Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:52:39 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: ./CuSe2.save/ file Cu.rel-pbe-dn-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 35 27 8 1345 919 148 Max 37 28 9 1348 930 152 Sum 1265 987 295 48457 33261 5389 bravais-lattice index = 14 lattice parameter (alat) = 7.0804 a.u. unit-cell volume = 786.8211 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.080425 celldm(2)= 1.340504 celldm(3)= 1.653598 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 1.340504 0.000000 ) a(3) = ( 0.000000 0.000000 1.653598 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.745988 -0.000000 ) b(3) = ( 0.000000 0.000000 0.604742 ) PseudoPot. # 1 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 PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) 8 Sym. Ops., with inversion, found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.6702519 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8267989 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6702519 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8267989 ) 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 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.6702519 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8267989 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.6702519 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8267989 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 412 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0024272 k( 5) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0024272 k( 6) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0024272 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0024272 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0024272 k( 9) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0024272 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0024272 k( 11) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0024272 k( 12) = ( 0.1309524 -0.0000000 -0.0000000), wk = 0.0024272 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0024272 k( 14) = ( 0.1547619 -0.0000000 -0.0000000), wk = 0.0024272 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0024272 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0024272 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0024272 k( 18) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0024272 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0024272 k( 20) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0024272 k( 21) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0024272 k( 22) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0024272 k( 23) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0024272 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0024272 k( 25) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0024272 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0024272 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0024272 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0024272 k( 29) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0024272 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0024272 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0024272 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0024272 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0024272 k( 34) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0024272 k( 35) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0024272 k( 36) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0024272 k( 37) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0024272 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0024272 k( 39) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0024272 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0024272 k( 41) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0024272 k( 42) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0024272 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024272 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024272 k( 45) = ( 0.5000000 0.0116561 -0.0000000), wk = 0.0024272 k( 46) = ( 0.5000000 0.0233121 -0.0000000), wk = 0.0024272 k( 47) = ( 0.5000000 0.0349682 -0.0000000), wk = 0.0024272 k( 48) = ( 0.5000000 0.0466243 -0.0000000), wk = 0.0024272 k( 49) = ( 0.5000000 0.0582803 -0.0000000), wk = 0.0024272 k( 50) = ( 0.5000000 0.0699364 -0.0000000), wk = 0.0024272 k( 51) = ( 0.5000000 0.0815925 -0.0000000), wk = 0.0024272 k( 52) = ( 0.5000000 0.0932485 -0.0000000), wk = 0.0024272 k( 53) = ( 0.5000000 0.1049046 -0.0000000), wk = 0.0024272 k( 54) = ( 0.5000000 0.1165606 -0.0000000), wk = 0.0024272 k( 55) = ( 0.5000000 0.1282167 -0.0000000), wk = 0.0024272 k( 56) = ( 0.5000000 0.1398728 -0.0000000), wk = 0.0024272 k( 57) = ( 0.5000000 0.1515288 -0.0000000), wk = 0.0024272 k( 58) = ( 0.5000000 0.1631849 -0.0000000), wk = 0.0024272 k( 59) = ( 0.5000000 0.1748410 -0.0000000), wk = 0.0024272 k( 60) = ( 0.5000000 0.1864970 -0.0000000), wk = 0.0024272 k( 61) = ( 0.5000000 0.1981531 -0.0000000), wk = 0.0024272 k( 62) = ( 0.5000000 0.2098092 -0.0000000), wk = 0.0024272 k( 63) = ( 0.5000000 0.2214652 -0.0000000), wk = 0.0024272 k( 64) = ( 0.5000000 0.2331213 -0.0000000), wk = 0.0024272 k( 65) = ( 0.5000000 0.2447774 -0.0000000), wk = 0.0024272 k( 66) = ( 0.5000000 0.2564334 -0.0000000), wk = 0.0024272 k( 67) = ( 0.5000000 0.2680895 -0.0000000), wk = 0.0024272 k( 68) = ( 0.5000000 0.2797456 -0.0000000), wk = 0.0024272 k( 69) = ( 0.5000000 0.2914016 -0.0000000), wk = 0.0024272 k( 70) = ( 0.5000000 0.3030577 -0.0000000), wk = 0.0024272 k( 71) = ( 0.5000000 0.3147137 -0.0000000), wk = 0.0024272 k( 72) = ( 0.5000000 0.3263698 -0.0000000), wk = 0.0024272 k( 73) = ( 0.5000000 0.3380259 -0.0000000), wk = 0.0024272 k( 74) = ( 0.5000000 0.3496819 -0.0000000), wk = 0.0024272 k( 75) = ( 0.5000000 0.3613380 -0.0000000), wk = 0.0024272 k( 76) = ( 0.5000000 0.3729941 -0.0000000), wk = 0.0024272 k( 77) = ( 0.5000000 0.3729941 -0.0000000), wk = 0.0024272 k( 78) = ( 0.4880952 0.3729941 -0.0000000), wk = 0.0024272 k( 79) = ( 0.4761905 0.3729941 -0.0000000), wk = 0.0024272 k( 80) = ( 0.4642857 0.3729941 -0.0000000), wk = 0.0024272 k( 81) = ( 0.4523810 0.3729941 -0.0000000), wk = 0.0024272 k( 82) = ( 0.4404762 0.3729941 -0.0000000), wk = 0.0024272 k( 83) = ( 0.4285714 0.3729941 -0.0000000), wk = 0.0024272 k( 84) = ( 0.4166667 0.3729941 -0.0000000), wk = 0.0024272 k( 85) = ( 0.4047619 0.3729941 -0.0000000), wk = 0.0024272 k( 86) = ( 0.3928571 0.3729941 -0.0000000), wk = 0.0024272 k( 87) = ( 0.3809524 0.3729941 -0.0000000), wk = 0.0024272 k( 88) = ( 0.3690476 0.3729941 -0.0000000), wk = 0.0024272 k( 89) = ( 0.3571429 0.3729941 -0.0000000), wk = 0.0024272 k( 90) = ( 0.3452381 0.3729941 -0.0000000), wk = 0.0024272 k( 91) = ( 0.3333333 0.3729941 -0.0000000), wk = 0.0024272 k( 92) = ( 0.3214286 0.3729941 -0.0000000), wk = 0.0024272 k( 93) = ( 0.3095238 0.3729941 -0.0000000), wk = 0.0024272 k( 94) = ( 0.2976190 0.3729941 -0.0000000), wk = 0.0024272 k( 95) = ( 0.2857143 0.3729941 -0.0000000), wk = 0.0024272 k( 96) = ( 0.2738095 0.3729941 -0.0000000), wk = 0.0024272 k( 97) = ( 0.2619048 0.3729941 -0.0000000), wk = 0.0024272 k( 98) = ( 0.2500000 0.3729941 -0.0000000), wk = 0.0024272 k( 99) = ( 0.2380952 0.3729941 -0.0000000), wk = 0.0024272 k( 100) = ( 0.2261905 0.3729941 -0.0000000), wk = 0.0024272 k( 101) = ( 0.2142857 0.3729941 -0.0000000), wk = 0.0024272 k( 102) = ( 0.2023810 0.3729941 -0.0000000), wk = 0.0024272 k( 103) = ( 0.1904762 0.3729941 -0.0000000), wk = 0.0024272 k( 104) = ( 0.1785714 0.3729941 -0.0000000), wk = 0.0024272 k( 105) = ( 0.1666667 0.3729941 -0.0000000), wk = 0.0024272 k( 106) = ( 0.1547619 0.3729941 -0.0000000), wk = 0.0024272 k( 107) = ( 0.1428571 0.3729941 -0.0000000), wk = 0.0024272 k( 108) = ( 0.1309524 0.3729941 -0.0000000), wk = 0.0024272 k( 109) = ( 0.1190476 0.3729941 -0.0000000), wk = 0.0024272 k( 110) = ( 0.1071429 0.3729941 -0.0000000), wk = 0.0024272 k( 111) = ( 0.0952381 0.3729941 -0.0000000), wk = 0.0024272 k( 112) = ( 0.0833333 0.3729941 -0.0000000), wk = 0.0024272 k( 113) = ( 0.0714286 0.3729941 -0.0000000), wk = 0.0024272 k( 114) = ( 0.0595238 0.3729941 -0.0000000), wk = 0.0024272 k( 115) = ( 0.0476191 0.3729941 -0.0000000), wk = 0.0024272 k( 116) = ( 0.0357143 0.3729941 -0.0000000), wk = 0.0024272 k( 117) = ( 0.0238095 0.3729941 -0.0000000), wk = 0.0024272 k( 118) = ( 0.0119048 0.3729941 -0.0000000), wk = 0.0024272 k( 119) = ( 0.0000000 0.3729941 -0.0000000), wk = 0.0024272 k( 120) = ( 0.0000000 0.3729941 -0.0000000), wk = 0.0024272 k( 121) = ( 0.0000000 0.3613380 -0.0000000), wk = 0.0024272 k( 122) = ( 0.0000000 0.3496819 -0.0000000), wk = 0.0024272 k( 123) = ( 0.0000000 0.3380259 -0.0000000), wk = 0.0024272 k( 124) = ( 0.0000000 0.3263698 -0.0000000), wk = 0.0024272 k( 125) = ( 0.0000000 0.3147137 -0.0000000), wk = 0.0024272 k( 126) = ( 0.0000000 0.3030577 -0.0000000), wk = 0.0024272 k( 127) = ( 0.0000000 0.2914016 -0.0000000), wk = 0.0024272 k( 128) = ( 0.0000000 0.2797456 -0.0000000), wk = 0.0024272 k( 129) = ( 0.0000000 0.2680895 -0.0000000), wk = 0.0024272 k( 130) = ( 0.0000000 0.2564334 -0.0000000), wk = 0.0024272 k( 131) = ( 0.0000000 0.2447774 -0.0000000), wk = 0.0024272 k( 132) = ( 0.0000000 0.2331213 -0.0000000), wk = 0.0024272 k( 133) = ( 0.0000000 0.2214652 -0.0000000), wk = 0.0024272 k( 134) = ( 0.0000000 0.2098092 -0.0000000), wk = 0.0024272 k( 135) = ( 0.0000000 0.1981531 -0.0000000), wk = 0.0024272 k( 136) = ( 0.0000000 0.1864970 -0.0000000), wk = 0.0024272 k( 137) = ( 0.0000000 0.1748410 -0.0000000), wk = 0.0024272 k( 138) = ( 0.0000000 0.1631849 -0.0000000), wk = 0.0024272 k( 139) = ( 0.0000000 0.1515288 -0.0000000), wk = 0.0024272 k( 140) = ( 0.0000000 0.1398728 -0.0000000), wk = 0.0024272 k( 141) = ( 0.0000000 0.1282167 -0.0000000), wk = 0.0024272 k( 142) = ( 0.0000000 0.1165606 -0.0000000), wk = 0.0024272 k( 143) = ( 0.0000000 0.1049046 -0.0000000), wk = 0.0024272 k( 144) = ( 0.0000000 0.0932485 -0.0000000), wk = 0.0024272 k( 145) = ( 0.0000000 0.0815925 -0.0000000), wk = 0.0024272 k( 146) = ( 0.0000000 0.0699364 -0.0000000), wk = 0.0024272 k( 147) = ( 0.0000000 0.0582803 -0.0000000), wk = 0.0024272 k( 148) = ( 0.0000000 0.0466243 -0.0000000), wk = 0.0024272 k( 149) = ( 0.0000000 0.0349682 -0.0000000), wk = 0.0024272 k( 150) = ( 0.0000000 0.0233121 -0.0000000), wk = 0.0024272 k( 151) = ( 0.0000000 0.0116561 -0.0000000), wk = 0.0024272 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 154) = ( 0.0000000 0.0000000 0.0116297), wk = 0.0024272 k( 155) = ( 0.0000000 0.0000000 0.0232593), wk = 0.0024272 k( 156) = ( 0.0000000 0.0000000 0.0348890), wk = 0.0024272 k( 157) = ( 0.0000000 0.0000000 0.0465186), wk = 0.0024272 k( 158) = ( 0.0000000 0.0000000 0.0581483), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.0697779), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.0814076), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.0930372), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.1046669), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.1162965), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.1279262), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.1395558), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.1511855), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.1628152), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.1744448), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.1860745), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.1977041), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.2093338), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.2209634), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.2325931), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.2442227), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.2558524), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.2674820), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.2791117), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.2907413), wk = 0.0024272 k( 179) = ( 0.0000000 0.0000000 0.3023710), wk = 0.0024272 k( 180) = ( 0.0000000 0.0000000 0.3023710), wk = 0.0024272 k( 181) = ( 0.0119048 -0.0000000 0.3023710), wk = 0.0024272 k( 182) = ( 0.0238095 -0.0000000 0.3023710), wk = 0.0024272 k( 183) = ( 0.0357143 -0.0000000 0.3023710), wk = 0.0024272 k( 184) = ( 0.0476191 -0.0000000 0.3023710), wk = 0.0024272 k( 185) = ( 0.0595238 -0.0000000 0.3023710), wk = 0.0024272 k( 186) = ( 0.0714286 -0.0000000 0.3023710), wk = 0.0024272 k( 187) = ( 0.0833333 -0.0000000 0.3023710), wk = 0.0024272 k( 188) = ( 0.0952381 -0.0000000 0.3023710), wk = 0.0024272 k( 189) = ( 0.1071429 -0.0000000 0.3023710), wk = 0.0024272 k( 190) = ( 0.1190476 -0.0000000 0.3023710), wk = 0.0024272 k( 191) = ( 0.1309524 -0.0000000 0.3023710), wk = 0.0024272 k( 192) = ( 0.1428571 -0.0000000 0.3023710), wk = 0.0024272 k( 193) = ( 0.1547619 -0.0000000 0.3023710), wk = 0.0024272 k( 194) = ( 0.1666667 -0.0000000 0.3023710), wk = 0.0024272 k( 195) = ( 0.1785714 -0.0000000 0.3023710), wk = 0.0024272 k( 196) = ( 0.1904762 -0.0000000 0.3023710), wk = 0.0024272 k( 197) = ( 0.2023810 -0.0000000 0.3023710), wk = 0.0024272 k( 198) = ( 0.2142857 -0.0000000 0.3023710), wk = 0.0024272 k( 199) = ( 0.2261905 -0.0000000 0.3023710), wk = 0.0024272 k( 200) = ( 0.2380952 -0.0000000 0.3023710), wk = 0.0024272 k( 201) = ( 0.2500000 -0.0000000 0.3023710), wk = 0.0024272 k( 202) = ( 0.2619048 -0.0000000 0.3023710), wk = 0.0024272 k( 203) = ( 0.2738095 -0.0000000 0.3023710), wk = 0.0024272 k( 204) = ( 0.2857143 -0.0000000 0.3023710), wk = 0.0024272 k( 205) = ( 0.2976190 -0.0000000 0.3023710), wk = 0.0024272 k( 206) = ( 0.3095238 -0.0000000 0.3023710), wk = 0.0024272 k( 207) = ( 0.3214286 -0.0000000 0.3023710), wk = 0.0024272 k( 208) = ( 0.3333333 -0.0000000 0.3023710), wk = 0.0024272 k( 209) = ( 0.3452381 -0.0000000 0.3023710), wk = 0.0024272 k( 210) = ( 0.3571429 -0.0000000 0.3023710), wk = 0.0024272 k( 211) = ( 0.3690476 -0.0000000 0.3023710), wk = 0.0024272 k( 212) = ( 0.3809524 -0.0000000 0.3023710), wk = 0.0024272 k( 213) = ( 0.3928571 -0.0000000 0.3023710), wk = 0.0024272 k( 214) = ( 0.4047619 -0.0000000 0.3023710), wk = 0.0024272 k( 215) = ( 0.4166667 -0.0000000 0.3023710), wk = 0.0024272 k( 216) = ( 0.4285714 -0.0000000 0.3023710), wk = 0.0024272 k( 217) = ( 0.4404762 -0.0000000 0.3023710), wk = 0.0024272 k( 218) = ( 0.4523810 -0.0000000 0.3023710), wk = 0.0024272 k( 219) = ( 0.4642857 -0.0000000 0.3023710), wk = 0.0024272 k( 220) = ( 0.4761905 -0.0000000 0.3023710), wk = 0.0024272 k( 221) = ( 0.4880952 -0.0000000 0.3023710), wk = 0.0024272 k( 222) = ( 0.5000000 -0.0000000 0.3023710), wk = 0.0024272 k( 223) = ( 0.5000000 -0.0000000 0.3023710), wk = 0.0024272 k( 224) = ( 0.5000000 0.0116561 0.3023710), wk = 0.0024272 k( 225) = ( 0.5000000 0.0233121 0.3023710), wk = 0.0024272 k( 226) = ( 0.5000000 0.0349682 0.3023710), wk = 0.0024272 k( 227) = ( 0.5000000 0.0466243 0.3023710), wk = 0.0024272 k( 228) = ( 0.5000000 0.0582803 0.3023710), wk = 0.0024272 k( 229) = ( 0.5000000 0.0699364 0.3023710), wk = 0.0024272 k( 230) = ( 0.5000000 0.0815925 0.3023710), wk = 0.0024272 k( 231) = ( 0.5000000 0.0932485 0.3023710), wk = 0.0024272 k( 232) = ( 0.5000000 0.1049046 0.3023710), wk = 0.0024272 k( 233) = ( 0.5000000 0.1165606 0.3023710), wk = 0.0024272 k( 234) = ( 0.5000000 0.1282167 0.3023710), wk = 0.0024272 k( 235) = ( 0.5000000 0.1398728 0.3023710), wk = 0.0024272 k( 236) = ( 0.5000000 0.1515288 0.3023710), wk = 0.0024272 k( 237) = ( 0.5000000 0.1631849 0.3023710), wk = 0.0024272 k( 238) = ( 0.5000000 0.1748410 0.3023710), wk = 0.0024272 k( 239) = ( 0.5000000 0.1864970 0.3023710), wk = 0.0024272 k( 240) = ( 0.5000000 0.1981531 0.3023710), wk = 0.0024272 k( 241) = ( 0.5000000 0.2098092 0.3023710), wk = 0.0024272 k( 242) = ( 0.5000000 0.2214652 0.3023710), wk = 0.0024272 k( 243) = ( 0.5000000 0.2331213 0.3023710), wk = 0.0024272 k( 244) = ( 0.5000000 0.2447774 0.3023710), wk = 0.0024272 k( 245) = ( 0.5000000 0.2564334 0.3023710), wk = 0.0024272 k( 246) = ( 0.5000000 0.2680895 0.3023710), wk = 0.0024272 k( 247) = ( 0.5000000 0.2797456 0.3023710), wk = 0.0024272 k( 248) = ( 0.5000000 0.2914016 0.3023710), wk = 0.0024272 k( 249) = ( 0.5000000 0.3030577 0.3023710), wk = 0.0024272 k( 250) = ( 0.5000000 0.3147137 0.3023710), wk = 0.0024272 k( 251) = ( 0.5000000 0.3263698 0.3023710), wk = 0.0024272 k( 252) = ( 0.5000000 0.3380259 0.3023710), wk = 0.0024272 k( 253) = ( 0.5000000 0.3496819 0.3023710), wk = 0.0024272 k( 254) = ( 0.5000000 0.3613380 0.3023710), wk = 0.0024272 k( 255) = ( 0.5000000 0.3729941 0.3023710), wk = 0.0024272 k( 256) = ( 0.5000000 0.3729941 0.3023710), wk = 0.0024272 k( 257) = ( 0.4880952 0.3729941 0.3023710), wk = 0.0024272 k( 258) = ( 0.4761905 0.3729941 0.3023710), wk = 0.0024272 k( 259) = ( 0.4642857 0.3729941 0.3023710), wk = 0.0024272 k( 260) = ( 0.4523810 0.3729941 0.3023710), wk = 0.0024272 k( 261) = ( 0.4404762 0.3729941 0.3023710), wk = 0.0024272 k( 262) = ( 0.4285714 0.3729941 0.3023710), wk = 0.0024272 k( 263) = ( 0.4166667 0.3729941 0.3023710), wk = 0.0024272 k( 264) = ( 0.4047619 0.3729941 0.3023710), wk = 0.0024272 k( 265) = ( 0.3928571 0.3729941 0.3023710), wk = 0.0024272 k( 266) = ( 0.3809524 0.3729941 0.3023710), wk = 0.0024272 k( 267) = ( 0.3690476 0.3729941 0.3023710), wk = 0.0024272 k( 268) = ( 0.3571429 0.3729941 0.3023710), wk = 0.0024272 k( 269) = ( 0.3452381 0.3729941 0.3023710), wk = 0.0024272 k( 270) = ( 0.3333333 0.3729941 0.3023710), wk = 0.0024272 k( 271) = ( 0.3214286 0.3729941 0.3023710), wk = 0.0024272 k( 272) = ( 0.3095238 0.3729941 0.3023710), wk = 0.0024272 k( 273) = ( 0.2976190 0.3729941 0.3023710), wk = 0.0024272 k( 274) = ( 0.2857143 0.3729941 0.3023710), wk = 0.0024272 k( 275) = ( 0.2738095 0.3729941 0.3023710), wk = 0.0024272 k( 276) = ( 0.2619048 0.3729941 0.3023710), wk = 0.0024272 k( 277) = ( 0.2500000 0.3729941 0.3023710), wk = 0.0024272 k( 278) = ( 0.2380952 0.3729941 0.3023710), wk = 0.0024272 k( 279) = ( 0.2261905 0.3729941 0.3023710), wk = 0.0024272 k( 280) = ( 0.2142857 0.3729941 0.3023710), wk = 0.0024272 k( 281) = ( 0.2023810 0.3729941 0.3023710), wk = 0.0024272 k( 282) = ( 0.1904762 0.3729941 0.3023710), wk = 0.0024272 k( 283) = ( 0.1785714 0.3729941 0.3023710), wk = 0.0024272 k( 284) = ( 0.1666667 0.3729941 0.3023710), wk = 0.0024272 k( 285) = ( 0.1547619 0.3729941 0.3023710), wk = 0.0024272 k( 286) = ( 0.1428571 0.3729941 0.3023710), wk = 0.0024272 k( 287) = ( 0.1309524 0.3729941 0.3023710), wk = 0.0024272 k( 288) = ( 0.1190476 0.3729941 0.3023710), wk = 0.0024272 k( 289) = ( 0.1071429 0.3729941 0.3023710), wk = 0.0024272 k( 290) = ( 0.0952381 0.3729941 0.3023710), wk = 0.0024272 k( 291) = ( 0.0833333 0.3729941 0.3023710), wk = 0.0024272 k( 292) = ( 0.0714286 0.3729941 0.3023710), wk = 0.0024272 k( 293) = ( 0.0595238 0.3729941 0.3023710), wk = 0.0024272 k( 294) = ( 0.0476191 0.3729941 0.3023710), wk = 0.0024272 k( 295) = ( 0.0357143 0.3729941 0.3023710), wk = 0.0024272 k( 296) = ( 0.0238095 0.3729941 0.3023710), wk = 0.0024272 k( 297) = ( 0.0119048 0.3729941 0.3023710), wk = 0.0024272 k( 298) = ( 0.0000000 0.3729941 0.3023710), wk = 0.0024272 k( 299) = ( 0.0000000 0.3729941 0.3023710), wk = 0.0024272 k( 300) = ( 0.0000000 0.3613380 0.3023710), wk = 0.0024272 k( 301) = ( 0.0000000 0.3496819 0.3023710), wk = 0.0024272 k( 302) = ( 0.0000000 0.3380259 0.3023710), wk = 0.0024272 k( 303) = ( 0.0000000 0.3263698 0.3023710), wk = 0.0024272 k( 304) = ( 0.0000000 0.3147137 0.3023710), wk = 0.0024272 k( 305) = ( 0.0000000 0.3030577 0.3023710), wk = 0.0024272 k( 306) = ( 0.0000000 0.2914016 0.3023710), wk = 0.0024272 k( 307) = ( 0.0000000 0.2797456 0.3023710), wk = 0.0024272 k( 308) = ( 0.0000000 0.2680895 0.3023710), wk = 0.0024272 k( 309) = ( 0.0000000 0.2564334 0.3023710), wk = 0.0024272 k( 310) = ( 0.0000000 0.2447774 0.3023710), wk = 0.0024272 k( 311) = ( 0.0000000 0.2331213 0.3023710), wk = 0.0024272 k( 312) = ( 0.0000000 0.2214652 0.3023710), wk = 