secs Computing kpt #: 441 total cpu time spent up to now is 38.2 secs Computing kpt #: 442 total cpu time spent up to now is 38.3 secs Computing kpt #: 443 total cpu time spent up to now is 38.3 secs Computing kpt #: 444 total cpu time spent up to now is 38.4 secs Computing kpt #: 445 total cpu time spent up to now is 38.5 secs Computing kpt #: 446 total cpu time spent up to now is 38.6 secs Computing kpt #: 447 total cpu time spent up to now is 38.7 secs Computing kpt #: 448 total cpu time spent up to now is 38.8 secs Computing kpt #: 449 total cpu time spent up to now is 38.9 secs Computing kpt #: 450 total cpu time spent up to now is 39.0 secs Computing kpt #: 451 total cpu time spent up to now is 39.1 secs Computing kpt #: 452 total cpu time spent up to now is 39.1 secs Computing kpt #: 453 total cpu time spent up to now is 39.2 secs Computing kpt #: 454 total cpu time spent up to now is 39.3 secs Computing kpt #: 455 total cpu time spent up to now is 39.4 secs Computing kpt #: 456 total cpu time spent up to now is 39.5 secs Computing kpt #: 457 total cpu time spent up to now is 39.6 secs Computing kpt #: 458 total cpu time spent up to now is 39.7 secs Computing kpt #: 459 total cpu time spent up to now is 39.8 secs Computing kpt #: 460 total cpu time spent up to now is 39.9 secs Computing kpt #: 461 total cpu time spent up to now is 40.0 secs Computing kpt #: 462 total cpu time spent up to now is 40.1 secs Computing kpt #: 463 total cpu time spent up to now is 40.2 secs Computing kpt #: 464 total cpu time spent up to now is 40.3 secs Computing kpt #: 465 total cpu time spent up to now is 40.4 secs Computing kpt #: 466 total cpu time spent up to now is 40.4 secs Computing kpt #: 467 total cpu time spent up to now is 40.5 secs Computing kpt #: 468 total cpu time spent up to now is 40.6 secs Computing kpt #: 469 total cpu time spent up to now is 40.7 secs Computing kpt #: 470 total cpu time spent up to now is 40.8 secs Computing kpt #: 471 total cpu time spent up to now is 40.9 secs Computing kpt #: 472 total cpu time spent up to now is 41.0 secs Computing kpt #: 473 total cpu time spent up to now is 41.1 secs Computing kpt #: 474 total cpu time spent up to now is 41.2 secs Computing kpt #: 475 total cpu time spent up to now is 41.3 secs Computing kpt #: 476 total cpu time spent up to now is 41.4 secs Computing kpt #: 477 total cpu time spent up to now is 41.5 secs Computing kpt #: 478 total cpu time spent up to now is 41.6 secs Computing kpt #: 479 total cpu time spent up to now is 41.7 secs ethr = 7.14E-08, avg # of iterations = 14.5 total cpu time spent up to now is 41.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1483 PWs) bands (ev): -7.7049 -7.7049 2.7604 2.7604 4.3158 4.3158 5.7597 5.7597 6.9543 6.9543 7.0489 7.0489 7.0948 7.0948 7.3364 7.3364 8.0364 8.0364 8.3912 8.3912 15.2563 15.2563 k = 0.0000 0.0093-0.0000 ( 1481 PWs) bands (ev): -7.7038 -7.7038 2.7612 2.7612 4.3172 4.3172 5.7599 5.7599 6.9534 6.9534 7.0490 7.0490 7.0924 7.0924 7.3357 7.3357 8.0342 8.0342 8.3882 8.3882 15.2619 15.2619 k = 0.0000 0.0185-0.0000 ( 1481 PWs) bands (ev): -7.7006 -7.7006 2.7636 2.7636 4.3215 4.3215 5.7604 5.7604 6.9505 6.9505 7.0491 7.0491 7.0852 7.0852 7.3336 7.3336 8.0275 8.0275 8.3799 8.3799 15.2742 15.2742 k = 0.0000 0.0278-0.0000 ( 1481 PWs) bands (ev): -7.6953 -7.6953 2.7676 2.7676 4.3286 4.3286 5.7610 5.7610 6.9447 6.9447 7.0493 7.0493 7.0736 7.0736 7.3301 7.3301 8.0155 8.0155 8.3681 8.3681 15.2859 15.2859 k = 0.0000 0.0370-0.0000 ( 1477 PWs) bands (ev): -7.6879 -7.6879 2.7732 2.7732 4.3385 4.3385 5.7618 5.7618 6.9341 6.9341 7.0497 7.0497 7.0588 7.0588 7.3252 7.3252 7.9975 7.9975 8.3554 8.3554 15.2966 15.2966 k = 0.0000 0.0463-0.0000 ( 1478 PWs) bands (ev): -7.6783 -7.6783 2.7803 2.7803 4.3511 4.3511 5.7625 5.7625 6.9155 6.9155 7.0428 7.0428 7.0503 7.0503 7.3191 7.3191 7.9730 7.9730 8.3445 8.3445 15.3077 15.3077 k = 0.0000 0.0556-0.0000 ( 1478 PWs) bands (ev): -7.6667 -7.6667 2.7890 2.7890 4.3664 4.3664 5.7631 5.7631 6.8847 6.8847 7.0291 7.0291 7.0508 7.0508 7.3119 7.3119 7.9429 7.9429 8.3376 8.3376 15.3201 15.3201 k = 0.0000 0.0648-0.0000 ( 1478 PWs) bands (ev): -7.6530 -7.6530 2.7993 2.7993 4.3843 4.3843 5.7631 5.7631 6.8391 6.8391 7.0191 7.0191 7.0514 7.0514 7.3036 7.3036 7.9087 7.9087 8.3357 8.3357 15.3341 15.3341 k = 0.0000 0.0741-0.0000 ( 1478 PWs) bands (ev): -7.6372 -7.6372 2.8110 2.8110 4.4047 4.4047 5.7622 5.7622 6.7784 6.7784 7.0129 7.0129 7.0523 7.0523 7.2943 7.2943 7.8731 7.8731 8.3387 8.3387 15.3499 15.3499 k = 0.0000 0.0833-0.0000 ( 1482 PWs) bands (ev): -7.6193 -7.6193 2.8242 2.8242 4.4275 4.4275 5.7593 5.7593 6.7041 6.7041 7.0093 7.0093 7.0532 7.0532 7.2840 7.2840 7.8384 7.8384 8.3464 8.3464 15.3675 15.3675 k = 0.0000 0.0926-0.0000 ( 1478 PWs) bands (ev): -7.5994 -7.5994 2.8389 2.8389 4.4524 4.4524 5.7537 5.7537 6.6186 6.6186 7.0075 7.0075 7.0543 7.0543 7.2731 7.2731 7.8066 7.8066 8.3579 8.3579 15.3870 15.3870 k = 0.0000 0.1019-0.0000 ( 1480 PWs) bands (ev): -7.5775 -7.5775 2.8550 2.8550 4.4793 4.4793 5.7433 5.7433 6.5252 6.5252 7.0069 7.0069 7.0555 7.0555 7.2614 7.2614 7.7787 7.7787 8.3729 8.3729 15.4083 15.4083 k = 0.0000 0.1111-0.0000 ( 1484 PWs) bands (ev): -7.5537 -7.5537 2.8724 2.8724 4.5076 4.5076 5.7253 5.7253 6.4288 6.4288 7.0072 7.0072 7.0569 7.0569 7.2490 7.2490 7.7551 7.7551 8.3906 8.3906 15.4315 15.4315 k = 0.0000 0.1204-0.0000 ( 1476 PWs) bands (ev): -7.5278 -7.5278 2.8912 2.8912 4.5370 4.5370 5.6958 5.6958 6.3358 6.3358 7.0083 7.0083 7.0585 7.0585 7.2364 7.2364 7.7359 7.7359 8.4109 8.4109 15.4565 15.4565 k = 0.0000 0.1296-0.0000 ( 1476 PWs) bands (ev): -7.5001 -7.5001 2.9112 2.9112 4.5666 4.5666 5.6492 5.6492 6.2539 6.2539 7.0099 7.0099 7.0602 7.0602 7.2231 7.2231 7.7206 7.7206 8.4334 8.4334 15.4831 15.4831 k = 0.0000 0.1389-0.0000 ( 1476 PWs) bands (ev): -7.4705 -7.4705 2.9325 2.9325 4.5951 4.5951 5.5819 5.5819 6.1899 6.1899 7.0120 7.0120 7.0621 7.0621 7.2095 7.2095 7.7089 7.7089 8.4577 8.4577 15.5113 15.5113 k = 0.0000 0.1481-0.0000 ( 1476 PWs) bands (ev): -7.4390 -7.4390 2.9548 2.9548 4.6203 4.6203 5.4946 5.4946 6.1465 6.1465 7.0147 7.0147 7.0640 7.0640 7.1959 7.1959 7.7002 7.7002 8.4838 8.4838 15.5407 15.5407 k = 0.0000 0.1574-0.0000 ( 1474 PWs) bands (ev): -7.4057 -7.4057 2.9783 2.9783 4.6385 4.6385 5.3948 5.3948 6.1214 6.1214 7.0178 7.0178 7.0661 7.0661 7.1823 7.1823 7.6942 7.6942 8.5113 8.5113 15.5688 15.5688 k = 0.0000 0.1667-0.0000 ( 1472 PWs) bands (ev): -7.3707 -7.3707 3.0028 3.0028 4.6426 4.6426 5.2947 5.2947 6.1104 6.1104 7.0213 7.0213 7.0680 7.0680 7.1689 7.1689 7.6905 7.6905 8.5403 8.5403 15.4603 15.4603 k = 0.0000 0.1759-0.0000 ( 1472 PWs) bands (ev): -7.3340 -7.3340 3.0282 3.0282 4.6217 4.6217 5.2100 5.2100 6.1097 6.1097 7.0251 7.0251 7.0697 7.0697 7.1563 7.1563 7.6889 7.6889 8.5705 8.5705 15.2914 15.2914 k = 0.0000 0.1852-0.0000 ( 1478 PWs) bands (ev): -7.2957 -7.2957 3.0544 3.0544 4.5640 4.5640 5.1559 5.1559 6.1164 6.1164 7.0291 7.0291 7.0705 7.0705 7.1450 7.1450 7.6889 7.6889 8.6019 8.6019 15.1188 15.1188 k = 0.0000 0.1944-0.0000 ( 1478 PWs) bands (ev): -7.2558 -7.2558 3.0813 3.0813 4.4678 4.4678 5.1368 5.1368 6.1291 6.1291 7.0330 7.0330 7.0700 7.0700 7.1364 7.1364 7.6906 7.6906 8.6342 8.6342 14.9439 14.9439 k = 0.0000 0.2037-0.0000 ( 1470 PWs) bands (ev): -7.2143 -7.2143 3.1087 3.1087 4.3424 4.3424 5.1447 5.1447 6.1467 6.1467 7.0364 7.0364 7.0675 7.0675 7.1316 7.1316 7.6937 7.6937 8.6675 8.6675 14.7674 14.7674 k = 0.0000 0.2130-0.0000 ( 1470 PWs) bands (ev): -7.1715 -7.1715 3.1366 3.1366 4.1993 4.1993 5.1695 5.1695 6.1685 6.1685 7.0378 7.0378 7.0635 7.0635 7.1312 7.1312 7.6980 7.6980 8.7016 8.7016 14.5898 14.5898 k = 0.0000 0.2222-0.0000 ( 1470 PWs) bands (ev): -7.1273 -7.1273 3.1645 3.1645 4.0464 4.0464 5.2039 5.2039 6.1943 6.1943 7.0346 7.0346 7.0612 7.0612 7.1351 7.1351 7.7035 7.7035 8.7364 8.7364 14.4117 14.4117 k = 0.0000 0.2315-0.0000 ( 1466 PWs) bands (ev): -7.0818 -7.0818 3.1921 3.1921 3.8887 3.8887 5.2437 5.2437 6.2240 6.2240 7.0261 7.0261 7.0623 7.0623 7.1424 7.1424 7.7102 7.7102 8.7718 8.7718 14.2335 14.2335 k = 0.0000 0.2407-0.0000 ( 1472 PWs) bands (ev): -7.0352 -7.0352 3.2183 3.2183 3.7300 3.7300 5.2865 5.2865 6.2575 6.2575 7.0144 7.0144 7.0651 7.0651 7.1524 7.1524 7.7179 7.7179 8.8078 8.8078 14.0557 14.0557 k = 0.0000 0.2500-0.0000 ( 1472 PWs) bands (ev): -6.9875 -6.9875 3.2401 3.2401 3.5749 3.5749 5.3306 5.3306 6.2950 6.2950 7.0014 7.0014 7.0687 7.0687 7.1649 7.1649 7.7268 7.7268 8.8441 8.8441 13.8786 13.8786 k = 0.0000 0.2593-0.0000 ( 1468 PWs) bands (ev): -6.9389 -6.9389 3.2440 3.2440 3.4382 3.4382 5.3749 5.3749 6.3366 6.3366 6.9878 6.9878 7.0723 7.0723 7.1797 7.1797 7.7369 7.7369 8.8808 8.8808 13.7027 13.7027 k = 0.0000 0.2685-0.0000 ( 1466 PWs) bands (ev): -6.8895 -6.8895 3.1772 3.1772 3.3733 3.3733 5.4184 5.4184 6.3820 6.3820 6.9741 6.9741 7.0761 7.0761 7.1967 7.1967 7.7481 7.7481 8.9176 8.9176 13.5282 13.5282 k = 0.0000 0.2778-0.0000 ( 1468 PWs) bands (ev): -6.8393 -6.8393 3.0425 3.0425 3.3780 3.3780 5.4605 5.4605 6.4314 6.4314 6.9604 6.9604 7.0797 7.0797 7.2156 7.2156 7.7606 7.7606 8.9545 8.9545 13.3556 13.3556 k = 0.0000 0.2870-0.0000 ( 1464 PWs) bands (ev): -6.7887 -6.7887 2.8928 2.8928 3.3999 3.3999 5.5009 5.5009 6.4846 6.4846 6.9470 6.9470 7.0832 7.0832 7.2366 7.2366 7.7746 7.7746 8.9914 8.9914 13.1850 13.1850 k = 0.0000 0.2963-0.0000 ( 1460 PWs) bands (ev): -6.7376 -6.7376 2.7415 2.7415 3.4260 3.4260 5.5392 5.5392 6.5413 6.5413 6.9340 6.9340 7.0867 7.0867 7.2596 7.2596 7.7903 7.7903 9.0281 9.0281 13.0168 13.0168 k = 0.0000 0.3056-0.0000 ( 1462 PWs) bands (ev): -6.6863 -6.6863 2.5918 2.5918 3.4534 3.4534 5.5751 5.5751 6.6008 6.6008 6.9216 6.9216 7.0899 7.0899 7.2845 7.2845 7.8079 7.8079 9.0645 9.0645 12.8513 12.8513 k = 0.0000 0.3148-0.0000 ( 1462 PWs) bands (ev): -6.6350 -6.6350 2.4451 2.4451 3.4810 3.4810 5.6085 5.6085 6.6624 6.6624 6.9104 6.9104 7.0931 7.0931 7.3114 7.3114 7.8277 7.8277 9.1006 9.1006 12.6888 12.6888 k = 0.0000 0.3241-0.0000 ( 1462 PWs) bands (ev): -6.5838 -6.5838 2.3021 2.3021 3.5084 3.5084 5.6395 5.6395 6.7242 6.7242 6.9014 6.9014 7.0962 7.0962 7.3401 7.3401 7.8501 7.8501 9.1361 9.1361 12.5295 12.5295 k = 0.0000 0.3333-0.0000 ( 1460 PWs) bands (ev): -6.5329 -6.5329 2.1632 2.1632 3.5354 3.5354 5.6681 5.6681 6.7820 6.7820 6.8983 6.8983 7.0992 7.0992 7.3706 7.3706 7.8757 7.8757 9.1709 9.1709 12.3738 12.3738 k = 0.0000 0.3426-0.0000 ( 1464 PWs) bands (ev): -6.4826 -6.4826 2.0290 2.0290 3.5616 3.5616 5.6944 5.6944 6.8225 6.8225 6.9130 6.9130 7.1023 7.1023 7.4027 7.4027 7.9049 7.9049 9.2049 9.2049 12.2220 12.2220 k = 0.0000 0.3519-0.0000 ( 1468 PWs) bands (ev): -6.4331 -6.4331 1.8998 1.8998 3.5869 3.5869 5.7185 5.7185 6.8337 6.8337 6.9566 6.9566 7.1054 7.1054 7.4363 7.4363 7.9385 7.9385 9.2380 9.2380 12.0744 12.0744 k = 0.0000 0.3611-0.0000 ( 1472 PWs) bands (ev): -6.3847 -6.3847 1.7761 1.7761 3.6113 3.6113 5.7405 5.7405 6.8306 6.8306 7.0125 7.0125 7.1091 7.1091 7.4712 7.4712 7.9772 7.9772 9.2701 9.2701 11.9314 11.9314 k = 0.0000 0.3704-0.0000 ( 1472 PWs) bands (ev): -6.3375 -6.3375 1.6581 1.6581 3.6346 3.6346 5.7605 5.7605 6.8237 6.8237 7.0669 7.0669 7.1159 7.1159 7.5074 7.5074 8.0214 8.0214 9.3009 9.3009 11.7933 11.7933 k = 0.0000 0.3796-0.0000 ( 1470 PWs) bands (ev): -6.2918 -6.2918 1.5462 1.5462 3.6566 3.6566 5.7787 5.7787 6.8159 6.8159 7.0998 7.0998 7.1416 7.1416 7.5445 7.5445 8.0718 8.0718 9.3304 9.3304 11.6606 11.6606 k = 0.0000 0.3889-0.0000 ( 1468 PWs) bands (ev): -6.2480 -6.2480 1.4409 1.4409 3.6774 3.6774 5.7952 5.7952 6.8080 6.8080 7.1080 7.1080 7.1878 7.1878 7.5820 7.5820 8.1286 8.1286 9.3583 9.3583 11.5337 11.5337 k = 0.0000 0.3981-0.0000 ( 1472 PWs) bands (ev): -6.2063 -6.2063 1.3423 1.3423 3.6968 3.6968 5.8101 5.8101 6.8002 6.8002 7.1114 7.1114 7.2335 7.2335 7.6198 7.6198 8.1917 8.1917 9.3847 9.3847 11.4131 11.4131 k = 0.0000 0.4074-0.0000 ( 1468 PWs) bands (ev): -6.1670 -6.1670 1.2510 1.2510 3.7147 3.7147 5.8234 5.8234 6.7929 6.7929 7.1139 7.1139 7.2747 7.2747 7.6574 7.6574 8.2604 8.2604 9.4093 9.4093 11.2993 11.2993 k = 0.0000 0.4167-0.0000 ( 1468 PWs) bands (ev): -6.1303 -6.1303 1.1671 1.1671 3.7311 3.7311 5.8353 5.8353 6.7862 6.7862 7.1158 7.1158 7.3106 7.3106 7.6943 7.6943 8.3339 8.3339 9.4320 9.4320 11.1931 11.1931 k = 0.0000 0.4259-0.0000 ( 1468 PWs) bands (ev): -6.0966 -6.0966 1.0910 1.0910 3.7460 3.7460 5.8457 5.8457 6.7801 6.7801 7.1175 7.1175 7.3414 7.3414 7.7300 7.7300 8.4105 8.4105 9.4526 9.4526 11.0951 11.0951 k = 0.0000 0.4352-0.0000 ( 1468 PWs) bands (ev): -6.0661 -6.0661 1.0231 1.0231 3.7592 3.7592 5.8549 5.8549 6.7747 6.7747 7.1190 7.1190 7.3673 7.3673 7.7638 7.7638 8.4885 8.4885 9.4711 9.4711 11.0059 11.0059 k = 0.0000 0.4444-0.0000 ( 1472 PWs) bands (ev): -6.0390 -6.0390 0.9635 0.9635 3.7707 3.7707 5.8627 5.8627 6.7698 6.7698 7.1202 7.1202 7.3886 7.3886 7.7952 7.7952 8.5657 8.5657 9.4874 9.4874 10.9264 10.9264 k = 0.0000 0.4537-0.0000 ( 1476 PWs) bands (ev): -6.0157 -6.0157 0.9126 0.9126 3.7805 3.7805 5.8692 5.8692 6.7657 6.7657 7.1211 7.1211 7.4059 7.4059 7.8234 7.8234 8.6394 8.6394 9.5013 9.5013 10.8573 10.8573 k = 0.0000 0.4630-0.0000 ( 1476 PWs) bands (ev): -5.9963 -5.9963 0.8707 0.8707 3.7885 3.7885 5.8746 5.8746 6.7624 6.7624 7.1220 7.1220 7.4195 7.4195 7.8477 7.8477 8.7066 8.7066 9.5127 9.5127 10.7995 10.7995 k = 0.0000 0.4722-0.0000 ( 1476 PWs) bands (ev): -5.9810 -5.9810 0.8378 0.8378 3.7948 3.7948 5.8787 5.8787 6.7598 6.7598 7.1226 7.1226 7.4298 7.4298 7.8675 7.8675 8.7641 8.7641 9.5216 9.5216 10.7536 10.7536 k = 0.0000 0.4815-0.0000 ( 1478 PWs) bands (ev): -5.9700 -5.9700 0.8142 0.8142 3.7993 3.7993 5.8816 5.8816 6.7579 6.7579 7.1230 7.1230 7.4369 7.4369 7.8821 7.8821 8.8084 8.8084 9.5280 9.5280 10.7204 10.7204 k = 0.0000 0.4907-0.0000 ( 1478 PWs) bands (ev): -5.9633 -5.9633 0.8000 0.8000 3.8021 3.8021 5.8834 5.8834 6.7568 6.7568 7.1232 7.1232 7.4412 7.4412 7.8911 7.8911 8.8364 8.8364 9.5318 9.5318 10.7002 10.7002 k = 0.0000 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.9611 -5.9611 0.7953 0.7953 3.8030 3.8030 5.8840 5.8840 6.7564 6.7564 7.1233 7.1233 7.4426 7.4426 7.8942 7.8942 8.8460 8.8460 9.5330 9.5330 10.6935 10.6935 k = 0.0000 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.9611 -5.9611 0.7953 0.7953 3.8030 3.8030 5.8840 5.8840 6.7564 6.7564 7.1233 7.1233 7.4426 7.4426 7.8942 7.8942 8.8460 8.8460 9.5330 9.5330 10.6935 10.6935 k = 0.0093 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.9601 -5.9601 0.7964 0.7964 3.8040 3.8040 5.8851 5.8851 6.7546 6.7546 7.1222 7.1222 7.4424 7.4424 7.8937 7.8937 8.8454 8.8454 9.5274 9.5274 10.6960 10.6960 k = 0.0185 0.5000-0.0000 ( 1474 PWs) bands (ev): -5.9571 -5.9571 0.7999 0.7999 3.8072 3.8072 5.8886 5.8886 6.7494 6.7494 7.1189 7.1189 7.4419 7.4419 7.8925 7.8925 8.8430 8.8430 9.5113 9.5113 10.7035 10.7035 k = 0.0278 0.5000-0.0000 ( 1472 PWs) bands (ev): -5.9520 -5.9520 0.8056 0.8056 3.8124 3.8124 5.8944 5.8944 6.7405 6.7405 7.1134 7.1134 7.4411 7.4411 7.8903 7.8903 8.8373 8.8373 9.4866 9.4866 10.7161 10.7161 k = 0.0370 0.5000-0.0000 ( 1472 PWs) bands (ev): -5.9449 -5.9449 0.8136 0.8136 3.8197 3.8197 5.9026 5.9026 6.7284 6.7284 7.1056 7.1056 7.4399 7.4399 7.8872 7.8872 8.8254 8.8254 9.4569 9.4569 10.7335 10.7335 k = 0.0463 0.5000-0.0000 ( 1472 PWs) bands (ev): -5.9358 -5.9358 0.8239 0.8239 3.8291 3.8291 5.9130 5.9130 6.7131 6.7131 7.0956 7.0956 7.4383 7.4383 7.8831 7.8831 8.8034 8.8034 9.4270 9.4270 10.7558 10.7558 k = 0.0556 0.5000-0.0000 ( 1472 PWs) bands (ev): -5.9247 -5.9247 0.8365 0.8365 3.8406 3.8406 5.9257 5.9257 6.6948 6.6948 7.0837 7.0837 7.4364 7.4364 7.8781 7.8781 8.7666 8.7666 9.4027 9.4027 10.7830 10.7830 k = 0.0648 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.9116 -5.9116 0.8513 0.8513 3.8541 3.8541 5.9405 5.9405 6.6736 6.6736 7.0697 7.0697 7.4342 7.4342 7.8720 7.8720 8.7111 8.7111 9.3891 9.3891 10.8148 10.8148 k = 0.0741 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.8965 -5.8965 0.8684 0.8684 3.8697 3.8697 5.9576 5.9576 6.6498 6.6498 7.0540 7.0540 7.4317 7.4317 7.8648 7.8648 8.6355 8.6355 9.3888 9.3888 10.8511 10.8511 k = 0.0833 0.5000-0.0000 ( 1478 PWs) bands (ev): -5.8795 -5.8795 0.8877 0.8877 3.8873 3.8873 5.9767 5.9767 6.6235 6.6235 7.0367 7.0367 7.4287 7.4287 7.8562 7.8562 8.5412 8.5412 9.4019 9.4019 10.8919 10.8919 k = 0.0926 0.5000-0.0000 ( 1478 PWs) bands (ev): -5.8606 -5.8606 0.9092 0.9092 3.9070 3.9070 5.9980 5.9980 6.5950 6.5950 7.0178 7.0178 7.4255 7.4255 7.8459 7.8459 8.4310 8.4311 9.4269 9.4269 10.9371 11.0828 k = 0.1019 0.5000-0.0000 ( 1478 PWs) bands (ev): -5.8397 -5.8397 0.9328 0.9328 3.9286 3.9286 6.0211 6.0211 6.5644 6.5644 6.9975 6.9975 7.4219 7.4219 7.8333 7.8333 8.3090 8.3090 9.4617 9.4617 10.9864 10.9864 k = 0.1111 0.5000-0.0000 ( 1482 PWs) bands (ev): -5.8170 -5.8170 0.9587 0.9587 3.9523 3.9523 6.0461 6.0461 6.5318 6.5318 6.9759 6.9759 7.4179 7.4179 7.8167 7.8167 8.1795 8.1795 9.5046 9.5046 11.0398 11.0398 k = 0.1204 0.5000-0.0000 ( 1486 PWs) bands (ev): -5.7924 -5.7924 0.9866 0.9866 3.9779 3.9779 6.0726 6.0726 6.4971 6.4971 6.9532 6.9532 7.4136 7.4136 7.7917 7.7917 8.0496 8.0496 9.5542 9.5542 11.0887 11.0887 k = 0.1296 0.5000-0.0000 ( 1486 PWs) bands (ev): -5.7660 -5.7660 1.0167 1.0167 4.0055 4.0055 6.1008 6.1008 6.4607 6.4607 6.9296 6.9296 7.4088 7.4088 7.7438 7.7438 7.9356 7.9356 9.6094 9.6094 11.0914 11.0914 k = 0.1389 0.5000-0.0000 ( 1486 PWs) bands (ev): -5.7379 -5.7379 1.0488 1.0488 4.0351 4.0351 6.1303 6.1303 6.4223 6.4223 6.9051 6.9051 7.4035 7.4035 7.6491 7.6491 7.8638 7.8638 9.6694 9.6694 11.0935 11.0935 k = 0.1481 0.5000-0.0000 ( 1482 PWs) bands (ev): -5.7079 -5.7079 1.0829 1.0829 4.0665 4.0665 6.1604 6.1604 6.3822 6.3822 6.8801 6.8801 7.3971 7.3971 7.5174 7.5174 7.8265 7.8265 9.7336 9.7336 11.0955 11.0955 k = 0.1574 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.6763 -5.6763 1.1190 1.1190 4.0999 4.0999 6.1893 6.1893 6.3412 6.3412 6.8544 6.8544 7.3609 7.3609 7.4014 7.4014 7.8018 7.8018 9.8016 9.8016 11.0973 11.0973 k = 0.1667 0.5000-0.0000 ( 1472 PWs) bands (ev): -5.6431 -5.6431 1.1570 1.1570 4.1351 4.1351 6.2107 6.2107 6.3049 6.3049 6.8282 6.8282 7.2172 7.2172 7.3891 7.3891 7.7808 7.7808 9.8730 9.8730 11.0988 11.0988 k = 0.1759 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.6083 -5.6083 1.1969 1.1969 4.1721 4.1721 6.1991 6.1991 6.2966 6.2966 6.8017 6.8017 7.0699 7.0699 7.3821 7.3821 7.7608 7.7608 9.9474 9.9474 11.1000 11.1000 k = 0.1852 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.5719 -5.5719 1.2387 1.2387 4.2108 4.2108 6.1493 6.1493 6.3197 6.3197 6.7749 6.7749 6.9282 6.9282 7.3752 7.3752 7.7408 7.7408 10.0247 10.0247 11.1006 11.1006 k = 0.1944 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.5341 -5.5341 1.2822 1.2822 4.2513 4.2513 6.0806 6.0806 6.3518 6.3518 6.7459 6.7459 6.7980 6.7980 7.3683 7.3683 7.7202 7.7202 10.1045 10.1045 11.1006 11.1006 k = 0.2037 0.5000-0.0000 ( 1480 PWs) bands (ev): -5.4949 -5.4949 1.3274 1.3274 4.2935 4.2935 5.9968 5.9968 6.3858 6.3858 6.6711 6.6711 6.7272 6.7272 7.3613 7.3613 7.6987 7.6987 10.1869 10.1869 11.0999 11.0999 k = 0.2130 0.5000-0.0000 ( 1480 PWs) bands (ev): -5.4544 -5.4544 1.3742 1.3742 4.3372 4.3372 5.8976 5.8976 6.4187 6.4187 6.5708 6.5708 6.6998 6.6998 7.3542 7.3542 7.6763 7.6763 10.2714 10.2714 11.0983 11.0983 k = 0.2222 0.5000-0.0000 ( 1480 PWs) bands (ev): -5.4126 -5.4126 1.4226 1.4226 4.3825 4.3825 5.7835 5.7835 6.4375 6.4375 6.4981 6.4981 6.6751 6.6751 7.3472 7.3472 7.6527 7.6527 10.3581 10.3581 11.0956 11.0956 k = 0.2315 0.5000-0.0000 ( 1480 PWs) bands (ev): -5.3697 -5.3697 1.4724 1.4724 4.4291 4.4291 5.6568 5.6568 6.3931 6.3931 6.5004 6.5004 6.6532 6.6532 7.3405 7.3405 7.6280 7.6280 10.4468 10.4468 11.0918 11.0918 k = 0.2407 0.5000-0.0000 ( 1472 PWs) bands (ev): -5.3257 -5.3257 1.5236 1.5236 4.4770 4.4770 5.5210 5.5210 6.3342 6.3342 6.5229 6.5229 6.6370 6.6370 7.3343 7.3343 7.6021 7.6021 10.5374 10.5374 11.0865 11.0865 k = 0.2500 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.2808 -5.2808 1.5760 1.5760 4.5258 4.5258 5.3793 5.3793 6.2814 6.2814 6.5352 6.5352 6.6326 6.6326 7.3288 7.3288 7.5748 7.5748 10.6296 10.6296 11.0796 11.0796 k = 0.2593 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.2350 -5.2350 1.6296 1.6296 4.5748 4.5748 5.2353 5.2353 6.2347 6.2347 6.5306 6.5306 6.6445 6.6445 7.3245 7.3245 7.5461 7.5461 10.7235 10.7235 11.0710 11.0710 k = 0.2685 0.5000-0.0000 ( 1472 PWs) bands (ev): -5.1886 -5.1886 1.6842 1.6842 4.6223 4.6223 5.0926 5.0926 6.1929 6.1929 6.5152 6.5152 6.6656 6.6656 7.3217 7.3217 7.5162 7.5162 10.8187 10.8187 11.0604 11.0604 k = 0.2778 0.5000-0.0000 ( 1472 PWs) bands (ev): -5.1415 -5.1415 1.7397 1.7397 4.6626 4.6626 4.9583 4.9583 6.1548 6.1548 6.4955 6.4955 6.6884 6.6884 7.3208 7.3208 7.4847 7.4847 10.9150 10.9150 11.0481 11.0481 k = 0.2870 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.0940 -5.0940 1.7960 1.7960 4.6682 4.6682 4.8610 4.8610 6.1199 6.1199 6.4743 6.4743 6.7092 6.7092 7.3223 7.3223 7.4520 7.4520 11.0071 11.0071 11.0390 11.0390 k = 0.2963 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.0462 -5.0462 1.8528 1.8528 4.5877 4.5877 4.8530 4.8530 6.0876 6.0876 6.4529 6.4529 6.7267 6.7267 7.3264 7.3264 7.4181 7.4181 11.0120 11.0120 11.1157 11.1157 k = 0.3056 0.5000-0.0000 ( 1480 PWs) bands (ev): -4.9983 -4.9983 1.9100 1.9100 4.4625 4.4625 4.8936 4.8936 6.0575 6.0575 6.4315 6.4315 6.7397 6.7397 7.3323 7.3323 7.3841 7.3841 10.9928 10.9928 11.2150 11.2150 k = 0.3148 0.5000-0.0000 ( 1480 PWs) bands (ev): -4.9503 -4.9503 1.9675 1.9675 4.3293 4.3293 4.9465 4.9465 6.0294 6.0294 6.4106 6.4106 6.7477 6.7477 7.3297 7.3297 7.3607 7.3607 10.9704 10.9704 11.3158 11.3158 k = 0.3241 0.5000-0.0000 ( 1476 PWs) bands (ev): -4.9026 -4.9026 2.0250 2.0250 4.1963 4.1963 5.0040 5.0040 6.0030 6.0030 6.3905 6.3905 6.7504 6.7504 7.2987 7.2987 7.3675 7.3675 10.9456 10.9456 11.4175 11.4175 k = 0.3333 0.5000-0.0000 ( 1476 PWs) bands (ev): -4.8553 -4.8553 2.0822 2.0822 4.0660 4.0660 5.0640 5.0640 5.9783 5.9783 6.3710 6.3710 6.7481 6.7481 7.2594 7.2594 7.3842 7.3842 10.9185 10.9185 11.5197 11.5197 k = 0.3426 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.8086 -4.8086 2.1390 2.1390 3.9396 3.9396 5.1257 5.1257 5.9551 5.9551 6.3524 6.3524 6.7411 6.7411 7.2174 7.2174 7.4044 7.4044 10.8896 10.8896 11.6221 11.6221 k = 0.3519 0.5000-0.0000 ( 1468 PWs) bands (ev): -4.7628 -4.7628 2.1950 2.1950 3.8178 3.8178 5.1886 5.1886 5.9335 5.9335 6.3345 6.3345 6.7300 6.7300 7.1736 7.1736 7.4270 7.4270 10.8591 10.8591 11.7246 11.7246 k = 0.3611 0.5000-0.0000 ( 1468 PWs) bands (ev): -4.7179 -4.7179 2.2499 2.2499 3.7011 3.7011 5.2526 5.2526 5.9133 5.9133 6.3175 6.3175 6.7153 6.7153 7.1280 7.1280 7.4510 7.4510 10.8276 10.8276 11.8267 11.8267 k = 0.3704 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.6744 -4.6744 2.3035 2.3035 3.5900 3.5900 5.3174 5.3174 5.8944 5.8944 6.3015 6.3015 6.6976 6.6976 7.0808 7.0808 7.4758 7.4758 10.7955 10.7955 11.9281 11.9281 k = 0.3796 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.6323 -4.6323 2.3552 2.3552 3.4850 3.4850 5.3830 5.3830 5.8769 5.8769 6.2864 6.2864 6.6778 6.6778 7.0320 7.0320 7.5008 7.5008 10.7633 10.7633 12.0284 12.0284 k = 0.3889 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.5920 -4.5920 2.4048 2.4048 3.3865 3.3865 5.4491 5.4491 5.8608 5.8608 6.2723 6.2723 6.6563 6.6563 6.9817 6.9817 7.5256 7.5256 10.7315 10.7315 12.1272 12.1272 k = 0.3981 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.5537 -4.5537 2.4518 2.4518 3.2951 3.2951 5.5157 5.5157 5.8460 5.8460 6.2593 6.2593 6.6338 6.6338 6.9299 6.9299 7.5496 7.5496 10.7006 10.7006 12.2237 12.2237 k = 0.4074 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.5177 -4.5177 2.4956 2.4956 3.2112 3.2112 5.5825 5.5825 5.8327 5.8327 6.2473 6.2473 6.6108 6.6108 6.8767 6.8767 7.5724 7.5724 10.6711 10.6711 12.3174 12.3174 k = 0.4167 0.5000-0.0000 ( 1468 PWs) bands (ev): -4.4841 -4.4841 2.5355 2.5355 3.1353 3.1353 5.6493 5.6493 5.8208 5.8208 6.2364 6.2364 6.5880 6.5880 6.8221 6.8221 7.5939 7.5939 10.6434 10.6434 12.4075 12.4075 k = 0.4259 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.4533 -4.4533 2.5710 2.5710 3.0682 3.0682 5.7156 5.7156 5.8108 5.8108 6.2266 6.2266 6.5657 6.5657 6.7663 6.7663 7.6137 7.6137 10.6178 10.6178 12.4930 12.4930 k = 0.4352 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.4255 -4.4255 2.6010 2.6010 3.0106 3.0106 5.7764 5.7764 5.8076 5.8076 6.2180 6.2180 6.5445 6.5445 6.7095 6.7095 7.6315 7.6315 10.5946 10.5946 12.5727 12.5727 k = 0.4444 0.5000-0.0000 ( 1476 PWs) bands (ev): -4.4009 -4.4009 2.6246 2.6246 2.9634 2.9634 5.7876 5.7876 5.8546 5.8546 6.2105 6.2105 6.5249 6.5249 6.6518 6.6518 7.6472 7.6472 10.5740 10.5740 12.6456 12.6456 k = 0.4537 0.5000-0.0000 ( 1476 PWs) bands (ev): -4.3797 -4.3797 2.6410 2.6410 2.9272 2.9272 5.7820 5.7820 5.9193 5.9193 6.2044 6.2044 6.5068 6.5068 6.5939 6.5939 7.6608 7.6608 10.5563 10.5563 12.7100 12.7100 k = 0.4630 0.5000-0.0000 ( 1476 PWs) bands (ev): -4.3621 -4.3621 2.6500 2.6500 2.9023 2.9023 5.7767 5.7767 5.9837 5.9837 6.1997 6.1997 6.4892 6.4892 6.5375 6.5375 7.6720 7.6720 10.5417 10.5417 12.7642 12.7642 k = 0.4722 0.5000-0.0000 ( 1476 PWs) bands (ev): -4.3482 -4.3482 2.6528 2.6528 2.8872 2.8872 5.7724 5.7724 6.0461 6.0461 6.1971 6.1971 6.4606 6.4606 6.4950 6.4950 7.6809 7.6809 10.5302 10.5302 12.8061 12.8061 k = 0.4815 0.5000-0.0000 ( 1476 PWs) bands (ev): -4.3382 -4.3382 2.6520 2.6520 2.8793 2.8793 5.7693 5.7693 6.1030 6.1030 6.1981 6.1981 6.4102 6.4102 6.4793 6.4793 7.6872 7.6872 10.5219 10.5219 12.8335 12.8335 k = 0.4907 0.5000-0.0000 ( 1476 PWs) bands (ev): -4.3322 -4.3322 2.6501 2.6501 2.8760 2.8760 5.7673 5.7673 6.1443 6.1443 6.2081 6.2081 6.3606 6.3606 6.4726 6.4726 7.6911 7.6911 10.5170 10.5170 12.8469 12.8469 k = 0.5000 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.3302 -4.3302 2.6493 2.6493 2.8751 2.8751 5.7668 5.7668 6.1572 6.1572 6.2207 6.2207 6.3357 6.3357 6.4705 6.4705 7.6924 7.6924 10.5153 10.5153 12.8506 12.8506 k = 0.5000 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.3302 -4.3302 2.6493 2.6493 2.8751 2.8751 5.7668 5.7668 6.1572 6.1572 6.2207 6.2207 6.3357 6.3357 6.4705 6.4705 7.6924 7.6924 10.5153 10.5153 