0.0024272 k( 313) = ( 0.0000000 0.2098092 0.3023710), wk = 0.0024272 k( 314) = ( 0.0000000 0.1981531 0.3023710), wk = 0.0024272 k( 315) = ( 0.0000000 0.1864970 0.3023710), wk = 0.0024272 k( 316) = ( 0.0000000 0.1748410 0.3023710), wk = 0.0024272 k( 317) = ( 0.0000000 0.1631849 0.3023710), wk = 0.0024272 k( 318) = ( 0.0000000 0.1515288 0.3023710), wk = 0.0024272 k( 319) = ( 0.0000000 0.1398728 0.3023710), wk = 0.0024272 k( 320) = ( 0.0000000 0.1282167 0.3023710), wk = 0.0024272 k( 321) = ( 0.0000000 0.1165606 0.3023710), wk = 0.0024272 k( 322) = ( 0.0000000 0.1049046 0.3023710), wk = 0.0024272 k( 323) = ( 0.0000000 0.0932485 0.3023710), wk = 0.0024272 k( 324) = ( 0.0000000 0.0815925 0.3023710), wk = 0.0024272 k( 325) = ( 0.0000000 0.0699364 0.3023710), wk = 0.0024272 k( 326) = ( 0.0000000 0.0582803 0.3023710), wk = 0.0024272 k( 327) = ( 0.0000000 0.0466243 0.3023710), wk = 0.0024272 k( 328) = ( 0.0000000 0.0349682 0.3023710), wk = 0.0024272 k( 329) = ( 0.0000000 0.0233121 0.3023710), wk = 0.0024272 k( 330) = ( 0.0000000 0.0116561 0.3023710), wk = 0.0024272 k( 331) = ( 0.0000000 0.0000000 0.3023710), wk = 0.0024272 k( 332) = ( 0.0000000 0.3729941 -0.0000000), wk = 0.0024272 k( 333) = ( 0.0000000 0.3729941 0.0116297), wk = 0.0024272 k( 334) = ( 0.0000000 0.3729941 0.0232593), wk = 0.0024272 k( 335) = ( 0.0000000 0.3729941 0.0348890), wk = 0.0024272 k( 336) = ( 0.0000000 0.3729941 0.0465186), wk = 0.0024272 k( 337) = ( 0.0000000 0.3729941 0.0581483), wk = 0.0024272 k( 338) = ( 0.0000000 0.3729941 0.0697779), wk = 0.0024272 k( 339) = ( 0.0000000 0.3729941 0.0814076), wk = 0.0024272 k( 340) = ( 0.0000000 0.3729941 0.0930372), wk = 0.0024272 k( 341) = ( 0.0000000 0.3729941 0.1046669), wk = 0.0024272 k( 342) = ( 0.0000000 0.3729941 0.1162965), wk = 0.0024272 k( 343) = ( 0.0000000 0.3729941 0.1279262), wk = 0.0024272 k( 344) = ( 0.0000000 0.3729941 0.1395558), wk = 0.0024272 k( 345) = ( 0.0000000 0.3729941 0.1511855), wk = 0.0024272 k( 346) = ( 0.0000000 0.3729941 0.1628152), wk = 0.0024272 k( 347) = ( 0.0000000 0.3729941 0.1744448), wk = 0.0024272 k( 348) = ( 0.0000000 0.3729941 0.1860745), wk = 0.0024272 k( 349) = ( 0.0000000 0.3729941 0.1977041), wk = 0.0024272 k( 350) = ( 0.0000000 0.3729941 0.2093338), wk = 0.0024272 k( 351) = ( 0.0000000 0.3729941 0.2209634), wk = 0.0024272 k( 352) = ( 0.0000000 0.3729941 0.2325931), wk = 0.0024272 k( 353) = ( 0.0000000 0.3729941 0.2442227), wk = 0.0024272 k( 354) = ( 0.0000000 0.3729941 0.2558524), wk = 0.0024272 k( 355) = ( 0.0000000 0.3729941 0.2674820), wk = 0.0024272 k( 356) = ( 0.0000000 0.3729941 0.2791117), wk = 0.0024272 k( 357) = ( 0.0000000 0.3729941 0.2907413), wk = 0.0024272 k( 358) = ( 0.0000000 0.3729941 0.3023710), wk = 0.0024272 k( 359) = ( 0.5000000 -0.0000000 0.3023710), wk = 0.0024272 k( 360) = ( 0.5000000 -0.0000000 0.2907413), wk = 0.0024272 k( 361) = ( 0.5000000 -0.0000000 0.2791117), wk = 0.0024272 k( 362) = ( 0.5000000 -0.0000000 0.2674820), wk = 0.0024272 k( 363) = ( 0.5000000 -0.0000000 0.2558524), wk = 0.0024272 k( 364) = ( 0.5000000 -0.0000000 0.2442227), wk = 0.0024272 k( 365) = ( 0.5000000 -0.0000000 0.2325931), wk = 0.0024272 k( 366) = ( 0.5000000 -0.0000000 0.2209634), wk = 0.0024272 k( 367) = ( 0.5000000 -0.0000000 0.2093338), wk = 0.0024272 k( 368) = ( 0.5000000 -0.0000000 0.1977041), wk = 0.0024272 k( 369) = ( 0.5000000 -0.0000000 0.1860745), wk = 0.0024272 k( 370) = ( 0.5000000 -0.0000000 0.1744448), wk = 0.0024272 k( 371) = ( 0.5000000 -0.0000000 0.1628152), wk = 0.0024272 k( 372) = ( 0.5000000 -0.0000000 0.1511855), wk = 0.0024272 k( 373) = ( 0.5000000 -0.0000000 0.1395558), wk = 0.0024272 k( 374) = ( 0.5000000 -0.0000000 0.1279262), wk = 0.0024272 k( 375) = ( 0.5000000 -0.0000000 0.1162965), wk = 0.0024272 k( 376) = ( 0.5000000 -0.0000000 0.1046669), wk = 0.0024272 k( 377) = ( 0.5000000 -0.0000000 0.0930372), wk = 0.0024272 k( 378) = ( 0.5000000 -0.0000000 0.0814076), wk = 0.0024272 k( 379) = ( 0.5000000 -0.0000000 0.0697779), wk = 0.0024272 k( 380) = ( 0.5000000 -0.0000000 0.0581483), wk = 0.0024272 k( 381) = ( 0.5000000 -0.0000000 0.0465186), wk = 0.0024272 k( 382) = ( 0.5000000 -0.0000000 0.0348890), wk = 0.0024272 k( 383) = ( 0.5000000 -0.0000000 0.0232593), wk = 0.0024272 k( 384) = ( 0.5000000 -0.0000000 0.0116297), wk = 0.0024272 k( 385) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024272 k( 386) = ( 0.5000000 0.3729941 -0.0000000), wk = 0.0024272 k( 387) = ( 0.5000000 0.3729941 0.0116297), wk = 0.0024272 k( 388) = ( 0.5000000 0.3729941 0.0232593), wk = 0.0024272 k( 389) = ( 0.5000000 0.3729941 0.0348890), wk = 0.0024272 k( 390) = ( 0.5000000 0.3729941 0.0465186), wk = 0.0024272 k( 391) = ( 0.5000000 0.3729941 0.0581483), wk = 0.0024272 k( 392) = ( 0.5000000 0.3729941 0.0697779), wk = 0.0024272 k( 393) = ( 0.5000000 0.3729941 0.0814076), wk = 0.0024272 k( 394) = ( 0.5000000 0.3729941 0.0930372), wk = 0.0024272 k( 395) = ( 0.5000000 0.3729941 0.1046669), wk = 0.0024272 k( 396) = ( 0.5000000 0.3729941 0.1162965), wk = 0.0024272 k( 397) = ( 0.5000000 0.3729941 0.1279262), wk = 0.0024272 k( 398) = ( 0.5000000 0.3729941 0.1395558), wk = 0.0024272 k( 399) = ( 0.5000000 0.3729941 0.1511855), wk = 0.0024272 k( 400) = ( 0.5000000 0.3729941 0.1628152), wk = 0.0024272 k( 401) = ( 0.5000000 0.3729941 0.1744448), wk = 0.0024272 k( 402) = ( 0.5000000 0.3729941 0.1860745), wk = 0.0024272 k( 403) = ( 0.5000000 0.3729941 0.1977041), wk = 0.0024272 k( 404) = ( 0.5000000 0.3729941 0.2093338), wk = 0.0024272 k( 405) = ( 0.5000000 0.3729941 0.2209634), wk = 0.0024272 k( 406) = ( 0.5000000 0.3729941 0.2325931), wk = 0.0024272 k( 407) = ( 0.5000000 0.3729941 0.2442227), wk = 0.0024272 k( 408) = ( 0.5000000 0.3729941 0.2558524), wk = 0.0024272 k( 409) = ( 0.5000000 0.3729941 0.2674820), wk = 0.0024272 k( 410) = ( 0.5000000 0.3729941 0.2791117), wk = 0.0024272 k( 411) = ( 0.5000000 0.3729941 0.2907413), wk = 0.0024272 k( 412) = ( 0.5000000 0.3729941 0.3023710), wk = 0.0024272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( 0.0119048 0.0000000 -0.0000000), wk = 0.0024272 k( 3) = ( 0.0238095 0.0000000 -0.0000000), wk = 0.0024272 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0024272 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0024272 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0024272 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0024272 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0024272 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0024272 k( 10) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0024272 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0024272 k( 12) = ( 0.1309524 -0.0000000 0.0000000), wk = 0.0024272 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0024272 k( 14) = ( 0.1547619 0.0000000 -0.0000000), wk = 0.0024272 k( 15) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0024272 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0024272 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0024272 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0024272 k( 19) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0024272 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0024272 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0024272 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0024272 k( 23) = ( 0.2619048 -0.0000000 0.0000000), wk = 0.0024272 k( 24) = ( 0.2738095 0.0000000 0.0000000), wk = 0.0024272 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0024272 k( 26) = ( 0.2976190 0.0000000 -0.0000000), wk = 0.0024272 k( 27) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0024272 k( 28) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0024272 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0024272 k( 30) = ( 0.3452381 0.0000000 -0.0000000), wk = 0.0024272 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0024272 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0024272 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0024272 k( 34) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0024272 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0024272 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0024272 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0024272 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0024272 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0024272 k( 40) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0024272 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0024272 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0024272 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024272 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024272 k( 45) = ( 0.5000000 0.0156250 -0.0000000), wk = 0.0024272 k( 46) = ( 0.5000000 0.0312500 0.0000000), wk = 0.0024272 k( 47) = ( 0.5000000 0.0468750 0.0000000), wk = 0.0024272 k( 48) = ( 0.5000000 0.0625000 -0.0000000), wk = 0.0024272 k( 49) = ( 0.5000000 0.0781250 -0.0000000), wk = 0.0024272 k( 50) = ( 0.5000000 0.0937500 0.0000000), wk = 0.0024272 k( 51) = ( 0.5000000 0.1093750 0.0000000), wk = 0.0024272 k( 52) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0024272 k( 53) = ( 0.5000000 0.1406250 0.0000000), wk = 0.0024272 k( 54) = ( 0.5000000 0.1562500 -0.0000000), wk = 0.0024272 k( 55) = ( 0.5000000 0.1718750 -0.0000000), wk = 0.0024272 k( 56) = ( 0.5000000 0.1875000 -0.0000000), wk = 0.0024272 k( 57) = ( 0.5000000 0.2031250 -0.0000000), wk = 0.0024272 k( 58) = ( 0.5000000 0.2187500 0.0000000), wk = 0.0024272 k( 59) = ( 0.5000000 0.2343750 -0.0000000), wk = 0.0024272 k( 60) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0024272 k( 61) = ( 0.5000000 0.2656250 -0.0000000), wk = 0.0024272 k( 62) = ( 0.5000000 0.2812500 0.0000000), wk = 0.0024272 k( 63) = ( 0.5000000 0.2968750 0.0000000), wk = 0.0024272 k( 64) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0024272 k( 65) = ( 0.5000000 0.3281250 -0.0000000), wk = 0.0024272 k( 66) = ( 0.5000000 0.3437500 0.0000000), wk = 0.0024272 k( 67) = ( 0.5000000 0.3593750 0.0000000), wk = 0.0024272 k( 68) = ( 0.5000000 0.3750000 -0.0000000), wk = 0.0024272 k( 69) = ( 0.5000000 0.3906250 -0.0000000), wk = 0.0024272 k( 70) = ( 0.5000000 0.4062500 0.0000000), wk = 0.0024272 k( 71) = ( 0.5000000 0.4218750 0.0000000), wk = 0.0024272 k( 72) = ( 0.5000000 0.4375000 0.0000000), wk = 0.0024272 k( 73) = ( 0.5000000 0.4531250 -0.0000000), wk = 0.0024272 k( 74) = ( 0.5000000 0.4687500 0.0000000), wk = 0.0024272 k( 75) = ( 0.5000000 0.4843750 0.0000000), wk = 0.0024272 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 78) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0024272 k( 79) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0024272 k( 80) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0024272 k( 81) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0024272 k( 82) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0024272 k( 83) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0024272 k( 84) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0024272 k( 85) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0024272 k( 86) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0024272 k( 87) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0024272 k( 88) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0024272 k( 89) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0024272 k( 90) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0024272 k( 91) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024272 k( 92) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0024272 k( 93) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0024272 k( 94) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0024272 k( 95) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0024272 k( 96) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0024272 k( 97) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0024272 k( 98) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0024272 k( 99) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0024272 k( 100) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0024272 k( 101) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0024272 k( 102) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0024272 k( 103) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0024272 k( 104) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0024272 k( 105) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0024272 k( 106) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0024272 k( 107) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0024272 k( 108) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0024272 k( 109) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0024272 k( 110) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0024272 k( 111) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0024272 k( 112) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0024272 k( 113) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0024272 k( 114) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0024272 k( 115) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0024272 k( 116) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0024272 k( 117) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0024272 k( 118) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0024272 k( 119) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024272 k( 120) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024272 k( 121) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0024272 k( 122) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0024272 k( 123) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0024272 k( 124) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0024272 k( 125) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0024272 k( 126) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0024272 k( 127) = ( 0.0000000 0.3906250 0.0000000), wk = 0.0024272 k( 128) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0024272 k( 129) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0024272 k( 130) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0024272 k( 131) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0024272 k( 132) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0024272 k( 133) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0024272 k( 134) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0024272 k( 135) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0024272 k( 136) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0024272 k( 137) = ( 0.0000000 0.2343750 0.0000000), wk = 0.0024272 k( 138) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0024272 k( 139) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0024272 k( 140) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0024272 k( 141) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0024272 k( 142) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0024272 k( 143) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0024272 k( 144) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0024272 k( 145) = ( 0.0000000 0.1093750 0.0000000), wk = 0.0024272 k( 146) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0024272 k( 147) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0024272 k( 148) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0024272 k( 149) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0024272 k( 150) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0024272 k( 151) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0024272 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 154) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0024272 k( 155) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0024272 k( 156) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0024272 k( 157) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0024272 k( 158) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.4038461), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0024272 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 181) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0024272 k( 182) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0024272 k( 183) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0024272 k( 184) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0024272 k( 185) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0024272 k( 186) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0024272 k( 187) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0024272 k( 188) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0024272 k( 189) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0024272 k( 190) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0024272 k( 191) = ( 0.1309524 -0.0000000 0.5000000), wk = 0.0024272 k( 192) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0024272 k( 193) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0024272 k( 194) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0024272 k( 195) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0024272 k( 196) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0024272 k( 197) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0024272 k( 198) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0024272 k( 199) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0024272 k( 200) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0024272 k( 201) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0024272 k( 202) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0024272 k( 203) = ( 0.2738095 0.0000000 0.5000000), wk = 0.0024272 k( 204) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0024272 k( 205) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0024272 k( 206) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0024272 k( 207) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0024272 k( 208) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0024272 k( 209) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0024272 k( 210) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0024272 k( 211) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0024272 k( 212) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0024272 k( 213) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0024272 k( 214) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0024272 k( 215) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0024272 k( 216) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0024272 k( 217) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0024272 k( 218) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0024272 k( 219) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0024272 k( 220) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0024272 k( 221) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0024272 k( 222) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 223) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 224) = ( 0.5000000 0.0156250 0.5000000), wk = 0.0024272 k( 225) = ( 0.5000000 0.0312500 0.5000000), wk = 0.0024272 k( 226) = ( 0.5000000 0.0468750 0.5000000), wk = 0.0024272 k( 227) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0024272 k( 228) = ( 0.5000000 0.0781250 0.5000000), wk = 0.0024272 k( 229) = ( 0.5000000 0.0937500 0.5000000), wk = 0.0024272 k( 230) = ( 0.5000000 0.1093750 0.5000000), wk = 0.0024272 k( 231) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0024272 k( 232) = ( 0.5000000 0.1406250 0.5000000), wk = 0.0024272 k( 233) = ( 0.5000000 0.1562500 0.5000000), wk = 0.0024272 k( 234) = ( 0.5000000 0.1718750 0.5000000), wk = 0.0024272 k( 235) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0024272 k( 236) = ( 0.5000000 0.2031250 0.5000000), wk = 0.0024272 k( 237) = ( 0.5000000 0.2187500 0.5000000), wk = 0.0024272 k( 238) = ( 0.5000000 0.2343750 0.5000000), wk = 0.0024272 k( 239) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0024272 k( 240) = ( 0.5000000 0.2656250 0.5000000), wk = 0.0024272 k( 241) = ( 0.5000000 0.2812500 0.5000000), wk = 0.0024272 k( 242) = ( 0.5000000 0.2968750 0.5000000), wk = 0.0024272 k( 243) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0024272 k( 244) = ( 0.5000000 0.3281250 0.5000000), wk = 0.0024272 k( 245) = ( 0.5000000 0.3437500 0.5000000), wk = 0.0024272 k( 246) = ( 0.5000000 0.3593750 0.5000000), wk = 0.0024272 k( 247) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0024272 k( 248) = ( 0.5000000 0.3906250 0.5000000), wk = 0.0024272 k( 249) = ( 0.5000000 0.4062500 0.5000000), wk = 0.0024272 k( 250) = ( 0.5000000 0.4218750 0.5000000), wk = 0.0024272 k( 251) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0024272 k( 252) = ( 0.5000000 0.4531250 0.5000000), wk = 0.0024272 k( 253) = ( 0.5000000 0.4687500 0.5000000), wk = 0.0024272 k( 254) = ( 0.5000000 0.4843750 0.5000000), wk = 0.0024272 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 k( 257) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0024272 k( 258) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0024272 k( 259) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0024272 k( 260) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0024272 k( 261) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0024272 k( 262) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0024272 k( 263) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0024272 k( 264) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0024272 k( 265) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0024272 k( 266) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0024272 k( 267) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0024272 k( 268) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0024272 k( 269) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0024272 k( 270) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0024272 k( 271) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0024272 k( 272) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0024272 k( 273) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0024272 k( 274) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0024272 k( 275) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0024272 k( 276) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0024272 k( 277) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0024272 k( 278) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0024272 k( 279) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0024272 k( 280) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0024272 k( 281) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0024272 k( 282) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0024272 k( 283) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0024272 k( 284) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0024272 k( 285) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0024272 k( 286) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0024272 k( 287) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0024272 k( 288) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0024272 k( 289) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0024272 k( 290) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0024272 k( 291) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0024272 k( 292) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0024272 k( 293) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0024272 k( 294) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0024272 k( 295) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0024272 k( 296) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0024272 k( 297) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0024272 k( 298) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 299) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 300) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0024272 k( 301) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0024272 k( 302) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0024272 k( 303) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0024272 k( 304) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0024272 k( 305) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0024272 k( 306) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0024272 k( 307) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0024272 k( 308) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0024272 k( 309) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0024272 k( 310) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0024272 k( 311) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0024272 k( 312) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0024272 k( 313) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0024272 k( 314) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0024272 k( 315) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0024272 k( 316) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0024272 k( 317) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0024272 k( 318) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0024272 k( 319) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0024272 k( 320) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0024272 k( 321) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0024272 k( 322) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0024272 k( 323) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0024272 k( 324) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0024272 k( 325) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0024272 k( 326) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0024272 k( 327) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0024272 k( 328) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0024272 k( 329) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0024272 k( 330) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0024272 k( 331) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 332) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024272 k( 333) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0024272 k( 334) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0024272 k( 335) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0024272 k( 336) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0024272 k( 337) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0024272 k( 338) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0024272 k( 339) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0024272 k( 340) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0024272 k( 341) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0024272 k( 342) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0024272 k( 343) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0024272 k( 344) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0024272 k( 345) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024272 k( 346) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0024272 k( 347) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0024272 k( 348) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0024272 k( 349) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0024272 k( 350) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0024272 k( 351) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0024272 k( 352) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0024272 k( 353) = ( 0.0000000 0.5000000 0.4038461), wk = 0.0024272 k( 354) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0024272 k( 355) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0024272 k( 356) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0024272 k( 357) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0024272 k( 358) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024272 k( 359) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024272 k( 360) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0024272 k( 361) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0024272 k( 362) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0024272 k( 363) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0024272 k( 364) = ( 0.5000000 0.0000000 0.4038461), wk = 0.0024272 k( 365) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0024272 k( 366) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0024272 k( 367) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0024272 k( 368) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0024272 k( 369) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0024272 k( 370) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0024272 k( 371) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0024272 k( 372) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0024272 k( 373) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0024272 k( 374) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0024272 k( 375) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0024272 k( 376) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0024272 k( 377) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0024272 k( 378) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0024272 k( 379) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0024272 k( 380) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0024272 k( 381) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0024272 k( 382) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0024272 k( 383) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0024272 k( 384) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0024272 k( 385) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024272 k( 386) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024272 k( 387) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0024272 k( 388) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0024272 k( 389) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0024272 k( 390) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0024272 k( 391) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0024272 k( 392) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0024272 k( 393) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0024272 k( 394) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0024272 k( 395) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0024272 k( 396) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0024272 k( 397) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0024272 k( 398) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0024272 k( 399) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024272 k( 400) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0024272 k( 401) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0024272 k( 402) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0024272 k( 403) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0024272 k( 404) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0024272 k( 405) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0024272 k( 406) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0024272 k( 407) = ( 0.5000000 0.5000000 0.4038461), wk = 0.0024272 k( 408) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0024272 k( 409) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0024272 k( 410) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0024272 k( 411) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0024272 k( 412) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024272 Dense grid: 48457 G-vectors FFT dimensions: ( 36, 48, 60) Smooth grid: 33261 G-vectors FFT dimensions: ( 32, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 244, 56) NL pseudopotentials 0.23 Mb ( 122, 124) Each V/rho on FFT grid 0.05 Mb ( 3456) Each G-vector array 0.01 Mb ( 1347) G-vector shells 0.01 Mb ( 672) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 244, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.21 Mb ( 124, 2, 56) The potential is recalculated from file : ./CuSe2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.4 secs Computing kpt #: 11 total cpu time spent up to now is 5.7 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.4 secs Computing kpt #: 14 total cpu time spent up to now is 6.8 secs Computing kpt #: 15 total cpu time spent up to now is 7.1 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.9 secs Computing kpt #: 18 total cpu time spent up to now is 8.2 secs Computing kpt #: 19 total cpu time spent up to now is 8.6 secs Computing kpt #: 20 total cpu time spent up to now is 9.0 secs Computing kpt #: 21 total cpu time spent up to now is 9.3 secs Computing kpt #: 22 total cpu time spent up to now is 9.7 secs Computing kpt #: 23 total cpu time spent up to now is 10.1 secs Computing kpt #: 24 total cpu time spent up to now is 10.4 secs Computing kpt #: 25 total cpu time spent up to now is 10.8 secs Computing kpt #: 26 total cpu time spent up to now is 11.1 secs Computing kpt #: 27 total cpu time spent up to now is 11.4 secs Computing kpt #: 28 total cpu time spent up to now is 11.8 secs Computing kpt #: 29 total cpu time spent up to now is 12.1 secs Computing kpt #: 30 total cpu time spent up to now is 12.4 secs Computing kpt #: 31 total cpu time spent up to now is 12.8 secs Computing kpt #: 32 total cpu time spent up to now is 13.1 secs Computing kpt #: 33 total cpu time spent up to now is 13.4 secs Computing kpt #: 34 total cpu time spent up to now is 13.7 secs Computing kpt #: 35 total cpu time spent up to now is 14.0 secs Computing kpt #: 36 total cpu time spent up to now is 14.4 secs Computing kpt #: 37 total cpu time spent up to now is 14.7 secs Computing kpt #: 38 total cpu time spent up to now is 15.0 secs Computing kpt #: 39 total cpu time spent up to now is 15.3 secs Computing kpt #: 40 total cpu time spent up to now is 15.7 secs Computing kpt #: 41 total cpu time spent up to now is 16.0 secs Computing kpt #: 42 total cpu time spent up to now is 16.3 secs Computing kpt #: 43 total cpu time spent up to now is 16.6 secs Computing kpt #: 44 total cpu time spent up to now is 17.0 secs Computing kpt #: 45 total cpu time spent up to now is 17.3 secs Computing kpt #: 46 total cpu time spent up to now is 17.6 secs Computing kpt #: 47 total cpu time spent up to now is 17.9 secs Computing kpt #: 48 total cpu time spent up to now is 18.3 secs Computing kpt #: 49 total cpu time spent up to now is 18.6 secs Computing kpt #: 50 total cpu time spent up to now is 18.9 secs Computing kpt #: 51 total cpu time spent up to now is 19.2 secs Computing kpt #: 52 total cpu time spent up to now is 19.5 secs Computing kpt #: 53 total cpu time spent up to now is 19.9 secs Computing kpt #: 54 total cpu time spent up to now is 20.2 secs Computing kpt #: 55 total cpu time spent up to now is 20.5 secs Computing kpt #: 56 total cpu time spent up to now is 20.8 secs Computing kpt #: 57 total cpu time spent up to now is 21.2 secs Computing kpt #: 58 total cpu time spent up to now is 21.5 secs Computing kpt #: 59 total cpu time spent up to now is 21.8 secs Computing kpt #: 60 total cpu time spent up to now is 22.2 secs Computing kpt #: 61 total cpu time spent up to now is 22.5 secs Computing kpt #: 62 total cpu time spent up to now is 22.8 secs Computing kpt #: 63 total cpu time spent up to now is 23.2 secs Computing kpt #: 64 total cpu time spent up to now is 23.5 secs Computing kpt #: 65 total cpu time spent up to now is 23.9 secs Computing kpt #: 66 total cpu time spent up to now is 24.2 secs Computing kpt #: 67 total cpu time spent up to now is 24.6 secs Computing kpt #: 68 total cpu time spent up to now is 24.9 secs Computing kpt #: 69 total cpu time spent up to now is 25.3 secs Computing kpt #: 70 total cpu time spent up to now is 25.6 secs Computing kpt #: 71 total cpu time spent up to now is 26.0 secs Computing kpt #: 72 total cpu time spent up to now is 26.4 secs Computing kpt #: 73 total cpu time spent up to now is 26.7 secs Computing kpt #: 74 total cpu time spent up to now is 27.1 secs Computing kpt #: 75 total cpu time spent up to now is 27.4 secs Computing kpt #: 76 total cpu time spent up to now is 27.7 secs Computing kpt #: 77 total cpu time spent up to now is 28.1 secs Computing kpt #: 78 total cpu time spent up to now is 28.4 secs Computing kpt #: 79 total cpu time spent up to now is 28.7 secs Computing kpt #: 80 total cpu time spent up to now is 29.1 secs Computing kpt #: 81 total cpu time spent up to now is 29.4 secs Computing kpt #: 82 total cpu time spent up to now is 29.8 secs Computing kpt #: 83 total cpu time spent up to now is 30.1 secs Computing kpt #: 84 total cpu time spent up to now is 30.4 secs Computing kpt #: 85 total cpu time spent up to now is 30.8 secs Computing kpt #: 86 total cpu time spent up to now is 31.2 secs Computing kpt #: 87 total cpu time spent up to now is 31.5 secs Computing kpt #: 88 total cpu time spent up to now is 31.9 secs Computing kpt #: 89 total cpu time spent up to now is 32.2 secs Computing kpt #: 90 total cpu time spent up to now is 32.6 secs Computing kpt #: 91 total cpu time spent up to now is 32.9 secs Computing kpt #: 92 total cpu time spent up to now is 33.3 secs Computing kpt #: 93 total cpu time spent up to now is 33.7 secs Computing kpt #: 94 total cpu time spent up to now is 34.0 secs Computing kpt #: 95 total cpu time spent up to now is 34.4 secs Computing kpt #: 96 total cpu time spent up to now is 34.8 secs Computing kpt #: 97 total cpu time spent up to now is 35.2 secs Computing kpt #: 98 total cpu time spent up to now is 35.5 secs Computing kpt #: 99 total cpu time spent up to now is 35.9 secs Computing kpt #: 100 total cpu time spent up to now is 36.3 secs Computing kpt #: 101 total cpu time spent up to now is 36.6 secs Computing kpt #: 102 total cpu time spent up to now is 37.0 secs Computing kpt #: 103 total cpu time spent up to now is 37.3 secs Computing kpt #: 104 total cpu time spent up to now is 37.7 secs Computing kpt #: 105 total cpu time spent up to now is 38.1 secs Computing kpt #: 106 total cpu time spent up to now is 38.4 secs Computing kpt #: 107 total cpu time spent up to now is 38.8 secs Computing kpt #: 108 total cpu time spent up to now is 39.2 secs Computing kpt #: 109 total cpu time spent up to now is 39.5 secs Computing kpt #: 110 total cpu time spent up to now is 39.9 secs Computing kpt #: 111 total cpu time spent up to now is 40.3 secs Computing kpt #: 112 total cpu time spent up to now is 40.6 secs Computing kpt #: 113 total cpu time spent up to now is 41.0 secs Computing kpt #: 114 total cpu time spent up to now is 41.4 secs Computing kpt #: 115 total cpu time spent up to now is 41.8 secs Computing kpt #: 116 total cpu time spent up to now is 42.1 secs Computing kpt #: 117 total cpu time spent up to now is 42.5 secs Computing kpt #: 118 total cpu time spent up to now is 42.8 secs Computing kpt #: 119 total cpu time spent up to now is 43.2 secs Computing kpt #: 120 total cpu time spent up to now is 43.6 secs Computing kpt #: 121 total cpu time spent up to now is 44.0 secs Computing kpt #: 122 total cpu time spent up to now is 44.3 secs Computing kpt #: 123 total cpu time spent up to now is 44.7 secs Computing kpt #: 124 total cpu time spent up to now is 45.1 secs Computing kpt #: 125 total cpu time spent up to now is 45.4 secs Computing kpt #: 126 total cpu time spent up to now is 45.8 secs Computing kpt #: 127 total cpu time spent up to now is 46.2 secs Computing kpt #: 128 total cpu time spent up to now is 46.5 secs Computing kpt #: 129 total cpu time spent up to now is 46.9 secs Computing kpt #: 130 total cpu time spent up to now is 47.3 secs Computing kpt #: 131 total cpu time spent up to now is 47.7 secs Computing kpt #: 132 total cpu time spent up to now is 48.0 secs Computing kpt #: 133 total cpu time spent up to now is 48.4 secs Computing kpt #: 134 total cpu time spent up to now is 48.8 secs Computing kpt #: 135 total cpu time spent up to now is 49.1 secs Computing kpt #: 136 total cpu time spent up to now is 49.5 secs Computing kpt #: 137 total cpu time spent up to now is 