12.8506 12.8506 k = 0.4934 0.4934-0.0000 ( 1474 PWs) bands (ev): -4.3322 -4.3322 2.6502 2.6502 2.8759 2.8759 5.7674 5.7674 6.1442 6.1442 6.2080 6.2080 6.3609 6.3609 6.4726 6.4726 7.6911 7.6911 10.5170 10.5170 12.8464 12.8464 k = 0.4868 0.4868-0.0000 ( 1476 PWs) bands (ev): -4.3383 -4.3383 2.6529 2.6529 2.8785 2.8785 5.7693 5.7693 6.1030 6.1030 6.1974 6.1974 6.4109 6.4109 6.4794 6.4794 7.6872 7.6872 10.5219 10.5219 12.8267 12.8267 k = 0.4803 0.4803-0.0000 ( 1476 PWs) bands (ev): -4.3485 -4.3485 2.6574 2.6574 2.8827 2.8827 5.7724 5.7724 6.0464 6.0464 6.1953 6.1953 6.4616 6.4616 6.4958 6.4958 7.6808 7.6808 10.5300 10.5300 12.7854 12.7854 k = 0.4737 0.4737-0.0000 ( 1484 PWs) bands (ev): -4.3626 -4.3626 2.6637 2.6637 2.8888 2.8888 5.7766 5.7766 5.9844 5.9844 6.1962 6.1962 6.4898 6.4898 6.5398 6.5398 7.6718 7.6718 10.5410 10.5410 12.7260 12.7260 k = 0.4671 0.4671-0.0000 ( 1484 PWs) bands (ev): -4.3807 -4.3807 2.6717 2.6717 2.8968 2.8968 5.7819 5.7819 5.9205 5.9205 6.1989 6.1989 6.5077 6.5077 6.5976 6.5976 7.6604 7.6604 10.5542 10.5542 12.6534 12.6534 k = 0.4605 0.4605-0.0000 ( 1482 PWs) bands (ev): -4.4027 -4.4027 2.6815 2.6815 2.9068 2.9068 5.7872 5.7872 5.8565 5.8565 6.2027 6.2027 6.5265 6.5265 6.6570 6.6570 7.6468 7.6468 10.5691 10.5691 12.5714 12.5714 k = 0.4539 0.4539-0.0000 ( 1478 PWs) bands (ev): -4.4284 -4.4284 2.6929 2.6929 2.9190 2.9190 5.7773 5.7773 5.8084 5.8084 6.2074 6.2074 6.5473 6.5473 6.7163 6.7163 7.6309 7.6309 10.5846 10.5846 12.4838 12.4838 k = 0.4474 0.4474-0.0000 ( 1478 PWs) bands (ev): -4.4579 -4.4579 2.7061 2.7061 2.9334 2.9334 5.7182 5.7182 5.8102 5.8102 6.2128 6.2128 6.5700 6.5700 6.7748 6.7748 7.6129 7.6129 10.5994 10.5994 12.3945 12.3945 k = 0.4408 0.4408-0.0000 ( 1474 PWs) bands (ev): -4.4908 -4.4908 2.7210 2.7210 2.9502 2.9502 5.6525 5.6525 5.8195 5.8195 6.2190 6.2190 6.5944 6.5944 6.8324 6.8324 7.5930 7.5930 10.6117 10.6117 12.3072 12.3072 k = 0.4342 0.4342-0.0000 ( 1474 PWs) bands (ev): -4.5272 -4.5272 2.7375 2.7375 2.9696 2.9696 5.5859 5.5859 5.8304 5.8304 6.2259 6.2259 6.6200 6.6200 6.8886 6.8886 7.5711 7.5711 10.6190 10.6190 12.2263 12.2263 k = 0.4276 0.4276-0.0000 ( 1474 PWs) bands (ev): -4.5670 -4.5670 2.7558 2.7558 2.9915 2.9915 5.5192 5.5192 5.8426 5.8426 6.2334 6.2334 6.6465 6.6465 6.9435 6.9435 7.5475 7.5475 10.6186 10.6186 12.1560 12.1560 k = 0.4211 0.4211-0.0000 ( 1478 PWs) bands (ev): -4.6098 -4.6098 2.7758 2.7758 3.0162 3.0162 5.4525 5.4525 5.8556 5.8556 6.2416 6.2416 6.6734 6.6734 6.9967 6.9967 7.5221 7.5221 10.6073 10.6073 12.1007 12.1007 k = 0.4145 0.4145-0.0000 ( 1478 PWs) bands (ev): -4.6557 -4.6557 2.7977 2.7977 3.0436 3.0436 5.3858 5.3858 5.8697 5.8697 6.2504 6.2504 6.7003 6.7003 7.0483 7.0483 7.4954 7.4954 10.5824 10.5824 12.0645 12.0645 k = 0.4079 0.4079-0.0000 ( 1478 PWs) bands (ev): -4.7043 -4.7043 2.8214 2.8214 3.0737 3.0737 5.3193 5.3193 5.8846 5.8846 6.2598 6.2598 6.7268 6.7268 7.0979 7.0979 7.4674 7.4674 10.5420 10.5420 12.0500 12.0500 k = 0.4013 0.4013-0.0000 ( 1478 PWs) bands (ev): -4.7557 -4.7557 2.8471 2.8471 3.1066 3.1066 5.2530 5.2530 5.9003 5.9003 6.2699 6.2699 6.7524 6.7524 7.1454 7.1454 7.4382 7.4382 10.4857 10.4857 12.0586 12.0586 k = 0.3947 0.3947-0.0000 ( 1486 PWs) bands (ev): -4.8095 -4.8095 2.8749 2.8749 3.1423 3.1423 5.1869 5.1869 5.9166 5.9166 6.2805 6.2805 6.7768 6.7768 7.1906 7.1906 7.4080 7.4080 10.4147 10.4147 12.0896 12.0896 k = 0.3882 0.3882-0.0000 ( 1486 PWs) bands (ev): -4.8656 -4.8656 2.9047 2.9047 3.1808 3.1808 5.1212 5.1212 5.9336 5.9336 6.2917 6.2917 6.7996 6.7996 7.2335 7.2335 7.3770 7.3770 10.3312 10.3312 12.1413 12.1413 k = 0.3816 0.3816-0.0000 ( 1488 PWs) bands (ev): -4.9239 -4.9239 2.9368 2.9368 3.2219 3.2219 5.0558 5.0558 5.9510 5.9510 6.3034 6.3034 6.8204 6.8204 7.2734 7.2734 7.3458 7.3458 10.2380 10.2380 12.2117 12.2117 k = 0.3750 0.3750-0.0000 ( 1488 PWs) bands (ev): -4.9841 -4.9841 2.9711 2.9711 3.2658 3.2658 4.9909 4.9909 5.9689 5.9689 6.3157 6.3157 6.8389 6.8389 7.3022 7.3022 7.3224 7.3224 10.1377 10.1377 12.2982 12.2982 k = 0.3684 0.3684-0.0000 ( 1488 PWs) bands (ev): -5.0461 -5.0461 3.0078 3.0078 3.3123 3.3123 4.9264 4.9264 5.9870 5.9870 6.3284 6.3284 6.8550 6.8550 7.2773 7.2773 7.3498 7.3498 10.0326 10.0326 12.3989 12.3990 k = 0.3618 0.3618-0.0000 ( 1488 PWs) bands (ev): -5.1097 -5.1097 3.0468 3.0468 3.3613 3.3613 4.8623 4.8623 6.0053 6.0053 6.3417 6.3417 6.8683 6.8683 7.2445 7.2445 7.3817 7.3817 9.9248 9.9248 12.5121 12.5121 k = 0.3553 0.3553-0.0000 ( 1492 PWs) bands (ev): -5.1747 -5.1747 3.0883 3.0883 3.4129 3.4129 4.7988 4.7988 6.0235 6.0235 6.3553 6.3553 6.8785 6.8785 7.2111 7.2111 7.4112 7.4112 9.8160 9.8160 12.6361 12.6361 k = 0.3487 0.3487-0.0000 ( 1492 PWs) bands (ev): -5.2410 -5.2410 3.1322 3.1322 3.4669 3.4669 4.7359 4.7359 6.0415 6.0415 6.3695 6.3695 6.8857 6.8857 7.1775 7.1775 7.4379 7.4379 9.7074 9.7074 12.7698 12.7698 k = 0.3421 0.3421-0.0000 ( 1492 PWs) bands (ev): -5.3083 -5.3083 3.1786 3.1786 3.5232 3.5232 4.6737 4.6737 6.0591 6.0591 6.3840 6.3840 6.8897 6.8897 7.1439 7.1439 7.4618 7.4618 9.6002 9.6002 12.9120 12.9120 k = 0.3355 0.3355-0.0000 ( 1492 PWs) bands (ev): -5.3766 -5.3766 3.2274 3.2274 3.5819 3.5819 4.6122 4.6122 6.0760 6.0760 6.3990 6.3990 6.8904 6.8904 7.1104 7.1104 7.4826 7.4826 9.4953 9.4953 13.0616 13.0616 k = 0.3289 0.3289-0.0000 ( 1492 PWs) bands (ev): -5.4457 -5.4457 3.2787 3.2787 3.6428 3.6428 4.5516 4.5516 6.0919 6.0919 6.4143 6.4143 6.8879 6.8879 7.0773 7.0773 7.5005 7.5005 9.3935 9.3935 13.2173 13.2173 k = 0.3224 0.3224-0.0000 ( 1492 PWs) bands (ev): -5.5153 -5.5153 3.3325 3.3325 3.7057 3.7057 4.4919 4.4919 6.1063 6.1063 6.4299 6.4299 6.8822 6.8822 7.0447 7.0447 7.5154 7.5154 9.2953 9.2953 13.3730 13.3730 k = 0.3158 0.3158-0.0000 ( 1484 PWs) bands (ev): -5.5854 -5.5854 3.3885 3.3885 3.7704 3.7704 4.4335 4.4335 6.1190 6.1190 6.4460 6.4460 6.8736 6.8736 7.0129 7.0129 7.5275 7.5275 9.2014 9.2014 13.4501 13.4501 k = 0.3092 0.3092-0.0000 ( 1484 PWs) bands (ev): -5.6558 -5.6558 3.4468 3.4468 3.8366 3.8366 4.3767 4.3767 6.1292 6.1292 6.4622 6.4622 6.8623 6.8623 6.9820 6.9820 7.5366 7.5366 9.1121 9.1121 13.4655 13.4655 k = 0.3026 0.3026-0.0000 ( 1480 PWs) bands (ev): -5.7264 -5.7264 3.5071 3.5071 3.9037 3.9037 4.3222 4.3222 6.1364 6.1364 6.4787 6.4787 6.8487 6.8487 6.9526 6.9526 7.5430 7.5430 9.0277 9.0277 13.4832 13.4832 k = 0.2961 0.2961-0.0000 ( 1484 PWs) bands (ev): -5.7970 -5.7970 3.5692 3.5692 3.9700 3.9700 4.2719 4.2719 6.1397 6.1397 6.4953 6.4953 6.8332 6.8332 6.9247 6.9247 7.5466 7.5466 8.9485 8.9485 13.5068 13.5068 k = 0.2895 0.2895-0.0000 ( 1484 PWs) bands (ev): -5.8675 -5.8675 3.6326 3.6326 4.0306 4.0306 4.2310 4.2310 6.1386 6.1386 6.5121 6.5121 6.8162 6.8162 6.8991 6.8991 7.5478 7.5478 8.8746 8.8746 13.5366 13.5366 k = 0.2829 0.2829-0.0000 ( 1480 PWs) bands (ev): -5.9378 -5.9378 3.6963 3.6963 4.0684 4.0684 4.2175 4.2175 6.1321 6.1321 6.5291 6.5291 6.7984 6.7984 6.8765 6.8765 7.5465 7.5465 8.8060 8.8060 13.5726 13.5726 k = 0.2763 0.2763-0.0000 ( 1476 PWs) bands (ev): -6.0078 -6.0078 3.7581 3.7581 4.0637 4.0637 4.2534 4.2534 6.1195 6.1195 6.5461 6.5461 6.7796 6.7796 6.8576 6.8576 7.5430 7.5430 8.7427 8.7427 13.6145 13.6145 k = 0.2697 0.2697-0.0000 ( 1480 PWs) bands (ev): -6.0773 -6.0773 3.8116 3.8116 4.0430 4.0430 4.3180 4.3180 6.1004 6.1004 6.5630 6.5630 6.7602 6.7602 6.8432 6.8432 7.5373 7.5373 8.6846 8.6846 13.6624 13.6624 k = 0.2632 0.2632-0.0000 ( 1477 PWs) bands (ev): -6.1463 -6.1463 3.8420 3.8420 4.0401 4.0401 4.3924 4.3924 6.0746 6.0746 6.5797 6.5797 6.7406 6.7406 6.8338 6.8338 7.5298 7.5298 8.6313 8.6313 13.7158 13.7158 k = 0.2566 0.2566-0.0000 ( 1475 PWs) bands (ev): -6.2146 -6.2146 3.8357 3.8357 4.0738 4.0738 4.4710 4.4710 6.0422 6.0422 6.5961 6.5961 6.7213 6.7213 6.8295 6.8295 7.5204 7.5204 8.5828 8.5828 13.7747 13.7747 k = 0.2500 0.2500-0.0000 ( 1471 PWs) bands (ev): -6.2822 -6.2822 3.8048 3.8048 4.1337 4.1337 4.5521 4.5521 6.0035 6.0035 6.6116 6.6116 6.7031 6.7031 6.8300 6.8300 7.5094 7.5094 8.5387 8.5387 13.8388 13.8388 k = 0.2434 0.2434-0.0000 ( 1469 PWs) bands (ev): -6.3489 -6.3489 3.7640 3.7640 4.2055 4.2055 4.6346 4.6346 5.9594 5.9594 6.6252 6.6252 6.6876 6.6876 6.8345 6.8345 7.4971 7.4971 8.4986 8.4986 13.9078 13.9078 k = 0.2368 0.2368-0.0000 ( 1465 PWs) bands (ev): -6.4147 -6.4147 3.7195 3.7195 4.2832 4.2832 4.7181 4.7181 5.9108 5.9108 6.6334 6.6334 6.6787 6.6787 6.8426 6.8426 7.4836 7.4836 8.4623 8.4623 13.9815 13.9815 k = 0.2303 0.2303-0.0000 ( 1465 PWs) bands (ev): -6.4794 -6.4794 3.6737 3.6737 4.3643 4.3643 4.8021 4.8021 5.8584 5.8584 6.6314 6.6314 6.6817 6.6817 6.8537 6.8537 7.4689 7.4689 8.4295 8.4295 14.0597 14.0597 k = 0.2237 0.2237-0.0000 ( 1463 PWs) bands (ev): -6.5431 -6.5431 3.6276 3.6276 4.4476 4.4476 4.8862 4.8862 5.8034 5.8034 6.6231 6.6231 6.6930 6.6930 6.8672 6.8672 7.4532 7.4532 8.3998 8.3998 14.1421 14.1421 k = 0.2171 0.2171-0.0000 ( 1459 PWs) bands (ev): -6.6056 -6.6056 3.5819 3.5819 4.5324 4.5324 4.9699 4.9699 5.7468 5.7468 6.6143 6.6143 6.7072 6.7072 6.8825 6.8825 7.4368 7.4368 8.3730 8.3730 14.2285 14.2285 k = 0.2105 0.2105-0.0000 ( 1459 PWs) bands (ev): -6.6668 -6.6668 3.5367 3.5367 4.6179 4.6179 5.0525 5.0525 5.6896 5.6896 6.6075 6.6075 6.7224 6.7224 6.8993 6.8993 7.4198 7.4198 8.3487 8.3487 14.3187 14.3187 k = 0.2039 0.2039-0.0000 ( 1459 PWs) bands (ev): -6.7268 -6.7268 3.4923 3.4923 4.7031 4.7031 5.1333 5.1333 5.6333 5.6333 6.6038 6.6038 6.7378 6.7378 6.9172 6.9172 7.4023 7.4023 8.3268 8.3268 14.4123 14.4123 k = 0.1974 0.1974-0.0000 ( 1463 PWs) bands (ev): -6.7853 -6.7853 3.4487 3.4487 4.7869 4.7869 5.2115 5.2115 5.5797 5.5797 6.6041 6.6041 6.7533 6.7533 6.9358 6.9358 7.3845 7.3845 8.3069 8.3069 14.5092 14.5092 k = 0.1908 0.1908-0.0000 ( 1459 PWs) bands (ev): -6.8425 -6.8425 3.4062 3.4062 4.8670 4.8670 5.2856 5.2856 5.5318 5.5318 6.6093 6.6093 6.7687 6.7687 6.9550 6.9550 7.3666 7.3666 8.2891 8.2891 14.6091 14.6091 k = 0.1842 0.1842-0.0000 ( 1467 PWs) bands (ev): -6.8981 -6.8981 3.3647 3.3647 4.9397 4.9397 5.3524 5.3524 5.4959 5.4959 6.6201 6.6201 6.7838 6.7838 6.9744 6.9744 7.3485 7.3485 8.2729 8.2729 14.7117 14.7117 k = 0.1776 0.1776-0.0000 ( 1467 PWs) bands (ev): -6.9522 -6.9522 3.3243 3.3243 4.9983 4.9983 5.4027 5.4027 5.4873 5.4873 6.6373 6.6373 6.7988 6.7988 6.9939 6.9939 7.3305 7.3305 8.2585 8.2585 14.8168 14.8168 k = 0.1711 0.1711-0.0000 ( 1469 PWs) bands (ev): -7.0047 -7.0047 3.2851 3.2851 5.0334 5.0334 5.4306 5.4306 5.5204 5.5204 6.6617 6.6617 6.8136 6.8136 7.0132 7.0132 7.3128 7.3128 8.2455 8.2455 14.9242 14.9242 k = 0.1645 0.1645-0.0000 ( 1469 PWs) bands (ev): -7.0556 -7.0556 3.2470 3.2470 5.0391 5.0391 5.4659 5.4659 5.5705 5.5705 6.6938 6.6938 6.8281 6.8281 7.0324 7.0324 7.2955 7.2955 8.2339 8.2339 15.0335 15.0335 k = 0.1579 0.1579-0.0000 ( 1473 PWs) bands (ev): -7.1048 -7.1048 3.2103 3.2103 5.0202 5.0202 5.5194 5.5194 5.6220 5.6220 6.7337 6.7337 6.8424 6.8424 7.0511 7.0511 7.2787 7.2787 8.2237 8.2237 15.1445 15.1445 k = 0.1513 0.1513-0.0000 ( 1469 PWs) bands (ev): -7.1523 -7.1523 3.1748 3.1748 4.9861 4.9861 5.5810 5.5810 5.6750 5.6750 6.7813 6.7813 6.8568 6.8568 7.0692 7.0692 7.2626 7.2626 8.2148 8.2148 15.2569 15.2569 k = 0.1447 0.1447-0.0000 ( 1471 PWs) bands (ev): -7.1980 -7.1980 3.1406 3.1406 4.9441 4.9441 5.6365 5.6365 5.7365 5.7365 6.8342 6.8342 6.8729 6.8729 7.0863 7.0863 7.2476 7.2476 8.2071 8.2071 15.3704 15.3704 k = 0.1382 0.1382-0.0000 ( 1471 PWs) bands (ev): -7.2419 -7.2419 3.1077 3.1077 4.8984 4.8984 5.6776 5.6776 5.8109 5.8109 6.8741 6.8741 6.9083 6.9083 7.1022 7.1022 7.2343 7.2343 8.2006 8.2006 15.4847 15.4847 k = 0.1316 0.1316-0.0000 ( 1471 PWs) bands (ev): -7.2840 -7.2840 3.0762 3.0762 4.8515 4.8515 5.7064 5.7064 5.8942 5.8942 6.8906 6.8906 6.9721 6.9721 7.1162 7.1162 7.2235 7.2235 8.1953 8.1953 15.5993 15.5993 k = 0.1250 0.1250-0.0000 ( 1475 PWs) bands (ev): -7.3242 -7.3242 3.0461 3.0461 4.8045 4.8045 5.7271 5.7271 5.9816 5.9816 6.9034 6.9034 7.0421 7.0421 7.1275 7.1275 7.2171 7.2171 8.1912 8.1912 15.7138 15.7138 k = 0.1184 0.1184-0.0000 ( 1475 PWs) bands (ev): -7.3626 -7.3626 3.0174 3.0174 4.7584 4.7584 5.7421 5.7421 6.0704 6.0704 6.9152 6.9152 7.1064 7.1064 7.1408 7.1408 7.2190 7.2190 8.1884 8.1884 15.8278 15.8278 k = 0.1118 0.1118-0.0000 ( 1477 PWs) bands (ev): -7.3990 -7.3990 2.9901 2.9901 4.7135 4.7135 5.7529 5.7529 6.1590 6.1590 6.9263 6.9263 7.1241 7.1241 7.1821 7.1821 7.2422 7.2422 8.1869 8.1869 15.9404 15.9404 k = 0.1053 0.1053-0.0000 ( 1477 PWs) bands (ev): -7.4334 -7.4334 2.9643 2.9643 4.6704 4.6704 5.7604 5.7604 6.2465 6.2465 6.9368 6.9368 7.1209 7.1209 7.2072 7.2072 7.3041 7.3041 8.1869 8.1869 16.0502 16.0502 k = 0.0987 0.0987-0.0000 ( 1477 PWs) bands (ev): -7.4659 -7.4659 2.9399 2.9399 4.6292 4.6292 5.7654 5.7654 6.3320 6.3320 6.9468 6.9468 7.1139 7.1139 7.2215 7.2215 7.3811 7.3811 8.1884 8.1884 16.1527 16.1527 k = 0.0921 0.0921-0.0000 ( 1469 PWs) bands (ev): -7.4964 -7.4964 2.9170 2.9170 4.5902 4.5902 5.7688 5.7688 6.4148 6.4148 6.9562 6.9562 7.1056 7.1056 7.2341 7.2341 7.4605 7.4605 8.1916 8.1916 16.2146 16.2146 k = 0.0855 0.0855-0.0000 ( 1469 PWs) bands (ev): -7.5249 -7.5249 2.8957 2.8957 4.5534 4.5534 5.7704 5.7704 6.4943 6.4943 6.9652 6.9652 7.0970 7.0970 7.2462 7.2462 7.5389 7.5389 8.1966 8.1966 16.1471 16.1471 k = 0.0789 0.0789-0.0000 ( 1477 PWs) bands (ev): -7.5513 -7.5513 2.8758 2.8758 4.5190 4.5190 5.7709 5.7709 6.5698 6.5698 6.9735 6.9735 7.0886 7.0886 7.2576 7.2576 7.6147 7.6147 8.2038 8.2038 16.0394 16.0394 k = 0.0724 0.0724-0.0000 ( 1477 PWs) bands (ev): -7.5757 -7.5757 2.8575 2.8575 4.4871 4.4871 5.7706 5.7706 6.6405 6.6405 6.9816 6.9816 7.0809 7.0809 7.2685 7.2685 7.6866 7.6866 8.2134 8.2134 15.9299 15.9299 k = 0.0658 0.0658-0.0000 ( 1469 PWs) bands (ev): -7.5980 -7.5980 2.8408 2.8408 4.4578 4.4578 5.7700 5.7700 6.7059 6.7059 6.9896 6.9896 7.0740 7.0740 7.2790 7.2790 7.7532 7.7532 8.2257 8.2257 15.8242 15.8242 k = 0.0592 0.0592-0.0000 ( 1467 PWs) bands (ev): -7.6182 -7.6182 2.8256 2.8256 4.4311 4.4311 5.7689 5.7689 6.7650 6.7650 6.9976 6.9976 7.0681 7.0681 7.2887 7.2887 7.8134 7.8134 8.2409 8.2409 15.7245 15.7245 k = 0.0526 0.0526-0.0000 ( 1475 PWs) bands (ev): -7.6363 -7.6363 2.8119 2.8119 4.4071 4.4071 5.7675 5.7675 6.8168 6.8168 7.0062 7.0062 7.0629 7.0629 7.2975 7.2975 7.8662 7.8662 8.2591 8.2591 15.6320 15.6320 k = 0.0461 0.0461-0.0000 ( 1475 PWs) bands (ev): -7.6524 -7.6524 2.7999 2.7999 4.3858 4.3858 5.7661 5.7661 6.8603 6.8603 7.0161 7.0161 7.0590 7.0590 7.3057 7.3057 7.9111 7.9111 8.2797 8.2797 15.5479 15.5479 k = 0.0395 0.0395-0.0000 ( 1475 PWs) bands (ev): -7.6663 -7.6663 2.7894 2.7894 4.3674 4.3674 5.7646 5.7646 6.8945 6.8945 7.0278 7.0278 7.0562 7.0562 7.3132 7.3132 7.9480 7.9480 8.3021 8.3021 15.4731 15.4731 k = 0.0329 0.0329-0.0000 ( 1475 PWs) bands (ev): -7.6780 -7.6780 2.7806 2.7806 4.3517 4.3517 5.7633 5.7633 6.9190 6.9190 7.0410 7.0410 7.0552 7.0552 7.3198 7.3198 7.9773 7.9773 8.3249 8.3249 15.4084 15.4084 k = 0.0263 0.0263-0.0000 ( 1479 PWs) bands (ev): -7.6877 -7.6877 2.7733 2.7733 4.3388 4.3388 5.7621 5.7621 6.9350 6.9350 7.0487 7.0487 7.0613 7.0613 7.3255 7.3255 7.9998 7.9998 8.3463 8.3463 15.3544 15.3544 k = 0.0197 0.0197-0.0000 ( 1479 PWs) bands (ev): -7.6952 -7.6952 2.7677 2.7677 4.3287 4.3287 5.7612 5.7612 6.9448 6.9448 7.0493 7.0493 7.0742 7.0742 7.3301 7.3301 8.0163 8.0163 8.3649 8.3649 15.3118 15.3118 k = 0.0132 0.0132-0.0000 ( 1479 PWs) bands (ev): -7.7006 -7.7006 2.7636 2.7636 4.3216 4.3216 5.7605 5.7605 6.9505 6.9505 7.0491 7.0491 7.0852 7.0852 7.3336 7.3336 8.0276 8.0276 8.3792 8.3792 15.2811 15.2811 k = 0.0066 0.0066-0.0000 ( 1479 PWs) bands (ev): -7.7038 -7.7038 2.7612 2.7612 4.3173 4.3173 5.7600 5.7600 6.9534 6.9534 7.0490 7.0490 7.0924 7.0924 7.3357 7.3357 8.0342 8.0342 8.3882 8.3882 15.2625 15.2625 k = 0.0000 0.0000 0.0000 ( 1483 PWs) bands (ev): -7.7049 -7.7049 2.7604 2.7604 4.3158 4.3158 5.7597 5.7597 6.9543 6.9543 7.0489 7.0489 7.0948 7.0948 7.3364 7.3364 8.0364 8.0364 8.3912 8.3912 15.2563 15.2563 k = 0.0000 0.0000 0.0000 ( 1483 PWs) bands (ev): -7.7049 -7.7049 2.7604 2.7604 4.3158 4.3158 5.7597 5.7597 6.9543 6.9543 7.0489 7.0489 7.0948 7.0948 7.3364 7.3364 8.0364 8.0364 8.3912 8.3912 15.2563 15.2563 k = 0.0000 0.0000 0.0092 ( 1483 PWs) bands (ev): -7.7046 -7.7046 2.7490 2.7490 4.3281 4.3281 5.7598 5.7598 6.9544 6.9544 7.0481 7.0481 7.0961 7.0961 7.3364 7.3364 8.0380 8.0380 8.3926 8.3926 15.2551 15.2551 k = 0.0000 0.0000 0.0184 ( 1483 PWs) bands (ev): -7.7039 -7.7039 2.7160 2.7160 4.3638 4.3638 5.7599 5.7599 6.9547 6.9547 7.0455 7.0455 7.1004 7.1004 7.3363 7.3363 8.0427 8.0427 8.3965 8.3965 15.2515 15.2515 k = 0.0000 0.0000 0.0276 ( 1491 PWs) bands (ev): -7.7026 -7.7026 2.6643 2.6643 4.4198 4.4198 5.7601 5.7601 6.9543 6.9543 7.0413 7.0413 7.1082 7.1082 7.3362 7.3362 8.0505 8.0505 8.4031 8.4031 15.2454 15.2454 k = 0.0000 0.0000 0.0368 ( 1483 PWs) bands (ev): -7.7009 -7.7009 2.5978 2.5978 4.4921 4.4921 5.7605 5.7605 6.9528 6.9528 7.0357 7.0357 7.1212 7.1212 7.3361 7.3361 8.0613 8.0613 8.4121 8.4121 15.2368 15.2368 k = 0.0000 0.0000 0.0460 ( 1483 PWs) bands (ev): -7.6987 -7.6987 2.5201 2.5201 4.5765 4.5765 5.7609 5.7609 6.9493 6.9493 7.0285 7.0285 7.1403 7.1403 7.3359 7.3359 8.0748 8.0748 8.4235 8.4235 15.2255 15.2255 k = 0.0000 0.0000 0.0552 ( 1479 PWs) bands (ev): -7.6960 -7.6960 2.4347 2.4347 4.6693 4.6693 5.7616 5.7616 6.9434 6.9434 7.0200 7.0200 7.1665 7.1665 7.3357 7.3357 8.0908 8.0908 8.4371 8.4371 15.2113 15.2113 k = 0.0000 0.0000 0.0644 ( 1479 PWs) bands (ev): -7.6929 -7.6929 2.3440 2.3440 4.7674 4.7674 5.7622 5.7622 6.9352 6.9352 7.0103 7.0103 7.2004 7.2004 7.3355 7.3355 8.1091 8.1091 8.4528 8.4528 15.1939 15.1939 k = 0.0000 0.0000 0.0736 ( 1475 PWs) bands (ev): -7.6894 -7.6894 2.2502 2.2502 4.8682 4.8682 5.7628 5.7628 6.9249 6.9249 6.9995 6.9995 7.2426 7.2426 7.3353 7.3353 8.1295 8.1295 8.4702 8.4702 15.1730 15.1730 k = 0.0000 0.0000 0.0828 ( 1475 PWs) bands (ev): -7.6855 -7.6855 2.1547 2.1547 4.9693 4.9693 5.7636 5.7636 6.9130 6.9130 6.9878 6.9878 7.2935 7.2935 7.3350 7.3350 8.1517 8.1517 8.4892 8.4892 15.1481 15.1481 k = 0.0000 0.0000 0.0920 ( 1479 PWs) bands (ev): -7.6813 -7.6813 2.0588 2.0588 5.0690 5.0690 5.7643 5.7643 6.8998 6.8998 6.9753 6.9753 7.3348 7.3348 7.3536 7.3536 8.1754 8.1754 8.5097 8.5097 15.1186 15.1186 k = 0.0000 0.0000 0.1012 ( 1479 PWs) bands (ev): -7.6767 -7.6767 1.9635 1.9635 5.1657 5.1657 5.7652 5.7652 6.8856 6.8856 6.9623 6.9623 7.3346 7.3346 7.4232 7.4232 8.2006 8.2006 8.5313 8.5313 15.0837 15.0837 k = 0.0000 0.0000 0.1104 ( 1471 PWs) bands (ev): -7.6719 -7.6719 1.8694 1.8694 5.2580 5.2580 5.7662 5.7662 6.8708 6.8708 6.9489 6.9489 7.3345 7.3345 7.5026 7.5026 8.2271 8.2271 8.5539 8.5539 15.0424 15.0424 k = 0.0000 0.0000 0.1196 ( 1471 PWs) bands (ev): -7.6668 -7.6668 1.7772 1.7772 5.3450 5.3450 5.7672 5.7672 6.8555 6.8555 6.9351 6.9351 7.3343 7.3343 7.5920 7.5920 8.2547 8.2547 8.5772 8.5772 14.9936 14.9936 k = 0.0000 0.0000 0.1288 ( 1471 PWs) bands (ev): -7.6615 -7.6615 1.6872 1.6872 5.4260 5.4260 5.7681 5.7681 6.8400 6.8400 6.9212 6.9212 7.3341 7.3341 7.6912 7.6912 8.2837 8.2837 8.6011 8.6011 14.9359 14.9359 k = 0.0000 0.0000 0.1380 ( 1463 PWs) bands (ev): -7.6560 -7.6560 1.6000 1.6000 5.5006 5.5006 5.7692 5.7692 6.8246 6.8246 6.9074 6.9074 7.3340 7.3340 7.7996 7.7996 8.3143 8.3143 8.6253 8.6253 14.8679 14.8679 k = 0.0000 0.0000 0.1472 ( 1459 PWs) bands (ev): -7.6504 -7.6504 1.5158 1.5158 5.5685 5.5685 5.7702 5.7702 6.8092 6.8092 6.8936 6.8936 7.3339 7.3339 7.9156 7.9156 8.3475 8.3475 8.6497 8.6497 14.7880 14.7880 k = 0.0000 0.0000 0.1564 ( 1459 PWs) bands (ev): -7.6448 -7.6448 1.4350 1.4350 5.6298 5.6298 5.7712 5.7712 6.7941 6.7941 6.8799 6.8799 7.3338 7.3338 8.0364 8.0364 8.3855 8.3855 8.6739 8.6739 14.6950 14.6950 k = 0.0000 0.0000 0.1657 ( 1467 PWs) bands (ev): -7.6391 -7.6391 1.3577 1.3577 5.6847 5.6847 5.7723 5.7723 6.7793 6.7793 6.8665 6.8665 7.3337 7.3337 8.1554 8.1554 8.4341 8.4341 8.6979 8.6979 14.5880 14.5880 k = 0.0000 0.0000 0.1749 ( 1467 PWs) bands (ev): -7.6335 -7.6335 1.2842 1.2842 5.7336 5.7336 5.7733 5.7733 6.7650 6.7650 6.8535 6.8535 7.3336 7.3336 8.2594 8.2594 8.5056 8.5056 8.7214 8.7214 14.4670 14.4670 k = 0.0000 0.0000 0.1841 ( 1467 PWs) bands (ev): -7.6279 -7.6279 1.2146 1.2146 5.7743 5.7743 5.7769 5.7769 6.7514 6.7514 6.8411 6.8411 7.3335 7.3335 8.3346 8.3346 8.6128 8.6128 8.7443 8.7443 14.3324 14.3324 k = 0.0000 0.0000 0.1933 ( 1467 PWs) bands (ev): -7.6224 -7.6224 1.1492 1.1492 5.7753 5.7753 5.8151 5.8151 6.7384 6.7384 6.8292 6.8292 7.3335 7.3335 8.3844 8.3844 8.7513 8.7513 8.7665 8.7665 14.1853 14.1853 k = 0.0000 0.0000 0.2025 ( 1467 PWs) bands (ev): -7.6172 -7.6172 1.0881 1.0881 5.7762 5.7762 5.8488 5.8488 6.7261 6.7261 6.8179 6.8179 7.3334 7.3334 8.4204 8.4204 8.7877 8.7877 8.9083 8.9083 14.0273 14.0273 k = 0.0000 0.0000 0.2117 ( 1467 PWs) bands (ev): -7.6121 -7.6121 1.0314 1.0314 5.7771 5.7771 5.8782 5.8782 6.7147 6.7147 6.8074 6.8074 7.3334 7.3334 8.4493 8.4493 8.8078 8.8078 9.0763 9.0763 13.8600 13.8600 k = 0.0000 0.0000 0.2209 ( 1468 PWs) bands (ev): -7.6073 -7.6073 0.9792 0.9792 5.7780 5.7780 5.9038 5.9038 6.7041 6.7041 6.7975 6.7975 7.3334 7.3334 8.4738 8.4738 8.8266 8.8266 9.2511 9.2511 13.6853 13.6853 k = 0.0000 0.0000 0.2301 ( 1460 PWs) bands (ev): -7.6028 -7.6028 0.9317 0.9317 5.7789 5.7789 5.9260 5.9260 6.6945 6.6945 6.7886 6.7886 7.3334 7.3334 8.4952 8.4952 8.8441 8.8441 9.4305 9.4305 13.5052 13.5052 k = 0.0000 0.0000 0.2393 ( 1448 PWs) bands (ev): -7.5987 -7.5987 0.8890 0.8890 5.7796 5.7796 5.9454 5.9454 6.6858 6.6858 6.7805 6.7805 7.3335 7.3335 8.5141 8.5141 8.8601 8.8601 9.6125 9.6125 13.3215 13.3215 k = 0.0000 0.0000 0.2485 ( 1448 PWs) bands (ev): -7.5950 -7.5950 0.8511 0.8511 5.7803 5.7803 5.9617 5.9617 6.6780 6.6780 6.7732 6.7732 7.3335 7.3335 8.5306 8.5306 8.8745 8.8745 9.7951 9.7951 13.1364 13.1364 k = 0.0000 0.0000 0.2577 ( 1436 PWs) bands (ev): -7.5917 -7.5917 0.8180 0.8180 5.7810 5.7810 5.9755 5.9755 6.6714 6.6714 6.7670 6.7670 7.3336 7.3336 8.5449 8.5449 8.8873 8.8873 9.9762 9.9762 12.9526 12.9526 k = 0.0000 0.0000 0.2669 ( 1436 PWs) bands (ev): -7.5888 -7.5888 0.7900 0.7900 5.7815 5.7815 5.9868 5.9868 6.6656 6.6656 6.7616 6.7616 7.3336 7.3336 8.5570 8.5570 8.8981 8.8981 10.1527 10.1527 12.7732 12.7732 k = 0.0000 0.0000 0.2761 ( 1436 PWs) bands (ev): -7.5864 -7.5864 0.7670 0.7670 5.7819 5.7819 5.9958 5.9958 6.6608 6.6608 6.7571 6.7571 7.3336 7.3336 8.5669 8.5669 8.9072 8.9072 10.3203 10.3203 12.6029 12.6029 k = 0.0000 0.0000 0.2853 ( 1436 PWs) bands (ev): -7.5845 -7.5845 0.7490 0.7490 5.7822 5.7822 6.0027 6.0027 6.6571 6.6571 6.7536 6.7536 7.3336 7.3336 8.5746 8.5746 8.9142 8.9142 10.4724 10.4724 12.4485 12.4485 k = 0.0000 0.0000 0.2945 ( 1436 PWs) bands (ev): -7.5832 -7.5832 0.7362 0.7362 5.7824 5.7824 6.0076 6.0076 6.6544 6.6544 6.7510 6.7510 7.3336 7.3336 8.5801 8.5801 8.9193 8.9193 10.5988 10.5988 12.3203 12.3203 k = 0.0000 0.0000 0.3037 ( 1436 PWs) bands (ev): -7.5824 -7.5824 0.7284 0.7284 5.7826 5.7826 6.0103 6.0103 6.6529 6.6529 6.7496 6.7496 7.3337 7.3337 8.5835 8.5835 8.9224 8.9224 10.6852 10.6852 12.2328 12.2328 k = 0.0000 0.0000 0.3129 ( 1444 PWs) bands (ev): -7.5821 -7.5821 0.7259 0.7259 5.7826 5.7826 6.0112 6.0112 6.6523 6.6523 6.7491 6.7491 7.3335 7.3335 8.5845 8.5845 8.9234 8.9234 10.7163 10.7163 12.2013 12.2013 k = 0.0000 0.0000 0.3129 ( 1444 PWs) bands (ev): -7.5821 -7.5821 0.7259 0.7259 5.7826 5.7826 6.0112 6.0112 6.6523 6.6523 6.7491 6.7491 7.3335 7.3335 8.5845 8.5845 8.9234 8.9234 10.7163 10.7163 12.2013 12.2013 k = 0.0000 0.0093 0.3129 ( 1436 PWs) bands (ev): -7.5811 -7.5811 0.7272 0.7272 5.7831 5.7831 6.0118 6.0118 6.6512 6.6512 6.7481 6.7481 7.3332 7.3332 8.5794 8.5794 8.9177 8.9177 10.7156 10.7156 12.2071 12.2071 k = 0.0000 0.0185 0.3129 ( 1440 PWs) bands (ev): -7.5780 -7.5780 0.7314 0.7314 5.7843 5.7843 6.0135 6.0135 6.6476 6.6476 6.7454 6.7454 7.3318 7.3318 8.5631 8.5631 8.9020 8.9020 10.7137 10.7137 12.2239 12.2239 k = 0.0000 0.0278 0.3129 ( 1444 PWs) bands (ev): -7.5729 -7.5729 0.7383 0.7383 5.7864 5.7864 6.0163 6.0163 6.6406 6.6406 6.7417 6.7417 7.3295 7.3295 8.5330 8.5330 8.8801 8.8801 10.7105 10.7105 12.2510 12.2510 k = 0.0000 0.0370 0.3129 ( 1444 PWs) bands (ev): -7.5657 -7.5657 0.7480 0.7480 5.7892 5.7892 6.0202 6.0202 6.6291 6.6291 6.7379 6.7379 7.3262 7.3262 8.4862 8.4862 8.8575 8.8575 10.7060 10.7060 12.2870 12.2870 k = 0.0000 0.0463 0.3129 ( 1446 PWs) bands (ev): -7.5565 -7.5565 0.7604 0.7604 5.7927 5.7927 6.0254 6.0254 6.6116 6.6116 6.7351 6.7351 7.3220 7.3220 8.4211 8.4211 8.8385 8.8385 10.7004 10.7004 12.3305 12.3305 k = 0.0000 0.0556 0.3129 ( 1456 PWs) bands (ev): -7.5452 -7.5452 0.7756 0.7756 5.7967 5.7967 6.0317 6.0317 6.5868 6.5868 6.7338 6.7338 7.3169 7.3169 8.3386 8.3386 8.8249 8.8249 10.6935 10.6935 12.3800 12.3800 k = 0.0000 0.0648 0.3129 ( 1456 PWs) bands (ev): -7.5320 -7.5320 0.7935 0.7935 5.8015 5.8015 6.0391 6.0391 6.5541 6.5541 6.7344 6.7344 7.3110 7.3110 8.2424 8.2424 8.8166 8.8166 10.6853 10.6853 12.4342 12.4342 k = 0.0000 0.0741 0.3129 ( 1460 PWs) bands (ev): -7.5167 -7.5167 0.8142 0.8142 5.8067 5.8067 6.0476 6.0476 6.5127 6.5127 6.7366 6.7366 7.3043 7.3043 8.1365 8.1365 8.8126 8.8126 10.6758 10.6758 12.4922 12.4922 k = 0.0000 0.0833 0.3129 ( 1460 PWs) bands (ev): -7.4995 -7.4995 0.8376 0.8376 5.8123 5.8123 6.0570 6.0570 6.4619 6.4619 6.7402 6.7402 7.2968 7.2968 8.0253 8.0253 8.8120 8.8120 10.6650 10.6650 12.5531 12.5531 k = 0.0000 0.0926 0.3129 ( 1460 PWs) bands (ev): -7.4803 -7.4803 0.8637 0.8637 5.8182 5.8182 6.0671 6.0671 6.4013 6.4013 6.7450 6.7450 7.2884 7.2884 7.9124 7.9124 8.8140 8.8140 10.6528 10.6528 12.6164 12.6164 k = 0.0000 0.1019 0.3129 ( 1460 PWs) bands (ev): -7.4592 -7.4592 0.8924 0.8924 5.8242 5.8242 6.0766 6.0766 6.3309 6.3309 6.7508 6.7508 7.2793 7.2793 7.8013 7.8013 8.8181 8.8181 10.6390 10.6390 12.6817 12.6817 k = 0.0000 0.1111 0.3129 ( 1460 PWs) bands (ev): -7.4361 -7.4361 0.9238 0.9238 5.8304 5.8304 6.0821 6.0821 6.2537 6.2537 6.7575 6.7575 7.2695 7.2695 7.6948 7.6948 8.8238 8.8238 10.6235 10.6235 12.7490 12.7490 k = 0.0000 0.1204 0.3129 ( 1464 PWs) bands (ev): -7.4112 -7.4112 0.9579 0.9579 5.8365 5.8365 6.0661 6.0661 6.1863 6.1863 6.7649 6.7649 7.2588 7.2588 7.5949 7.5949 8.8309 8.8309 10.6063 10.6063 12.8180 12.8180 k = 0.0000 