49.9 secs Computing kpt #: 138 total cpu time spent up to now is 50.2 secs Computing kpt #: 139 total cpu time spent up to now is 50.6 secs Computing kpt #: 140 total cpu time spent up to now is 50.9 secs Computing kpt #: 141 total cpu time spent up to now is 51.3 secs Computing kpt #: 142 total cpu time spent up to now is 51.7 secs Computing kpt #: 143 total cpu time spent up to now is 52.0 secs Computing kpt #: 144 total cpu time spent up to now is 52.4 secs Computing kpt #: 145 total cpu time spent up to now is 52.8 secs Computing kpt #: 146 total cpu time spent up to now is 53.2 secs Computing kpt #: 147 total cpu time spent up to now is 53.5 secs Computing kpt #: 148 total cpu time spent up to now is 53.9 secs Computing kpt #: 149 total cpu time spent up to now is 54.3 secs Computing kpt #: 150 total cpu time spent up to now is 54.7 secs Computing kpt #: 151 total cpu time spent up to now is 55.1 secs Computing kpt #: 152 total cpu time spent up to now is 55.5 secs Computing kpt #: 153 total cpu time spent up to now is 55.8 secs Computing kpt #: 154 total cpu time spent up to now is 56.2 secs Computing kpt #: 155 total cpu time spent up to now is 56.6 secs Computing kpt #: 156 total cpu time spent up to now is 57.0 secs Computing kpt #: 157 total cpu time spent up to now is 57.3 secs Computing kpt #: 158 total cpu time spent up to now is 57.7 secs Computing kpt #: 159 total cpu time spent up to now is 58.0 secs Computing kpt #: 160 total cpu time spent up to now is 58.4 secs Computing kpt #: 161 total cpu time spent up to now is 58.7 secs Computing kpt #: 162 total cpu time spent up to now is 59.1 secs Computing kpt #: 163 total cpu time spent up to now is 59.5 secs Computing kpt #: 164 total cpu time spent up to now is 59.8 secs Computing kpt #: 165 total cpu time spent up to now is 60.2 secs Computing kpt #: 166 total cpu time spent up to now is 60.5 secs Computing kpt #: 167 total cpu time spent up to now is 60.9 secs Computing kpt #: 168 total cpu time spent up to now is 61.2 secs Computing kpt #: 169 total cpu time spent up to now is 61.6 secs Computing kpt #: 170 total cpu time spent up to now is 61.9 secs Computing kpt #: 171 total cpu time spent up to now is 62.3 secs Computing kpt #: 172 total cpu time spent up to now is 62.6 secs Computing kpt #: 173 total cpu time spent up to now is 63.0 secs Computing kpt #: 174 total cpu time spent up to now is 63.3 secs Computing kpt #: 175 total cpu time spent up to now is 63.7 secs Computing kpt #: 176 total cpu time spent up to now is 64.0 secs Computing kpt #: 177 total cpu time spent up to now is 64.4 secs Computing kpt #: 178 total cpu time spent up to now is 64.8 secs Computing kpt #: 179 total cpu time spent up to now is 65.1 secs Computing kpt #: 180 total cpu time spent up to now is 65.5 secs Computing kpt #: 181 total cpu time spent up to now is 65.8 secs Computing kpt #: 182 total cpu time spent up to now is 66.2 secs Computing kpt #: 183 total cpu time spent up to now is 66.6 secs Computing kpt #: 184 total cpu time spent up to now is 66.9 secs Computing kpt #: 185 total cpu time spent up to now is 67.3 secs Computing kpt #: 186 total cpu time spent up to now is 67.6 secs Computing kpt #: 187 total cpu time spent up to now is 68.0 secs Computing kpt #: 188 total cpu time spent up to now is 68.3 secs Computing kpt #: 189 total cpu time spent up to now is 68.7 secs Computing kpt #: 190 total cpu time spent up to now is 69.0 secs Computing kpt #: 191 total cpu time spent up to now is 69.4 secs Computing kpt #: 192 total cpu time spent up to now is 69.7 secs Computing kpt #: 193 total cpu time spent up to now is 70.0 secs Computing kpt #: 194 total cpu time spent up to now is 70.4 secs Computing kpt #: 195 total cpu time spent up to now is 70.7 secs Computing kpt #: 196 total cpu time spent up to now is 71.1 secs Computing kpt #: 197 total cpu time spent up to now is 71.4 secs Computing kpt #: 198 total cpu time spent up to now is 71.7 secs Computing kpt #: 199 total cpu time spent up to now is 72.1 secs Computing kpt #: 200 total cpu time spent up to now is 72.4 secs Computing kpt #: 201 total cpu time spent up to now is 72.7 secs Computing kpt #: 202 total cpu time spent up to now is 73.1 secs Computing kpt #: 203 total cpu time spent up to now is 73.4 secs Computing kpt #: 204 total cpu time spent up to now is 73.7 secs Computing kpt #: 205 total cpu time spent up to now is 74.0 secs Computing kpt #: 206 total cpu time spent up to now is 74.4 secs Computing kpt #: 207 total cpu time spent up to now is 74.7 secs Computing kpt #: 208 total cpu time spent up to now is 75.0 secs Computing kpt #: 209 total cpu time spent up to now is 75.3 secs Computing kpt #: 210 total cpu time spent up to now is 75.6 secs Computing kpt #: 211 total cpu time spent up to now is 75.9 secs Computing kpt #: 212 total cpu time spent up to now is 76.3 secs Computing kpt #: 213 total cpu time spent up to now is 76.6 secs Computing kpt #: 214 total cpu time spent up to now is 76.9 secs Computing kpt #: 215 total cpu time spent up to now is 77.2 secs Computing kpt #: 216 total cpu time spent up to now is 77.5 secs Computing kpt #: 217 total cpu time spent up to now is 77.8 secs Computing kpt #: 218 total cpu time spent up to now is 78.2 secs Computing kpt #: 219 total cpu time spent up to now is 78.5 secs Computing kpt #: 220 total cpu time spent up to now is 78.8 secs Computing kpt #: 221 total cpu time spent up to now is 79.1 secs Computing kpt #: 222 total cpu time spent up to now is 79.4 secs Computing kpt #: 223 total cpu time spent up to now is 79.7 secs Computing kpt #: 224 total cpu time spent up to now is 80.0 secs Computing kpt #: 225 total cpu time spent up to now is 80.3 secs Computing kpt #: 226 total cpu time spent up to now is 80.6 secs Computing kpt #: 227 total cpu time spent up to now is 81.0 secs Computing kpt #: 228 total cpu time spent up to now is 81.3 secs Computing kpt #: 229 total cpu time spent up to now is 81.6 secs Computing kpt #: 230 total cpu time spent up to now is 81.9 secs Computing kpt #: 231 total cpu time spent up to now is 82.2 secs Computing kpt #: 232 total cpu time spent up to now is 82.6 secs Computing kpt #: 233 total cpu time spent up to now is 82.9 secs Computing kpt #: 234 total cpu time spent up to now is 83.2 secs Computing kpt #: 235 total cpu time spent up to now is 83.5 secs Computing kpt #: 236 total cpu time spent up to now is 83.9 secs Computing kpt #: 237 total cpu time spent up to now is 84.2 secs Computing kpt #: 238 total cpu time spent up to now is 84.5 secs Computing kpt #: 239 total cpu time spent up to now is 84.9 secs Computing kpt #: 240 total cpu time spent up to now is 85.2 secs Computing kpt #: 241 total cpu time spent up to now is 85.5 secs Computing kpt #: 242 total cpu time spent up to now is 85.9 secs Computing kpt #: 243 total cpu time spent up to now is 86.2 secs Computing kpt #: 244 total cpu time spent up to now is 86.5 secs Computing kpt #: 245 total cpu time spent up to now is 86.9 secs Computing kpt #: 246 total cpu time spent up to now is 87.2 secs Computing kpt #: 247 total cpu time spent up to now is 87.5 secs Computing kpt #: 248 total cpu time spent up to now is 87.9 secs Computing kpt #: 249 total cpu time spent up to now is 88.2 secs Computing kpt #: 250 total cpu time spent up to now is 88.6 secs Computing kpt #: 251 total cpu time spent up to now is 88.9 secs Computing kpt #: 252 total cpu time spent up to now is 89.3 secs Computing kpt #: 253 total cpu time spent up to now is 89.6 secs Computing kpt #: 254 total cpu time spent up to now is 90.0 secs Computing kpt #: 255 total cpu time spent up to now is 90.3 secs Computing kpt #: 256 total cpu time spent up to now is 90.7 secs Computing kpt #: 257 total cpu time spent up to now is 91.0 secs Computing kpt #: 258 total cpu time spent up to now is 91.4 secs Computing kpt #: 259 total cpu time spent up to now is 91.7 secs Computing kpt #: 260 total cpu time spent up to now is 92.0 secs Computing kpt #: 261 total cpu time spent up to now is 92.4 secs Computing kpt #: 262 total cpu time spent up to now is 92.7 secs Computing kpt #: 263 total cpu time spent up to now is 93.1 secs Computing kpt #: 264 total cpu time spent up to now is 93.4 secs Computing kpt #: 265 total cpu time spent up to now is 93.8 secs Computing kpt #: 266 total cpu time spent up to now is 94.1 secs Computing kpt #: 267 total cpu time spent up to now is 94.5 secs Computing kpt #: 268 total cpu time spent up to now is 94.8 secs Computing kpt #: 269 total cpu time spent up to now is 95.1 secs Computing kpt #: 270 total cpu time spent up to now is 95.5 secs Computing kpt #: 271 total cpu time spent up to now is 95.8 secs Computing kpt #: 272 total cpu time spent up to now is 96.2 secs Computing kpt #: 273 total cpu time spent up to now is 96.5 secs Computing kpt #: 274 total cpu time spent up to now is 96.8 secs Computing kpt #: 275 total cpu time spent up to now is 97.2 secs Computing kpt #: 276 total cpu time spent up to now is 97.5 secs Computing kpt #: 277 total cpu time spent up to now is 97.8 secs Computing kpt #: 278 total cpu time spent up to now is 98.2 secs Computing kpt #: 279 total cpu time spent up to now is 98.5 secs Computing kpt #: 280 total cpu time spent up to now is 98.8 secs Computing kpt #: 281 total cpu time spent up to now is 99.2 secs Computing kpt #: 282 total cpu time spent up to now is 99.5 secs Computing kpt #: 283 total cpu time spent up to now is 99.8 secs Computing kpt #: 284 total cpu time spent up to now is 100.2 secs Computing kpt #: 285 total cpu time spent up to now is 100.5 secs Computing kpt #: 286 total cpu time spent up to now is 100.8 secs Computing kpt #: 287 total cpu time spent up to now is 101.2 secs Computing kpt #: 288 total cpu time spent up to now is 101.5 secs Computing kpt #: 289 total cpu time spent up to now is 101.9 secs Computing kpt #: 290 total cpu time spent up to now is 102.2 secs Computing kpt #: 291 total cpu time spent up to now is 102.6 secs Computing kpt #: 292 total cpu time spent up to now is 102.9 secs Computing kpt #: 293 total cpu time spent up to now is 103.3 secs Computing kpt #: 294 total cpu time spent up to now is 103.6 secs Computing kpt #: 295 total cpu time spent up to now is 104.0 secs Computing kpt #: 296 total cpu time spent up to now is 104.3 secs Computing kpt #: 297 total cpu time spent up to now is 104.7 secs Computing kpt #: 298 total cpu time spent up to now is 105.0 secs Computing kpt #: 299 total cpu time spent up to now is 105.4 secs Computing kpt #: 300 total cpu time spent up to now is 105.7 secs Computing kpt #: 301 total cpu time spent up to now is 106.1 secs Computing kpt #: 302 total cpu time spent up to now is 106.5 secs Computing kpt #: 303 total cpu time spent up to now is 106.9 secs Computing kpt #: 304 total cpu time spent up to now is 107.3 secs Computing kpt #: 305 total cpu time spent up to now is 107.7 secs Computing kpt #: 306 total cpu time spent up to now is 108.1 secs Computing kpt #: 307 total cpu time spent up to now is 108.4 secs Computing kpt #: 308 total cpu time spent up to now is 108.8 secs Computing kpt #: 309 total cpu time spent up to now is 109.2 secs Computing kpt #: 310 total cpu time spent up to now is 109.6 secs Computing kpt #: 311 total cpu time spent up to now is 109.9 secs Computing kpt #: 312 total cpu time spent up to now is 110.3 secs Computing kpt #: 313 total cpu time spent up to now is 110.6 secs Computing kpt #: 314 total cpu time spent up to now is 111.0 secs Computing kpt #: 315 total cpu time spent up to now is 111.4 secs Computing kpt #: 316 total cpu time spent up to now is 111.7 secs Computing kpt #: 317 total cpu time spent up to now is 112.1 secs Computing kpt #: 318 total cpu time spent up to now is 112.5 secs Computing kpt #: 319 total cpu time spent up to now is 112.8 secs Computing kpt #: 320 total cpu time spent up to now is 113.2 secs Computing kpt #: 321 total cpu time spent up to now is 113.6 secs Computing kpt #: 322 total cpu time spent up to now is 113.9 secs Computing kpt #: 323 total cpu time spent up to now is 114.3 secs Computing kpt #: 324 total cpu time spent up to now is 114.7 secs Computing kpt #: 325 total cpu time spent up to now is 115.1 secs Computing kpt #: 326 total cpu time spent up to now is 115.4 secs Computing kpt #: 327 total cpu time spent up to now is 115.8 secs Computing kpt #: 328 total cpu time spent up to now is 116.2 secs Computing kpt #: 329 total cpu time spent up to now is 116.5 secs Computing kpt #: 330 total cpu time spent up to now is 116.9 secs Computing kpt #: 331 total cpu time spent up to now is 117.2 secs Computing kpt #: 332 total cpu time spent up to now is 117.6 secs Computing kpt #: 333 total cpu time spent up to now is 118.0 secs Computing kpt #: 334 total cpu time spent up to now is 118.3 secs Computing kpt #: 335 total cpu time spent up to now is 118.7 secs Computing kpt #: 336 total cpu time spent up to now is 119.1 secs Computing kpt #: 337 total cpu time spent up to now is 119.4 secs Computing kpt #: 338 total cpu time spent up to now is 119.8 secs Computing kpt #: 339 total cpu time spent up to now is 120.2 secs Computing kpt #: 340 total cpu time spent up to now is 120.5 secs Computing kpt #: 341 total cpu time spent up to now is 120.9 secs Computing kpt #: 342 total cpu time spent up to now is 121.3 secs Computing kpt #: 343 total cpu time spent up to now is 121.6 secs Computing kpt #: 344 total cpu time spent up to now is 122.0 secs Computing kpt #: 345 total cpu time spent up to now is 122.3 secs Computing kpt #: 346 total cpu time spent up to now is 122.7 secs Computing kpt #: 347 total cpu time spent up to now is 123.1 secs Computing kpt #: 348 total cpu time spent up to now is 123.4 secs Computing kpt #: 349 total cpu time spent up to now is 123.8 secs Computing kpt #: 350 total cpu time spent up to now is 124.1 secs Computing kpt #: 351 total cpu time spent up to now is 124.5 secs Computing kpt #: 352 total cpu time spent up to now is 124.9 secs Computing kpt #: 353 total cpu time spent up to now is 125.3 secs Computing kpt #: 354 total cpu time spent up to now is 125.8 secs Computing kpt #: 355 total cpu time spent up to now is 126.2 secs Computing kpt #: 356 total cpu time spent up to now is 126.7 secs Computing kpt #: 357 total cpu time spent up to now is 127.1 secs Computing kpt #: 358 total cpu time spent up to now is 127.4 secs Computing kpt #: 359 total cpu time spent up to now is 127.7 secs Computing kpt #: 360 total cpu time spent up to now is 128.0 secs Computing kpt #: 361 total cpu time spent up to now is 128.3 secs Computing kpt #: 362 total cpu time spent up to now is 128.7 secs Computing kpt #: 363 total cpu time spent up to now is 129.0 secs Computing kpt #: 364 total cpu time spent up to now is 129.3 secs Computing kpt #: 365 total cpu time spent up to now is 129.7 secs Computing kpt #: 366 total cpu time spent up to now is 130.0 secs Computing kpt #: 367 total cpu time spent up to now is 130.3 secs Computing kpt #: 368 total cpu time spent up to now is 130.7 secs Computing kpt #: 369 total cpu time spent up to now is 131.0 secs Computing kpt #: 370 total cpu time spent up to now is 131.3 secs Computing kpt #: 371 total cpu time spent up to now is 131.6 secs Computing kpt #: 372 total cpu time spent up to now is 132.0 secs Computing kpt #: 373 total cpu time spent up to now is 132.3 secs Computing kpt #: 374 total cpu time spent up to now is 132.6 secs Computing kpt #: 375 total cpu time spent up to now is 132.9 secs Computing kpt #: 376 total cpu time spent up to now is 133.3 secs Computing kpt #: 377 total cpu time spent up to now is 133.6 secs Computing kpt #: 378 total cpu time spent up to now is 133.9 secs Computing kpt #: 379 total cpu time spent up to now is 134.3 secs Computing kpt #: 380 total cpu time spent up to now is 134.6 secs Computing kpt #: 381 total cpu time spent up to now is 134.9 secs Computing kpt #: 382 total cpu time spent up to now is 135.2 secs Computing kpt #: 383 total cpu time spent up to now is 135.6 secs Computing kpt #: 384 total cpu time spent up to now is 135.9 secs Computing kpt #: 385 total cpu time spent up to now is 136.2 secs Computing kpt #: 386 total cpu time spent up to now is 136.5 secs Computing kpt #: 387 total cpu time spent up to now is 136.9 secs Computing kpt #: 388 total cpu time spent up to now is 137.2 secs Computing kpt #: 389 total cpu time spent up to now is 137.5 secs Computing kpt #: 390 total cpu time spent up to now is 137.9 secs Computing kpt #: 391 total cpu time spent up to now is 138.2 secs Computing kpt #: 392 total cpu time spent up to now is 138.6 secs Computing kpt #: 393 total cpu time spent up to now is 138.9 secs Computing kpt #: 394 total cpu time spent up to now is 139.3 secs Computing kpt #: 395 total cpu time spent up to now is 139.6 secs Computing kpt #: 396 total cpu time spent up to now is 140.0 secs Computing kpt #: 397 total cpu time spent up to now is 140.3 secs Computing kpt #: 398 total cpu time spent up to now is 140.7 secs Computing kpt #: 399 total cpu time spent up to now is 141.0 secs Computing kpt #: 400 total cpu time spent up to now is 141.4 secs Computing kpt #: 401 total cpu time spent up to now is 141.7 secs Computing kpt #: 402 total cpu time spent up to now is 142.1 secs Computing kpt #: 403 total cpu time spent up to now is 142.4 secs Computing kpt #: 404 total cpu time spent up to now is 142.8 secs Computing kpt #: 405 total cpu time spent up to now is 143.2 secs Computing kpt #: 406 total cpu time spent up to now is 143.5 secs Computing kpt #: 407 total cpu time spent up to now is 143.9 secs Computing kpt #: 408 total cpu time spent up to now is 144.2 secs Computing kpt #: 409 total cpu time spent up to now is 144.6 secs Computing kpt #: 410 total cpu time spent up to now is 144.9 secs Computing kpt #: 411 total cpu time spent up to now is 145.3 secs Computing kpt #: 412 total cpu time spent up to now is 145.6 secs ethr = 2.17E-08, avg # of iterations = 15.4 total cpu time spent up to now is 145.