0.1296 0.3129 ( 1468 PWs) bands (ev): -7.3845 -7.3845 0.9946 0.9946 5.8426 5.8426 5.9929 5.9929 6.1649 6.1649 6.7729 6.7729 7.2473 7.2473 7.5031 7.5031 8.8392 8.8392 10.5872 10.5872 12.8888 12.8888 k = 0.0000 0.1389 0.3129 ( 1468 PWs) bands (ev): -7.3559 -7.3559 1.0339 1.0339 5.8483 5.8483 5.8803 5.8803 6.1723 6.1723 6.7816 6.7816 7.2349 7.2349 7.4202 7.4202 8.8486 8.8486 10.5661 10.5661 12.9614 12.9614 k = 0.0000 0.1481 0.3129 ( 1474 PWs) bands (ev): -7.3256 -7.3256 1.0758 1.0758 5.7487 5.7487 5.8546 5.8546 6.1880 6.1880 6.7908 6.7908 7.2211 7.2211 7.3463 7.3463 8.8590 8.8590 10.5427 10.5427 13.0359 13.0359 k = 0.0000 0.1574 0.3129 ( 1470 PWs) bands (ev): -7.2936 -7.2936 1.1202 1.1202 5.6060 5.6060 5.8601 5.8601 6.2071 6.2071 6.8004 6.8004 7.2047 7.2047 7.2826 7.2826 8.8703 8.8703 10.5171 10.5171 13.1122 13.1122 k = 0.0000 0.1667 0.3129 ( 1470 PWs) bands (ev): -7.2599 -7.2599 1.1672 1.1672 5.4543 5.4543 5.8655 5.8655 6.2281 6.2281 6.8105 6.8105 7.1803 7.1803 7.2331 7.2331 8.8824 8.8824 10.4890 10.4890 13.1905 13.1905 k = 0.0000 0.1759 0.3129 ( 1472 PWs) bands (ev): -7.2246 -7.2246 1.2166 1.2166 5.2957 5.2957 5.8704 5.8704 6.2505 6.2505 6.8208 6.8208 7.1421 7.1421 7.2031 7.2031 8.8954 8.8954 10.4583 10.4583 13.2707 13.2707 k = 0.0000 0.1852 0.3129 ( 1472 PWs) bands (ev): -7.1877 -7.1877 1.2685 1.2685 5.1319 5.1319 5.8751 5.8751 6.2739 6.2739 6.8315 6.8315 7.0977 7.0977 7.1840 7.1840 8.9090 8.9090 10.4248 10.4248 13.3530 13.3530 k = 0.0000 0.1944 0.3129 ( 1472 PWs) bands (ev): -7.1494 -7.1494 1.3227 1.3227 4.9644 4.9644 5.8793 5.8793 6.2982 6.2982 6.8424 6.8424 7.0544 7.0544 7.1679 7.1679 8.9234 8.9234 10.3885 10.3885 13.4373 13.4373 k = 0.0000 0.2037 0.3129 ( 1474 PWs) bands (ev): -7.1096 -7.1096 1.3793 1.3793 4.7944 4.7944 5.8830 5.8830 6.3230 6.3230 6.8534 6.8534 7.0134 7.0134 7.1528 7.1528 8.9384 8.9384 10.3492 10.3492 13.5236 13.5236 k = 0.0000 0.2130 0.3129 ( 1474 PWs) bands (ev): -7.0685 -7.0685 1.4382 1.4382 4.6229 4.6229 5.8862 5.8862 6.3481 6.3481 6.8643 6.8643 6.9752 6.9752 7.1381 7.1381 8.9539 8.9539 10.3069 10.3069 13.6120 13.6120 k = 0.0000 0.2222 0.3129 ( 1474 PWs) bands (ev): -7.0261 -7.0261 1.4993 1.4993 4.4508 4.4508 5.8889 5.8889 6.3733 6.3733 6.8750 6.8750 6.9397 6.9397 7.1235 7.1235 8.9700 8.9700 10.2615 10.2615 13.7025 13.7025 k = 0.0000 0.2315 0.3129 ( 1466 PWs) bands (ev): -6.9825 -6.9825 1.5626 1.5626 4.2790 4.2790 5.8909 5.8909 6.3985 6.3985 6.8834 6.8834 6.9088 6.9088 7.1093 7.1093 8.9866 8.9866 10.2131 10.2131 13.7950 13.7950 k = 0.0000 0.2407 0.3129 ( 1470 PWs) bands (ev): -6.9379 -6.9379 1.6280 1.6280 4.1079 4.1079 5.8921 5.8921 6.4232 6.4232 6.8692 6.8692 6.9022 6.9022 7.0950 7.0950 9.0036 9.0036 10.1617 10.1617 13.8895 13.8895 k = 0.0000 0.2500 0.3129 ( 1462 PWs) bands (ev): -6.8923 -6.8923 1.6954 1.6954 3.9382 3.9382 5.8926 5.8926 6.4473 6.4473 6.8409 6.8409 6.9115 6.9115 7.0812 7.0812 9.0209 9.0209 10.1076 10.1076 13.9314 13.9314 k = 0.0000 0.2593 0.3129 ( 1458 PWs) bands (ev): -6.8458 -6.8458 1.7647 1.7647 3.7705 3.7705 5.8921 5.8921 6.4705 6.4705 6.8129 6.8129 6.9218 6.9218 7.0677 7.0677 9.0386 9.0386 10.0508 10.0508 13.8085 13.8085 k = 0.0000 0.2685 0.3129 ( 1458 PWs) bands (ev): -6.7986 -6.7986 1.8358 1.8358 3.6052 3.6052 5.8905 5.8905 6.4924 6.4924 6.7864 6.7864 6.9318 6.9318 7.0546 7.0546 9.0564 9.0564 9.9918 9.9918 13.6932 13.6932 k = 0.0000 0.2778 0.3129 ( 1458 PWs) bands (ev): -6.7508 -6.7508 1.9087 1.9087 3.4428 3.4428 5.8878 5.8878 6.5126 6.5126 6.7615 6.7615 6.9412 6.9412 7.0424 7.0424 9.0744 9.0744 9.9309 9.9309 13.5857 13.5857 k = 0.0000 0.2870 0.3129 ( 1458 PWs) bands (ev): -6.7025 -6.7025 1.9830 1.9830 3.2836 3.2836 5.8838 5.8838 6.5308 6.5308 6.7386 6.7386 6.9493 6.9493 7.0315 7.0315 9.0923 9.0923 9.8686 9.8686 13.4858 13.4858 k = 0.0000 0.2963 0.3129 ( 1458 PWs) bands (ev): -6.6539 -6.6539 2.0586 2.0586 3.1282 3.1282 5.8784 5.8784 6.5462 6.5462 6.7179 6.7179 6.9551 6.9551 7.0229 7.0229 9.1102 9.1102 9.8054 9.8054 13.3933 13.3933 k = 0.0000 0.3056 0.3129 ( 1454 PWs) bands (ev): -6.6052 -6.6052 2.1352 2.1352 2.9771 2.9771 5.8714 5.8714 6.5580 6.5580 6.7003 6.7003 6.9575 6.9575 7.0179 7.0179 9.1277 9.1277 9.7420 9.7420 13.3079 13.3079 k = 0.0000 0.3148 0.3129 ( 1458 PWs) bands (ev): -6.5564 -6.5564 2.2121 2.2121 2.8312 2.8312 5.8626 5.8626 6.5652 6.5652 6.6864 6.6864 6.9552 6.9552 7.0176 7.0176 9.1448 9.1448 9.6791 9.6791 13.2295 13.2295 k = 0.0000 0.3241 0.3129 ( 1462 PWs) bands (ev): -6.5079 -6.5079 2.2873 2.2873 2.6924 2.6924 5.8519 5.8519 6.5668 6.5668 6.6769 6.6769 6.9490 6.9490 7.0211 7.0211 9.1612 9.1612 9.6175 9.6175 13.1576 13.1576 k = 0.0000 0.3333 0.3129 ( 1458 PWs) bands (ev): -6.4598 -6.4598 2.3529 2.3529 2.5691 2.5691 5.8390 5.8390 6.5629 6.5629 6.6721 6.6721 6.9406 6.9406 7.0271 7.0271 9.1765 9.1765 9.5581 9.5581 13.0919 13.0919 k = 0.0000 0.3426 0.3129 ( 1456 PWs) bands (ev): -6.4122 -6.4122 2.3542 2.3542 2.5158 2.5158 5.8240 5.8240 6.5545 6.5545 6.6707 6.6707 6.9311 6.9311 7.0342 7.0342 9.1900 9.1900 9.5020 9.5020 13.0320 13.0320 k = 0.0000 0.3519 0.3129 ( 1452 PWs) bands (ev): -6.3655 -6.3655 2.2568 2.2568 2.5671 2.5671 5.8065 5.8065 6.5435 6.5435 6.6709 6.6709 6.9213 6.9213 7.0417 7.0417 9.2007 9.2007 9.4509 9.4509 12.9777 12.9777 k = 0.0000 0.3611 0.3129 ( 1452 PWs) bands (ev): -6.3198 -6.3198 2.1416 2.1416 2.6420 2.6420 5.7864 5.7864 6.5311 6.5311 6.6712 6.6712 6.9114 6.9114 7.0492 7.0492 9.2066 9.2066 9.4072 9.4072 12.9286 12.9286 k = 0.0000 0.3704 0.3129 ( 1448 PWs) bands (ev): -6.2754 -6.2754 2.0279 2.0279 2.7213 2.7213 5.7637 5.7637 6.5182 6.5182 6.6711 6.6711 6.9020 6.9020 7.0566 7.0566 9.2046 9.2046 9.3741 9.3741 12.8842 12.8842 k = 0.0000 0.3796 0.3129 ( 1450 PWs) bands (ev): -6.2325 -6.2325 1.9190 1.9190 2.8016 2.8016 5.7383 5.7383 6.5054 6.5054 6.6700 6.6700 6.8928 6.8928 7.0637 7.0637 9.1922 9.1922 9.3546 9.3546 12.8443 12.8443 k = 0.0000 0.3889 0.3129 ( 1454 PWs) bands (ev): -6.1914 -6.1914 1.8160 1.8160 2.8817 2.8817 5.7103 5.7103 6.4931 6.4931 6.6679 6.6679 6.8840 6.8840 7.0705 7.0705 9.1703 9.1703 9.3477 9.3477 12.8085 12.8085 k = 0.0000 0.3981 0.3129 ( 1454 PWs) bands (ev): -6.1524 -6.1524 1.7196 1.7196 2.9607 2.9607 5.6800 5.6800 6.4815 6.4815 6.6649 6.6649 6.8758 6.8758 7.0768 7.0768 9.1435 9.1435 9.3492 9.3492 12.7767 12.7767 k = 0.0000 0.4074 0.3129 ( 1458 PWs) bands (ev): -6.1156 -6.1156 1.6301 1.6301 3.0378 3.0378 5.6475 5.6475 6.4707 6.4707 6.6612 6.6612 6.8682 6.8682 7.0827 7.0827 9.1158 9.1158 9.3548 9.3548 12.7484 12.7484 k = 0.0000 0.4167 0.3129 ( 1458 PWs) bands (ev): -6.0813 -6.0813 1.5481 1.5481 3.1124 3.1124 5.6136 5.6136 6.4608 6.4608 6.6570 6.6570 6.8613 6.8613 7.0881 7.0881 9.0894 9.0894 9.3622 9.3622 12.7235 12.7235 k = 0.0000 0.4259 0.3129 ( 1454 PWs) bands (ev): -6.0499 -6.0499 1.4737 1.4737 3.1836 3.1836 5.5788 5.5788 6.4519 6.4519 6.6526 6.6526 6.8552 6.8552 7.0930 7.0930 9.0655 9.0655 9.3702 9.3702 12.7018 12.7018 k = 0.0000 0.4352 0.3129 ( 1454 PWs) bands (ev): -6.0215 -6.0215 1.4073 1.4073 3.2504 3.2504 5.5439 5.5439 6.4439 6.4439 6.6481 6.6481 6.8496 6.8496 7.0973 7.0973 9.0444 9.0444 9.3781 9.3781 12.6831 12.6831 k = 0.0000 0.4444 0.3129 ( 1454 PWs) bands (ev): -5.9963 -5.9963 1.3492 1.3492 3.3119 3.3119 5.5100 5.5100 6.4369 6.4369 6.6438 6.6438 6.8448 6.8448 7.1011 7.1011 9.0264 9.0264 9.3854 9.3854 12.6672 12.6672 k = 0.0000 0.4537 0.3129 ( 1454 PWs) bands (ev): -5.9747 -5.9747 1.2996 1.2996 3.3669 3.3669 5.4781 5.4781 6.4309 6.4309 6.6399 6.6399 6.8406 6.8406 7.1043 7.1043 9.0115 9.0115 9.3919 9.3919 12.6539 12.6539 k = 0.0000 0.4630 0.3129 ( 1464 PWs) bands (ev): -5.9567 -5.9567 1.2587 1.2587 3.4142 3.4142 5.4495 5.4495 6.4259 6.4259 6.6364 6.6364 6.8371 6.8371 7.1069 7.1069 8.9994 8.9994 9.3974 9.3974 12.6432 12.6432 k = 0.0000 0.4722 0.3129 ( 1464 PWs) bands (ev): -5.9425 -5.9425 1.2267 1.2267 3.4526 3.4526 5.4256 5.4256 6.4221 6.4221 6.6337 6.6337 6.8344 6.8344 7.1090 7.1090 8.9902 8.9902 9.4017 9.4017 12.6350 12.6350 k = 0.0000 0.4815 0.3129 ( 1460 PWs) bands (ev): -5.9323 -5.9323 1.2038 1.2038 3.4810 3.4810 5.4076 5.4076 6.4194 6.4194 6.6316 6.6316 6.8326 6.8326 7.1105 7.1105 8.9838 8.9838 9.4049 9.4049 12.6292 12.6292 k = 0.0000 0.4907 0.3129 ( 1464 PWs) bands (ev): -5.9261 -5.9261 1.1899 1.1899 3.4985 3.4985 5.3963 5.3963 6.4178 6.4178 6.6304 6.6304 6.8313 6.8313 7.1114 7.1114 8.9800 8.9800 9.4068 9.4068 12.6257 12.6257 k = 0.0000 0.5000 0.3129 ( 1464 PWs) bands (ev): -5.9240 -5.9240 1.1853 1.1853 3.5044 3.5044 5.3924 5.3924 6.4172 6.4172 6.6299 6.6299 6.8309 6.8309 7.1117 7.1117 8.9787 8.9787 9.4075 9.4075 12.6245 12.6245 k = 0.0000 0.5000 0.3129 ( 1464 PWs) bands (ev): -5.9240 -5.9240 1.1853 1.1853 3.5044 3.5044 5.3924 5.3924 6.4172 6.4172 6.6299 6.6299 6.8309 6.8309 7.1117 7.1117 8.9787 8.9787 9.4075 9.4075 12.6245 12.6245 k = 0.0093 0.5000 0.3129 ( 1460 PWs) bands (ev): -5.9230 -5.9230 1.1863 1.1863 3.5051 3.5051 5.3941 5.3941 6.4168 6.4168 6.6302 6.6302 6.8309 6.8309 7.1113 7.1113 8.9790 8.9790 9.3991 9.3991 12.6247 12.6247 k = 0.0185 0.5000 0.3129 ( 1456 PWs) bands (ev): -5.9199 -5.9199 1.1891 1.1891 3.5072 3.5072 5.3988 5.3988 6.4156 6.4156 6.6309 6.6309 6.8310 6.8310 7.1103 7.1103 8.9799 8.9799 9.3743 9.3743 12.6252 12.6252 k = 0.0278 0.5000 0.3129 ( 1456 PWs) bands (ev): -5.9148 -5.9148 1.1939 1.1939 3.5108 3.5108 5.4067 5.4067 6.4135 6.4135 6.6320 6.6320 6.8310 6.8310 7.1086 7.1086 8.9813 8.9813 9.3334 9.3334 12.6261 12.6261 k = 0.0370 0.5000 0.3129 ( 1452 PWs) bands (ev): -5.9076 -5.9076 1.2006 1.2006 3.5158 3.5158 5.4176 5.4176 6.4106 6.4106 6.6336 6.6336 6.8311 6.8311 7.1063 7.1063 8.9834 8.9834 9.2774 9.2774 12.6272 12.6272 k = 0.0463 0.5000 0.3129 ( 1448 PWs) bands (ev): -5.8984 -5.8984 1.2092 1.2092 3.5222 3.5222 5.4317 5.4317 6.4065 6.4065 6.6356 6.6356 6.8311 6.8311 7.1033 7.1033 8.9859 8.9859 9.2071 9.2071 12.6284 12.6284 k = 0.0556 0.5000 0.3129 ( 1448 PWs) bands (ev): -5.8872 -5.8872 1.2196 1.2196 3.5299 3.5299 5.4489 5.4489 6.4013 6.4013 6.6381 6.6381 6.8312 6.8312 7.0996 7.0996 8.9891 8.9891 9.1239 9.1239 12.6298 12.6298 k = 0.0648 0.5000 0.3129 ( 1460 PWs) bands (ev): -5.8740 -5.8740 1.2319 1.2319 3.5390 3.5390 5.4689 5.4689 6.3946 6.3946 6.6408 6.6408 6.8313 6.8313 7.0952 7.0952 8.9921 8.9921 9.0297 9.0297 12.6311 12.6311 k = 0.0741 0.5000 0.3129 ( 1464 PWs) bands (ev): -5.8588 -5.8588 1.2460 1.2460 3.5494 3.5494 5.4922 5.4922 6.3864 6.3864 6.6440 6.6440 6.8317 6.8317 7.0904 7.0904 8.9235 8.9235 8.9979 8.9979 12.6321 12.6321 k = 0.0833 0.5000 0.3129 ( 1464 PWs) bands (ev): -5.8415 -5.8415 1.2620 1.2620 3.5611 3.5611 5.5184 5.5184 6.3763 6.3763 6.6476 6.6476 6.8322 6.8322 7.0850 7.0850 8.8104 8.8104 9.0027 9.0027 12.6328 12.6328 k = 0.0926 0.5000 0.3129 ( 1468 PWs) bands (ev): -5.8224 -5.8224 1.2798 1.2798 3.5741 3.5741 5.5477 5.5477 6.3640 6.3640 6.6516 6.6516 6.8328 6.8328 7.0792 7.0792 8.6902 8.6902 9.0083 9.0083 12.6328 12.6328 k = 0.1019 0.5000 0.3129 ( 1468 PWs) bands (ev): -5.8013 -5.8013 1.2993 1.2993 3.5882 3.5882 5.5798 5.5798 6.3489 6.3489 6.6561 6.6561 6.8340 6.8340 7.0729 7.0729 8.5648 8.5648 9.0147 9.0147 12.6320 12.6320 k = 0.1111 0.5000 0.3129 ( 1468 PWs) bands (ev): -5.7783 -5.7783 1.3206 1.3206 3.6035 3.6035 5.6148 5.6148 6.3306 6.3306 6.6610 6.6610 6.8355 6.8355 7.0662 7.0662 8.4359 8.4359 9.0217 9.0217 12.6300 12.6300 k = 0.1204 0.5000 0.3129 ( 1468 PWs) bands (ev): -5.7534 -5.7534 1.3435 1.3435 3.6199 3.6199 5.6527 5.6527 6.3082 6.3082 6.6662 6.6662 6.8376 6.8376 7.0592 7.0592 8.3051 8.3051 9.0295 9.0295 12.6266 12.6266 k = 0.1296 0.5000 0.3129 ( 1468 PWs) bands (ev): -5.7267 -5.7267 1.3682 1.3682 3.6374 3.6374 5.6933 5.6933 6.2810 6.2810 6.6717 6.6717 6.8402 6.8402 7.0520 7.0520 8.1744 8.1744 9.0380 9.0380 12.6215 12.6215 k = 0.1389 0.5000 0.3129 ( 1468 PWs) bands (ev): -5.6982 -5.6982 1.3944 1.3944 3.6558 3.6558 5.7366 5.7366 6.2480 6.2480 6.6776 6.6776 6.8435 6.8435 7.0444 7.0444 8.0456 8.0456 9.0472 9.0472 12.6143 12.6143 k = 0.1481 0.5000 0.3129 ( 1472 PWs) bands (ev): -5.6679 -5.6679 1.4222 1.4222 3.6751 3.6751 5.7824 5.7824 6.2082 6.2082 6.6837 6.6837 6.8475 6.8475 7.0367 7.0367 7.9205 7.9205 9.0573 9.0573 12.6047 12.6047 k = 0.1574 0.5000 0.3129 ( 1472 PWs) bands (ev): -5.6359 -5.6359 1.4515 1.4515 3.6953 3.6953 5.8307 5.8307 6.1604 6.1604 6.6902 6.6902 6.8524 6.8524 7.0289 7.0289 7.8012 7.8012 9.0682 9.0682 12.5923 12.5923 k = 0.1667 0.5000 0.3129 ( 1476 PWs) bands (ev): -5.6023 -5.6023 1.4823 1.4823 3.7162 3.7162 5.8812 5.8812 6.1035 6.1035 6.6968 6.6968 6.8581 6.8581 7.0211 7.0211 7.6894 7.6894 9.0799 9.0799 12.5768 12.5768 k = 0.1759 0.5000 0.3129 ( 1480 PWs) bands (ev): -5.5670 -5.5670 1.5145 1.5145 3.7378 3.7378 5.9333 5.9333 6.0372 6.0372 6.7036 6.7036 6.8648 6.8648 7.0134 7.0134 7.5868 7.5868 9.0926 9.0926 12.5577 12.5577 k = 0.1852 0.5000 0.3129 ( 1480 PWs) bands (ev): -5.5302 -5.5302 1.5480 1.5480 3.7600 3.7600 5.9511 5.9511 5.9965 5.9965 6.7106 6.7106 6.8728 6.8728 7.0058 7.0058 7.4945 7.4945 9.1063 9.1063 12.5348 12.5348 k = 0.1944 0.5000 0.3129 ( 1484 PWs) bands (ev): -5.4918 -5.4918 1.5828 1.5828 3.7827 3.7827 5.8661 5.8661 6.0497 6.0497 6.7177 6.7177 6.8820 6.8820 6.9983 6.9983 7.4133 7.4133 9.1210 9.1210 12.5077 12.5077 k = 0.2037 0.5000 0.3129 ( 1480 PWs) bands (ev): -5.4521 -5.4521 1.6188 1.6188 3.8058 3.8058 5.7666 5.7666 6.1087 6.1087 6.7250 6.7250 6.8924 6.8924 6.9915 6.9915 7.3431 7.3431 9.1368 9.1368 12.4761 12.4761 k = 0.2130 0.5000 0.3129 ( 1480 PWs) bands (ev): -5.4110 -5.4110 1.6559 1.6559 3.8291 3.8291 5.6569 5.6569 6.1698 6.1698 6.7324 6.7324 6.9041 6.9041 6.9851 6.9851 7.2836 7.2836 9.1538 9.1538 12.4398 12.4398 k = 0.2222 0.5000 0.3129 ( 1480 PWs) bands (ev): -5.3686 -5.3686 1.6939 1.6939 3.8527 3.8527 5.5387 5.5387 6.2326 6.2326 6.7399 6.7399 6.9171 6.9171 6.9795 6.9795 7.2337 7.2337 9.1720 9.1720 12.3986 12.3986 k = 0.2315 0.5000 0.3129 ( 1484 PWs) bands (ev): -5.3251 -5.3251 1.7329 1.7329 3.8763 3.8763 5.4135 5.4135 6.2969 6.2969 6.7472 6.7472 6.9308 6.9308 6.9752 6.9752 7.1924 7.1924 9.1915 9.1915 12.3522 12.3522 k = 0.2407 0.5000 0.3129 ( 1492 PWs) bands (ev): -5.2805 -5.2805 1.7727 1.7727 3.8999 3.8999 5.2828 5.2828 6.3625 6.3625 6.7546 6.7546 6.9433 6.9433 6.9743 6.9743 7.1584 7.1584 9.2125 9.2125 12.3008 12.3008 k = 0.2500 0.5000 0.3129 ( 1492 PWs) bands (ev): -5.2349 -5.2349 1.8132 1.8132 3.9233 3.9233 5.1482 5.1482 6.4291 6.4291 6.7619 6.7619 6.9502 6.9502 6.9818 6.9818 7.1308 7.1308 9.2350 9.2350 12.2442 12.2442 k = 0.2593 0.5000 0.3129 ( 1492 PWs) bands (ev): -5.1884 -5.1884 1.8543 1.8543 3.9463 3.9463 5.0111 5.0111 6.4964 6.4964 6.7692 6.7692 6.9509 6.9509 6.9982 6.9982 7.1085 7.1085 9.2592 9.2592 12.1825 12.1825 k = 0.2685 0.5000 0.3129 ( 1492 PWs) bands (ev): -5.1412 -5.1412 1.8958 1.8958 3.9688 3.9688 4.8727 4.8727 6.5642 6.5642 6.7763 6.7763 6.9497 6.9497 7.0190 7.0190 7.0908 7.0908 9.2852 9.2852 12.1159 12.1159 k = 0.2778 0.5000 0.3129 ( 1492 PWs) bands (ev): -5.0934 -5.0934 1.9377 1.9377 3.9906 3.9906 4.7341 4.7341 6.6320 6.6320 6.7833 6.7833 6.9485 6.9485 7.0417 7.0417 7.0781 7.0781 9.3130 9.3130 12.0447 12.0447 k = 0.2870 0.5000 0.3129 ( 1492 PWs) bands (ev): -5.0451 -5.0451 1.9797 1.9797 4.0111 4.0111 4.5967 4.5967 6.6992 6.6992 6.7903 6.7903 6.9483 6.9483 7.0557 7.0557 7.0793 7.0793 9.3428 9.3428 11.9692 11.9692 k = 0.2963 0.5000 0.3129 ( 1496 PWs) bands (ev): -4.9965 -4.9965 2.0218 2.0218 4.0295 4.0295 4.4620 4.4620 6.7645 6.7645 6.7979 6.7979 6.9496 6.9496 7.0512 7.0512 7.1038 7.1038 9.3748 9.3748 11.8896 11.8896 k = 0.3056 0.5000 0.3129 ( 1500 PWs) bands (ev): -4.9477 -4.9477 2.0638 2.0638 4.0433 4.0433 4.3331 4.3331 6.8010 6.8010 6.8312 6.8312 6.9535 6.9535 7.0451 7.0451 7.1345 7.1345 9.4091 9.4091 11.8065 11.8065 k = 0.3148 0.5000 0.3129 ( 1496 PWs) bands (ev): -4.8989 -4.8989 2.1054 2.1054 4.0430 4.0430 4.2202 4.2202 6.8085 6.8085 6.8858 6.8858 6.9648 6.9648 7.0406 7.0406 7.1681 7.1681 9.4457 9.4457 11.7203 11.7203 k = 0.3241 0.5000 0.3129 ( 1492 PWs) bands (ev): -4.8503 -4.8503 2.1466 2.1466 3.9949 3.9949 4.1572 4.1572 6.8149 6.8149 6.9207 6.9207 6.9945 6.9945 7.0390 7.0390 7.2042 7.2042 9.4849 9.4849 11.6315 11.6315 k = 0.3333 0.5000 0.3129 ( 1492 PWs) bands (ev): -4.8021 -4.8021 2.1872 2.1872 3.8942 3.8942 4.1496 4.1496 6.8210 6.8210 6.9349 6.9349 7.0243 7.0243 7.0580 7.0580 7.2424 7.2424 9.5266 9.5266 11.5403 11.5403 k = 0.3426 0.5000 0.3129 ( 1496 PWs) bands (ev): -4.7545 -4.7545 2.2269 2.2269 3.7797 3.7797 4.1588 4.1588 6.8270 6.8270 6.9423 6.9423 7.0271 7.0271 7.1105 7.1105 7.2826 7.2826 9.5709 9.5709 11.4340 11.4340 k = 0.3519 0.5000 0.3129 ( 1496 PWs) bands (ev): -4.7077 -4.7077 2.2655 2.2655 3.6649 3.6649 4.1720 4.1720 6.8329 6.8329 6.9481 6.9481 7.0268 7.0268 7.1668 7.1668 7.3246 7.3246 9.6178 9.6178 11.2962 11.2962 k = 0.3611 0.5000 0.3129 ( 1496 PWs) bands (ev): -4.6619 -4.6619 2.3028 2.3028 3.5531 3.5531 4.1861 4.1861 6.8388 6.8388 6.9536 6.9536 7.0265 7.0265 7.2222 7.2222 7.3681 7.3681 9.6672 9.6672 11.1625 11.1625 k = 0.3704 0.5000 0.3129 ( 1500 PWs) bands (ev): -4.6174 -4.6174 2.3387 2.3387 3.4459 3.4459 4.2000 4.2000 6.8446 6.8446 6.9592 6.9592 7.0266 7.0266 7.2755 7.2755 7.4126 7.4126 9.7190 9.7190 11.0347 11.0347 k = 0.3796 0.5000 0.3129 ( 1496 PWs) bands (ev): -4.5744 -4.5744 2.3727 2.3727 3.3440 3.3440 4.2134 4.2134 6.8503 6.8503 6.9650 6.9650 7.0271 7.0271 7.3266 7.3266 7.4577 7.4577 9.7730 9.7730 10.9132 10.9132 k = 0.3889 0.5000 0.3129 ( 1492 PWs) bands (ev): -4.5332 -4.5332 2.4047 2.4047 3.2481 3.2481 4.2260 4.2260 6.8559 6.8559 6.9710 6.9710 7.0280 7.0280 7.3751 7.3751 7.5028 7.5028 9.8289 9.8289 10.7984 10.7984 k = 0.3981 0.5000 0.3129 ( 1496 PWs) bands (ev): -4.4940 -4.4940 2.4344 2.4344 3.1588 3.1588 4.2377 4.2377 6.8613 6.8613 6.9772 6.9772 7.0290 7.0290 7.4207 7.4207 7.5473 7.5473 9.8861 9.8861 10.6907 10.6907 k = 0.4074 0.5000 0.3129 ( 1492 PWs) bands (ev): -4.4571 -4.4571 2.4614 2.4614 3.0767 3.0767 4.2485 4.2485 6.8664 6.8664 6.9834 6.9834 7.0303 7.0303 7.4635 7.4635 7.5908 7.5908 9.9440 9.9440 10.5905 10.5905 k = 0.4167 0.5000 0.3129 ( 1488 PWs) bands (ev): -4.4227 -4.4227 2.4852 2.4852 3.0023 3.0023 4.2583 4.2583 6.8713 6.8713 6.9897 6.9897 7.0318 7.0318 7.5032 7.5032 7.6330 7.6330 10.0019 10.0019 10.4982 10.4982 k = 0.4259 0.5000 0.3129 ( 1484 PWs) bands (ev): -4.3911 -4.3911 2.5054 2.5054 2.9364 2.9364 4.2671 4.2671 6.8758 6.8758 6.9958 6.9958 7.0335 7.0335 7.5392 7.5392 7.6732 7.6732 10.0587 10.0587 10.4143 10.4143 k = 0.4352 0.5000 0.3129 ( 1476 PWs) bands (ev): -4.3626 -4.3626 2.5214 2.5214 2.8797 2.8797 4.2748 4.2748 6.8800 6.8800 7.0016 7.0016 7.0353 7.0353 7.5715 7.5715 7.7110 7.7110 10.1131 10.1131 10.3395 10.3395 k = 0.4444 0.5000 0.3129 ( 1476 PWs) bands (ev): -4.3374 -4.3374 2.5325 2.5325 2.8330 2.8330 4.2816 4.2816 6.8836 6.8836 7.0067 7.0067 7.0373 7.0373 7.5996 7.5996 7.7458 7.7458 10.1627 10.1627 10.2750 10.2750 k = 0.4537 0.5000 0.3129 ( 1476 PWs) bands (ev): -4.3156 -4.3156 2.5383 2.5383 2.7968 2.7968 4.2872 4.2872 6.8867 6.8867 7.0111 7.0111 7.0394 7.0394 7.6235 7.6235 7.7770 7.7770 10.1930 10.1930 10.2344 10.2344 k = 0.4630 0.5000 0.3129 ( 1476 PWs) bands (ev): -4.2975 -4.2975 2.5392 2.5392 2.7709 2.7709 4.2919 4.2919 6.8892 6.8892 7.0146 7.0146 7.0415 7.0415 7.6432 7.6432 7.8038 7.8038 10.1620 10.1620 10.2580 10.2580 k = 0.4722 0.5000 0.3129 ( 1472 PWs) bands (ev): -4.2833 -4.2833 2.5364 2.5364 2.7541 2.7541 4.2955 4.2955 6.8913 6.8913 7.0173 7.0173 7.0434 7.0434 7.6585 7.6585 7.8257 7.8257 10.1269 10.1269 10.2867 10.2867 k = 0.4815 0.5000 0.3129 ( 1468 PWs) bands (ev): -4.2730 -4.2730 2.5321 2.5321 2.7444 2.7444 4.2981 4.2981 6.8928 6.8928 7.0192 7.0192 7.0450 7.0450 7.6695 7.6695 7.8418 7.8418 10.1008 10.1008 10.3044 10.3044 k = 0.4907 0.5000 0.3129 ( 1464 PWs) bands (ev): -4.2668 -4.2668 2.5285 2.5285 2.7395 2.7395 4.2997 4.2997 6.8937 6.8937 7.0203 7.0203 7.0461 7.0461 7.6761 7.6761 7.8518 7.8518 10.0849 10.0849 10.3098 10.3098 k = 0.5000 0.5000 0.3129 ( 1464 PWs) bands (ev): -4.2647 -4.2647 2.5272 2.5272 2.7381 2.7381 4.3002 4.3002 6.8940 6.8940 7.0207 7.0207 7.0464 7.0464 7.6783 7.6783 7.8551 7.8551 10.0796 10.0796 10.3101 10.3101 k = 0.5000 0.5000 0.3129 ( 1464 PWs) bands (ev): -4.2647 -4.2647 2.5272 2.5272 2.7381 2.7381 4.3002 4.3002 6.8940 6.8940 7.0207 7.0207 7.0464 7.0464 7.6783 7.6783 7.8551 7.8551 10.0796 10.0796 10.3101 10.3101 k = 0.4934 0.4934 0.3129 ( 1464 PWs) bands (ev): -4.2668 -4.2668 2.5286 2.5286 2.7395 2.7395 4.2997 4.2997 6.8937 6.8937 7.0203 7.0203 7.0461 7.0461 7.6761 7.6761 7.8517 7.8517 10.0850 10.0850 10.3101 10.3101 k = 0.4868 0.4868 0.3129 ( 1470 PWs) bands (ev): -4.2731 -4.2731 2.5329 2.5329 2.7438 2.7438 4.2980 4.2980 6.8927 6.8927 7.0191 7.0191 7.0451 7.0451 7.6694 7.6694 7.8416 7.8416 10.1010 10.1010 10.3085 10.3085 k = 0.4803 0.4803 0.3129 ( 1474 PWs) bands (ev): -4.2835 -4.2835 2.5400 2.5400 2.7509 2.7509 4.2954 4.2954 6.8912 6.8912 7.0167 7.0167 7.0439 7.0439 7.6585 7.6585 7.8250 7.8250 10.1276 10.1276 10.3015 10.3015 k = 0.4737 0.4737 0.3129 ( 1478 PWs) bands (ev): -4.2981 -4.2981 2.5499 2.5499 2.7608 2.7608 4.2915 4.2915 6.8889 6.8889 7.0129 7.0129 7.0430 7.0430 7.6433 7.6433 7.8023 7.8023 10.1643 10.1643 10.2877 10.2877 k = 0.4671 0.4671 0.3129 ( 1478 PWs) bands (ev): -4.3166 -4.3166 2.5627 2.5627 2.7735 2.7735 4.2864 4.2864 6.8860 6.8860 7.0075 7.0075 7.0428 7.0428 7.6242 7.6242 7.7739 7.7739 10.2092 10.2092 10.2700 10.2700 k = 0.4605 0.4605 0.3129 ( 1478 PWs) bands (ev): -4.3391 -4.3391 2.5782 2.5782 2.7891 2.7891 4.2800 4.2800 6.8822 6.8822 7.0005 7.0005 7.0433 7.0433 7.6010 7.6010 7.7404 7.7404 10.2336 10.2336 10.2789 10.2789 k = 0.4539 0.4539 0.3129 ( 1482 PWs) bands (ev): -4.3654 -4.3654 2.5965 2.5965 2.8075 2.8075 4.2720 4.2720 6.8775 6.8775 6.9920 6.9920 7.0445 7.0445 7.5740 7.5740 7.7026 7.7026 10.2121 10.2121 10.3411 10.3411 k = 0.4474 0.4474 0.3129 ( 1482 PWs) bands (ev): -4.3955 -4.3955 2.6175 2.6175 2.8287 2.8287 4.2624 4.2624 6.8718 6.8718 6.9825 6.9825 7.0465 7.0465 7.5432 7.5432 7.6615 7.6615 10.1855 10.1855 10.4165 10.4165 k = 0.4408 0.4408 0.3129 ( 1490 PWs) bands (ev): -4.4291 -4.4291 2.6411 2.6411 2.8528 2.8528 4.2508 4.2508 6.8651 6.8651 6.9721 6.9721 7.0490 7.0490 7.5087 7.5087 7.6179 7.6179 10.1581 10.1581 10.5009 10.5009 k = 0.4342 0.4342 0.3129 ( 1498 PWs) bands (ev): -4.4661 -4.4661 2.6674 2.6674 2.8796 2.8796 4.2373 4.2373 6.8573 6.8573 6.9608 6.9608 7.0519 7.0519 7.4705 7.4705 7.5733 7.5733 10.1311 10.1311 10.5928 10.5928 k = 0.4276 0.4276 0.3129 ( 1498 PWs) bands (ev): -4.5065 -4.5065 2.6963 2.6963 2.9092 2.9092 4.2214 4.2214 6.8485 6.8485 6.9489 6.9489 7.0555 7.0555 7.4291 7.4291 7.5284 7.5284 10.1052 10.1052 10.6871 10.6871 k = 0.4211 0.4211 0.3129 ( 1502 PWs) bands (ev): -4.5499 -4.5499 2.7278 2.7278 2.9416 2.9416 4.2030 4.2030 6.8386 6.8386 6.9361 6.9361 7.0595 7.0595 7.3851 7.3851 7.4839 7.4839 10.0809 10.0809 10.7693 10.7693 k = 0.4145 0.4145 0.3129 ( 1502 PWs) bands (ev): -4.5963 -4.5963 2.7618 2.7618 2.9767 2.9767 4.1819 4.1819 6.8278 6.8278 6.9224 6.9224 7.0639 7.0639 7.3395 7.3395 7.4401 7.4401 10.0583 10.0583 10.8430 10.8430 k = 0.4079 0.4079 0.3129 ( 1502 PWs) bands (ev): -4.6454 -4.6454 2.7983 2.7983 3.0146 3.0146 4.1577 4.1577 6.8160 6.8160 6.9077 6.9077 7.0688 7.0688 7.2937 7.2937 7.3971 7.3971 10.0377 10.0377 10.9174 10.9174 k = 0.4013 0.4013 0.3129 ( 1494 PWs) bands (ev): -4.6971 -4.6971 2.8371 2.8371 3.0552 3.0552 4.1303 4.1303 6.8034 6.8034 6.8918 6.8918 7.0740 7.0740 7.2491 7.2491 7.3549 7.3549 10.0192 10.0192 10.9946 10.9946 k = 0.3947 0.3947 0.3129 ( 1494 PWs) bands (ev): -4.7512 -4.7512 2.8784 2.8784 3.0984 3.0984 4.0995 4.0995 6.7898 6.7898 6.8746 6.8746 7.0793 7.0793 7.2067 7.2067 7.3134 7.3134 10.0028 10.0028 11.0748 11.0748 k = 0.3882 0.3882 0.3129 ( 1494 PWs) bands (ev): -4.8075 -4.8075 2.9219 2.9219 3.1444 3.1444 4.0650 4.0650 6.7750 6.7750 6.8564 6.8564 7.0844 7.0844 7.1675 7.1675 7.2728 7.2728 9.9885 9.9885 11.1581 11.1581 k = 0.3816 0.3816 0.3129 ( 1486 PWs) bands (ev): -4.8658 -4.8658 2.9677 2.9677 3.1930 3.1930 4.0267 4.0267 6.7591 6.7591 6.8380 6.8380 7.0885 7.0885 7.1322 7.1322 7.2340 7.2340 9.9763 9.9763 11.2444 11.2444 k = 0.3750 0.3750 0.3129 ( 1486 PWs) bands (ev): -4.9260 -4.9260 3.0156 3.0156 3.2442 3.2442 3.9847 3.9847 6.7416 6.7416 6.8198 6.8198 7.0871 7.0871 7.1037 7.1037 7.1983 7.1983 9.9662 9.9662 11.3334 11.3334 k = 0.3684 0.3684 0.3129 ( 1486 PWs) bands (ev): -4.9878 -4.9878 3.0655 3.0655 3.2979 3.2979 3.9389 3.9389 6.7227 6.7227 6.8026 6.8026 7.0652 7.0652 7.0927 7.0927 7.1701 7.1701 9.9581 9.9581 11.4252 11.4252 k = 0.3618 0.3618 0.3129 ( 1490 PWs) bands (ev): -5.0511 -5.0511 3.1172 3.1172 3.3541 3.3541 3.8895 3.8895 6.7027 6.7027 6.7869 6.7869 7.0369 7.0369 7.0786 7.0786 7.1553 7.1553 9.9519 9.9519 11.5197 11.5197 k = 0.3553 0.3553 0.3129 ( 1486 PWs) bands (ev): -5.1157 -5.1157 3.1704 3.1704 3.4128 3.4128 3.8370 3.8370 6.6825 6.6825 6.7730 6.7730 7.0072 7.0072 7.0568 7.0568 7.1534 7.1534 9.9477 9.9477 11.6166 11.6166 k = 0.3487 0.3487 0.3129 ( 1486 PWs) bands (ev): -5.1814 -5.1814 3.2246 3.2246 3.4737 3.4737 3.7820 3.7820 6.6629 6.6629 6.7606 6.7606 6.9749 6.9749 7.0338 7.0338 7.1582 7.1582 9.9452 9.9452 11.7160 11.7160 k = 0.3421 0.3421 0.3129 ( 1486 PWs) bands (ev): -5.2481 -5.2481 3.2786 3.2786 3.5362 3.5362 3.7265 3.7265 6.6446 6.6446 6.7494 6.7494 6.9403 6.9403 7.0130 7.0130 7.1659 7.1659 9.9446 9.9446 11.8178 11.8178 k = 0.3355 0.3355 0.3129 ( 1494 PWs) bands (ev): -5.3156 -5.3156 3.3296 3.3296 3.5966 3.5966 3.6771 3.6771 6.6280 6.6280 6.7390 6.7390 6.9042 6.9042 6.9945 6.9945 7.1752 7.1752 9.9457 9.9457 11.9218 11.9218 k = 0.3289 0.3289 0.3129 ( 1494 PWs) bands (ev): -5.3837 -5.3837 3.3701 3.3701 3.6111 3.6111 3.6854 3.6854 6.6138 6.6138 6.7293 6.7293 6.8681 6.8681 6.9777 6.9777 7.1855 7.1855 9.9484 9.9484 12.0280 12.0280 k = 0.3224 0.3224 0.3129 ( 1494 PWs) bands (ev): -5.4524 -5.4524 3.3818 3.3818 3.5992 3.5992 3.7503 3.7503 6.6017 6.6017 6.7195 6.7195 6.8330 6.8330 6.9623 6.9623 7.1967 7.1967 9.9528 9.9528 12.1364 12.1364 k = 0.3158 0.3158 0.3129 ( 1490 PWs) bands (ev): -5.5214 -5.5214 3.3514 3.3514 3.6241 3.6241 3.8223 3.8223 6.5919 6.5919 6.7085 6.7085 6.8003 6.8003 6.9480 6.9480 7.2086 7.2086 9.9588 9.9588 12.2469 12.2469 k = 0.3092 0.3092 0.3129 ( 1484 