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4167 PWs) bands (ev): -7.6690 -7.6690 -6.4367 -6.4367 -4.1362 -4.1362 -3.7574 -3.7574 1.6880 1.6880 2.6734 2.6734 2.9608 2.9608 3.4703 3.4703 4.1833 4.1833 4.5689 4.5689 4.6192 4.6192 4.6197 4.6197 4.8388 4.8388 5.2517 5.2517 5.3553 5.3553 5.4098 5.4098 5.4443 5.4443 5.5413 5.5413 5.6303 5.6303 6.4149 6.4149 6.4962 6.4962 8.8470 8.8470 9.0013 9.0013 9.2354 9.2354 9.9135 9.9135 10.8863 10.8863 11.8059 11.8059 11.8702 11.8702 k = 0.0119-0.0000-0.0000 ( 4163 PWs) bands (ev): -7.6682 -7.6682 -6.4366 -6.4366 -4.1358 -4.1358 -3.7571 -3.7571 1.6892 1.6892 2.6734 2.6734 2.9607 2.9607 3.4695 3.4695 4.1836 4.1836 4.5688 4.5688 4.6103 4.6103 4.6238 4.6238 4.8366 4.8366 5.2530 5.2530 5.3558 5.3558 5.4108 5.4108 5.4425 5.4425 5.5412 5.5412 5.6317 5.6317 6.4121 6.4121 6.4975 6.4975 8.8432 8.8432 8.9983 8.9983 9.2285 9.2285 9.9147 9.9147 10.8858 10.8858 11.8120 11.8120 11.8731 11.8731 k = 0.0238-0.0000-0.0000 ( 4161 PWs) bands (ev): -7.6660 -7.6660 -6.4363 -6.4363 -4.1343 -4.1343 -3.7563 -3.7563 1.6927 1.6927 2.6735 2.6735 2.9602 2.9602 3.4671 3.4671 4.1841 4.1841 4.5682 4.5682 4.5904 4.5904 4.6293 4.6293 4.8309 4.8309 5.2564 5.2564 5.3572 5.3572 5.4132 5.4132 5.4378 5.4378 5.5408 5.5408 5.6357 5.6357 6.4038 6.4038 6.5013 6.5013 8.8318 8.8318 8.9896 8.9896 9.2079 9.2079 9.9182 9.9182 10.8842 10.8842 11.8294 11.8294 11.8822 11.8822 k = 0.0357-0.0000-0.0000 ( 4149 PWs) bands (ev): -7.6621 -7.6621 -6.4357 -6.4357 -4.1319 -4.1319 -3.7550 -3.7550 1.6986 1.6986 2.6735 2.6735 2.9592 2.9592 3.4632 3.4632 4.1851 4.1851 4.5574 4.5574 4.5681 4.5681 4.6381 4.6381 4.8232 4.8232 5.2608 5.2608 5.3586 5.3586 5.4135 5.4135 5.4333 5.4333 5.5401 5.5401 5.6426 5.6426 6.3905 6.3905 6.5073 6.5073 8.8124 8.8124 8.9762 8.9762 9.1743 9.1743 9.9234 9.9234 10.8816 10.8816 11.8548 11.8548 11.9001 11.9001 k = 0.0476-0.0000-0.0000 ( 4155 PWs) bands (ev): -7.6568 -7.6568 -6.4350 -6.4350 -4.1285 -4.1285 -3.7532 -3.7532 1.7068 1.7068 2.6735 2.6735 2.9577 2.9577 3.4579 3.4579 4.1864 4.1864 4.5149 4.5149 4.5658 4.5658 4.6504 4.6504 4.8149 4.8149 5.2650 5.2650 5.3587 5.3587 5.4052 5.4052 5.4357 5.4357 5.5392 5.5392 5.6520 5.6520 6.3729 6.3729 6.5154 6.5154 8.7846 8.7846 8.9592 8.9592 9.1285 9.1285 9.9295 9.9295 10.8777 10.8777 11.8793 11.8793 11.9341 11.9341 k = 0.0595-0.0000-0.0000 ( 4155 PWs) bands (ev): -7.6500 -7.6500 -6.4341 -6.4341 -4.1241 -4.1241 -3.7508 -3.7508 1.7174 1.7174 2.6733 2.6733 2.9555 2.9555 3.4512 3.4512 4.1880 4.1880 4.4629 4.4629 4.5632 4.5632 4.6663 4.6663 4.8064 4.8064 5.2681 5.2681 5.3547 5.3547 5.3930 5.3930 5.4423 5.4423 5.5381 5.5381 5.6638 5.6638 6.3518 6.3518 6.5253 6.5253 8.7487 8.7487 8.9391 8.9391 9.0723 9.0723 9.9357 9.9357 10.8726 10.8726 11.8980 11.8980 11.9876 11.9876 k = 0.0714-0.0000-0.0000 ( 4159 PWs) bands (ev): -7.6417 -7.6417 -6.4331 -6.4331 -4.1188 -4.1188 -3.7480 -3.7480 1.7302 1.7302 2.6729 2.6729 2.9522 2.9522 3.4434 3.4434 4.1899 4.1899 4.4043 4.4043 4.5601 4.5601 4.6856 4.6856 4.7977 4.7977 5.2695 5.2695 5.3407 5.3407 5.3854 5.3854 5.4495 5.4495 5.5368 5.5368 5.6774 5.6774 6.3279 6.3279 6.5369 6.5369 8.7055 8.7055 8.9144 8.9144 9.0085 9.0085 9.9411 9.9411 10.8660 10.8660 11.9124 11.9124 12.0567 12.0567 k = 0.0833-0.0000-0.0000 ( 4157 PWs) bands (ev): -7.6319 -7.6319 -6.4319 -6.4319 -4.1126 -4.1126 -3.7447 -3.7447 1.7454 1.7454 2.6723 2.6723 2.9477 2.9477 3.4347 3.4347 4.1922 4.1922 4.3413 4.3413 4.5566 4.5566 4.7080 4.7080 4.7884 4.7884 5.2674 5.2674 5.3179 5.3179 5.3843 5.3843 5.4560 5.4560 5.5353 5.5353 5.6920 5.6920 6.3021 6.3021 6.5500 6.5500 8.6561 8.6561 8.8783 8.8783 8.9454 8.9454 9.9449 9.9449 10.8580 10.8580 11.9228 11.9228 12.1388 12.1388 k = 0.0952-0.0000-0.0000 ( 4153 PWs) bands (ev): -7.6206 -7.6206 -6.4306 -6.4306 -4.1055 -4.1055 -3.7409 -3.7409 1.7629 1.7629 2.6712 2.6712 2.9414 2.9414 3.4251 3.4251 4.1947 4.1947 4.2761 4.2761 4.5528 4.5528 4.7321 4.7321 4.7791 4.7791 5.2541 5.2541 5.2978 5.2978 5.3864 5.3864 5.4615 5.4615 5.5338 5.5338 5.7069 5.7069 6.2751 6.2751 6.5645 6.5645 8.6018 8.6018 8.8154 8.8154 8.8991 8.8991 9.9467 9.9467 10.8483 10.8483 11.9281 11.9281 12.2325 12.2325 k = 0.1071-0.0000-0.0000 ( 4149 PWs) bands (ev): -7.6079 -7.6079 -6.4293 -6.4293 -4.0976 -4.0976 -3.7367 -3.7367 1.7825 1.7825 2.6695 2.6695 2.9330 2.9330 3.4150 3.4150 4.1960 4.1960 4.2119 4.2119 4.5490 4.5490 4.7499 4.7499 4.7771 4.7771 5.2219 5.2219 5.2902 5.2902 5.3901 5.3901 5.4658 5.4658 5.5321 5.5321 5.7214 5.7214 6.2476 6.2476 6.5800 6.5800 8.5439 8.5439 8.7309 8.7309 8.8657 8.8657 9.9458 9.9458 10.8368 10.8368 11.9271 11.9271 12.3367 12.3367 k = 0.1190-0.0000-0.0000 ( 4141 PWs) bands (ev): -7.5938 -7.5938 -6.4280 -6.4280 -4.0888 -4.0888 -3.7321 -3.7321 1.8044 1.8044 2.6671 2.6671 2.9219 2.9219 3.4044 3.4044 4.1448 4.1448 4.2016 4.2016 4.5453 4.5453 4.7434 4.7434 4.7997 4.7997 5.1787 5.1787 5.2885 5.2885 5.3950 5.3950 5.4691 5.4691 5.5303 5.5303 5.7349 5.7349 6.2201 6.2201 6.5964 6.5964 8.4834 8.4834 8.6365 8.6365 8.8342 8.8342 9.9421 9.9421 10.8236 10.8236 11.9190 11.9190 12.4503 12.4503 k = 0.1310-0.0000-0.0000 ( 4157 PWs) bands (ev): -7.5784 -7.5784 -6.4267 -6.4267 -4.0791 -4.0791 -3.7272 -3.7272 1.8285 1.8285 2.6637 2.6637 2.9076 2.9076 3.3935 3.3935 4.0830 4.0830 4.2047 4.2047 4.5415 4.5415 4.7277 4.7277 4.8307 4.8307 5.1301 5.1301 5.2883 5.2883 5.4008 5.4008 5.4715 5.4715 5.5283 5.5283 5.7469 5.7469 6.1932 6.1932 6.6134 6.6134 8.4213 8.4213 8.5364 8.5364 8.8015 8.8015 9.9352 9.9352 10.8084 10.8084 11.9033 11.9033 12.5721 12.5721 k = 0.1429-0.0000-0.0000 ( 4165 PWs) bands (ev): -7.5615 -7.5615 -6.4255 -6.4255 -4.0687 -4.0687 -3.7219 -3.7219 1.8547 1.8547 2.6592 2.6592 2.8895 2.8895 3.3826 3.3826 4.0250 4.0250 4.2082 4.2082 4.5380 4.5380 4.7085 4.7085 4.8628 4.8628 5.0791 5.0791 5.2887 5.2887 5.4073 5.4073 5.4733 5.4733 5.5264 5.5264 5.7575 5.7575 6.1671 6.1671 6.6309 6.6309 8.3577 8.3577 8.4331 8.4331 8.7665 8.7665 9.9252 9.9252 10.7912 10.7912 11.8802 11.8802 12.7004 12.7004 k = 0.1548-0.0000-0.0000 ( 4161 PWs) bands (ev): -7.5434 -7.5434 -6.4244 -6.4244 -4.0576 -4.0576 -3.7163 -3.7163 1.8829 1.8829 2.6532 2.6532 2.8672 2.8672 3.3718 3.3718 3.9722 3.9722 4.2121 4.2121 4.5345 4.5345 4.6866 4.6866 4.8904 4.8904 5.0315 5.0315 5.2895 5.2895 5.4145 5.4145 5.4746 5.4746 5.5246 5.5246 5.7662 5.7662 6.1420 6.1420 6.6487 6.6487 8.2903 8.2903 8.3308 8.3308 8.7288 8.7288 9.9120 9.9120 10.7720 10.7720 11.8505 11.8505 12.8329 12.8329 k = 0.1667-0.0000-0.0000 ( 4153 PWs) bands (ev): -7.5240 -7.5240 -6.4235 -6.4235 -4.0457 -4.0457 -3.7105 -3.7105 1.9131 1.9131 2.6454 2.6454 2.8406 2.8406 3.3612 3.3612 3.9255 3.9255 4.2160 4.2160 4.5309 4.5309 4.6626 4.6626 4.8947 4.8947 5.0067 5.0067 5.2905 5.2905 5.4220 5.4220 5.4758 5.4758 5.5230 5.5230 5.7732 5.7732 6.1179 6.1179 6.6665 6.6665 8.2032 8.2032 8.2471 8.2471 8.6883 8.6883 9.8957 9.8957 10.7506 10.7506 11.8151 11.8151 12.9664 12.9664 k = 0.1786-0.0000-0.0000 ( 4149 PWs) bands (ev): -7.5034 -7.5034 -6.4229 -6.4229 -4.0332 -4.0332 -3.7045 -3.7045 1.9453 1.9453 2.6354 2.6354 2.8096 2.8096 3.3510 3.3510 3.8855 3.8855 4.2201 4.2201 4.5263 4.5263 4.6370 4.6370 4.8580 4.8580 5.0227 5.0227 5.2918 5.2918 5.4294 5.4294 5.4770 5.4770 5.5216 5.5216 5.7786 5.7786 6.0949 6.0949 6.6843 6.6843 8.0970 8.0970 8.1823 8.1823 8.6449 8.6449 9.8765 9.8765 10.7272 10.7272 11.7752 11.7752 13.0960 13.0960 k = 0.1905-0.0000-0.0000 ( 4149 PWs) bands (ev): -7.4816 -7.4816 -6.4226 -6.4226 -4.0200 -4.0200 -3.6984 -3.6984 1.9792 1.9792 2.6227 2.6227 2.7748 2.7748 3.3412 3.3412 3.8527 3.8527 4.2242 4.2242 4.5193 4.5193 4.6117 4.6117 4.8028 4.8028 5.0578 5.0578 5.2938 5.2938 5.4363 5.4363 5.4784 5.4784 5.5208 5.5208 5.7822 5.7822 6.0729 6.0729 6.7020 6.7020 7.9870 7.9870 8.1225 8.1225 8.5986 8.5986 9.8545 9.8545 10.7015 10.7015 11.7323 11.7323 13.2136 13.2136 k = 0.2024-0.0000-0.0000 ( 4151 PWs) bands (ev): -7.4586 -7.4586 -6.4227 -6.4227 -4.0063 -4.0063 -3.6921 -3.6921 2.0148 2.0148 2.6065 2.6065 2.7372 2.7372 3.3320 3.3320 3.8271 3.8271 4.2281 4.2281 4.5067 4.5067 4.5896 4.5896 4.7428 4.7428 5.0981 5.0981 5.2968 5.2968 5.4421 5.4421 5.4803 5.4803 5.5209 5.5209 5.7844 5.7844 6.0518 6.0518 6.7195 6.7195 7.8762 7.8762 8.0652 8.0652 8.5497 8.5497 9.8300 9.8300 10.6737 10.6737 11.6875 11.6875 13.3075 13.3075 k = 0.2143-0.0000-0.0000 ( 4139 PWs) bands (ev): -7.4346 -7.4346 -6.4233 -6.4233 -3.9921 -3.9921 -3.6858 -3.6858 2.0518 2.0518 2.5855 2.5855 2.6986 2.6986 3.3235 3.3235 3.8085 3.8085 4.2320 4.2320 4.4847 4.4847 4.5744 4.5744 4.6829 4.6829 5.1394 5.1394 5.3018 5.3018 5.4467 5.4467 5.4823 5.4823 5.5224 5.5224 5.7851 5.7851 6.0315 6.0315 6.7367 6.7367 7.7658 7.7658 8.0101 8.0101 8.4981 8.4981 9.8034 9.8034 10.6437 10.6437 11.6419 11.6419 13.3635 13.3635 k = 0.2262-0.0000-0.0000 ( 4141 PWs) bands (ev): -7.4096 -7.4096 -6.4244 -6.4244 -3.9774 -3.9774 -3.6794 -3.6794 2.0898 2.0898 2.5586 2.5586 2.6612 2.6612 3.3157 3.3157 3.7962 3.7962 4.2353 4.2353 4.4533 4.4533 4.5637 4.5637 4.6268 4.6268 5.1781 5.1781 5.3107 5.3107 5.4502 5.4502 5.4841 5.4841 5.5260 5.5260 5.7845 5.7845 6.0118 6.0118 6.7537 6.7537 7.6563 7.6563 7.9573 7.9573 8.4442 8.4442 9.7749 9.7749 10.6116 10.6116 11.5966 11.5966 13.3719 13.3719 k = 0.2381-0.0000-0.0000 ( 4139 PWs) bands (ev): -7.3835 -7.3835 -6.4261 -6.4261 -3.9623 -3.9623 -3.6732 -3.6732 2.1284 2.1284 2.5251 2.5251 2.6268 2.6268 3.3087 3.3087 3.7898 3.7898 4.2377 4.2377 4.4157 4.4157 4.5410 4.5410 4.5900 4.5900 5.2099 5.2099 5.3266 5.3266 5.4534 5.4534 5.4852 5.4852 5.5317 5.5317 5.7828 5.7828 5.9927 5.9927 6.7704 6.7704 7.5482 7.5482 7.9067 7.9067 8.3882 8.3882 9.7449 9.7449 10.5773 10.5773 11.5524 11.5524 13.3357 13.3357 k = 0.2500-0.0000-0.0000 ( 4135 PWs) bands (ev): -7.3566 -7.3566 -6.4284 -6.4284 -3.9469 -3.9469 -3.6670 -3.6670 2.1665 2.1665 2.4866 2.4866 2.5956 2.5956 3.3026 3.3026 3.7886 3.7886 4.2383 4.2383 4.3749 4.3749 4.4941 4.4941 4.5831 4.5831 5.2311 5.2311 5.3515 5.3515 5.4579 5.4579 5.4857 5.4857 5.5394 5.5394 5.7801 5.7801 5.9741 5.9741 6.7870 6.7870 7.4420 7.4420 7.8581 7.8581 8.3304 8.3304 9.7139 9.7139 10.5410 10.5410 11.5099 11.5099 13.2670 13.2670 k = 0.2619-0.0000-0.0000 ( 4133 PWs) bands (ev): -7.3288 -7.3288 -6.4316 -6.4316 -3.9312 -3.9312 -3.6610 -3.6610 2.2016 2.2016 2.4474 2.4474 2.5665 2.5665 3.2975 3.2975 3.7918 3.7918 4.2349 4.2349 4.3343 4.3343 4.4426 4.4426 4.5860 4.5860 5.2426 5.2426 5.3803 5.3803 5.4663 5.4663 5.4872 5.4872 5.5483 5.5483 5.7766 5.7766 5.9559 5.9559 6.8033 6.8033 7.3380 7.3380 7.8115 7.8115 8.2710 8.2710 9.6823 9.6823 10.5027 10.5027 11.4698 11.4698 13.1784 13.1784 k = 0.2738-0.0000-0.0000 ( 4139 PWs) bands (ev): -7.3003 -7.3003 -6.4355 -6.4355 -3.9152 -3.9152 -3.6552 -3.6552 2.2283 2.2283 2.4144 2.4144 2.5389 2.5389 3.2934 3.2934 3.7989 3.7989 4.2221 4.2221 4.2995 4.2995 4.3932 4.3932 4.5923 4.5923 5.2478 5.2478 5.4026 5.4026 5.4755 5.4755 5.4997 5.4997 5.5581 5.5581 5.7726 5.7726 5.9381 5.9381 6.8194 6.8194 7.2367 7.2367 7.7665 7.7665 8.2105 8.2105 9.6506 9.6506 10.4624 10.4624 11.4325 11.4325 13.0786 13.0786 k = 0.2857-0.0000-0.0000 ( 4131 PWs) bands (ev): -7.2711 -7.2711 -6.4403 -6.4403 -3.8991 -3.8991 -3.6497 -3.6497 2.2358 2.2358 2.3979 2.3979 2.5140 2.5140 3.2904 3.2904 3.8091 3.8091 4.1937 4.1937 4.2746 4.2746 4.3495 4.3495 4.6010 4.6010 5.2496 5.2496 5.4136 5.4136 5.4771 5.4771 5.5325 5.5325 5.5695 5.5695 5.7685 5.7685 5.9206 5.9206 6.8355 6.8355 7.1385 7.1385 7.7230 7.7230 8.1491 8.1491 9.6193 9.6193 10.4204 10.4204 11.3984 11.3984 12.9732 12.9732 k = 0.2976-0.0000-0.0000 ( 4131 PWs) bands (ev): -7.2412 -7.2412 -6.4461 -6.4461 -3.8829 -3.8829 -3.6446 -3.6446 2.2181 2.2181 2.3982 2.3982 2.4980 2.4980 3.2887 3.2887 3.8220 3.8220 4.1536 4.1536 4.2491 4.2491 4.3189 4.3189 4.6115 4.6115 5.2492 5.2492 5.4179 5.4179 5.4762 5.4762 5.5656 5.5656 5.5901 5.5901 5.7651 5.7651 5.9037 5.9037 6.8514 6.8514 7.0439 7.0439 7.6806 7.6806 8.0873 8.0873 9.5889 9.5889 10.3768 10.3768 11.3676 11.3676 12.8654 12.8654 k = 0.3095-0.0000-0.0000 ( 4137 PWs) bands (ev): -7.2108 -7.2108 -6.4528 -6.4528 -3.8667 -3.8667 -3.6399 -3.6399 2.1847 2.1847 2.3924 2.3924 2.5050 2.5050 3.2882 3.2882 3.8368 3.8368 4.1092 4.1092 4.2124 4.2124 4.3050 4.3050 4.6236 4.6236 5.2471 5.2471 5.4190 5.4190 5.4749 5.4749 5.5803 5.5803 5.6300 5.6300 5.7642 5.7642 5.8876 5.8876 6.8667 6.8667 6.9540 6.9540 7.6389 7.6389 8.0254 8.0254 9.5600 9.5600 10.3316 10.3316 11.3405 11.3405 12.7575 12.7575 k = 0.3214-0.0000-0.0000 ( 4137 PWs) bands (ev): -7.1800 -7.1800 -6.4606 -6.4606 -3.8505 -3.8505 -3.6356 -3.6356 2.1460 2.1460 2.3697 2.3697 2.5363 2.5363 3.2891 3.2891 3.8528 3.8528 4.0639 4.0639 4.1691 4.1691 4.3002 4.3002 4.6374 4.6374 5.2436 5.2436 5.4190 5.4190 5.4737 5.4737 5.5895 5.5895 5.6688 5.6688 5.7700 5.7700 5.8730 5.8730 6.8591 6.8591 6.8915 6.8915 7.5976 7.5976 7.9637 7.9637 9.5330 9.5330 10.2851 10.2851 11.3172 11.3172 12.6507 12.6507 k = 0.3333-0.0000-0.0000 ( 4141 PWs) bands (ev): -7.1488 -7.1488 -6.4696 -6.4696 -3.8345 -3.8345 -3.6318 -3.6318 2.1065 2.1065 2.3382 2.3382 2.5797 2.5797 3.2914 3.2914 3.8690 3.8690 4.0194 4.0194 4.1243 4.1243 4.2985 4.2985 4.6528 4.6528 5.2387 5.2387 5.4186 5.4186 5.4727 5.4727 5.5968 5.5968 5.6927 5.6927 5.7882 5.7882 5.8627 5.8627 6.7825 6.7825 6.9033 6.9033 7.5563 7.5563 7.9026 7.9026 9.5086 9.5086 10.2375 10.2375 11.2978 11.2978 12.5459 12.5459 k = 0.3452-0.0000-0.0000 ( 4135 PWs) bands (ev): -7.1173 -7.1173 -6.4797 -6.4797 -3.8186 -3.8186 -3.6286 -3.6286 2.0684 2.0684 2.3029 2.3029 2.6286 2.6286 3.2952 3.2952 3.8825 3.8825 3.9778 3.9778 4.0802 4.0802 4.2978 4.2978 4.6698 4.6698 5.2326 5.2326 5.4182 5.4182 5.4720 5.4720 5.6024 5.6024 5.7006 5.7006 5.8073 5.8073 5.8682 5.8682 6.7074 6.7074 6.9198 6.9198 7.5145 7.5145 7.8424 7.8424 9.4871 9.4871 10.1889 10.1889 11.2825 11.2825 12.4438 12.4438 k = 0.3571-0.0000-0.0000 ( 4142 PWs) bands (ev): -7.0856 -7.0856 -6.4910 -6.4910 -3.8029 -3.8029 -3.6260 -3.6260 2.0327 2.0327 2.2658 2.2658 2.6805 2.6805 3.3005 3.3005 3.8844 3.8844 3.9459 3.9459 4.0397 4.0397 4.2970 4.2970 4.6881 4.6881 5.2248 5.2248 5.4180 5.4180 5.4717 5.4717 5.6061 5.6061 5.7005 5.7005 5.8071 5.8071 5.9006 5.9006 6.6391 6.6391 6.9372 6.9372 7.4719 7.4719 7.7834 7.7834 9.4691 9.4691 10.1396 10.1396 11.2713 11.2713 12.3449 12.3449 k = 0.3690-0.0000-0.0000 ( 4142 PWs) bands (ev): -7.0538 -7.0538 -6.5035 -6.5035 -3.7876 -3.7876 -3.6240 -3.6240 2.0002 2.0002 2.2280 2.2280 2.7343 2.7343 3.3074 3.3074 3.8608 3.8608 3.9300 3.9300 4.0103 4.0103 4.2958 4.2958 4.7080 4.7080 5.2155 5.2155 5.4184 5.4184 5.4719 5.4719 5.6077 5.6077 5.6975 5.6975 5.7986 5.7986 5.9426 5.9426 6.5796 6.5796 6.9553 6.9553 7.4282 7.4282 7.7259 7.7259 9.4549 9.4549 10.0898 10.0898 11.2643 11.2643 12.2495 12.2495 k = 0.3810-0.0000-0.0000 ( 4146 PWs) bands (ev): -7.0219 -7.0219 -6.5173 -6.5173 -3.7726 -3.7726 -3.6228 -3.6228 1.9712 1.9712 2.1901 2.1901 2.7894 2.7894 3.3160 3.3160 3.8228 3.8228 3.9067 3.9067 4.0042 4.0042 4.2936 4.2936 4.7293 4.7293 5.2043 5.2043 5.4194 5.4194 5.4726 5.4726 5.6070 5.6070 5.6930 5.6930 5.7899 5.7899 5.9822 5.9822 6.5317 6.5317 6.9741 6.9741 7.3831 7.3831 7.6700 7.6700 9.4448 9.4448 10.0397 10.0397 11.2616 11.2616 12.1578 12.1578 k = 0.3929-0.0000-0.0000 ( 4156 PWs) bands (ev): -6.9902 -6.9902 -6.5324 -6.5324 -3.7581 -3.7581 -3.6224 -3.6224 1.9459 1.9459 2.1527 2.1527 2.8453 2.8453 3.3262 3.3262 3.7812 3.7812 3.8704 3.8704 4.0161 4.0161 4.2905 4.2905 4.7518 4.7518 5.1914 5.1914 5.4212 5.4212 5.4738 5.4738 5.6041 5.6041 5.6871 5.6871 5.7837 5.7837 6.0133 6.0133 6.4990 6.4990 6.9937 6.9937 7.3362 7.3362 7.6159 7.6159 9.4392 9.4392 9.9897 9.9897 11.2632 11.2632 12.0701 12.0701 k = 0.4048-0.0000-0.0000 ( 4164 PWs) bands (ev): -6.9587 -6.9587 -6.5488 -6.5488 -3.7441 -3.7441 -3.6227 -3.6227 1.9247 1.9247 2.1162 2.1162 2.9017 2.9017 3.3380 3.3380 3.7386 3.7386 3.8296 3.8296 4.0346 4.0346 4.2861 4.2861 4.7756 4.7756 5.1765 5.1765 5.4237 5.4237 5.4754 5.4754 5.5996 5.5996 5.6793 5.6793 5.7812 5.7812 6.0313 6.0313 6.4852 6.4852 7.0143 7.0143 7.2876 7.2876 7.5639 7.5639 9.4382 9.4382 9.9400 9.9400 11.2692 11.2692 11.9866 11.9866 k = 0.4167-0.0000-0.0000 ( 4156 PWs) bands (ev): -6.9274 -6.9274 -6.5664 -6.5664 -3.7307 -3.7307 -3.6238 -3.6238 1.9076 1.9076 2.0812 2.0812 2.9583 2.9583 3.3514 3.3514 3.6958 3.6958 3.7877 3.7877 4.0555 4.0555 4.2803 4.2803 4.8006 4.8006 5.1597 5.1597 5.4272 5.4272 5.4772 5.4772 5.5942 5.5942 5.6697 5.6697 5.7828 5.7828 6.0338 6.0338 6.4922 6.4922 7.0359 7.0359 7.2371 7.2371 7.5140 7.5140 9.4418 9.4418 9.8909 9.8909 11.2796 11.2796 11.9074 11.9074 k = 0.4286-0.0000-0.0000 ( 4156 PWs) bands (ev): -6.8965 -6.8965 -6.5853 -6.5853 -3.7178 -3.7178 -3.6258 -3.6258 1.8947 1.8947 2.0480 2.0480 3.0149 3.0149 3.3662 3.3662 3.6530 3.6530 3.7461 3.7461 4.0771 4.0771 4.2731 4.2731 4.8266 4.8266 5.1410 5.1410 5.4315 5.4315 5.4791 5.4791 5.5885 5.5885 5.6585 5.6585 5.7880 5.7880 6.0229 6.0229 6.5179 6.5179 7.0587 7.0587 7.1846 7.1846 7.4663 7.4663 9.4501 9.4501 9.8427 9.8427 11.2944 11.2944 11.8326 11.8326 k = 0.4405-0.0000-0.0000 ( 4156 PWs) bands (ev): -6.8660 -6.8660 -6.6055 -6.6055 -3.7057 -3.7057 -3.6287 -3.6287 1.8861 1.8861 2.0169 2.0169 3.0712 3.0712 3.3818 3.3818 3.6106 3.6106 3.7056 3.7056 4.0989 4.0989 4.2644 4.2644 4.8536 4.8536 5.1203 5.1203 5.4366 5.4366 5.4805 5.4805 5.5835 5.5835 5.6463 5.6463 5.7966 5.7966 6.0029 6.0029 6.5573 6.5573 7.0825 7.0825 7.1305 7.1305 7.4209 7.4209 9.4630 9.4630 9.7957 9.7957 11.3138 11.3138 11.7622 11.7622 k = 0.4524-0.0000-0.0000 ( 4160 PWs) bands (ev): -6.8361 -6.8361 -6.6269 -6.6269 -3.6942 -3.6942 -3.6324 -3.6324 1.8817 1.8817 1.9884 1.9884 3.1270 3.1270 3.3970 3.3970 3.5696 3.5696 3.6665 3.6665 4.1203 4.1203 4.2541 4.2541 4.8812 4.8812 5.0978 5.0978 5.4424 5.4424 5.4811 5.4811 5.5798 5.5798 5.6338 5.6338 5.8079 5.8079 5.9781 5.9781 6.6059 6.6059 7.0735 7.0735 7.1090 7.1090 7.3777 7.3777 9.4804 9.4804 9.7503 9.7503 11.3378 11.3378 11.6965 11.6965 k = 0.4643-0.0000-0.0000 ( 4154 PWs) bands (ev): -6.8069 -6.8069 -6.6494 -6.6494 -3.6835 -3.6835 -3.6371 -3.6371 1.8814 1.8814 1.9627 1.9627 3.1818 3.1818 3.4080 3.4080 3.5338 3.5338 3.6295 3.6295 4.1411 4.1411 4.2422 4.2422 4.9093 4.9093 5.0737 5.0737 5.4487 5.4487 5.4803 5.4803 5.5784 5.5784 5.6215 5.6215 5.8219 5.8219 5.9517 5.9517 6.6601 6.6601 7.0162 7.0162 7.1357 7.1357 7.3368 7.3368 9.5020 9.5020 9.7066 9.7066 11.3663 11.3663 11.6353 11.6353 k = 0.4762-0.0000-0.0000 ( 4150 PWs) bands (ev): -6.7783 -6.7783 -6.6732 -6.6732 -3.6736 -3.6736 -3.6426 -3.6426 1.8854 1.8854 1.9401 1.9401 3.2353 3.2353 3.4043 3.4043 3.5135 3.5135 3.5951 3.5951 4.1610 4.1610 4.2288 4.2288 4.9377 4.9377 5.0482 5.0482 5.4552 5.4552 5.4777 5.4777 5.5798 5.5798 5.6100 5.6100 5.8382 5.8382 5.9256 5.9256 6.7177 6.7177 6.9574 6.9574 7.1643 7.1643 7.2982 7.2982 9.5277 9.5277 9.6652 9.6652 11.3995 11.3995 11.5788 11.5788 k = 0.4881-0.0000-0.0000 ( 4150 PWs) bands (ev): -6.7506 -6.7506 -6.6980 -6.6980 -3.6646 -3.6646 -3.6490 -3.6490 1.8934 1.8934 1.9209 1.9209 3.2869 3.2869 3.3772 3.3772 3.5173 3.5173 3.5638 3.5638 4.1799 4.1799 4.2139 4.2139 4.9660 4.9660 5.0216 5.0216 5.4619 5.4619 5.4736 5.4736 5.5840 5.5840 5.5996 5.5996 5.8568 5.8568 5.9007 5.9007 6.7771 6.7771 6.8976 6.8976 7.1948 7.1948 7.2616 7.2616 9.5572 9.5572 9.6262 9.6262 11.4373 11.4373 11.5270 11.5270 k = 0.5000-0.0000-0.0000 ( 4156 PWs) bands (ev): -6.7238 -6.7238 -6.7238 -6.7238 -3.6564 -3.6564 -3.6564 -3.6564 1.9053 1.9053 1.9053 1.9053 3.3353 3.3353 3.3353 3.3353 3.5368 3.5368 3.5368 3.5368 4.1975 4.1975 4.1975 4.1975 4.9941 4.9941 4.9941 4.9941 5.4681 5.4681 5.4681 5.4681 5.5907 5.5907 5.5907 5.5907 5.8777 5.8777 5.8777 5.8777 6.8373 6.8373 6.8373 6.8373 7.2272 7.2272 7.2272 7.2272 9.5901 9.5901 9.5901 9.5901 11.4798 11.4798 11.4798 11.4798 k = 0.5000-0.0000-0.0000 ( 4156 PWs) bands (ev): -6.7238 -6.7238 -6.7238 -6.7238 -3.6564 -3.6564 -3.6564 -3.6564 1.9053 1.9053 1.9053 1.9053 3.3353 3.3353 3.3353 3.3353 3.5368 3.5368 3.5368 3.5368 4.1975 4.1975 4.1975 4.1975 4.9941 4.9941 4.9941 4.9941 5.4681 5.4681 5.4681 5.4681 5.5907 5.5907 5.5907 5.5907 5.8777 5.8777 5.8777 5.8777 6.8373 6.8373 6.8373 6.8373 7.2272 7.2272 7.2272 7.2272 9.5901 9.5901 9.5901 9.5901 11.4798 11.4798 11.4798 11.4798 k = 0.5000 0.0117-0.0000 ( 4152 PWs) bands (ev): -6.7234 -6.7234 -6.7234 -6.7234 -3.6573 -3.6573 -3.6572 -3.6572 1.9048 1.9048 1.9077 1.9077 3.3175 3.3175 3.3401 3.3401 3.5317 3.5317 3.5543 3.5543 4.1962 4.1962 4.1983 4.1983 4.9942 4.9942 4.9958 4.9958 5.4671 5.4671 5.4687 5.4687 5.5902 5.5902 5.5911 5.5911 5.8739 5.8739 5.8757 5.8757 6.8319 6.8319 6.8390 6.8390 7.2269 7.2269 7.2304 7.2304 9.5919 9.5919 9.5958 9.5958 11.4827 11.4827 11.4900 11.4900 k = 0.5000 0.0233-0.0000 ( 4154 PWs) bands (ev): -6.7223 -6.7223 -6.7222 -6.7222 -3.6599 -3.6599 -3.6597 -3.6597 1.9065 1.9065 1.9123 1.9123 3.2917 3.2917 3.3305 3.3305 3.5403 3.5403 3.5789 3.5789 4.1945 4.1945 4.1985 4.1985 4.9962 4.9962 4.9994 4.9994 5.4658 5.4658 5.4690 5.4690 5.5895 5.5895 5.5913 5.5913 5.8643 5.8643 5.8678 5.8678 6.8228 6.8228 6.8368 6.8368 7.2293 7.2293 7.2363 7.2363 9.6011 9.6011 9.6088 9.6088 11.4986 11.4986 11.5133 11.5133 k = 0.5000 0.0350-0.0000 ( 4152 PWs) bands (ev): -6.7203 -6.7203 -6.7201 -6.7201 -3.6643 -3.6643 -3.6638 -3.6638 1.9102 1.9102 1.9189 1.9189 3.2621 3.2621 3.3101 3.3101 3.5586 3.5586 3.6063 3.6063 4.1924 4.1924 4.1984 4.1984 5.0000 5.0000 5.0047 5.0047 5.4642 5.4642 5.4688 5.4688 5.5887 5.5887 5.5913 5.5913 5.8491 5.8491 5.8544 5.8544 6.8103 6.8103 6.8311 6.8311 7.2348 7.2348 7.2452 7.2452 9.6176 9.6176 9.6290 9.6290 11.5274 11.5274 11.5492 11.5492 k = 0.5000 0.0466-0.0000 ( 4152 PWs) bands (ev): -6.7175 -6.7175 -6.7173 -6.7173 -3.6702 -3.6702 -3.6697 -3.6697 1.9160 1.9160 1.9276 1.9276 3.2311 3.2311 3.2843 3.2843 3.5810 3.5810 3.6338 3.6338 4.1904 4.1904 4.1981 4.1981 5.0055 5.0055 5.0116 5.0116 5.4622 5.4622 5.4681 5.4681 5.5876 5.5876 5.5911 5.5911 5.8286 5.8286 5.8357 5.8357 6.7951 6.7951 6.8221 6.8221 7.2436 7.2436 7.2570 7.2570 9.6409 9.6409 9.6560 9.6560 11.5686 11.5686 11.5974 11.5974 k = 0.5000 0.0583-0.0000 ( 4160 PWs) bands (ev): -6.7139 -6.7139 -6.7137 -6.7137 -3.6778 -3.6778 -3.6771 -3.6771 1.9238 1.9238 1.9383 1.9383 3.2002 3.2002 3.2564 3.2564 3.6038 3.6038 3.6594 3.6594 4.1887 4.1887 4.1980 4.1980 5.0123 5.0123 5.0199 5.0199 5.4597 5.4597 5.4667 5.4667 5.5861 5.5861 5.5905 5.5905 5.8033 5.8033 5.8120 5.8120 6.7775 6.7775 6.8104 6.8104 7.2558 7.2558 7.2721 7.2721 9.6707 9.6707 9.6893 9.6893 11.6217 11.6217 11.6572 11.6572 k = 0.5000 0.0699-0.0000 ( 4172 PWs) bands (ev): -6.7096 -6.7096 -6.7093 -6.7093 -3.6869 -3.6869 -3.6861 -3.6861 1.9336 1.9336 1.9510 1.9510 3.1704 3.1704 3.2283 3.2283 3.6245 3.6245 3.6817 3.6817 4.1878 4.1878 4.1986 4.1986 5.0203 5.0203 5.0292 5.0292 5.4569 5.4569 5.4644 5.4644 5.5840 5.5840 5.5895 5.5895 5.7740 5.7740 5.7840 5.7840 6.7584 6.7584 6.7963 6.7963 7.2717 7.2717 7.2908 7.2908 9.7065 9.7065 9.7283 9.7283 11.6860 11.6860 11.7280 11.7280 k = 0.5000 0.0816-0.0000 ( 4174 PWs) bands (ev): -6.7046 -6.7046 -6.7043 -6.7043 -3.6975 -3.6975 -3.6965 -3.6965 1.9455 1.9455 1.9657 1.9657 3.1422 3.1422 3.2012 3.2012 3.6413 3.6413 3.6995 3.6995 4.1881 4.1881 4.2002 4.2002 5.0291 5.0291 5.0392 5.0392 5.4535 5.4535 5.4608 5.4608 5.5810 5.5810 5.5878 5.5878 5.7420 5.7420 5.7527 5.7527 6.7384 6.7384 6.7806 6.7806 7.2918 7.2918 7.3133 7.3133 9.7475 9.7475 9.7725 9.7725 11.7607 11.7607 11.8091 11.8091 k = 0.5000 0.0932-0.0000 ( 4156 PWs) bands (ev): -6.6989 -6.6989 -6.6985 -6.6985 -3.7094 -3.7094 -3.7083 -3.7083 1.9593 1.9593 1.9823 1.9823 3.1161 3.1161 3.1758 3.1758 3.6532 3.6532 3.7120 3.7120 4.1902 4.1902 4.2033 4.2033 5.0381 5.0381 5.0492 5.0492 5.4495 5.4495 5.4553 5.4553 5.5763 5.5763 5.5849 5.5849 5.7095 5.7095 5.7195 5.7195 6.7182 6.7182 6.7639 6.7639 7.3163 7.3163 7.3402 7.3402 9.7931 9.7931 9.8210 9.8210 11.8450 11.8450 11.8995 11.8995 k = 0.5000 0.1049-0.0000 ( 4152 PWs) bands (ev): -6.6926 -6.6926 -6.6922 -6.6922 -3.7226 -3.7226 -3.7214 -3.7214 1.9750 1.9750 2.0008 2.0008 3.0925 3.0925 3.1526 3.1526 3.6594 3.6594 3.7185 3.7185 4.1940 4.1940 4.2080 4.2080 5.0466 5.0466 5.0586 5.0586 5.4446 5.4446 5.4464 5.4464 5.5690 5.5690 5.5795 5.5795 5.6794 5.6794 5.6866 5.6866 6.6984 6.6984 6.7467 6.7467 7.3456 7.3456 7.3716 7.3716 9.8425 9.8425 9.8732 9.8732 11.9380 11.9380 11.9984 11.9984 k = 0.5000 0.1166-0.0000 ( 4152 PWs) bands (ev): -6.6857 -6.6857 -6.6852 -6.6852 -3.7370 -3.7370 -3.7356 -3.7356 1.9926 1.9926 2.0211 2.0211 3.0716 3.0716 3.1318 3.1318 3.6595 3.6595 3.7188 3.7188 4.1997 4.1997 4.2142 4.2142 5.0537 5.0537 5.0661 5.0661 5.4323 5.4323 5.4385 5.4385 5.5583 5.5583 5.5694 5.5694 5.6554 5.6554 5.6578 5.6578 6.6794 6.6794 6.7296 6.7296 7.3800 7.3800 7.4080 7.4080 9.8949 9.8949 9.9282 9.9282 12.0387 12.0387 12.1049 12.1049 k = 0.5000 0.1282-0.0000 ( 4144 PWs) bands (ev): -6.6782 -6.6782 -6.6777 -6.6777 -3.7523 -3.7523 -3.7508 -3.7508 2.0121 2.0121 2.0433 2.0433 3.0537 3.0537 3.1138 3.1138 3.6535 3.6535 3.7130 3.7130 4.2072 4.2072 4.2220 4.2220 5.0579 5.0579 5.0705 5.0705 5.4111 5.4111 5.4307 5.4307 5.5457 5.5457 5.5528 5.5528 5.6371 5.6371 5.6395 5.6395 6.6617 6.6617 6.7130 6.7130 7.4199 7.4199 7.4497 7.4497 9.9493 9.9493 9.9851 9.9851 12.1460 12.1460 12.2180 12.2180 k = 0.5000 0.1399-0.0000 ( 4144 PWs) bands (ev): -6.6703 -6.6703 -6.6697 -6.6697 -3.7686 -3.7686 -3.7670 -3.7670 2.0333 2.0333 2.0672 2.0672 3.0387 3.0387 3.0987 3.0987 3.6417 3.6417 3.7015 3.7015 4.2159 4.2159 4.2307 4.2307 5.0575 5.0575 5.0698 5.0698 5.3829 5.3829 5.4205 5.4205 5.5314 5.5314 5.5345 5.5345 5.6251 5.6251 5.6303 5.6303 6.6456 6.6456 6.6972 6.6972 7.4655 7.4655 7.4970 7.4970 10.0049 10.0049 10.0430 10.0430 12.2589 12.2589 12.3367 12.3367 k = 0.5000 0.1515-0.0000 ( 4136 PWs) bands (ev): -6.6620 -6.6620 -6.6614 -6.6614 -3.7855 -3.7855 -3.7838 -3.7838 2.0563 2.0563 2.0927 2.0927 3.0269 3.0269 3.0865 3.0865 3.6246 3.6246 3.6849 3.6849 4.2256 4.2256 4.2400 4.2400 5.0498 5.0498 5.0620 5.0620 5.3513 5.3513 5.4082 5.4082 5.5108 5.5108 5.5263 5.5263 5.6188 5.6188 5.6255 5.6255 6.6314 6.6314 6.6826 6.6826 7.5170 7.5170 7.5500 7.5500 10.0607 10.0607 10.1009 10.1009 12.3760 12.3760 12.4599 12.4599 k = 0.5000 0.1632-0.0000 ( 4144 PWs) bands (ev): -6.6533 -6.6533 -6.6526 -6.6526 -3.8031 -3.8031 -3.8013 -3.8013 2.0810 2.0810 2.1199 2.1199 3.0183 3.0183 3.0773 3.0773 3.6029 3.6029 3.6637 3.6637 4.2356 4.2356 4.2493 4.2493 5.0320 5.0320 5.0450 5.0450 5.3212 5.3212 5.3951 5.3951 5.4943 5.4943 5.5210 5.5210 5.6152 5.6152 5.6231 5.6231 6.6189 6.6189 6.6692 6.6692 7.5746 7.5746 7.6091 7.6091 10.1155 10.1155 10.1579 10.1579 12.4963 12.4963 12.5864 12.5864 k = 0.5000 0.1748-0.0000 ( 4142 PWs) bands (ev): -6.6444 -6.6444 -6.6437 -6.6437 -3.8211 -3.8211 -3.8192 -3.8192 2.1074 2.1074 2.1485 2.1485 3.0128 3.0128 3.0710 3.0710 3.5772 3.5772 3.6388 3.6388 4.2455 4.2455 4.2582 4.2582 5.0020 5.0020 5.0177 5.0177 5.2971 5.2971 5.3838 5.3838 5.4825 5.4825 5.5179 5.5179 5.6132 5.6132 5.6223 5.6223 6.6082 6.6082 6.6574 6.6574 7.6384 7.6384 7.6741 7.6741 10.1685 10.1685 10.2129 10.2129 12.6180 12.6180 12.7148 12.7148 k = 0.5000 0.1865-0.0000 ( 4138 PWs) bands (ev): -6.6352 -6.6352 -6.6345 -6.6345 -3.8393 -3.8393 -3.8373 -3.8373 2.1353 2.1353 2.1787 2.1787 3.0103 3.0103 3.0676 3.0676 3.5483 3.5483 3.6108 3.6108 4.2549 4.2549 4.2662 4.2662 4.9599 4.9599 4.9805 4.9805 5.2805 5.2805 5.3759 5.3759 5.4741 5.4741 5.5162 5.5162 5.6119 5.6119 5.6223 5.6223 6.5994 6.5994 6.6469 6.6469 7.7082 7.7082 7.7452 7.7452 10.2184 10.2184 10.2648 10.2648 12.7397 12.7397 12.8436 12.8436 k = 0.5000 0.1982-0.0000 ( 4142 PWs) bands (ev): -6.6260 -6.6260 -6.6252 -6.6252 -3.8576 -3.8576 -3.8555 -3.8555 2.1647 2.1647 2.2101 2.2101 3.0107 3.0107 3.0668 3.0668 3.5168 3.5168 3.5805 3.5805 4.2634 4.2634 4.2729 4.2729 4.9083 4.9083 4.9351 4.9351 5.2703 5.2703 5.3717 5.3717 5.4681 5.4681 5.5153 5.5153 5.6111 5.6111 5.6228 5.6228 6.5921 6.5921 6.6379 6.6379 7.7840 7.7840 7.8221 7.8221 10.2641 10.2641 10.3124 10.3124 12.8593 12.8593 12.9709 12.9709 k = 0.5000 0.2098-0.0000 ( 4140 PWs) bands (ev): -6.6168 -6.6168 -6.6159 -6.6159 -3.8759 -3.8759 -3.8737 -3.8737 2.1956 2.1956 2.2429 2.2429 3.0136 3.0136 3.0682 3.0682 3.4835 3.4835 3.5487 3.5487 4.2707 4.2707 4.2779 4.2779 4.8503 4.8503 4.8837 4.8837 5.2644 5.2644 5.3704 5.3704 5.4638 5.4638 5.5152 5.5152 5.6106 5.6106 5.6238 5.6238 6.5863 6.5863 6.6302 6.6302 7.8653 7.8653 7.9046 7.9046 10.3044 10.3044 10.3547 10.3547 12.9745 12.9745 13.0944 13.0944 k = 0.5000 0.2215-0.0000 ( 4128 PWs) bands (ev): -6.6076 -6.6076 -6.6067 -6.6067 -3.8938 -3.8938 -3.8916 -3.8916 2.2278 2.2278 2.2769 2.2769 3.0185 3.0185 3.0714 3.0714 3.4494 3.4494 3.5163 3.5163 4.2765 4.2765 4.2805 4.2805 4.7891 4.7891 4.8286 4.8286 5.2613 5.2613 5.3710 5.3710 5.4608 5.4608 5.5154 5.5154 5.6104 5.6104 5.6249 5.6249 6.5817 6.5817 6.6237 6.6237 7.9518 7.9518 7.9923 7.9923 10.3381 10.3381 10.3905 10.3905 13.0827 13.0827 13.2112 13.2112 k = 0.5000 0.2331-0.0000 ( 4140 PWs) bands (ev): -6.5986 -6.5986 -6.5977 -6.5977 -3.9114 -3.9114 -3.9090 -3.9090 2.2613 2.2613 2.3120 2.3120 3.0247 3.0247 3.0754 3.0754 3.4155 3.4155 3.4843 3.4843 4.2800 4.2800 4.2804 4.2804 4.7271 4.7271 4.7718 4.7718 5.2595 5.2595 5.3724 5.3724 5.4587 5.4587 5.5158 5.5158 5.6102 5.6102 5.6261 5.6261 6.5782 6.5782 6.6183 6.6183 8.0428 8.0428 8.0846 8.0846 10.3642 10.3642 10.4186 10.4186 13.1807 13.1807 13.3178 13.3178 k = 0.5000 0.2448-0.0000 ( 4142 PWs) bands (ev): -6.5899 -6.5899 -6.5889 -6.5889 -3.9283 -3.9283 -3.9259 -3.9259 2.2961 2.2961 2.3481 2.3481 3.0311 3.0311 3.0789 3.0789 3.3833 3.3833 3.4541 3.4541 4.2754 4.2754 4.2818 4.2818 4.6670 4.6670 4.7153 4.7153 5.2585 5.2585 5.3740 5.3740 5.4574 5.4574 5.5164 5.5164 5.6101 5.6101 5.6274 5.6274 6.5756 6.5756 6.6139 6.6139 8.1376 8.1376 8.1809 8.1809 10.3815 10.3815 10.4383 10.4383 13.2658 13.2658 13.4105 13.4105 k = 0.5000 0.2564-0.0000 ( 4138 PWs) bands (ev): -6.5815 -6.5815 -6.5805 -6.5805 -3.9444 -3.9444 -3.9419 -3.9419 2.3319 2.3319 2.3852 2.3852 3.0361 3.0361 3.0800 3.0800 3.3549 3.3549 3.4273 3.4273 4.2652 4.2652 4.2803 4.2803 4.6113 4.6113 4.6608 4.6608 5.2578 5.2578 5.3756 5.3756 5.4567 5.4567 5.5171 5.5171 5.6101 5.6101 5.6286 5.6286 6.5737 6.5737 6.6103 6.6103 8.2355 8.2355 8.2805 8.2805 10.3893 10.3893 10.4486 10.4486 13.3356 13.3356 13.4861 13.4861 k = 0.5000 0.2681-0.0000 ( 4142 PWs) bands (ev): -6.5735 -6.5735 -6.5725 -6.5725 -3.9596 -3.9596 -3.9570 -3.9570 2.3688 2.3688 2.4231 2.4231 3.0379 3.0379 3.0761 3.0761 3.3327 3.3327 3.4060 3.4060 4.2476 4.2476 4.2749 4.2749 4.5628 4.5628 4.6102 4.6102 5.2573 5.2573 5.3769 5.3769 5.4565 5.4565 5.5177 5.5177 5.6101 5.6101 5.6298 5.6298 6.5723 6.5723 6.6074 6.6074 8.3352 8.3352 8.3824 8.3824 10.3870 10.3870 10.4493 10.4493 13.3895 13.3895 13.5426 13.5426 k = 0.5000 0.2797-0.0000 ( 4134 PWs) bands (ev): -6.5662 -6.5662 -6.5651 -6.5651 -3.9736 -3.9736 -3.9710 -3.9710 2.4066 2.4066 2.4619 2.4619 3.0340 3.0340 3.0648 3.0648 3.3191 3.3191 3.3923 3.3923 4.2212 4.2212 4.2648 4.2648 4.5236 4.5236 4.5654 4.5654 5.2568 5.2568 5.3778 5.3778 5.4568 5.4568 5.5184 5.5184 5.6102 5.6102 5.6308 5.6308 6.5715 6.5715 6.6051 6.6051 8.4355 8.4355 8.4853 8.4853 10.3748 10.3748 10.4404 10.4404 13.4285 13.4285 13.5812 13.5812 k = 0.5000 0.2914-0.0000 ( 4132 PWs) bands (ev): -6.5594 -6.5594 -6.5583 -6.5583 -3.9864 -3.9864 -3.9837 -3.9837 2.4452 2.4452 2.5014 2.5014 3.0230 3.0230 3.0450 3.0450 3.3150 3.3150 3.3877 3.3877 4.1862 4.1862 4.2492 4.2492 4.4945 4.4945 4.5280 4.5280 5.2564 5.2564 5.3784 5.3784 5.4573 5.4573 5.5190 5.5190 5.6103 5.6103 5.6318 5.6318 6.5709 6.5709 6.6033 6.6033 8.5349 8.5349 8.5879 8.5879 10.3529 10.3529 10.4223 10.4223 13.4554 13.4554 13.6054 13.6054 k = 0.5000 0.3031-0.0000 ( 4128 PWs) bands (ev): -6.5534 -6.5534 -6.5522 -6.5522 -3.9978 -3.9978 -3.9951 -3.9951 2.4843 2.4843 2.5416 2.5416 3.0041 3.0041 3.0176 3.0176 3.3190 3.3190 3.3923 3.3923 4.1446 4.1446 4.2284 4.2284 4.4744 4.4744 4.4990 4.4990 5.2559 5.2559 5.3787 5.3787 5.4579 5.4579 5.5196 5.5196 5.6104 5.6104 5.6327 5.6327 6.5706 6.5706 6.6020 6.6020 8.6315 8.6315 8.6883 8.6883 10.3226 10.3226 10.3964 10.3964 13.4737 13.4737 13.6198 13.6198 k = 0.5000 0.3147-0.0000 ( 4128 PWs) bands (ev): -6.5481 -6.5481 -6.5470 -6.5470 -4.0076 -4.0076 -4.0049 -4.0049 2.5236 2.5236 2.5823 2.5823 2.9783 2.9783 2.9849 2.9849 3.3285 3.3285 3.4047 3.4047 4.0998 4.0998 4.2038 4.2038 4.4611 4.4611 4.4779 4.4779 5.2555 5.2555 5.3788 5.3788 5.4586 5.4586 5.5201 5.5201 5.6105 5.6105 5.6334 5.6334 6.5705 6.5705 6.6009 6.6009 8.7228 8.7228 8.7842 8.7842 10.2858 10.2858 10.3647 10.3647 13.4865 13.4865 13.6285 13.6285 k = 0.5000 0.3264-0.0000 ( 4128 PWs) bands (ev): -6.5437 -6.5437 -6.5425 -6.5425 -4.0159 -4.0159 -4.0131 -4.0131 2.5627 2.5627 2.6234 2.6234 2.9471 2.9471 2.9493 2.9493 3.3407 3.3407 3.4222 3.4222 4.0553 4.0553 4.1781 4.1781 4.4525 4.4525 4.4635 4.4635 5.2551 5.2551 5.3788 5.3788 5.4592 5.4592 5.5204 5.5204 5.6105 5.6105 5.6339 5.6339 6.5704 6.5704 6.6001 6.6001 8.8059 8.8059 8.8726 8.8726 10.2455 10.2455 10.3301 10.3301 13.4959 13.4959 13.6343 13.6343 k = 0.5000 0.3380-0.0000 ( 4128 PWs) bands (ev): -6.5402 -6.5402 -6.5390 -6.5390 -4.0224 -4.0224 -4.0196 -4.0196 2.6005 2.6005 2.6648 2.6648 2.9119 2.9119 2.9130 2.9130 3.3531 3.3531 3.4418 3.4418 4.0148 4.0148 4.1542 4.1542 4.4471 4.4471 4.4540 4.4540 5.2548 5.2548 5.3787 5.3787 5.4597 5.4597 5.5208 5.5208 5.6106 5.6106 5.6343 5.6343 6.5705 6.5705 6.5996 6.5996 8.8772 8.8772 8.9495 8.9495 10.2056 10.2056 10.2961 10.2961 13.5031 13.5031 13.6387 13.6387 k = 0.5000 0.3497-0.0000 ( 4132 PWs) bands (ev): -6.5377 -6.5377 -6.5365 -6.5365 -4.0270 -4.0270 -4.0243 -4.0243 2.6352 2.6352 2.7060 2.7060 2.8743 2.8743 2.8789 2.8789 3.3637 3.3637 3.4599 3.4599 3.9817 3.9817 4.1349 4.1349 4.4437 4.4437 4.4481 4.4481 5.2545 5.2545 5.3786 5.3786 5.4601 5.4601 5.5210 5.5210 5.6106 5.6106 5.6346 5.6346 6.5705 6.5705 6.5992 6.5992 8.9327 8.9327 9.0103 9.0103 10.1710 10.1710 10.2671 10.2671 13.5084 13.5084 13.6421 13.6421 k = 0.5000 0.3613-0.0000 ( 4132 PWs) bands (ev): -6.5362 -6.5362 -6.5350 -6.5350 -4.0299 -4.0299 -4.0271 -4.0271 2.6623 2.6623 2.7462 2.7462 2.8361 2.8361 2.8520 2.8520 3.3708 3.3708 3.4728 3.4728 3.9598 3.9598 4.1223 4.1223 4.4420 4.4420 4.4450 4.4450 5.2544 5.2544 5.3785 5.3785 5.4603 5.4603 5.5211 5.5211 5.6106 5.6106 5.6348 5.6348 6.5705 6.5705 6.5990 6.5990 8.9681 8.9681 9.0498 9.0498 10.1472 10.1472 10.2475 10.2475 13.5118 13.5118 13.6443 13.6443 k = 0.5000 0.3730-0.0000 ( 4148 PWs) bands (ev): -6.5357 -6.5357 -6.5345 -6.5345 -4.0308 -4.0308 -4.0280 -4.0280 2.6734 2.6734 2.7738 2.7738 2.8091 2.8091 2.8410 2.8410 3.3733 3.3733 3.4776 3.4776 3.9520 3.9520 4.1180 4.1180 4.4414 4.4414 4.4439 4.4439 5.2543 5.2543 5.3784 5.3784 5.4604 5.4604 5.5211 5.5211 5.6106 5.6106 5.6348 5.6348 6.5705 6.5705 6.5989 6.5989 8.9804 8.9804 9.0635 9.0635 10.1387 10.1387 10.2405 10.2405 13.5130 13.5130 13.6451 13.6451 k = 0.5000 0.3730-0.0000 ( 4148 PWs) bands (ev): -6.5357 -6.5357 -6.5345 -6.5345 -4.0308 -4.0308 -4.0280 -4.0280 2.6734 2.6734 2.7738 2.7738 2.8091 2.8091 2.8410 2.8410 3.3733 3.3733 3.4776 3.4776 3.9520 3.9520 4.1180 4.1180 4.4414 4.4414 4.4439 4.4439 5.2543 5.2543 5.3784 5.3784 5.4604 5.4604 5.5211 5.5211 5.6106 5.6106 5.6348 5.6348 6.5705 6.5705 6.5989 6.5989 8.9804 8.9804 9.0635 9.0635 10.1387 10.1387 10.2405 10.2405 13.5130 13.5130 13.6451 13.6451 k = 0.4881 0.3730-0.0000 ( 4144 PWs) bands (ev): -6.5362 -6.5362 -6.5350 -6.5350 -4.0314 -4.0314 -4.0286 -4.0286 2.6673 2.6673 2.7626 2.7626 2.8152 2.8152 2.8515 2.8515 3.3738 3.3738 3.4776 3.4776 3.9556 3.9556 4.1210 4.1210 4.4433 4.4433 4.4454 4.4454 5.2545 5.2545 5.3787 5.3787 5.4604 5.4604 5.5212 5.5212 5.6110 5.6110 5.6352 5.6352 6.5703 6.5703 6.5987 6.5987 8.9787 8.9787 9.0619 9.0619 10.1394 10.1394 10.2412 10.2412 13.5125 13.5125 13.6445 13.6445 k = 0.4762 0.3730-0.0000 ( 4136 PWs) bands (ev): -6.5379 -6.5379 -6.5367 -6.5367 -4.0331 -4.0331 -4.0303 -4.0303 2.6512 2.6512 2.7386 2.7386 2.8311 2.8311 2.8735 2.8735 3.3755 3.3755 3.4778 3.4778 3.9662 3.9662 4.1298 4.1298 4.4493 4.4493 4.4499 4.4499 5.2551 5.2551 5.3795 5.3795 5.4604 5.4604 5.5216 5.5216 5.6125 5.6125 5.6364 5.6364 6.5698 6.5698 6.5982 6.5982 8.9736 8.9736 9.0570 9.0570 10.1414 10.1414 10.2432 10.2432 13.5111 13.5111 13.6429 13.6429 k = 0.4643 0.3730-0.0000 ( 4132 PWs) bands (ev): -6.5406 -6.5406 -6.5394 -6.5394 -4.0359 -4.0359 -4.0331 -4.0331 2.6289 2.6289 2.7097 2.7097 2.8531 2.8531 2.8991 2.8991 3.3790 3.3790 3.4789 3.4789 3.9829 3.9829 4.1436 4.1436 4.4574 4.4574 4.4595 4.4595 5.2562 5.2562 5.3808 5.3808 5.4605 5.4605 5.5222 5.5222 5.6149 5.6149 5.6383 5.6383 6.5689 6.5689 6.5972 6.5972 8.9653 8.9653 9.0489 9.0489 10.1447 10.1447 10.2465 10.2465 13.5089 13.5089 13.6403 13.6403 k = 0.4524 0.3730-0.0000 ( 4128 PWs) bands (ev): -6.5443 -6.5443 -6.5431 -6.5431 -4.0398 -4.0398 -4.0371 -4.0371 2.6028 2.6028 2.6780 2.6780 2.8788 2.8788 2.9262 2.9262 3.3851 3.3851 3.4815 3.4815 4.0048 4.0048 4.1612 4.1612 4.4681 4.4681 4.4741 4.4741 5.2576 5.2576 5.3825 5.3825 5.4606 5.4606 5.5231 5.5231 5.6184 5.6184 5.6413 5.6413 6.5676 6.5676 6.5959 6.5959 8.9540 8.9540 9.0380 9.0380 10.1491 10.1491 10.2508 10.2508 13.5061 13.5061 13.6368 13.6368 k = 0.4405 0.3730-0.0000 ( 4130 PWs) bands (ev): -6.5491 -6.5491 -6.5479 -6.5479 -4.0448 -4.0448 -4.0421 -4.0421 2.5738 2.5738 2.6438 2.6438 2.9068 2.9068 2.9544 2.9544 3.3944 3.3944 3.4867 3.4867 4.0306 4.0306 4.1813 4.1813 4.4822 4.4822 4.4936 4.4936 5.2594 5.2594 5.3846 5.3846 5.4606 5.4606 5.5241 5.5241 5.6230 5.6230 5.6451 5.6451 6.5660 6.5660 6.5943 6.5943 8.9399 8.9399 9.0244 9.0244 10.1542 10.1542 10.2558 10.2558 13.5027 13.5027 13.6327 13.6327 k = 0.4286 0.3730-0.0000 ( 4128 PWs) bands (ev): -6.5549 -6.5549 -6.5537 -6.5537 -4.0509 -4.0509 -4.0481 -4.0481 2.5426 2.5426 2.6076 2.6076 2.9367 2.9367 2.9835 2.9835 3.4077 3.4077 3.4951 3.4951 4.0590 4.0590 4.2026 4.2026 4.4999 4.4999 4.5182 4.5182 5.2617 5.2617 5.3870 5.3870 5.4607 5.4607 5.5252 5.5252 5.6289 5.6289 5.6502 5.6502 6.5641 6.5641 6.5924 6.5924 8.9235 8.9235 9.0084 9.0084 10.1598 10.1598 10.2613 10.2613 13.4989 13.4989 13.6281 13.6281 k = 0.4167 0.3730-0.0000 ( 4136 PWs) bands (ev): -6.5616 -6.5616 -6.5605 -6.5605 -4.0579 -4.0579 -4.0552 -4.0552 2.5093 2.5093 2.5693 2.5693 2.9680 2.9680 3.0137 3.0137 3.4254 3.4254 3.5075 3.5075 4.0889 4.0889 4.2238 4.2238 4.5216 4.5216 4.5480 4.5480 5.2643 5.2643 5.3897 5.3897 5.4607 5.4607 5.5265 5.5265 5.6362 5.6362 5.6567 5.6567 6.5620 6.5620 6.5902 6.5902 8.9049 8.9049 8.9904 8.9904 10.1656 10.1656 10.2670 10.2670 13.4951 13.4951 13.6234 13.6234 k = 0.4048 0.3730-0.0000 ( 4138 PWs) bands (ev): -6.5692 -6.5692 -6.5681 -6.5681 -4.0659 -4.0659 -4.0632 -4.0632 2.4742 2.4742 2.5293 2.5293 3.0008 3.0008 3.0449 3.0449 3.4478 3.4478 3.5245 3.5245 4.1191 4.1191 4.2444 4.2444 4.5473 4.5473 4.5828 4.5828 5.2675 5.2675 5.3926 5.3926 5.4608 5.4608 5.5278 5.5278 5.6452 5.6452 5.6646 5.6646 6.5596 6.5596 6.5879 6.5879 8.8845 8.8845 8.9708 8.9708 10.1713 10.1713 10.2725 10.2725 13.4913 13.4913 13.6186 13.6186 k = 0.3929 0.3730-0.0000 ( 4138 PWs) bands (ev): -6.5777 -6.5777 -6.5766 -6.5766 -4.0748 -4.0748 -4.0721 -4.0721 2.4375 2.4375 2.4878 2.4878 3.0348 3.0348 3.0774 3.0774 3.4750 3.4750 3.5462 3.5462 4.1487 4.1487 4.2637 4.2637 4.5771 4.5771 4.6221 4.6221 5.2711 5.2711 5.3957 5.3957 5.4609 5.4609 5.5292 5.5292 5.6560 5.6560 5.6745 5.6745 6.5570 6.5570 6.5854 6.5854 8.8628 8.8628 8.9499 8.9499 10.1765 10.1765 10.2776 10.2776 13.4878 13.4878 13.6141 13.6141 k = 0.3810 0.3730-0.0000 ( 4138 PWs) bands (ev): -6.5870 -6.5870 -6.5859 -6.5859 -4.0845 -4.0845 -4.0819 -4.0819 2.3993 2.3993 2.4451 2.4451 3.0700 3.0700 3.1110 3.1110 3.5068 3.5068 3.5728 3.5728 4.1772 4.1772 4.2818 4.2818 4.6108 4.6108 4.6650 4.6650 5.2752 5.2752 5.3988 5.3988 5.4611 5.4611 5.5307 5.5307 5.6687 5.6687 5.6865 5.6865 6.5544 6.5544 6.5829 6.5829 8.8400 8.8400 8.9280 8.9280 10.1809 10.1809 10.2818 10.2818 13.4847 13.4847 13.6100 13.6100 k = 0.3690 0.3730-0.0000 ( 4130 PWs) bands (ev): -6.5970 -6.5970 -6.5959 -6.5959 -4.0950 -4.0950 -4.0924 -4.0924 2.3599 2.3599 2.4014 2.4014 3.1063 3.1063 3.1459 3.1459 3.5430 3.5430 3.6042 3.6042 4.2041 4.2041 4.2988 4.2988 4.6483 4.6483 4.7106 4.7106 5.2798 5.2798 5.4020 5.4020 5.4614 5.4614 5.5323 5.5323 5.6837 5.6837 5.7009 5.7009 6.5517 6.5517 6.5806 6.5806 8.8165 8.8165 8.9054 8.9054 10.1843 10.1843 10.2849 10.2849 13.4821 13.4821 13.6065 13.6065 k = 0.3571 0.3730-0.0000 ( 4128 PWs) bands (ev): -6.6077 -6.6077 -6.6066 -6.6066 -4.1061 -4.1061 -4.1036 -4.1036 2.3196 2.3196 2.3571 2.3571 3.1437 3.1437 3.1821 3.1821 3.5832 3.5832 3.6402 3.6402 4.2293 4.2293 4.3147 4.3147 4.6888 4.6888 4.7578 4.7578 5.2850 5.2850 5.4050 5.4050 5.4620 5.4620 5.5341 5.5341 5.7009 5.7009 5.7180 5.7180 6.5492 6.5492 6.5785 6.5785 8.7925 8.7925 8.8825 8.8825 10.1864 10.1864 10.2867 10.2867 13.4800 13.4800 13.6034 13.6034 k = 0.3452 0.3730-0.0000 ( 4136 PWs) bands (ev): -6.6189 -6.6189 -6.6179 -6.6179 -4.1180 -4.1180 -4.1155 -4.1155 2.2786 2.2786 2.3125 2.3125 3.1821 3.1821 3.2195 3.2195 3.6271 3.6271 3.6806 3.6806 4.2530 4.2530 4.3299 4.3299 4.7317 4.7317 4.8057 4.8057 5.2908 5.2908 5.4081 5.4081 5.4627 5.4627 5.5360 5.5360 5.7206 5.7206 5.7380 5.7380 6.5470 6.5470 6.5768 6.5768 8.7683 8.7683 8.8594 8.8594 10.1869 10.1869 10.2870 10.2870 13.4784 13.4784 13.6008 13.6008 k = 0.3333 0.3730-0.0000 ( 4136 PWs) bands (ev): -6.6307 -6.6307 -6.6297 -6.6297 -4.1303 -4.1303 -4.1279 -4.1279 2.2373 2.2373 2.2677 2.2677 3.2215 3.2215 3.2580 3.2580 3.6743 3.6743 3.7249 3.7249 4.2752 4.2752 4.3444 4.3444 4.7762 4.7762 4.8529 4.8529 5.2974 5.2974 5.4112 5.4112 5.4640 5.4640 5.5383 5.5383 5.7429 5.7429 5.7614 5.7614 6.5454 6.5454 6.5758 6.5758 8.7441 8.7441 8.8363 8.8363 10.1857 10.1857 10.2855 10.2855 13.4770 13.4770 13.5983 13.5983 k = 0.3214 0.3730-0.0000 ( 4140 PWs) bands (ev): -6.6429 -6.6429 -6.6419 -6.6419 -4.1432 -4.1432 -4.1409 -4.1409 2.1957 2.1957 2.2231 2.2231 3.2617 3.2617 3.2976 3.2976 3.7244 3.7244 3.7726 3.7726 4.2964 4.2964 4.3586 4.3586 4.8213 4.8213 4.8986 4.8986 5.3048 5.3048 5.4144 5.4144 5.4656 5.4656 5.5409 5.5409 5.7680 5.7680 5.7886 5.7886 6.5446 6.5446 6.5758 6.5758 8.7201 