PWs) bands (ev): -5.5906 -5.5906 3.2936 3.2936 3.6752 3.6752 3.8975 3.8975 6.5838 6.5838 6.6946 6.6946 6.7723 6.7723 6.9347 6.9347 7.2211 7.2211 9.9663 9.9663 12.3595 12.3595 k = 0.3026 0.3026 0.3129 ( 1484 PWs) bands (ev): -5.6598 -5.6598 3.2235 3.2235 3.7383 3.7383 3.9752 3.9752 6.5768 6.5768 6.6755 6.6755 6.7515 6.7515 6.9221 6.9221 7.2341 7.2341 9.9752 9.9752 12.4741 12.4741 k = 0.2961 0.2961 0.3129 ( 1484 PWs) bands (ev): -5.7291 -5.7291 3.1474 3.1474 3.8075 3.8075 4.0552 4.0552 6.5698 6.5698 6.6517 6.6517 6.7384 6.7384 6.9105 6.9105 7.2477 7.2477 9.9856 9.9856 12.5906 12.5906 k = 0.2895 0.2895 0.3129 ( 1488 PWs) bands (ev): -5.7981 -5.7981 3.0679 3.0679 3.8806 3.8806 4.1374 4.1374 6.5606 6.5606 6.6272 6.6272 6.7310 6.7310 6.9000 6.9000 7.2618 7.2618 9.9973 9.9973 12.7091 12.7091 k = 0.2829 0.2829 0.3129 ( 1488 PWs) bands (ev): -5.8669 -5.8669 2.9861 2.9861 3.9567 3.9567 4.2217 4.2217 6.5454 6.5454 6.6073 6.6073 6.7271 6.7271 6.8909 6.8909 7.2764 7.2764 10.0104 10.0104 12.8295 12.8295 k = 0.2763 0.2763 0.3129 ( 1488 PWs) bands (ev): -5.9353 -5.9353 2.9030 2.9030 4.0352 4.0352 4.3081 4.3081 6.5224 6.5224 6.5945 6.5945 6.7257 6.7257 6.8835 6.8835 7.2916 7.2916 10.0247 10.0247 12.9518 12.9518 k = 0.2697 0.2697 0.3129 ( 1488 PWs) bands (ev): -6.0032 -6.0032 2.8190 2.8190 4.1159 4.1159 4.3965 4.3965 6.4941 6.4941 6.5863 6.5863 6.7263 6.7263 6.8780 6.8780 7.3074 7.3074 10.0402 10.0402 13.0759 13.0759 k = 0.2632 0.2632 0.3129 ( 1482 PWs) bands (ev): -6.0705 -6.0705 2.7346 2.7346 4.1984 4.1984 4.4868 4.4868 6.4635 6.4635 6.5795 6.5795 6.7287 6.7287 6.8749 6.8749 7.3240 7.3240 10.0568 10.0568 13.2018 13.2018 k = 0.2566 0.2566 0.3129 ( 1482 PWs) bands (ev): -6.1371 -6.1371 2.6500 2.6500 4.2827 4.2827 4.5789 4.5789 6.4321 6.4321 6.5722 6.5722 6.7327 6.7327 6.8742 6.8742 7.3410 7.3410 10.0744 10.0744 13.3295 13.3295 k = 0.2500 0.2500 0.3129 ( 1480 PWs) bands (ev): -6.2030 -6.2030 2.5656 2.5656 4.3685 4.3685 4.6726 4.6726 6.4007 6.4007 6.5636 6.5636 6.7381 6.7381 6.8763 6.8763 7.3586 7.3586 10.0930 10.0930 13.4590 13.4590 k = 0.2434 0.2434 0.3129 ( 1480 PWs) bands (ev): -6.2679 -6.2679 2.4816 2.4816 4.4557 4.4557 4.7680 4.7680 6.3696 6.3696 6.5534 6.5534 6.7448 6.7448 6.8810 6.8810 7.3770 7.3770 10.1125 10.1125 13.5902 13.5902 k = 0.2368 0.2368 0.3129 ( 1480 PWs) bands (ev): -6.3319 -6.3319 2.3983 2.3983 4.5442 4.5442 4.8648 4.8648 6.3390 6.3390 6.5413 6.5413 6.7528 6.7528 6.8884 6.8884 7.3961 7.3961 10.1328 10.1328 13.7231 13.7231 k = 0.2303 0.2303 0.3129 ( 1476 PWs) bands (ev): -6.3949 -6.3949 2.3159 2.3159 4.6338 4.6338 4.9629 4.9629 6.3091 6.3091 6.5275 6.5275 6.7619 6.7619 6.8984 6.8984 7.4160 7.4160 10.1538 10.1538 13.8577 13.8577 k = 0.2237 0.2237 0.3129 ( 1476 PWs) bands (ev): -6.4568 -6.4568 2.2345 2.2345 4.7243 4.7243 5.0622 5.0622 6.2797 6.2797 6.5123 6.5123 6.7723 6.7723 6.9105 6.9105 7.4367 7.4367 10.1754 10.1754 13.9939 13.9939 k = 0.2171 0.2171 0.3129 ( 1472 PWs) bands (ev): -6.5175 -6.5175 2.1543 2.1543 4.8156 4.8156 5.1624 5.1624 6.2513 6.2513 6.4957 6.4957 6.7840 6.7840 6.9244 6.9244 7.4584 7.4584 10.1976 10.1976 14.1315 14.1315 k = 0.2105 0.2105 0.3129 ( 1472 PWs) bands (ev): -6.5770 -6.5770 2.0755 2.0755 4.9075 4.9075 5.2632 5.2632 6.2234 6.2234 6.4781 6.4781 6.7972 6.7972 6.9399 6.9399 7.4811 7.4811 10.2202 10.2202 14.2698 14.2698 k = 0.2039 0.2039 0.3129 ( 1468 PWs) bands (ev): -6.6352 -6.6352 1.9981 1.9981 4.9998 4.9998 5.3644 5.3644 6.1964 6.1964 6.4597 6.4597 6.8121 6.8121 6.9566 6.9566 7.5050 7.5050 10.2431 10.2431 14.3943 14.3943 k = 0.1974 0.1974 0.3129 ( 1472 PWs) bands (ev): -6.6920 -6.6920 1.9224 1.9224 5.0921 5.0921 5.4656 5.4656 6.1702 6.1702 6.4405 6.4405 6.8287 6.8287 6.9742 6.9742 7.5300 7.5300 10.2663 10.2663 14.3542 14.3542 k = 0.1908 0.1908 0.3129 ( 1472 PWs) bands (ev): -6.7474 -6.7474 1.8484 1.8484 5.1843 5.1843 5.5663 5.5663 6.1448 6.1448 6.4209 6.4209 6.8477 6.8477 6.9926 6.9926 7.5564 7.5564 10.2897 10.2897 14.2819 14.2819 k = 0.1842 0.1842 0.3129 ( 1476 PWs) bands (ev): -6.8014 -6.8014 1.7762 1.7762 5.2761 5.2761 5.6660 5.6660 6.1203 6.1203 6.4010 6.4010 6.8693 6.8693 7.0114 7.0114 7.5843 7.5843 10.3130 10.3130 14.2045 14.2045 k = 0.1776 0.1776 0.3129 ( 1472 PWs) bands (ev): -6.8539 -6.8539 1.7059 1.7059 5.3672 5.3672 5.7639 5.7639 6.0969 6.0969 6.3811 6.3811 6.8942 6.8942 7.0307 7.0307 7.6139 7.6139 10.3364 10.3364 14.1237 14.1237 k = 0.1711 0.1711 0.3129 ( 1472 PWs) bands (ev): -6.9048 -6.9048 1.6376 1.6376 5.4572 5.4572 5.8592 5.8592 6.0744 6.0744 6.3612 6.3612 6.9227 6.9227 7.0501 7.0501 7.6452 7.6452 10.3596 10.3596 14.0405 14.0405 k = 0.1645 0.1645 0.3129 ( 1468 PWs) bands (ev): -6.9541 -6.9541 1.5714 1.5714 5.5457 5.5457 5.9501 5.9501 6.0539 6.0539 6.3416 6.3416 6.9555 6.9555 7.0699 7.0699 7.6785 7.6785 10.3826 10.3826 13.9555 13.9555 k = 0.1579 0.1579 0.3129 ( 1468 PWs) bands (ev): -7.0017 -7.0017 1.5074 1.5074 5.6323 5.6323 6.0189 6.0189 6.0516 6.0516 6.3227 6.3227 6.9932 6.9932 7.0899 7.0899 7.7140 7.7140 10.4053 10.4053 13.8693 13.8693 k = 0.1513 0.1513 0.3129 ( 1470 PWs) bands (ev): -7.0477 -7.0477 1.4456 1.4456 5.7166 5.7166 6.0082 6.0082 6.1236 6.1236 6.3053 6.3053 7.0358 7.0358 7.1110 7.1110 7.7518 7.7518 10.4276 10.4276 13.7823 13.7823 k = 0.1447 0.1447 0.3129 ( 1462 PWs) bands (ev): -7.0919 -7.0919 1.3861 1.3861 5.7978 5.7978 5.9902 5.9902 6.1942 6.1942 6.2922 6.2922 7.0813 7.0813 7.1360 7.1360 7.7922 7.7922 10.4494 10.4494 13.6946 13.6946 k = 0.1382 0.1382 0.3129 ( 1466 PWs) bands (ev): -7.1345 -7.1345 1.3288 1.3288 5.8749 5.8749 5.9729 5.9729 6.2383 6.2383 6.3003 6.3003 7.1205 7.1205 7.1740 7.1740 7.8352 7.8352 10.4707 10.4707 13.6067 13.6067 k = 0.1316 0.1316 0.3129 ( 1466 PWs) bands (ev): -7.1752 -7.1752 1.2740 1.2740 5.9384 5.9384 5.9652 5.9652 6.2391 6.2391 6.3464 6.3464 7.1468 7.1468 7.2323 7.2323 7.8810 7.8810 10.4914 10.4914 13.5187 13.5187 k = 0.1250 0.1250 0.3129 ( 1466 PWs) bands (ev): -7.2141 -7.2141 1.2216 1.2216 5.9347 5.9347 6.0191 6.0191 6.2308 6.2308 6.3976 6.3976 7.1667 7.1667 7.3036 7.3036 7.9296 7.9296 10.5115 10.5115 13.4307 13.4307 k = 0.1184 0.1184 0.3129 ( 1468 PWs) bands (ev): -7.2512 -7.2512 1.1717 1.1717 5.9199 5.9199 6.0740 6.0740 6.2279 6.2279 6.4441 6.4441 7.1842 7.1842 7.3832 7.3832 7.9812 7.9812 10.5308 10.5308 13.3430 13.3430 k = 0.1118 0.1118 0.3129 ( 1464 PWs) bands (ev): -7.2864 -7.2864 1.1242 1.1242 5.9052 5.9052 6.1099 6.1099 6.2407 6.2407 6.4850 6.4850 7.2003 7.2003 7.4691 7.4691 8.0358 8.0358 10.5494 10.5494 13.2555 13.2555 k = 0.1053 0.1053 0.3129 ( 1464 PWs) bands (ev): -7.3197 -7.3197 1.0793 1.0793 5.8913 5.8913 6.1213 6.1213 6.2740 6.2740 6.5206 6.5206 7.2154 7.2154 7.5593 7.5593 8.0931 8.0931 10.5672 10.5672 13.1686 13.1686 k = 0.0987 0.0987 0.3129 ( 1460 PWs) bands (ev): -7.3511 -7.3511 1.0370 1.0370 5.8782 5.8782 6.1181 6.1181 6.3182 6.3182 6.5518 6.5518 7.2296 7.2296 7.6526 7.6526 8.1530 8.1530 10.5841 10.5841 13.0822 13.0822 k = 0.0921 0.0921 0.3129 ( 1464 PWs) bands (ev): -7.3806 -7.3806 0.9973 0.9973 5.8658 5.8658 6.1091 6.1091 6.3641 6.3641 6.5790 6.5790 7.2427 7.2427 7.7475 7.7475 8.2153 8.2153 10.6001 10.6001 12.9968 12.9968 k = 0.0855 0.0855 0.3129 ( 1464 PWs) bands (ev): -7.4081 -7.4081 0.9602 0.9602 5.8543 5.8543 6.0983 6.0983 6.4081 6.4081 6.6031 6.6031 7.2551 7.2551 7.8424 7.8424 8.2796 8.2796 10.6152 10.6152 12.9124 12.9124 k = 0.0789 0.0789 0.3129 ( 1460 PWs) bands (ev): -7.4337 -7.4337 0.9258 0.9258 5.8437 5.8437 6.0871 6.0871 6.4487 6.4487 6.6245 6.6245 7.2666 7.2666 7.9363 7.9363 8.3455 8.3455 10.6294 10.6294 12.8295 12.8295 k = 0.0724 0.0724 0.3129 ( 1460 PWs) bands (ev): -7.4572 -7.4572 0.8941 0.8941 5.8338 5.8338 6.0760 6.0760 6.4854 6.4854 6.6437 6.6437 7.2772 7.2772 8.0276 8.0276 8.4124 8.4124 10.6426 10.6426 12.7483 12.7483 k = 0.0658 0.0658 0.3129 ( 1460 PWs) bands (ev): -7.4788 -7.4788 0.8650 0.8650 5.8249 5.8249 6.0654 6.0654 6.5181 6.5181 6.6610 6.6610 7.2869 7.2869 8.1152 8.1152 8.4796 8.4796 10.6549 10.6549 12.6696 12.6696 k = 0.0592 0.0592 0.3129 ( 1456 PWs) bands (ev): -7.4983 -7.4983 0.8387 0.8387 5.8169 5.8169 6.0556 6.0556 6.5466 6.5466 6.6767 6.6767 7.2957 7.2957 8.1979 8.1979 8.5465 8.5465 10.6661 10.6661 12.5938 12.5938 k = 0.0526 0.0526 0.3129 ( 1460 PWs) bands (ev): -7.5159 -7.5159 0.8151 0.8151 5.8096 5.8096 6.0465 6.0465 6.5711 6.5711 6.6909 6.6909 7.3036 7.3036 8.2746 8.2746 8.6119 8.6119 10.6762 10.6762 12.5218 12.5218 k = 0.0461 0.0461 0.3129 ( 1456 PWs) bands (ev): -7.5314 -7.5314 0.7942 0.7942 5.8034 5.8034 6.0384 6.0384 6.5918 6.5918 6.7038 6.7038 7.3106 7.3106 8.3443 8.3443 8.6747 8.6747 10.6853 10.6853 12.4544 12.4544 k = 0.0395 0.0395 0.3129 ( 1456 PWs) bands (ev): -7.5448 -7.5448 0.7761 0.7761 5.7979 5.7979 6.0313 6.0313 6.6090 6.6090 6.7152 6.7152 7.3166 7.3166 8.4062 8.4062 8.7336 8.7336 10.6933 10.6933 12.3926 12.3926 k = 0.0329 0.0329 0.3129 ( 1444 PWs) bands (ev): -7.5562 -7.5562 0.7608 0.7608 5.7934 5.7934 6.0253 6.0253 6.6230 6.6230 6.7252 6.7252 7.3218 7.3218 8.4596 8.4596 8.7872 8.7872 10.7002 10.7002 12.3376 12.3376 k = 0.0263 0.0263 0.3129 ( 1444 PWs) bands (ev): -7.5655 -7.5655 0.7482 0.7482 5.7895 5.7895 6.0202 6.0202 6.6339 6.6339 6.7336 6.7336 7.3261 7.3261 8.5040 8.5040 8.8337 8.8337 10.7059 10.7059 12.2905 12.2905 k = 0.0197 0.0197 0.3129 ( 1440 PWs) bands (ev): -7.5728 -7.5728 0.7384 0.7384 5.7865 5.7865 6.0163 6.0163 6.6421 6.6421 6.7403 6.7403 7.3294 7.3294 8.5390 8.5390 8.8718 8.8718 10.7104 10.7104 12.2524 12.2524 k = 0.0132 0.0132 0.3129 ( 1440 PWs) bands (ev): -7.5779 -7.5779 0.7315 0.7315 5.7844 5.7844 6.0135 6.0135 6.6478 6.6478 6.7451 6.7451 7.3318 7.3318 8.5642 8.5642 8.9001 8.9001 10.7137 10.7137 12.2243 12.2243 k = 0.0066 0.0066 0.3129 ( 1436 PWs) bands (ev): -7.5811 -7.5811 0.7273 0.7273 5.7831 5.7831 6.0118 6.0118 6.6512 6.6512 6.7481 6.7481 7.3332 7.3332 8.5795 8.5795 8.9176 8.9176 10.7156 10.7156 12.2071 12.2071 k = 0.0000 0.0000 0.3129 ( 1444 PWs) bands (ev): -7.5821 -7.5821 0.7259 0.7259 5.7826 5.7826 6.0112 6.0112 6.6523 6.6523 6.7491 6.7491 7.3335 7.3335 8.5845 8.5845 8.9234 8.9234 10.7163 10.7163 12.2013 12.2013 k = 0.0000 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.9611 -5.9611 0.7953 0.7953 3.8030 3.8030 5.8840 5.8840 6.7564 6.7564 7.1233 7.1233 7.4426 7.4426 7.8942 7.8942 8.8460 8.8460 9.5330 9.5330 10.6935 10.6935 k = 0.0000 0.5000 0.0092 ( 1476 PWs) bands (ev): -5.9610 -5.9610 0.7960 0.7960 3.8024 3.8024 5.8835 5.8835 6.7566 6.7566 7.1232 7.1232 7.4405 7.4405 7.8815 7.8815 8.8621 8.8621 9.5330 9.5330 10.6447 10.6447 k = 0.0000 0.5000 0.0184 ( 1470 PWs) bands (ev): -5.9608 -5.9608 0.7981 0.7981 3.8006 3.8006 5.8821 5.8821 6.7570 6.7570 7.1232 7.1232 7.4343 7.4343 7.8460 7.8460 8.9077 8.9077 9.5329 9.5329 10.5413 10.5413 k = 0.0000 0.5000 0.0276 ( 1470 PWs) bands (ev): -5.9604 -5.9604 0.8017 0.8017 3.7975 3.7975 5.8798 5.8798 6.7578 6.7578 7.1227 7.1227 7.4240 7.4240 7.7931 7.7931 8.9772 8.9772 9.5328 9.5328 10.4237 10.4237 k = 0.0000 0.5000 0.0368 ( 1470 PWs) bands (ev): -5.9599 -5.9599 0.8067 0.8067 3.7934 3.7934 5.8764 5.8764 6.7588 6.7588 7.1220 7.1220 7.4096 7.4096 7.7288 7.7288 9.0644 9.0644 9.5331 9.5331 10.3051 10.3051 k = 0.0000 0.5000 0.0460 ( 1466 PWs) bands (ev): -5.9592 -5.9592 0.8130 0.8130 3.7880 3.7880 5.8721 5.8721 6.7601 6.7601 7.1211 7.1211 7.3913 7.3913 7.6579 7.6579 9.1636 9.1636 9.5346 9.5346 10.1898 10.1898 k = 0.0000 0.5000 0.0552 ( 1466 PWs) bands (ev): -5.9584 -5.9584 0.8206 0.8206 3.7816 3.7816 5.8667 5.8667 6.7616 6.7616 7.1198 7.1198 7.3690 7.3690 7.5837 7.5837 9.2692 9.2692 9.5395 9.5395 10.0795 10.0795 k = 0.0000 0.5000 0.0644 ( 1466 PWs) bands (ev): -5.9574 -5.9574 0.8296 0.8296 3.7741 3.7741 5.8602 5.8602 6.7634 6.7634 7.1181 7.1181 7.3428 7.3428 7.5089 7.5089 9.3712 9.3712 9.5552 9.5552 9.9752 9.9752 k = 0.0000 0.5000 0.0736 ( 1466 PWs) bands (ev): -5.9563 -5.9563 0.8398 0.8398 3.7656 3.7656 5.8525 5.8525 6.7655 6.7655 7.1158 7.1158 7.3129 7.3129 7.4351 7.4351 9.4438 9.4438 9.6058 9.6058 9.8777 9.8777 k = 0.0000 0.5000 0.0828 ( 1466 PWs) bands (ev): -5.9551 -5.9551 0.8512 0.8512 3.7562 3.7562 5.8436 5.8436 6.7677 6.7677 7.1124 7.1124 7.2790 7.2790 7.3644 7.3644 9.4712 9.4712 9.7034 9.7034 9.7896 9.7896 k = 0.0000 0.5000 0.0920 ( 1468 PWs) bands (ev): -5.9538 -5.9538 0.8637 0.8637 3.7458 3.7458 5.8333 5.8333 6.7701 6.7701 7.1070 7.1070 7.2407 7.2407 7.2992 7.2992 9.4775 9.4775 9.6984 9.6984 9.8359 9.8359 k = 0.0000 0.5000 0.1012 ( 1472 PWs) bands (ev): -5.9524 -5.9524 0.8772 0.8772 3.7347 3.7347 5.8216 5.8216 6.7727 6.7727 7.0967 7.0967 7.1980 7.1980 7.2431 7.2431 9.4758 9.4758 9.6238 9.6238 9.9695 9.9695 k = 0.0000 0.5000 0.1104 ( 1472 PWs) bands (ev): -5.9509 -5.9509 0.8917 0.8917 3.7229 3.7229 5.8085 5.8085 6.7753 6.7753 7.0751 7.0751 7.1569 7.1569 7.1978 7.1978 9.4675 9.4675 9.5583 9.5583 10.1096 10.1096 k = 0.0000 0.5000 0.1196 ( 1464 PWs) bands (ev): -5.9494 -5.9494 0.9071 0.9071 3.7105 3.7105 5.7940 5.7940 6.7781 6.7781 7.0357 7.0357 7.1237 7.1237 7.1642 7.1642 9.4450 9.4450 9.5117 9.5117 10.2536 10.2536 k = 0.0000 0.5000 0.1288 ( 1464 PWs) bands (ev): -5.9478 -5.9478 0.9232 0.9232 3.6976 3.6976 5.7777 