8.7201 8.8136 8.8136 10.1826 10.1826 10.2820 10.2820 13.4753 13.4753 13.5955 13.5955 k = 0.3095 0.3730-0.0000 ( 4144 PWs) bands (ev): -6.6554 -6.6554 -6.6545 -6.6545 -4.1564 -4.1564 -4.1542 -4.1542 2.1543 2.1543 2.1789 2.1789 3.3027 3.3027 3.3380 3.3380 3.7767 3.7767 3.8234 3.8234 4.3168 4.3168 4.3725 4.3725 4.8660 4.8660 4.9417 4.9417 5.3132 5.3132 5.4178 5.4178 5.4678 5.4678 5.5440 5.5440 5.7960 5.7960 5.8196 5.8196 6.5450 6.5450 6.5772 6.5772 8.6964 8.6964 8.7911 8.7911 10.1775 10.1775 10.2764 10.2764 13.4726 13.4726 13.5914 13.5914 k = 0.2976 0.3730-0.0000 ( 4140 PWs) bands (ev): -6.6683 -6.6683 -6.6674 -6.6674 -4.1700 -4.1700 -4.1678 -4.1678 2.1131 2.1131 2.1353 2.1353 3.3442 3.3442 3.3792 3.3792 3.8307 3.8307 3.8765 3.8765 4.3369 4.3369 4.3866 4.3866 4.9095 4.9095 4.9812 4.9812 5.3228 5.3228 5.4214 5.4214 5.4707 5.4707 5.5477 5.5477 5.8269 5.8269 5.8547 5.8547 6.5471 6.5471 6.5803 6.5803 8.6731 8.6731 8.7691 8.7691 10.1702 10.1702 10.2686 10.2686 13.4679 13.4679 13.5847 13.5847 k = 0.2857 0.3730-0.0000 ( 4136 PWs) bands (ev): -6.6814 -6.6814 -6.6805 -6.6805 -4.1838 -4.1838 -4.1817 -4.1817 2.0724 2.0724 2.0924 2.0924 3.3862 3.3862 3.4209 3.4209 3.8858 3.8858 3.9313 3.9313 4.3571 4.3571 4.4009 4.4009 4.9506 4.9506 5.0163 5.0163 5.3336 5.3336 5.4255 5.4255 5.4745 5.4745 5.5521 5.5521 5.8608 5.8608 5.8938 5.8938 6.5515 6.5515 6.5858 6.5858 8.6502 8.6502 8.7477 8.7477 10.1605 10.1605 10.2585 10.2585 13.4595 13.4595 13.5737 13.5737 k = 0.2738 0.3730-0.0000 ( 4136 PWs) bands (ev): -6.6946 -6.6946 -6.6937 -6.6937 -4.1977 -4.1977 -4.1957 -4.1957 2.0325 2.0325 2.0504 2.0504 3.4285 3.4285 3.4629 3.4629 3.9411 3.9411 3.9869 3.9869 4.3781 4.3781 4.4158 4.4158 4.9887 4.9887 5.0467 5.0467 5.3455 5.3455 5.4300 5.4300 5.4792 5.4792 5.5571 5.5571 5.8975 5.8975 5.9364 5.9364 6.5590 6.5590 6.5942 6.5942 8.6278 8.6278 8.7267 8.7267 10.1485 10.1485 10.2459 10.2459 13.4456 13.4456 13.5560 13.5560 k = 0.2619 0.3730-0.0000 ( 4146 PWs) bands (ev): -6.7078 -6.7078 -6.7070 -6.7070 -4.2117 -4.2117 -4.2098 -4.2098 1.9933 1.9933 2.0095 2.0095 3.4709 3.4709 3.5051 3.5051 3.9955 3.9955 4.0425 4.0425 4.4005 4.4005 4.4319 4.4319 5.0229 5.0229 5.0720 5.0720 5.3585 5.3585 5.4348 5.4348 5.4850 5.4850 5.5630 5.5630 5.9367 5.9367 5.9820 5.9820 6.5706 6.5706 6.6063 6.6063 8.6059 8.6059 8.7061 8.7061 10.1339 10.1339 10.2308 10.2308 13.4237 13.4237 13.5289 13.5289 k = 0.2500 0.3730-0.0000 ( 4146 PWs) bands (ev): -6.7210 -6.7210 -6.7203 -6.7203 -4.2258 -4.2258 -4.2239 -4.2239 1.9552 1.9552 1.9697 1.9697 3.5133 3.5133 3.5472 3.5472 4.0478 4.0478 4.0966 4.0966 4.4251 4.4251 4.4499 4.4499 5.0528 5.0528 5.0927 5.0927 5.3721 5.3721 5.4399 5.4399 5.4923 5.4923 5.5696 5.5696 5.9782 5.9782 6.0294 6.0294 6.5877 6.5877 6.6230 6.6230 8.5843 8.5843 8.6860 8.6860 10.1169 10.1169 10.2131 10.2131 13.3914 13.3914 13.4900 13.4900 k = 0.2381 0.3730-0.0000 ( 4158 PWs) bands (ev): -6.7342 -6.7342 -6.7335 -6.7335 -4.2397 -4.2397 -4.2379 -4.2379 1.9181 1.9181 1.9312 1.9312 3.5555 3.5555 3.5892 3.5892 4.0968 4.0968 4.1478 4.1478 4.4527 4.4527 4.4705 4.4705 5.0783 5.0783 5.1091 5.1091 5.3860 5.3860 5.4448 5.4448 5.5009 5.5009 5.5769 5.5769 6.0212 6.0212 6.0774 6.0774 6.6115 6.6115 6.6452 6.6452 8.5630 8.5630 8.6661 8.6661 10.0971 10.0971 10.1927 10.1927 13.3470 13.3470 13.4379 13.4379 k = 0.2262 0.3730-0.0000 ( 4154 PWs) bands (ev): -6.7472 -6.7472 -6.7465 -6.7465 -4.2535 -4.2535 -4.2517 -4.2517 1.8823 1.8823 1.8941 1.8941 3.5975 3.5975 3.6308 3.6308 4.1409 4.1409 4.1945 4.1945 4.4843 4.4843 4.4949 4.4949 5.0996 5.0996 5.1220 5.1220 5.3999 5.3999 5.4496 5.4496 5.5108 5.5108 5.5850 5.5850 6.0653 6.0653 6.1245 6.1245 6.6435 6.6435 6.6738 6.6738 8.5418 8.5418 8.6464 8.6464 10.0747 10.0747 10.1696 10.1696 13.2897 13.2897 13.3727 13.3727 k = 0.2143 0.3730-0.0000 ( 4154 PWs) bands (ev): -6.7599 -6.7599 -6.7593 -6.7593 -4.2670 -4.2670 -4.2653 -4.2653 1.8479 1.8479 1.8585 1.8585 3.6391 3.6391 3.6719 3.6719 4.1793 4.1793 4.2350 4.2350 4.5201 4.5201 4.5238 4.5238 5.1171 5.1171 5.1321 5.1321 5.4132 5.4132 5.4541 5.4541 5.5217 5.5217 5.5937 5.5937 6.1098 6.1098 6.1696 6.1696 6.6849 6.6849 6.7095 6.7095 8.5207 8.5207 8.6266 8.6266 10.0496 10.0496 10.1436 10.1436 13.2201 13.2201 13.2957 13.2957 k = 0.2024 0.3730-0.0000 ( 4156 PWs) bands (ev): -6.7724 -6.7724 -6.7718 -6.7718 -4.2802 -4.2802 -4.2786 -4.2786 1.8149 1.8149 1.8245 1.8245 3.6801 3.6801 3.7124 3.7124 4.2114 4.2114 4.2684 4.2684 4.5574 4.5574 4.5598 4.5598 5.1316 5.1316 5.1402 5.1402 5.4257 5.4257 5.4582 5.4582 5.5330 5.5330 5.6026 5.6026 6.1543 6.1543 6.2121 6.2121 6.7361 6.7361 6.7529 6.7529 8.4993 8.4993 8.6067 8.6067 10.0217 10.0217 10.1148 10.1148 13.1398 13.1398 13.2089 13.2089 k = 0.1905 0.3730-0.0000 ( 4156 PWs) bands (ev): -6.7845 -6.7845 -6.7839 -6.7839 -4.2931 -4.2931 -4.2916 -4.2916 1.7834 1.7834 1.7920 1.7920 3.7204 3.7204 3.7522 3.7522 4.2375 4.2375 4.2946 4.2946 4.5949 4.5949 4.6023 4.6023 5.1438 5.1438 5.1470 5.1470 5.4373 5.4373 5.4619 5.4619 5.5442 5.5442 5.6117 5.6117 6.1986 6.1986 6.2522 6.2522 6.7969 6.7969 6.8042 6.8042 8.4776 8.4776 8.5863 8.5863 9.9911 9.9911 10.0831 10.0831 13.0511 13.0511 13.1147 13.1147 k = 0.1786 0.3730-0.0000 ( 4166 PWs) bands (ev): -6.7961 -6.7961 -6.7956 -6.7956 -4.3055 -4.3055 -4.3041 -4.3041 1.7535 1.7535 1.7613 1.7613 3.7599 3.7599 3.7912 3.7912 4.2583 4.2583 4.3145 4.3145 4.6346 4.6346 4.6458 4.6458 5.1533 5.1533 5.1548 5.1548 5.4478 5.4478 5.4654 5.4654 5.5547 5.5547 5.6205 5.6205 6.2427 6.2427 6.2907 6.2907 6.8629 6.8629 6.8663 6.8663 8.4553 8.4553 8.5653 8.5653 9.9577 9.9577 10.0484 10.0484 12.9562 12.9562 13.0153 13.0153 k = 0.1667 0.3730-0.0000 ( 4166 PWs) bands (ev): -6.8073 -6.8073 -6.8068 -6.8068 -4.3174 -4.3174 -4.3160 -4.3160 1.7253 1.7253 1.7323 1.7323 3.7986 3.7986 3.8292 3.8292 4.2745 4.2745 4.3291 4.3291 4.6745 4.6745 4.6887 4.6887 5.1597 5.1597 5.1654 5.1654 5.4573 5.4573 5.4685 5.4685 5.5643 5.5643 5.6288 5.6288 6.2873 6.2873 6.3289 6.3289 6.9284 6.9284 6.9430 6.9430 8.4323 8.4323 8.5434 8.5434 9.9216 9.9216 10.0109 10.0109 12.8576 12.8576 12.9128 12.9128 k = 0.1548 0.3730-0.0000 ( 4174 PWs) bands (ev): -6.8180 -6.8180 -6.8175 -6.8175 -4.3287 -4.3287 -4.3275 -4.3275 1.6988 1.6988 1.7050 1.7050 3.8363 3.8363 3.8662 3.8662 4.2871 4.2871 4.3396 4.3396 4.7125 4.7125 4.7289 4.7289 5.1668 5.1668 5.1764 5.1764 5.4657 5.4657 5.4714 5.4714 5.5727 5.5727 5.6361 5.6361 6.3327 6.3327 6.3680 6.3680 6.9997 6.9997 7.0253 7.0253 8.4082 8.4082 8.5204 8.5204 9.8829 9.8829 9.9705 9.9705 12.7573 12.7573 12.8092 12.8092 k = 0.1429 0.3730-0.0000 ( 4174 PWs) bands (ev): -6.8280 -6.8280 -6.8276 -6.8276 -4.3394 -4.3394 -4.3383 -4.3383 1.6741 1.6741 1.6797 1.6797 3.8729 3.8729 3.9021 3.9021 4.2968 4.2968 4.3469 4.3469 4.7472 4.7472 4.7650 4.7650 5.1751 5.1751 5.1887 5.1887 5.4732 5.4732 5.4740 5.4740 5.5797 5.5797 5.6423 5.6423 6.3796 6.3796 6.4091 6.4091 7.0755 7.0755 7.1117 7.1117 8.3831 8.3831 8.4962 8.4962 9.8418 9.8418 9.9274 9.9274 12.6573 12.6573 12.7062 12.7062 k = 0.1310 0.3730-0.0000 ( 4162 PWs) bands (ev): -6.8375 -6.8375 -6.8371 -6.8371 -4.3495 -4.3495 -4.3484 -4.3484 1.6513 1.6513 1.6562 1.6562 3.9083 3.9083 3.9368 3.9368 4.3039 4.3039 4.3516 4.3516 4.7773 4.7773 4.7958 4.7958 5.1850 5.1850 5.2026 5.2026 5.4765 5.4765 5.4798 5.4798 5.5854 5.5854 5.6471 5.6471 6.4282 6.4282 6.4529 6.4529 7.1547 7.1547 7.2006 7.2006 8.3568 8.3568 8.4705 8.4705 9.7987 9.7987 9.8818 9.8818 12.5594 12.5594 12.6054 12.6054 k = 0.1190 0.3730-0.0000 ( 4154 PWs) bands (ev): -6.8462 -6.8462 -6.8459 -6.8459 -4.3588 -4.3588 -4.3578 -4.3578 1.6303 1.6303 1.6346 1.6346 3.9424 3.9424 3.9701 3.9701 4.3090 4.3090 4.3541 4.3541 4.8024 4.8024 4.8208 4.8208 5.1966 5.1966 5.2182 5.2182 5.4787 5.4787 5.4854 5.4854 5.5900 5.5900 5.6504 5.6504 6.4787 6.4787 6.4994 6.4994 7.2358 7.2358 7.2907 7.2907 8.3292 8.3292 8.4434 8.4434 9.7539 9.7539 9.8340 9.8340 12.4650 12.4650 12.5081 12.5081 k = 0.1071 0.3730-0.0000 ( 4154 PWs) bands (ev): -6.8543 -6.8543 -6.8539 -6.8539 -4.3674 -4.3674 -4.3665 -4.3665 1.6112 1.6112 1.6150 1.6150 3.9750 3.9750 4.0019 4.0019 4.3123 4.3123 4.3547 4.3547 4.8224 4.8224 4.8398 4.8398 5.2098 5.2098 5.2351 5.2351 5.4807 5.4807 5.4901 5.4901 5.5935 5.5935 5.6521 5.6521 6.5307 6.5307 6.5483 6.5483 7.3175 7.3175 7.3805 7.3805 8.3005 8.3005 8.4148 8.4148 9.7080 9.7080 9.7845 9.7845 12.3758 12.3758 12.4158 12.4158 k = 0.0952 0.3730-0.0000 ( 4154 PWs) bands (ev): -6.8616 -6.8616 -6.8613 -6.8613 -4.3751 -4.3751 -4.3744 -4.3744 1.5940 1.5940 1.5973 1.5973 4.0060 4.0060 4.0319 4.0319 4.3140 4.3140 4.3538 4.3538 4.8375 4.8375 4.8536 4.8536 5.2241 5.2241 5.2526 5.2526 5.4825 5.4825 5.4940 5.4940 5.5963 5.5963 5.6523 5.6523 6.5837 6.5837 6.5989 6.5989 7.3984 7.3984 7.4685 7.4685 8.2709 8.2709 8.3848 8.3848 9.6617 9.6617 9.7339 9.7339 12.2928 12.2928 12.3296 12.3296 k = 0.0833 0.3730-0.0000 ( 4156 PWs) bands (ev): -6.8681 -6.8681 -6.8678 -6.8678 -4.3821 -4.3821 -4.3814 -4.3814 1.5789 1.5789 1.5817 1.5817 4.0351 4.0351 4.0600 4.0600 4.3144 4.3144 4.3513 4.3513 4.8485 4.8485 4.8629 4.8629 5.2390 5.2390 5.2696 5.2696 5.4842 5.4842 5.4970 5.4970 5.5987 5.5987 5.6510 5.6510 6.6368 6.6368 6.6502 6.6502 7.4772 7.4772 7.5532 7.5532 8.2408 8.2408 8.3537 8.3537 9.6161 9.6161 9.6832 9.6832 12.2174 12.2174 12.2507 12.2507 k = 0.0714 0.3730-0.0000 ( 4160 PWs) bands (ev): -6.8738 -6.8738 -6.8736 -6.8736 -4.3881 -4.3881 -4.3876 -4.3876 1.5657 1.5657 1.5681 1.5681 4.0623 4.0623 4.0858 4.0858 4.3136 4.3136 4.3476 4.3476 4.8561 4.8561 4.8686 4.8686 5.2540 5.2540 5.2852 5.2852 5.4859 5.4859 5.4993 5.4993 5.6009 5.6009 5.6486 5.6486 6.6886 6.6886 6.7005 6.7005 7.5524 7.5524 7.6328 7.6328 8.2111 8.2111 8.3219 8.3219 9.5724 9.5724 9.6332 9.6332 12.1504 12.1504 12.1798 12.1798 k = 0.0595 0.3730-0.0000 ( 4160 PWs) bands (ev): -6.8786 -6.8786 -6.8784 -6.8784 -4.3933 -4.3933 -4.3928 -4.3928 1.5545 1.5545 1.5565 1.5565 4.0872 4.0872 4.1090 4.1090 4.3121 4.3121 4.3426 4.3426 4.8613 4.8613 4.8717 4.8717 5.2685 5.2685 5.2987 5.2987 5.4876 5.4876 5.5007 5.5007 5.6032 5.6032 5.6452 5.6452 6.7377 6.7377 6.7482 6.7482 7.6225 7.6225 7.7051 7.7051 8.1830 8.1830 8.2898 8.2898 9.5319 9.5319 9.5854 9.5854 12.0927 12.0927 12.1179 12.1179 k = 0.0476 0.3730-0.0000 ( 4156 PWs) bands (ev): -6.8826 -6.8826 -6.8825 -6.8825 -4.3976 -4.3976 -4.3972 -4.3972 1.5454 1.5454 1.5470 1.5470 4.1095 4.1095 4.1291 4.1291 4.3102 4.3102 4.3368 4.3368 4.8646 4.8646 4.8729 4.8729 5.2820 5.2820 5.3092 5.3092 5.4894 5.4894 5.5014 5.5014 5.6058 5.6058 5.6410 5.6410 6.7823 6.7823 6.7912 6.7912 7.6862 7.6862 7.7673 7.7673 8.1584 8.1584 8.2581 8.2581 9.4964 9.4964 9.5414 9.5414 12.0451 12.0451 12.0658 12.0658 k = 0.0357 0.3730-0.0000 ( 4156 PWs) bands (ev): -6.8858 -6.8858 -6.8856 -6.8856 -4.4009 -4.4009 -4.4006 -4.4006 1.5383 1.5383 1.5395 1.5395 4.1288 4.1288 4.1452 4.1452 4.3085 4.3085 4.3302 4.3302 4.8668 4.8668 4.8730 4.8730 5.2941 5.2941 5.3165 5.3165 5.4915 5.4915 5.5014 5.5014 5.6089 5.6089 5.6363 5.6363 6.8202 6.8202 6.8274 6.8274 7.7421 7.7421 7.8160 7.8160 8.1402 8.1402 8.2275 8.2275 9.4677 9.4677 9.5029 9.5029 12.0081 12.0081 12.0239 12.0239 k = 0.0238 0.3730-0.0000 ( 4164 PWs) bands (ev): -6.8880 -6.8880 -6.8879 -6.8879 -4.4032 -4.4032 -4.4031 -4.4031 1.5333 1.5333 1.5341 1.5341 4.1444 4.1444 4.1566 4.1566 4.3078 4.3078 4.3235 4.3235 4.8682 4.8682 4.8724 4.8724 5.3043 5.3043 5.3203 5.3203 5.4936 5.4936 5.5007 5.5007 5.6124 5.6124 5.6312 5.6312 6.8496 6.8496 6.8546 6.8546 7.7889 7.7889 7.8471 7.8471 8.1318 8.1318 8.1986 8.1986 9.4475 9.4475 9.4717 9.4717 11.9822 11.9822 11.9929 11.9929 k = 0.0119 0.3730-0.0000 ( 4160 PWs) bands (ev): -6.8893 -6.8893 -6.8893 -6.8893 -4.4046 -4.4046 -4.4046 -4.4046 1.5304 1.5304 1.5308 1.5308 4.1558 4.1558 4.1623 4.1623 4.3089 4.3089 4.3172 4.3172 4.8694 4.8694 4.8715 4.8715 5.3124 5.3124 5.3207 5.3207 5.4957 5.4957 5.4995 5.4995 5.6166 5.6166 5.6262 5.6262 6.8686 6.8686 6.8712 6.8712 7.8254 7.8254 7.8579 7.8579 8.1356 8.1356 8.1723 8.1723 9.4373 9.4373 9.4496 9.4496 11.9676 11.9676 11.9730 11.9730 k = 0.0000 0.3730-0.0000 ( 4172 PWs) bands (ev): -6.8898 -6.8898 -6.8898 -6.8898 -4.4051 -4.4051 -4.4051 -4.4051 1.5296 1.5296 1.5296 1.5296 4.1620 4.1620 4.1620 4.1620 4.3121 4.3121 4.3121 4.3121 4.8705 4.8705 4.8705 4.8705 5.3179 5.3179 5.3179 5.3179 5.4977 5.4977 5.4977 5.4977 5.6212 5.6212 5.6212 5.6212 6.8760 6.8760 6.8760 6.8760 7.8494 7.8494 7.8494 7.8494 8.1503 8.1503 8.1503 8.1503 9.4379 9.4379 9.4379 9.4379 11.9646 11.9646 11.9646 11.9646 k = 0.0000 0.3730-0.0000 ( 4172 PWs) bands (ev): -6.8898 -6.8898 -6.8898 -6.8898 -4.4051 -4.4051 -4.4051 -4.4051 1.5296 1.5296 1.5296 1.5296 4.1620 4.1620 4.1620 4.1620 4.3121 4.3121 4.3121 4.3121 4.8705 4.8705 4.8705 4.8705 5.3179 5.3179 5.3179 5.3179 5.4977 5.4977 5.4977 5.4977 5.6212 5.6212 5.6212 5.6212 6.8760 6.8760 6.8760 6.8760 7.8494 7.8494 7.8494 7.8494 8.1503 8.1503 8.1503 8.1503 9.4379 9.4379 9.4379 9.4379 11.9646 11.9646 11.9646 11.9646 k = 0.0000 0.3613-0.0000 ( 4168 PWs) bands (ev): -6.9261 -6.9261 -6.8541 -6.8541 -4.4079 -4.4079 -4.4004 -4.4004 1.5100 1.5100 1.5528 1.5528 4.1556 4.1556 4.1689 4.1689 4.2720 4.2720 4.3387 4.3387 4.8232 4.8232 4.9251 4.9251 5.3107 5.3107 5.3250 5.3250 5.4904 5.4904 5.5052 5.5052 5.6121 5.6121 5.6294 5.6294 6.7905 6.7905 6.9626 6.9626 7.7909 7.7909 7.9073 7.9073 8.0933 8.0933 8.2047 8.2047 9.4033 9.4033 9.4733 9.4733 11.9245 11.9245 12.0106 12.0106 k = 0.0000 0.3497-0.0000 ( 4158 PWs) bands (ev): -6.9629 -6.9629 -6.8192 -6.8192 -4.4088 -4.4088 -4.3941 -4.3941 1.4944 1.4944 1.5797 1.5797 4.1502 4.1502 4.1735 4.1735 4.2200 4.2200 4.3545 4.3545 4.7861 4.7861 4.9834 4.9834 5.3032 5.3032 5.3318 5.3318 5.4833 5.4833 5.5131 5.5131 5.6021 5.6021 5.6371 5.6371 6.7064 6.7064 7.0501 7.0501 7.7319 7.7319 7.9644 7.9644 8.0339 8.0339 8.2568 8.2568 9.3700 9.3700 9.5090 9.5090 11.8915 11.8915 12.0610 12.0610 k = 0.0000 0.3380-0.0000 ( 4166 PWs) bands (ev): -7.0001 -7.0001 -6.7853 -6.7853 -4.4074 -4.4074 -4.3864 -4.3864 1.4827 1.4827 1.6100 1.6100 4.1348 4.1348 4.1463 4.1463 4.1963 4.1963 4.3620 4.3620 4.7596 4.7596 5.0416 5.0416 5.2955 5.2955 5.3384 5.3384 5.4762 5.4762 5.5210 5.5210 5.5910 5.5910 5.6440 5.6440 6.6237 6.6237 7.1383 7.1383 7.6726 7.6726 7.9719 7.9719 8.0206 8.0206 8.3069 8.3069 9.3385 9.3385 9.5444 9.5444 11.8666 11.8666 12.1142 12.1142 k = 0.0000 0.3264-0.0000 ( 4166 PWs) bands (ev): -7.0373 -7.0373 -6.7526 -6.7526 -4.4037 -4.4037 -4.3773 -4.3773 1.4750 1.4750 1.6437 1.6437 4.0529 4.0529 4.1429 4.1429 4.2042 4.2042 4.3637 4.3637 4.7427 4.7427 5.0966 5.0966 5.2875 5.2875 5.3447 5.3447 5.4691 5.4691 5.5290 5.5290 5.5786 5.5786 5.6504 5.6504 6.5426 6.5426 7.2263 7.2263 7.6136 7.6136 7.9079 7.9079 8.0759 8.0759 8.3555 8.3555 9.3094 9.3094 9.5793 9.5793 11.8506 11.8506 12.1681 12.1681 k = 0.0000 0.3147-0.0000 ( 4168 PWs) bands (ev): -7.0745 -7.0745 -6.7213 -6.7213 -4.3975 -4.3975 -4.3673 -4.3673 1.4715 1.4715 1.6806 1.6806 3.9576 3.9576 4.1411 4.1411 4.2156 4.2156 4.3613 4.3613 4.7333 4.7333 5.1461 5.1461 5.2792 5.2792 5.3507 5.3507 5.4617 5.4617 5.5358 5.5358 5.5656 5.5656 5.6563 5.6563 6.4633 6.4633 7.3126 7.3126 7.5565 7.5565 7.8422 7.8422 8.1302 8.1302 8.4034 8.4034 9.2831 9.2831 9.6134 9.6134 11.8437 11.8437 12.2208 12.2208 k = 0.0000 0.3031-0.0000 ( 4162 PWs) bands (ev): -7.1114 -7.1114 -6.6914 -6.6914 -4.3886 -4.3886 -4.3564 -4.3564 1.4723 1.4723 1.7204 1.7204 3.8539 3.8539 4.1406 4.1406 4.2284 4.2284 4.3560 4.3560 4.7294 4.7294 5.1889 5.1889 5.2707 5.2707 5.3564 5.3564 5.4540 5.4540 5.5361 5.5361 5.5569 5.5569 5.6617 5.6617 6.3858 6.3858 7.3879 7.3879 7.5096 7.5096 7.7758 7.7758 8.1836 8.1836 8.4512 8.4512 9.2602 9.2602 9.6463 9.6463 11.8462 11.8462 12.2701 12.2701 k = 0.0000 0.2914-0.0000 ( 4154 PWs) bands (ev): -7.1480 -7.1480 -6.6632 -6.6632 -4.3771 -4.3771 -4.3447 -4.3447 1.4773 1.4773 1.7632 1.7632 3.7445 3.7445 4.1413 4.1413 4.2424 4.2424 4.3486 4.3486 4.7292 4.7292 5.2239 5.2239 5.2621 5.2621 5.3615 5.3615 5.4454 5.4454 5.5225 5.5225 5.5595 5.5595 5.6665 5.6665 6.3104 6.3104 7.3995 7.3995 7.5232 7.5232 7.7117 7.7117 8.2358 8.2358 8.5000 8.5000 9.2409 9.2409 9.6779 9.6779 11.8580 11.8580 12.3137 12.3137 k = 0.0000 0.2797-0.0000 ( 4158 PWs) bands (ev): -7.1841 -7.1841 -6.6367 -6.6367 -4.3629 -4.3629 -4.3325 -4.3325 1.4867 1.4867 1.8086 1.8086 3.6310 3.6310 4.1431 4.1431 4.2572 4.2572 4.3398 4.3398 4.7316 4.7316 5.2464 5.2464 5.2575 5.2575 5.3659 5.3659 5.4351 5.4351 5.5034 5.5034 5.5651 5.5651 5.6706 5.6706 6.2371 6.2371 7.3515 7.3515 7.5717 7.5717 7.6715 7.6715 8.2867 8.2867 8.5505 8.5505 9.2257 9.2257 9.7079 9.7079 11.8788 11.8788 12.3494 12.3494 k = 0.0000 0.2681-0.0000 ( 4150 PWs) bands (ev): -7.2196 -7.2196 -6.6121 -6.6121 -4.3459 -4.3459 -4.3200 -4.3200 1.5005 1.5005 1.8566 1.8566 3.5150 3.5150 4.1464 4.1464 4.2728 4.2728 4.3300 4.3300 4.7357 4.7357 5.2405 5.2405 5.2719 5.2719 5.3691 5.3691 5.4227 5.4227 5.4838 5.4838 5.5702 5.5702 5.6740 5.6740 6.1662 6.1662 7.2940 7.2940 7.5397 7.5397 7.7210 7.7210 8.3362 8.3362 8.6033 8.6033 9.2148 9.2148 9.7364 9.7364 11.9079 11.9079 12.3751 12.3751 k = 0.0000 0.2564-0.0000 ( 4156 PWs) bands (ev): -7.2543 -7.2543 -6.5893 -6.5893 -4.3261 -4.3261 -4.3072 -4.3072 1.5188 1.5188 1.9068 1.9068 3.3976 3.3976 4.1508 4.1508 4.2889 4.2889 4.3199 4.3199 4.7408 4.7408 5.2299 5.2299 5.2786 5.2786 5.3704 5.3704 5.4089 5.4089 5.4669 5.4669 5.5741 5.5741 5.6763 5.6763 6.0979 6.0979 7.2347 7.2347 7.4744 7.4744 7.8056 7.8056 8.3840 8.3840 8.6585 8.6585 9.2091 9.2091 9.7631 9.7631 11.9448 11.9448 12.3890 12.3890 k = 0.0000 0.2448-0.0000 ( 4156 PWs) bands (ev): -7.2881 -7.2881 -6.5685 -6.5685 -4.3037 -4.3037 -4.2944 -4.2944 1.5415 1.5415 1.9590 1.9590 3.2798 3.2798 4.1566 4.1566 4.3023 4.3023 4.3128 4.3128 4.7467 4.7467 5.2178 5.2178 5.2680 5.2680 5.3699 5.3699 5.3989 5.3989 5.4538 5.4538 5.5765 5.5765 5.6774 5.6774 6.0325 6.0325 7.1751 7.1751 7.4044 7.4044 7.8955 7.8955 8.4299 8.4299 8.7156 8.7156 9.2095 9.2095 9.7879 9.7879 11.9885 11.9885 12.3898 12.3898 k = 0.0000 0.2331-0.0000 ( 4160 PWs) bands (ev): -7.3209 -7.3209 -6.5496 -6.5496 -4.2816 -4.2816 -4.2788 -4.2788 1.5686 1.5686 2.0131 2.0131 3.1624 3.1624 4.1636 4.1636 4.2958 4.2958 4.3258 4.3258 4.7527 4.7527 5.2023 5.2023 5.2378 5.2378 5.3708 5.3708 5.3951 5.3951 5.4438 5.4438 5.5776 5.5776 5.6770 5.6770 5.9704 5.9704 7.1159 7.1159 7.3335 7.3335 7.9867 7.9867 8.4736 8.4736 8.7728 8.7728 9.2179 9.2179 9.8109 9.8109 12.0379 12.0379 12.3776 12.3776 k = 0.0000 0.2215-0.0000 ( 4152 PWs) bands (ev): -7.3527 -7.3527 -6.5325 -6.5325 -4.2689 -4.2689 -4.2516 -4.2516 1.6003 1.6003 2.0687 2.0687 3.0461 3.0461 4.1719 4.1719 4.2850 4.2850 4.3438 4.3438 4.7588 4.7588 5.1703 5.1703 5.2046 5.2046 5.3740 5.3740 5.3944 5.3944 5.4359 5.4359 5.5775 5.5775 5.6746 5.6746 5.9123 5.9123 7.0573 7.0573 7.2630 7.2630 8.0780 8.0780 8.5149 8.5149 8.8273 8.8273 9.2370 9.2370 9.8321 9.8321 12.0915 12.0915 12.3539 12.3539 k = 0.0000 0.2098-0.0000 ( 4154 PWs) bands (ev): -7.3833 -7.3833 -6.5174 -6.5174 -4.2565 -4.2565 -4.2222 -4.2222 1.6363 1.6363 2.1253 2.1253 2.9317 2.9317 4.1812 4.1812 4.2741 4.2741 4.3625 4.3625 4.7645 4.7645 5.1107 5.1107 5.1849 5.1849 5.3779 5.3779 5.3945 5.3945 5.4293 5.4293 5.5764 5.5764 5.6696 5.6696 5.8590 5.8590 6.9996 6.9996 7.1934 7.1934 8.1689 8.1689 8.5539 8.5539 8.8753 8.8753 9.2702 9.2702 9.8514 9.8514 12.1473 12.1473 12.3218 12.3218 k = 0.0000 0.1982-0.0000 ( 4156 PWs) bands (ev): -7.4127 -7.4127 -6.5039 -6.5039 -4.2444 -4.2444 -4.1910 -4.1910 1.6767 1.6767 2.1826 2.1826 2.8200 2.8200 4.1913 4.1913 4.2635 4.2635 4.3815 4.3815 4.7697 4.7697 5.0376 5.0376 5.1676 5.1676 5.3808 5.3808 5.3951 5.3951 5.4236 5.4236 5.5745 5.5745 5.6610 5.6610 5.8119 5.8119 6.9432 6.9432 7.1253 7.1253 8.2588 8.2588 8.5904 8.5904 8.9136 8.9136 9.3198 9.3198 9.8689 9.8689 12.2014 12.2014 12.2860 12.2860 k = 0.0000 0.1865-0.0000 ( 4156 PWs) bands (ev): -7.4407 -7.4407 -6.4922 -6.4922 -4.2327 -4.2327 -4.1582 -4.1582 1.7214 1.7214 2.2397 2.2397 2.7122 2.7122 4.2016 4.2016 4.2540 4.2540 4.4007 4.4007 4.7738 4.7738 4.9567 4.9567 5.1494 5.1494 5.3813 5.3813 5.3967 5.3967 5.4189 5.4189 5.5718 5.5718 5.6472 5.6472 5.7729 5.7729 6.8883 6.8883 7.0591 7.0591 8.3473 