5.7777 6.7808 6.7808 6.9854 6.9854 7.0887 7.0887 7.1456 7.1456 9.4021 9.4021 9.4905 9.4905 10.4002 10.4002 k = 0.0000 0.5000 0.1380 ( 1466 PWs) bands (ev): -5.9461 -5.9461 0.9399 0.9399 3.6842 3.6842 5.7599 5.7599 6.7832 6.7832 6.9327 6.9327 7.0495 7.0495 7.1366 7.1366 9.3531 9.3531 9.4805 9.4805 10.5486 10.5486 k = 0.0000 0.5000 0.1472 ( 1458 PWs) bands (ev): -5.9444 -5.9444 0.9572 0.9572 3.6706 3.6706 5.7406 5.7406 6.7849 6.7849 6.8819 6.8819 7.0092 7.0092 7.1316 7.1316 9.3061 9.3061 9.4734 9.4734 10.6982 10.6982 k = 0.0000 0.5000 0.1564 ( 1458 PWs) bands (ev): -5.9427 -5.9427 0.9749 0.9749 3.6568 3.6568 5.7196 5.7196 6.7832 6.7832 6.8365 6.8365 6.9693 6.9693 7.1282 7.1282 9.2629 9.2629 9.4672 9.4672 10.8484 10.8484 k = 0.0000 0.5000 0.1657 ( 1458 PWs) bands (ev): -5.9410 -5.9410 0.9929 0.9929 3.6430 3.6430 5.6972 5.6972 6.7654 6.7654 6.8098 6.8098 6.9305 6.9305 7.1256 7.1256 9.2237 9.2237 9.4614 9.4614 10.9986 10.9986 k = 0.0000 0.5000 0.1749 ( 1466 PWs) bands (ev): -5.9393 -5.9393 1.0109 1.0109 3.6292 3.6292 5.6733 5.6733 6.7282 6.7282 6.8052 6.8052 6.8932 6.8932 7.1236 7.1236 9.1883 9.1883 9.4559 9.4559 11.1481 11.1481 k = 0.0000 0.5000 0.1841 ( 1462 PWs) bands (ev): -5.9376 -5.9376 1.0289 1.0289 3.6156 3.6156 5.6486 5.6486 6.6886 6.6886 6.8063 6.8063 6.8582 6.8582 7.1218 7.1218 9.1567 9.1567 9.4505 9.4505 11.2962 11.2962 k = 0.0000 0.5000 0.1933 ( 1466 PWs) bands (ev): -5.9360 -5.9360 1.0467 1.0467 3.6023 3.6023 5.6230 5.6230 6.6508 6.6508 6.8082 6.8082 6.8257 6.8257 7.1203 7.1203 9.1286 9.1286 9.4453 9.4453 11.4422 11.4422 k = 0.0000 0.5000 0.2025 ( 1466 PWs) bands (ev): -5.9344 -5.9344 1.0641 1.0641 3.5895 3.5895 5.5969 5.5969 6.6156 6.6156 6.7942 6.7942 6.8120 6.8120 7.1190 7.1190 9.1035 9.1035 9.4403 9.4403 11.5853 11.5853 k = 0.0000 0.5000 0.2117 ( 1462 PWs) bands (ev): -5.9329 -5.9329 1.0810 1.0810 3.5771 3.5771 5.5707 5.5707 6.5834 6.5834 6.7669 6.7669 6.8143 6.8143 7.1179 7.1179 9.0814 9.0814 9.4355 9.4355 11.7243 11.7243 k = 0.0000 0.5000 0.2209 ( 1456 PWs) bands (ev): -5.9315 -5.9315 1.0972 1.0972 3.5655 3.5655 5.5449 5.5449 6.5541 6.5541 6.7421 6.7421 6.8168 6.8168 7.1169 7.1169 9.0620 9.0620 9.4310 9.4310 11.8584 11.8584 k = 0.0000 0.5000 0.2301 ( 1464 PWs) bands (ev): -5.9302 -5.9302 1.1125 1.1125 3.5546 3.5546 5.5197 5.5197 6.5276 6.5276 6.7198 6.7198 6.8192 6.8192 7.1159 7.1159 9.0450 9.0450 9.4268 9.4268 11.9862 11.9862 k = 0.0000 0.5000 0.2393 ( 1460 PWs) bands (ev): -5.9289 -5.9289 1.1267 1.1267 3.5446 3.5446 5.4959 5.4959 6.5042 6.5042 6.7002 6.7002 6.8216 6.8216 7.1150 7.1150 9.0303 9.0303 9.4230 9.4230 12.1066 12.1066 k = 0.0000 0.5000 0.2485 ( 1462 PWs) bands (ev): -5.9278 -5.9278 1.1397 1.1397 3.5355 3.5355 5.4736 5.4736 6.4836 6.4836 6.6831 6.6831 6.8237 6.8237 7.1143 7.1143 9.0176 9.0176 9.4195 9.4195 12.2180 12.2180 k = 0.0000 0.5000 0.2577 ( 1462 PWs) bands (ev): -5.9269 -5.9269 1.1513 1.1513 3.5275 3.5275 5.4533 5.4533 6.4659 6.4659 6.6686 6.6686 6.8256 6.8256 7.1136 7.1136 9.0070 9.0070 9.4164 9.4164 12.3190 12.3190 k = 0.0000 0.5000 0.2669 ( 1470 PWs) bands (ev): -5.9260 -5.9260 1.1614 1.1614 3.5206 3.5206 5.4354 5.4354 6.4508 6.4508 6.6565 6.6565 6.8271 6.8271 7.1129 7.1129 8.9981 8.9981 9.4137 9.4137 12.4081 12.4081 k = 0.0000 0.5000 0.2761 ( 1468 PWs) bands (ev): -5.9253 -5.9253 1.1699 1.1699 3.5148 3.5148 5.4204 5.4204 6.4387 6.4387 6.6468 6.6468 6.8284 6.8284 7.1125 7.1125 8.9910 8.9910 9.4115 9.4115 12.4836 12.4836 k = 0.0000 0.5000 0.2853 ( 1468 PWs) bands (ev): -5.9248 -5.9248 1.1766 1.1766 3.5103 3.5103 5.4083 5.4083 6.4293 6.4293 6.6393 6.6393 6.8295 6.8295 7.1121 7.1121 8.9856 8.9856 9.4098 9.4098 12.5442 12.5442 k = 0.0000 0.5000 0.2945 ( 1468 PWs) bands (ev): -5.9244 -5.9244 1.1814 1.1814 3.5070 3.5070 5.3996 5.3996 6.4226 6.4226 6.6340 6.6340 6.8303 6.8303 7.1119 7.1119 8.9818 8.9818 9.4085 9.4085 12.5885 12.5885 k = 0.0000 0.5000 0.3037 ( 1464 PWs) bands (ev): -5.9241 -5.9241 1.1843 1.1843 3.5050 3.5050 5.3942 5.3942 6.4186 6.4186 6.6310 6.6310 6.8308 6.8308 7.1117 7.1117 8.9795 8.9795 9.4077 9.4077 12.6155 12.6155 k = 0.0000 0.5000 0.3129 ( 1464 PWs) bands (ev): -5.9240 -5.9240 1.1853 1.1853 3.5044 3.5044 5.3924 5.3924 6.4172 6.4172 6.6299 6.6299 6.8309 6.8309 7.1117 7.1117 8.9787 8.9787 9.4075 9.4075 12.6245 12.6245 k = 0.5000 0.5000-0.0000 ( 1472 PWs) bands (ev): -4.3302 -4.3302 2.6493 2.6493 2.8751 2.8751 5.7668 5.7668 6.1572 6.1572 6.2207 6.2207 6.3357 6.3357 6.4705 6.4705 7.6924 7.6924 10.5153 10.5153 12.8506 12.8506 k = 0.5000 0.5000 0.0092 ( 1472 PWs) bands (ev): -4.3300 -4.3300 2.6490 2.6490 2.8748 2.8748 5.7554 5.7554 6.1586 6.1586 6.2219 6.2219 6.3472 6.3472 6.4714 6.4714 7.6924 7.6924 10.5147 10.5147 12.8412 12.8412 k = 0.5000 0.5000 0.0184 ( 1472 PWs) bands (ev): -4.3296 -4.3296 2.6482 2.6482 2.8738 2.8738 5.7239 5.7239 6.1628 6.1628 6.2258 6.2258 6.3794 6.3794 6.4740 6.4740 7.6924 7.6924 10.5127 10.5127 12.8133 12.8133 k = 0.5000 0.5000 0.0276 ( 1468 PWs) bands (ev): -4.3290 -4.3290 2.6468 2.6468 2.8722 2.8722 5.6774 5.6774 6.1699 6.1699 6.2325 6.2325 6.4267 6.4267 6.4785 6.4785 7.6924 7.6924 10.5095 10.5095 12.7683 12.7683 k = 0.5000 0.5000 0.0368 ( 1468 PWs) bands (ev): -4.3280 -4.3280 2.6449 2.6449 2.8700 2.8700 5.6213 5.6213 6.1797 6.1797 6.2419 6.2419 6.4838 6.4838 6.4846 6.4846 7.6925 7.6925 10.5050 10.5050 12.7081 12.7081 k = 0.5000 0.5000 0.0460 ( 1468 PWs) bands (ev): -4.3268 -4.3268 2.6424 2.6424 2.8672 2.8672 5.5592 5.5592 6.1922 6.1922 6.2540 6.2540 6.4923 6.4923 6.5470 6.5470 7.6926 7.6926 10.4992 10.4992 12.6349 12.6349 k = 0.5000 0.5000 0.0552 ( 1468 PWs) bands (ev): -4.3254 -4.3254 2.6395 2.6395 2.8639 2.8639 5.4936 5.4936 6.2074 6.2074 6.2687 6.2687 6.5017 6.5017 6.6138 6.6138 7.6927 7.6927 10.4922 10.4922 12.5510 12.5510 k = 0.5000 0.5000 0.0644 ( 1476 PWs) bands (ev): -4.3237 -4.3237 2.6361 2.6361 2.8600 2.8600 5.4262 5.4262 6.2250 6.2250 6.2859 6.2859 6.5127 6.5127 6.6826 6.6826 7.6926 7.6926 10.4838 10.4838 12.4585 12.4585 k = 0.5000 0.5000 0.0736 ( 1476 PWs) bands (ev): -4.3218 -4.3218 2.6322 2.6322 2.8557 2.8557 5.3579 5.3579 6.2452 6.2452 6.3056 6.3056 6.5253 6.5253 6.7522 6.7522 7.6927 7.6927 10.4742 10.4742 12.3594 12.3594 k = 0.5000 0.5000 0.0828 ( 1476 PWs) bands (ev): -4.3197 -4.3197 2.6280 2.6280 2.8509 2.8509 5.2897 5.2897 6.2677 6.2677 6.3277 6.3277 6.5395 6.5395 6.8220 6.8220 7.6929 7.6929 10.4633 10.4633 12.2553 12.2553 k = 0.5000 0.5000 0.0920 ( 1476 PWs) bands (ev): -4.3174 -4.3174 2.6235 2.6235 2.8457 2.8457 5.2220 5.2220 6.2925 6.2925 6.3520 6.3520 6.5550 6.5550 6.8914 6.8914 7.6931 7.6931 10.4513 10.4513 12.1476 12.1476 k = 0.5000 0.5000 0.1012 ( 1476 PWs) bands (ev): -4.3150 -4.3150 2.6186 2.6186 2.8402 2.8402 5.1552 5.1552 6.3193 6.3193 6.3783 6.3783 6.5720 6.5720 6.9598 6.9598 7.6934 7.6934 10.4380 10.4380 12.0377 12.0377 k = 0.5000 0.5000 0.1104 ( 1476 PWs) bands (ev): -4.3123 -4.3123 2.6135 2.6135 2.8345 2.8345 5.0897 5.0897 6.3480 6.3480 6.4067 6.4067 6.5902 6.5902 7.0269 7.0269 7.6937 7.6937 10.4235 10.4235 11.9264 11.9264 k = 0.5000 0.5000 0.1196 ( 1472 PWs) bands (ev): -4.3096 -4.3096 2.6082 2.6082 2.8285 2.8285 5.0259 5.0259 6.3783 6.3783 6.4367 6.4367 6.6096 6.6096 7.0926 7.0926 7.6943 7.6943 10.4080 10.4080 11.8146 11.8146 k = 0.5000 0.5000 0.1288 ( 1472 PWs) bands (ev): -4.3068 -4.3068 2.6028 2.6028 2.8223 2.8223 4.9637 4.9637 6.4102 6.4102 6.4685 6.4685 6.6303 6.6303 7.1562 7.1562 7.6947 7.6947 10.3914 10.3914 11.7032 11.7032 k = 0.5000 0.5000 0.1380 ( 1472 PWs) bands (ev): -4.3038 -4.3038 2.5972 2.5972 2.8160 2.8160 4.9035 4.9035 6.4434 6.4434 6.5017 6.5017 6.6519 6.6519 7.2178 7.2178 7.6953 7.6953 10.3738 10.3738 11.5927 11.5927 k = 0.5000 0.5000 0.1472 ( 1480 PWs) bands (ev): -4.3009 -4.3009 2.5915 2.5915 2.8097 2.8097 4.8454 4.8454 6.4774 6.4774 6.5359 6.5359 6.6745 6.6745 7.2769 7.2769 7.6959 7.6959 10.3553 10.3553 11.4837 11.4837 k = 0.5000 0.5000 0.1564 ( 1480 PWs) bands (ev): -4.2978 -4.2978 2.5859 2.5859 2.8034 2.8034 4.7897 4.7897 6.5123 6.5123 6.5714 6.5714 6.6980 6.6980 7.3335 7.3335 7.6968 7.6968 10.3361 10.3361 11.3767 11.3767 k = 0.5000 0.5000 0.1657 ( 1488 PWs) bands (ev): -4.2948 -4.2948 2.5803 2.5803 2.7971 2.7971 4.7364 4.7364 6.5475 6.5475 6.6075 6.6075 6.7220 6.7220 7.3873 7.3873 7.6979 7.6979 10.3162 10.3162 11.2723 11.2723 k = 0.5000 0.5000 0.1749 ( 1488 PWs) bands (ev): -4.2918 -4.2918 2.5748 2.5748 2.7909 2.7909 4.6857 4.6857 6.5829 6.5829 6.6442 6.6442 6.7469 6.7469 7.4381 7.4381 7.6994 7.6994 10.2959 10.2959 11.1709 11.1709 k = 0.5000 0.5000 0.1841 ( 1488 PWs) bands (ev): -4.2889 -4.2889 2.5694 2.5694 2.7849 2.7849 4.6378 4.6378 6.6179 6.6179 6.6811 6.6811 6.7724 6.7724 7.4854 7.4854 7.7015 7.7015 10.2752 10.2752 11.0729 11.0729 k = 0.5000 0.5000 0.1933 ( 1488 PWs) bands (ev): -4.2860 -4.2860 2.5642 2.5642 2.7791 2.7791 4.5927 4.5927 6.6522 6.6522 6.7180 6.7180 6.7984 6.7984 7.5289 7.5289 7.7044 7.7044 10.2544 10.2544 10.9788 10.9788 k = 0.5000 0.5000 0.2025 ( 1480 PWs) bands (ev): -4.2832 -4.2832 2.5592 2.5592 2.7735 2.7735 4.5506 4.5506 6.6854 6.6854 6.7544 6.7544 6.8250 6.8250 7.5679 7.5679 7.7087 7.7087 10.2338 10.2338 10.8890 10.8890 k = 0.5000 0.5000 0.2117 ( 1480 PWs) bands (ev): -4.2805 -4.2805 2.5544 2.5544 2.7683 2.7683 4.5114 4.5114 6.7170 6.7170 6.7901 6.7901 6.8515 6.8515 7.6014 7.6014 7.7155 7.7155 10.2134 10.2134 10.8039 10.8039 k = 0.5000 0.5000 0.2209 ( 1480 PWs) bands (ev): -4.2780 -4.2780 2.5500 2.5500 2.7633 2.7633 4.4754 4.4754 6.7465 6.7465 6.8246 6.8246 6.8780 6.8780 7.6280 7.6280 7.7258 7.7258 10.1936 10.1936 10.7241 10.7241 k = 0.5000 0.5000 0.2301 ( 1480 PWs) bands (ev): -4.2756 -4.2756 2.5459 2.5459 2.7587 2.7587 4.4426 4.4426 6.7738 6.7738 6.8575 6.8575 6.9042 6.9042 7.6468 7.6468 7.7406 7.7406 10.1745 10.1745 10.6500 10.6500 k = 0.5000 0.5000 0.2393 ( 1480 PWs) bands (ev): -4.2735 -4.2735 2.5421 2.5421 2.7546 2.7546 4.4130 4.4130 6.7985 6.7985 6.8885 6.8885 6.9296 6.9296 7.6588 7.6588 7.7590 7.7590 10.1566 10.1566 10.5820 10.5820 k = 0.5000 0.5000 0.2485 ( 1472 PWs) bands (ev): -4.2715 -4.2715 2.5387 2.5387 2.7508 2.7508 4.3868 4.3868 6.8206 6.8206 6.9173 6.9173 6.9539 6.9539 7.6662 7.6662 7.7785 7.7785 10.1399 10.1399 10.5206 10.5206 k = 0.5000 0.5000 0.2577 ( 1472 PWs) bands (ev): -4.2698 -4.2698 2.5357 2.5357 2.7475 2.7475 4.3640 4.3640 6.8399 6.8399 6.9432 6.9432 6.9763 6.9763 7.6707 7.6707 7.7974 7.7974 10.1249 10.1249 10.4663 10.4663 k = 0.5000 0.5000 0.2669 ( 1476 PWs) bands (ev): -4.2683 -4.2683 2.5331 2.5331 2.7447 2.7447 4.3446 4.3446 6.8561 6.8561 6.9659 6.9659 6.9963 6.9963 7.6736 7.6736 7.8143 7.8143 10.1116 10.1116 10.4195 10.4195 k = 0.5000 0.5000 0.2761 ( 1476 PWs) bands (ev): -4.2670 -4.2670 2.5310 2.5310 2.7423 2.7423 4.3286 4.3286 6.8696 6.8696 6.9851 6.9851 7.0136 7.0136 7.6756 7.6756 7.8287 7.8287 10.1004 10.1004 10.3806 10.3806 k = 0.5000 0.5000 0.2853 ( 1468 PWs) bands (ev): -4.2660 -4.2660 2.5293 2.5293 2.7405 2.7405 4.3162 4.3162 6.8803 6.8803 7.0004 7.0004 7.0277 7.0277 7.6769 7.6769 7.8402 7.8402 10.0915 10.0915 10.3500 10.3500 k = 0.5000 0.5000 0.2945 ( 1468 PWs) bands (ev): -4.2653 -4.2653 2.5281 2.5281 2.7392 2.7392 4.3073 4.3073 6.8879 6.8879 7.0116 7.0116 7.0380 7.0380 7.6777 7.6777 7.8484 7.8484 10.0849 10.0849 10.3279 10.3279 k = 0.5000 0.5000 0.3037 ( 1472 PWs) bands (ev): -4.2649 -4.2649 2.5274 2.5274 2.7383 2.7383 4.3020 4.3020 6.8924 6.8924 7.0183 7.0183 7.0442 7.0442 7.6781 7.6781 7.8534 7.8534 10.0809 10.0809 10.3146 10.3146 k = 0.5000 0.5000 0.3129 ( 1464 PWs) bands (ev): -4.2647 -4.2647 2.5272 2.5272 2.7381 2.7381 4.3002 4.3002 6.8940 6.8940 7.0207 7.0207 7.0464 7.0464 7.6783 7.6783 7.8551 7.8551 10.0796 10.0796 10.3101 10.3101 Writing output data file FeSe.save init_run : 0.11s CPU 0.22s WALL ( 1 calls) electrons : 38.94s CPU 40.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 38.94s CPU 40.19s 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 : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 479 calls) cegterg : 35.30s CPU 36.03s WALL ( 514 calls) Called by sum_band: Called by *egterg: h_psi : 18.47s CPU 19.15s WALL ( 7923 calls) s_psi : 0.59s CPU 0.58s WALL ( 7923 calls) g_psi : 0.03s CPU 0.05s WALL ( 6930 calls) cdiaghg : 15.97s CPU 16.27s WALL ( 7409 calls) cegterg:over : 1.10s CPU 1.06s WALL ( 6930 calls) cegterg:upda : 0.81s CPU 0.80s WALL ( 6930 calls) cegterg:last : 0.46s CPU 0.49s WALL ( 1430 calls) cdiaghg:chol : 0.82s CPU 0.87s WALL ( 7409 calls) cdiaghg:inve : 0.18s CPU 0.18s WALL ( 7409 calls) cdiaghg:para : 1.09s CPU 1.17s WALL ( 14818 calls) Called by h_psi: h_psi:vloc : 17.02s CPU 17.72s WALL ( 7923 calls) h_psi:vnl : 1.43s CPU 1.40s WALL ( 7923 calls) add_vuspsi : 0.71s CPU 0.72s WALL ( 7923 calls) General routines calbec : 0.70s CPU 0.66s WALL ( 7923 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 16.20s CPU 16.87s WALL ( 388116 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.13s WALL ( 958 calls) Parallel routines fft_scatter : 7.14s CPU 7.79s WALL ( 388139 calls) PWSCF : 46.18s CPU 59.64s WALL This run was terminated on: 18:24:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=