8.3473 8.6245 8.6245 8.9413 8.9413 9.3859 9.3859 9.8849 9.8849 12.2236 12.2236 12.2768 12.2768 k = 0.0000 0.1748-0.0000 ( 4165 PWs) bands (ev): -7.4673 -7.4673 -6.4821 -6.4821 -4.2216 -4.2216 -4.1242 -4.1242 1.7703 1.7703 2.2945 2.2945 2.6104 2.6104 4.2095 4.2095 4.2479 4.2479 4.4200 4.4200 4.7744 4.7744 4.8723 4.8723 5.1295 5.1295 5.3790 5.3790 5.3989 5.3989 5.4150 5.4150 5.5683 5.5683 5.6275 5.6275 5.7431 5.7431 6.8352 6.8352 6.9953 6.9953 8.4340 8.4340 8.6564 8.6564 8.9602 8.9602 9.4657 9.4657 9.8996 9.8996 12.1880 12.1880 12.3191 12.3191 k = 0.0000 0.1632-0.0000 ( 4157 PWs) bands (ev): -7.4925 -7.4925 -6.4733 -6.4733 -4.2110 -4.2110 -4.0894 -4.0894 1.8232 1.8232 2.3396 2.3396 2.5223 2.5223 4.2101 4.2101 4.2500 4.2500 4.4393 4.4393 4.7505 4.7505 4.8071 4.8071 5.1076 5.1076 5.3748 5.3748 5.4008 5.4008 5.4123 5.4123 5.5635 5.5635 5.6039 5.6039 5.7220 5.7220 6.7843 6.7843 6.9342 6.9342 8.5180 8.5180 8.6862 8.6862 8.9727 8.9727 9.5552 9.5552 9.9139 9.9139 12.1453 12.1453 12.3601 12.3601 k = 0.0000 0.1515-0.0000 ( 4157 PWs) bands (ev): -7.5162 -7.5162 -6.4659 -6.4659 -4.2009 -4.2009 -4.0541 -4.0541 1.8800 1.8800 2.3402 2.3402 2.4828 2.4828 4.2025 4.2025 4.2606 4.2606 4.4583 4.4583 4.6686 4.6686 4.7960 4.7960 5.0836 5.0836 5.3689 5.3689 5.4008 5.4008 5.4115 5.4115 5.5547 5.5547 5.5821 5.5821 5.7066 5.7066 6.7358 6.7358 6.8761 6.8761 8.5985 8.5985 8.7145 8.7145 8.9812 8.9812 9.6499 9.6499 9.9293 9.9293 12.1027 12.1027 12.3897 12.3897 k = 0.0000 0.1399-0.0000 ( 4155 PWs) bands (ev): -7.5383 -7.5383 -6.4597 -6.4597 -4.1915 -4.1915 -4.0189 -4.0189 1.9403 1.9403 2.2760 2.2760 2.5126 2.5126 4.1901 4.1901 4.2749 4.2749 4.4766 4.4766 4.5750 4.5750 4.7956 4.7956 5.0575 5.0575 5.3616 5.3616 5.3985 5.3985 5.4126 5.4126 5.5377 5.5377 5.5694 5.5694 5.6944 5.6944 6.6900 6.6900 6.8214 6.8214 8.6726 8.6726 8.7435 8.7435 8.9873 8.9873 9.7432 9.7432 9.9503 9.9503 12.0618 12.0618 12.4040 12.4040 k = 0.0000 0.1282-0.0000 ( 4151 PWs) bands (ev): -7.5588 -7.5588 -6.4546 -6.4546 -4.1828 -4.1828 -3.9841 -3.9841 2.0032 2.0032 2.1965 2.1965 2.5626 2.5626 4.1730 4.1730 4.2896 4.2896 4.4778 4.4778 4.4999 4.4999 4.7955 4.7955 5.0295 5.0295 5.3531 5.3531 5.3949 5.3949 5.4143 5.4143 5.5169 5.5169 5.5631 5.5631 5.6840 5.6840 6.6473 6.6473 6.7704 6.7704 8.7303 8.7303 8.7826 8.7826 8.9924 8.9924 9.8217 9.8217 9.9884 9.9884 12.0232 12.0232 12.4007 12.4007 k = 0.0000 0.1166-0.0000 ( 4145 PWs) bands (ev): -7.5776 -7.5776 -6.4503 -6.4503 -4.1748 -4.1748 -3.9503 -3.9503 2.0618 2.0618 2.1253 2.1253 2.6159 2.6159 4.1473 4.1473 4.2985 4.2985 4.4037 4.4037 4.5139 4.5139 4.7945 4.7945 5.0003 5.0003 5.3434 5.3434 5.3906 5.3906 5.4159 5.4159 5.4978 5.4978 5.5587 5.5587 5.6747 5.6747 6.6080 6.6080 6.7232 6.7232 8.7624 8.7624 8.8397 8.8397 8.9977 8.9977 9.8691 9.8691 10.0587 10.0587 11.9874 11.9874 12.3799 12.3799 k = 0.0000 0.1049-0.0000 ( 4133 PWs) bands (ev): -7.5948 -7.5948 -6.4469 -6.4469 -4.1676 -4.1676 -3.9178 -3.9178 2.0319 2.0319 2.1500 2.1500 2.6688 2.6688 4.1045 4.1045 4.2816 4.2816 4.3701 4.3701 4.5303 4.5303 4.7917 4.7917 4.9705 4.9705 5.3327 5.3327 5.3859 5.3859 5.4172 5.4172 5.4817 5.4817 5.5551 5.5551 5.6663 5.6663 6.5721 6.5721 6.6801 6.6801 8.7829 8.7829 8.8989 8.8989 9.0051 9.0051 9.8910 9.8910 10.1543 10.1543 11.9546 11.9546 12.3433 12.3433 k = 0.0000 0.0932-0.0000 ( 4125 PWs) bands (ev): -7.6102 -7.6102 -6.4442 -6.4442 -4.1610 -4.1610 -3.8872 -3.8872 1.9652 1.9652 2.2195 2.2195 2.7197 2.7197 4.0377 4.0377 4.2486 4.2486 4.3786 4.3786 4.5457 4.5457 4.7866 4.7866 4.9412 4.9412 5.3211 5.3211 5.3809 5.3809 5.4178 5.4178 5.4691 5.4691 5.5521 5.5521 5.6587 5.6587 6.5398 6.5398 6.6412 6.6412 8.7988 8.7988 8.9475 8.9475 9.0203 9.0203 9.9016 9.9016 10.2601 10.2601 11.9251 11.9251 12.2936 12.2936 k = 0.0000 0.0816-0.0000 ( 4131 PWs) bands (ev): -7.6239 -7.6239 -6.4420 -6.4420 -4.1552 -4.1552 -3.8590 -3.8590 1.9030 1.9030 2.2928 2.2928 2.7677 2.7677 3.9529 3.9529 4.2255 4.2255 4.3986 4.3986 4.5600 4.5600 4.7779 4.7779 4.9139 4.9139 5.3089 5.3089 5.3758 5.3758 5.4175 5.4175 5.4597 5.4597 5.5493 5.5493 5.6520 5.6520 6.5111 6.5111 6.6068 6.6068 8.8116 8.8116 8.9746 8.9746 9.0521 9.0521 9.9073 9.9073 10.3684 10.3684 11.8989 11.8989 12.2341 12.2341 k = 0.0000 0.0699-0.0000 ( 4143 PWs) bands (ev): -7.6358 -7.6358 -6.4404 -6.4404 -4.1502 -4.1502 -3.8334 -3.8334 1.8476 1.8476 2.3670 2.3670 2.8119 2.8119 3.8604 3.8604 4.2108 4.2108 4.4222 4.4222 4.5728 4.5728 4.7647 4.7647 4.8903 4.8903 5.2965 5.2965 5.3709 5.3709 5.4166 5.4166 5.4533 5.4533 5.5470 5.5470 5.6461 5.6461 6.4861 6.4861 6.5770 6.5770 8.8219 8.8219 8.9859 8.9859 9.0937 9.0937 9.9104 9.9104 10.4756 10.4756 11.8760 11.8760 12.1681 12.1681 k = 0.0000 0.0583-0.0000 ( 4139 PWs) bands (ev): -7.6459 -7.6459 -6.4391 -6.4391 -4.1459 -4.1459 -3.8111 -3.8111 1.7998 1.7998 2.4403 2.4403 2.8519 2.8519 3.7672 3.7672 4.2010 4.2010 4.4479 4.4479 4.5841 4.5841 4.7460 4.7460 4.8717 4.8717 5.2846 5.2846 5.3664 5.3664 5.4152 5.4152 5.4493 5.4493 5.5452 5.5452 5.6412 5.6412 6.4648 6.4648 6.5520 6.5520 8.8302 8.8302 8.9916 8.9916 9.1343 9.1343 9.9121 9.9121 10.5785 10.5785 11.8565 11.8565 12.0989 12.0989 k = 0.0000 0.0466-0.0000 ( 4145 PWs) bands (ev): -7.6542 -7.6542 -6.4382 -6.4382 -4.1424 -4.1424 -3.7922 -3.7922 1.7600 1.7600 2.5104 2.5104 2.8869 2.8869 3.6782 3.6782 4.1941 4.1941 4.4748 4.4748 4.5935 4.5935 4.7224 4.7224 4.8582 4.8582 5.2737 5.2737 5.3625 5.3625 5.4136 5.4136 5.4469 5.4469 5.5437 5.5437 5.6372 5.6372 6.4471 6.4471 6.5317 6.5317 8.8365 8.8365 8.9954 8.9954 9.1695 9.1695 9.9130 9.9130 10.6741 10.6741 11.8403 11.8403 12.0304 12.0304 k = 0.0000 0.0350-0.0000 ( 4143 PWs) bands (ev): -7.6607 -7.6607 -6.4375 -6.4375 -4.1397 -4.1397 -3.7772 -3.7772 1.7287 1.7287 2.5740 2.5740 2.9164 2.9164 3.5977 3.5977 4.1892 4.1892 4.5025 4.5025 4.6012 4.6012 4.6954 4.6954 4.8490 4.8490 5.2646 5.2646 5.3594 5.3594 5.4121 5.4121 5.4455 5.4455 5.5427 5.5427 5.6343 5.6343 6.4332 6.4332 6.5160 6.5160 8.8413 8.8413 8.9980 8.9980 9.1979 9.1979 9.9134 9.9134 10.7584 10.7584 11.8272 11.8272 11.9673 11.9673 k = 0.0000 0.0233-0.0000 ( 4157 PWs) bands (ev): -7.6653 -7.6653 -6.4370 -6.4370 -4.1378 -4.1378 -3.7663 -3.7663 1.7062 1.7062 2.6261 2.6261 2.9397 2.9397 3.5314 3.5314 4.1859 4.1859 4.5303 4.5303 4.6069 4.6069 4.6670 4.6670 4.8431 4.8431 5.2576 5.2576 5.3572 5.3572 5.4109 5.4109 5.4448 5.4448 5.5419 5.5419 5.6321 5.6321 6.4231 6.4231 6.5050 6.5050 8.8445 8.8445 8.9998 8.9998 9.2186 9.2186 9.9135 9.9135 10.8260 10.8260 11.8167 11.8167 11.9155 11.9155 k = 0.0000 0.0117-0.0000 ( 4167 PWs) bands (ev): -7.6681 -7.6681 -6.4368 -6.4368 -4.1366 -4.1366 -3.7596 -3.7596 1.6926 1.6926 2.6610 2.6610 2.9552 2.9552 3.4864 3.4864 4.1840 4.1840 4.5558 4.5558 4.6115 4.6115 4.6397 4.6397 4.8398 4.8398 5.2532 5.2532 5.3558 5.3558 5.4101 5.4101 5.4444 5.4444 5.5415 5.5415 5.6307 5.6307 6.4170 6.4170 6.4983 6.4983 8.8464 8.8464 9.0009 9.0009 9.2312 9.2312 9.9135 9.9135 10.8706 10.8706 11.8091 11.8091 11.8817 11.8817 k = 0.0000 0.0000 0.0000 ( 4167 PWs) bands (ev): -7.6690 -7.6690 -6.4367 -6.4367 -4.1362 -4.1362 -3.7574 -3.7574 1.6880 1.6880 2.6734 2.6734 2.9608 2.9608 3.4703 3.4703 4.1833 4.1833 4.5689 4.5689 4.6192 4.6192 4.6197 4.6197 4.8388 4.8388 5.2517 5.2517 5.3553 5.3553 5.4098 5.4098 5.4443 5.4443 5.5413 5.5413 5.6303 5.6303 6.4149 6.4149 6.4962 6.4962 8.8470 8.8470 9.0013 9.0013 9.2354 9.2354 9.9135 9.9135 10.8863 10.8863 11.8059 11.8059 11.8702 11.8702 k = 0.0000 0.0000 0.0000 ( 4167 PWs) bands (ev): -7.6690 -7.6690 -6.4367 -6.4367 -4.1362 -4.1362 -3.7574 -3.7574 1.6880 1.6880 2.6734 2.6734 2.9608 2.9608 3.4703 3.4703 4.1833 4.1833 4.5689 4.5689 4.6192 4.6192 4.6197 4.6197 4.8388 4.8388 5.2517 5.2517 5.3553 5.3553 5.4098 5.4098 5.4443 5.4443 5.5413 5.5413 5.6303 5.6303 6.4149 6.4149 6.4962 6.4962 8.8470 8.8470 9.0013 9.0013 9.2354 9.2354 9.9135 9.9135 10.8863 10.8863 11.8059 11.8059 11.8702 11.8702 k = 0.0000 0.0000 0.0116 ( 4163 PWs) bands (ev): -7.6681 -7.6681 -6.4383 -6.4383 -4.1355 -4.1355 -3.7575 -3.7575 1.6876 1.6876 2.6704 2.6704 2.9627 2.9627 3.4721 3.4721 4.1797 4.1797 4.5688 4.5688 4.6141 4.6141 4.6268 4.6268 4.8448 4.8448 5.2528 5.2528 5.3549 5.3549 5.4098 5.4098 5.4443 5.4443 5.5419 5.5419 5.6302 5.6302 6.4141 6.4141 6.4965 6.4965 8.8441 8.8441 8.9959 8.9959 9.2350 9.2350 9.9072 9.9072 10.8821 10.8821 11.8086 11.8086 11.8721 11.8721 k = 0.0000 0.0000 0.0233 ( 4169 PWs) bands (ev): -7.6656 -7.6656 -6.4430 -6.4430 -4.1331 -4.1331 -3.7578 -3.7578 1.6864 1.6864 2.6613 2.6613 2.9685 2.9685 3.4775 3.4775 4.1694 4.1694 4.5683 4.5683 4.6096 4.6096 4.6368 4.6368 4.8628 4.8628 5.2558 5.2558 5.3537 5.3537 5.4098 5.4098 5.4442 5.4442 5.5434 5.5434 5.6297 5.6297 6.4114 6.4114 6.4974 6.4974 8.8340 8.8340 8.9816 8.9816 9.2339 9.2339 9.8887 9.8887 10.8696 10.8696 11.8168 11.8168 11.8782 11.8782 k = 0.0000 0.0000 0.0349 ( 4163 PWs) bands (ev): -7.6613 -7.6613 -6.4509 -6.4509 -4.1293 -4.1293 -3.7582 -3.7582 1.6845 1.6845 2.6463 2.6463 2.9784 2.9784 3.4863 3.4863 4.1541 4.1541 4.5677 4.5677 4.6050 4.6050 4.6491 4.6491 4.8919 4.8919 5.2609 5.2609 5.3517 5.3517 5.4098 5.4098 5.4442 5.4442 5.5460 5.5460 5.6290 5.6290 6.4071 6.4071 6.4990 6.4990 8.8125 8.8125 8.9632 8.9632 9.2322 9.2322 9.8586 9.8586 10.8491 10.8491 11.8303 11.8303 11.8902 11.8902 k = 0.0000 0.0000 0.0465 ( 4161 PWs) bands (ev): -7.6553 -7.6553 -6.4618 -6.4618 -4.1240 -4.1240 -3.7588 -3.7588 1.6818 1.6818 2.6254 2.6254 2.9927 2.9927 3.4984 3.4984 4.1359 4.1359 4.5669 4.5669 4.6001 4.6001 4.6625 4.6625 4.9309 4.9309 5.2676 5.2676 5.3489 5.3489 5.4097 5.4097 5.4443 5.4443 5.5497 5.5497 5.6280 5.6280 6.4010 6.4010 6.5013 6.5013 8.7745 8.7745 8.9475 8.9475 9.2301 9.2301 9.8177 9.8177 10.8212 10.8212 11.8489 11.8489 11.9102 11.9102 k = 0.0000 0.0000 0.0581 ( 4159 PWs) bands (ev): -7.6475 -7.6475 -6.4756 -6.4756 -4.1173 -4.1173 -3.7596 -3.7596 1.6785 1.6785 2.5990 2.5990 3.0116 3.0116 3.5136 3.5136 4.1162 4.1162 4.5659 4.5659 4.5951 4.5951 4.6762 4.6762 4.9779 4.9779 5.2758 5.2758 5.3454 5.3454 5.4096 5.4096 5.4447 5.4447 5.5545 5.5545 5.6268 5.6268 6.3932 6.3932 6.5044 6.5044 8.7184 8.7184 8.9377 8.9377 9.2277 9.2277 9.7676 9.7676 10.7864 10.7864 11.8716 11.8716 11.9396 11.9396 k = 0.0000 0.0000 0.0698 ( 4153 PWs) bands (ev): -7.6381 -7.6381 -6.4923 -6.4923 -4.1093 -4.1093 -3.7607 -3.7607 1.6746 1.6746 2.5676 2.5676 3.0354 3.0354 3.5316 3.5316 4.0963 4.0963 4.5647 4.5647 4.5902 4.5902 4.6900 4.6900 5.0306 5.0306 5.2848 5.2848 5.3416 5.3416 5.4092 5.4092 5.4456 5.4456 5.5606 5.5606 5.6256 5.6256 6.3838 6.3838 6.5083 6.5083 8.6468 8.6468 8.9333 8.9333 9.2250 9.2250 9.7101 9.7101 10.7454 10.7454 11.8977 11.8977 11.9790 11.9790 k = 0.0000 0.0000 0.0814 ( 4153 PWs) bands (ev): -7.6271 -7.6271 -6.5116 -6.5116 -4.1002 -4.1002 -3.7619 -3.7619 1.6704 1.6704 2.5318 2.5318 3.0641 3.0641 3.5522 3.5522 4.0770 4.0770 4.5632 4.5632 4.5854 4.5854 4.7037 4.7037 5.0867 5.0867 5.2935 5.2935 5.3383 5.3383 5.4088 5.4088 5.4474 5.4474 5.5676 5.5676 5.6242 5.6242 6.3727 6.3727 6.5133 6.5133 8.5635 8.5635 8.9325 8.9325 9.2221 9.2221 9.6470 9.6470 10.6987 10.6987 11.9265 11.9265 12.0283 12.0283 k = 0.0000 0.0000 0.0930 ( 4149 PWs) bands (ev): -7.6143 -7.6143 -6.5334 -6.5334 -4.0900 -4.0900 -3.7634 -3.7634 1.6658 1.6658 2.4923 2.4923 3.0976 3.0976 3.5752 3.5752 4.0587 4.0587 4.5615 4.5615 4.5809 4.5809 4.7174 4.7174 5.1434 5.1434 5.3000 5.3000 5.3375 5.3375 5.4085 5.4085 5.4504 5.4504 5.5757 5.5757 5.6234 5.6234 6.3601 6.3601 6.5193 6.5193 8.4719 8.4719 8.9340 8.9340 9.2188 9.2188 9.5803 9.5803 10.6468 10.6468 11.9578 11.9578 12.0863 12.0863 k = 0.0000 0.0000 0.1047 ( 4147 PWs) bands (ev): -7.6000 -7.6000 -6.5575 -6.5575 -4.0788 -4.0788 -3.7652 -3.7652 1.6612 1.6612 2.4498 2.4498 3.1358 3.1358 3.6004 3.6004 4.0416 4.0416 4.5594 4.5594 4.5768 4.5768 4.7311 4.7311 5.1965 5.1965 5.3028 5.3028 5.3417 5.3417 5.4088 5.4088 5.4550 5.4550 5.5842 5.5842 5.6235 5.6235 6.3459 6.3459 6.5267 6.5267 8.3746 8.3746 8.9371 8.9371 9.2152 9.2152 9.5118 9.5118 10.5900 10.5900 11.9915 11.9915 12.1515 12.1515 k = 0.0000 0.0000 0.1163 ( 4155 PWs) bands (ev): -7.5840 -7.5840 -6.5837 -6.5837 -4.0669 -4.0669 -3.7672 -3.7672 1.6567 1.6567 2.4051 2.4051 3.1784 3.1784 3.6277 3.6277 4.0259 4.0259 4.5572 4.5572 4.5732 4.5732 4.7451 4.7451 5.2372 5.2372 5.3053 5.3053 5.3531 5.3531 5.4103 5.4103 5.4614 5.4614 5.5923 5.5923 5.6256 5.6256 6.3302 6.3302 6.5355 6.5355 8.2739 8.2739 8.9415 8.9415 9.2112 9.2112 9.4434 9.4434 10.5289 10.5289 12.0275 12.0275 12.2226 12.2226 k = 0.0000 0.0000 0.1279 ( 4149 PWs) bands (ev): -7.5664 -7.5664 -6.6119 -6.6119 -4.0543 -4.0543 -3.7696 -3.7696 1.6525 1.6525 2.3587 2.3587 3.2249 3.2249 3.6570 3.6570 4.0113 4.0113 4.5548 4.5548 4.5700 4.5700 4.7593 4.7593 5.2534 5.2534 5.3107 5.3107 5.3773 5.3773 5.4135 5.4135 5.4703 5.4703 5.5991 5.5991 5.6316 5.6316 6.3130 6.3130 6.5461 6.5461 8.1717 8.1717 8.9467 8.9467 9.2069 9.2069 9.3767 9.3767 10.4637 10.4637 12.0658 12.0658 12.2982 12.2982 k = 0.0000 0.0000 0.1396 ( 4151 PWs) bands (ev): -7.5473 -7.5473 -6.6419 -6.6419 -4.0412 -4.0412 -3.7723 -3.7723 1.6488 1.6488 2.3114 2.3114 3.2749 3.2749 3.6885 3.6885 3.9978 3.9978 4.5522 4.5522 4.5671 4.5671 4.7738 4.7738 5.2508 5.2508 5.3108 5.3108 5.4122 5.4122 5.4201 5.4201 5.4814 5.4814 5.6052 5.6052 5.6417 5.6417 6.2945 6.2945 6.5587 6.5587 8.0698 8.0698 8.9526 8.9526 9.2021 9.2021 9.3131 9.3131 10.3947 10.3947 12.1062 12.1062 12.3769 12.3769 k = 0.0000 0.0000 0.1512 ( 4147 PWs) bands (ev): -7.5267 -7.5267 -6.6733 -6.6733 -4.0276 -4.0276 -3.7754 -3.7754 1.6459 1.6459 2.2637 2.2637 3.3275 3.3275 3.7225 3.7225 3.9853 3.9853 4.5498 4.5498 4.5646 4.5646 4.7886 4.7886 5.2412 5.2412 5.3027 5.3027 5.4215 5.4215 5.4551 5.4551 5.4935 5.4935 5.6131 5.6131 5.6550 5.6550 6.2746 6.2746 6.5734 6.5734 7.9697 7.9697 8.9590 8.9590 9.1969 9.1969 9.2543 9.2543 10.3224 10.3224 12.1487 12.1487 12.4576 12.4576 k = 0.0000 0.0000 0.1628 ( 4153 PWs) bands (ev): -7.5046 -7.5046 -6.7062 -6.7062 -4.0138 -4.0138 -3.7788 -3.7788 1.6440 1.6440 2.2160 2.2160 3.3817 3.3817 3.7594 3.7594 3.9736 3.9736 4.5474 4.5474 4.5622 4.5622 4.8037 4.8037 5.2284 5.2284 5.2880 5.2880 5.4261 5.4261 5.4908 5.4908 5.5044 5.5044 5.6257 5.6257 5.6705 5.6705 6.2535 6.2535 6.5906 6.5906 7.8726 7.8726 8.9658 8.9658 9.1899 9.1899 9.2029 9.2029 10.2470 10.2470 12.1932 12.1932 12.5389 12.5389 k = 0.0000 0.0000 0.1744 ( 4153 PWs) bands (ev): -7.4810 -7.4810 -6.7402 -6.7402 -3.9998 -3.9998 -3.7827 -3.7827 1.6432 1.6432 2.1688 2.1688 3.4364 3.4364 3.7999 3.7999 3.9626 3.9626 4.5453 4.5453 4.5599 4.5599 4.8192 4.8192 5.2138 5.2138 5.2670 5.2670 5.4303 5.4303 5.5098 5.5098 5.5235 5.5235 5.6443 5.6443 5.6875 5.6875 6.2313 6.2313 6.6105 6.6105 7.7796 7.7796 8.9726 8.9726 9.1544 9.1544 9.1870 9.1870 10.1689 10.1689 12.2397 12.2397 12.6193 12.6193 k = 0.0000 0.0000 0.1861 ( 4157 PWs) bands (ev): -7.4561 -7.4561 -6.7752 -6.7752 -3.9857 -3.9857 -3.7871 -3.7871 1.6439 1.6439 2.1225 2.1225 3.4900 3.4900 3.8445 3.8445 3.9525 3.9525 4.5434 4.5434 4.5577 4.5577 4.8351 4.8351 5.1979 5.1979 5.2399 5.2399 5.4341 5.4341 5.5122 5.5122 5.5512 5.5512 5.6667 5.6667 5.7051 5.7051 6.2079 6.2079 6.6333 6.6333 7.6913 7.6913 8.9795 8.9795 9.1177 9.1177 9.1806 9.1806 10.0886 10.0886 12.2882 12.2882 12.6974 12.6974 k = 0.0000 0.0000 0.1977 ( 4153 PWs) bands (ev): -7.4298 -7.4298 -6.8110 -6.8110 -3.9717 -3.9717 -3.7919 -3.7919 1.6461 1.6461 2.0775 2.0775 3.5411 3.5411 3.8921 3.8921 3.9456 3.9456 4.5419 4.5419 4.5557 4.5557 4.8514 4.8514 5.1810 5.1810 5.2065 5.2065 5.4377 5.4377 5.5110 5.5110 5.5770 5.5770 5.6898 5.6898 5.7231 5.7231 6.1836 6.1836 6.6591 6.6591 7.6081 7.6081 8.9860 8.9860 9.0905 9.0905 9.1742 9.1742 10.0065 10.0065 12.3385 12.3385 12.7710 12.7710 k = 0.0000 0.0000 0.2093 ( 4153 PWs) bands (ev): -7.4022 -7.4022 -6.8474 -6.8474 -3.9579 -3.9579 -3.7972 -3.7972 1.6501 1.6501 2.0339 2.0339 3.5882 3.5882 3.9187 3.9187 3.9662 3.9662 4.5406 4.5406 4.5537 4.5537 4.8680 4.8680 5.1600 5.1600 5.1694 5.1694 5.4412 5.4412 5.5076 5.5076 5.6014 5.6014 5.7110 5.7110 5.7414 5.7414 6.1583 6.1583 6.6882 6.6882 7.5300 7.5300 8.9926 8.9926 9.0735 9.0735 9.1677 9.1677 9.9232 9.9232 12.3907 12.3907 12.8376 12.8376 k = 0.0000 0.0000 0.2210 ( 4152 PWs) bands (ev): -7.3734 -7.3734 -6.8842 -6.8842 -3.9442 -3.9442 -3.8030 -3.8030 1.6561 1.6561 1.9922 1.9922 3.6308 3.6308 3.9131 3.9131 4.0257 4.0257 4.5396 4.5396 4.5517 4.5517 4.8849 4.8849 5.1162 5.1162 5.1474 5.1474 5.4445 5.4445 5.5031 5.5031 5.6243 5.6243 5.7283 5.7283 5.7609 5.7609 6.1323 6.1323 6.7205 6.7205 7.4567 7.4567 9.0001 9.0001 9.0662 9.0662 9.1611 9.1611 9.8391 9.8391 12.4445 12.4445 12.8940 12.8940 k = 0.0000 0.0000 0.2326 ( 4162 PWs) bands (ev): -7.3434 -7.3434 -6.9214 -6.9214 -3.9309 -3.9309 -3.8094 -3.8094 1.6642 1.6642 1.9524 1.9524 3.6684 3.6684 3.9030 3.9030 4.0960 4.0960 4.5389 4.5389 4.5499 4.5499 4.9018 4.9018 5.0615 5.0615 5.1287 5.1287 5.4478 5.4478 5.4980 5.4980 5.6457 5.6457 5.7403 5.7403 5.7825 5.7825 6.1056 6.1056 6.7562 6.7562 7.3877 7.3877 9.0103 9.0103 9.0670 9.0670 9.1549 9.1549 9.7550 9.7550 12.4999 12.4999 12.9365 12.9365 k = 0.0000 0.0000 0.2442 ( 4160 PWs) bands (ev): -7.3123 -7.3123 -6.9587 -6.9587 -3.9179 -3.9179 -3.8164 -3.8164 1.6745 1.6745 1.9147 1.9147 3.7016 3.7016 3.8916 3.8916 4.1728 4.1728 4.5385 4.5385 4.5481 4.5481 4.9180 4.9180 5.0006 5.0006 5.1100 5.1100 5.4511 5.4511 5.4928 5.4928 5.6654 5.6654 5.7475 5.7475 5.8060 5.8060 6.0784 6.0784 6.7951 6.7951 7.3223 7.3223 9.0240 9.0240 9.0742 9.0742 9.1497 9.1497 9.6714 9.6714 12.5564 12.5564 12.9616 12.9616 k = 0.0000 0.0000 0.2559 ( 4162 PWs) bands (ev): -7.2801 -7.2801 -6.9960 -6.9960 -3.9053 -3.9053 -3.8239 -3.8239 1.6871 1.6871 1.8794 1.8794 3.7309 3.7309 3.8793 3.8793 4.2543 4.2543 4.5384 4.5384 4.5465 4.5465 4.9170 4.9170 4.9507 4.9507 5.0911 5.0911 5.4545 5.4545 5.4877 5.4877 5.6833 5.6833 5.7507 5.7507 5.8309 5.8309 6.0507 6.0507 6.8371 6.8371 7.2598 7.2598 9.0398 9.0398 9.0863 9.0863 9.1483 9.1483 9.5894 9.5894 12.6139 12.6139 12.9675 12.9675 k = 0.0000 0.0000 0.2675 ( 4160 PWs) bands (ev): -7.2470 -7.2470 -7.0332 -7.0332 -3.8932 -3.8932 -3.8321 -3.8321 1.7022 1.7022 1.8464 1.8464 3.7567 3.7567 3.8660 3.8660 4.3391 4.3391 4.5386 4.5386 4.5451 4.5451 4.8511 4.8511 4.9601 4.9601 5.0720 5.0720 5.4580 5.4580 5.4828 5.4828 5.6992 5.6992 5.7506 5.7506 5.8568 5.8568 6.0227 6.0227 6.8820 6.8820 7.1998 7.1998 9.0545 9.0545 9.0975 9.0975 9.1587 9.1587 9.5096 9.5096 12.6718 12.6718 12.9548 12.9548 k = 0.0000 0.0000 0.2791 ( 4160 PWs) bands (ev): -7.2130 -7.2130 -7.0702 -7.0702 -3.8816 -3.8816 -3.8408 -3.8408 1.7198 1.7198 1.8159 1.8159 3.7798 3.7798 3.8517 3.8517 4.4257 4.4257 4.5389 4.5389 4.5441 4.5441 4.7725 4.7725 4.9776 4.9776 5.0529 5.0529 5.4616 5.4616 5.4782 5.4782 5.7130 5.7130 5.7477 5.7477 5.8835 5.8835 5.9946 5.9946 6.9296 6.9296 7.1419 7.1419 9.0670 9.0670 9.0995 9.0995 9.1896 9.1896 9.4332 9.4332 12.7292 12.7292 12.9265 12.9265 k = 0.0000 0.0000 0.2907 ( 4158 PWs) bands (ev): -7.1783 -7.1783 -7.1067 -7.1067 -3.8705 -3.8705 -3.8501 -3.8501 1.7399 1.7399 1.7880 1.7880 3.8005 3.8005 3.8361 3.8361 4.5103 4.5103 4.5393 4.5393 4.5461 4.5461 4.6896 4.6896 4.9961 4.9961 5.0338 5.0338 5.4655 5.4655 5.4737 5.4737 5.7248 5.7248 5.7423 5.7423 5.9108 5.9108 5.9664 5.9664 6.9796 6.9796 7.0859 7.0859 9.0776 9.0776 9.0946 9.0946 9.2371 9.2371 9.3614 9.3614 12.7853 12.7853 12.8865 12.8865 k = 0.0000 0.0000 0.3024 ( 4158 PWs) bands (ev): -7.1428 -7.1428 -7.1428 -7.1428 -3.8600 -3.8600 -3.8600 -3.8600 1.7627 1.7627 1.7627 1.7627 3.8191 3.8191 3.8191 3.8191 4.5386 4.5386 4.5386 4.5386 4.6048 4.6048 4.6048 4.6048 5.0149 5.0149 5.0149 5.0149 5.4695 5.4695 5.4695 5.4695 5.7346 5.7346 5.7346 5.7346 5.9385 5.9385 5.9385 5.9385 7.0318 7.0318 7.0318 7.0318 9.0869 9.0869 9.0869 9.0869 9.2954 9.2954 9.2954 9.2954 12.8384 12.8384 12.8384 12.8384 k = 0.0000 0.0000 0.3024 ( 4158 PWs) bands (ev): -7.1428 -7.1428 -7.1428 -7.1428 -3.8600 -3.8600 -3.8600 -3.8600 1.7627 1.7627 1.7627 1.7627 3.8191 3.8191 3.8191 3.8191 4.5386 4.5386 4.5386 4.5386 4.6048 4.6048 4.6048 4.6048 5.0149 5.0149 5.0149 5.0149 5.4695 5.4695 5.4695 5.4695 5.7346 5.7346 5.7346 5.7346 5.9385 5.9385 5.9385 5.9385 7.0318 7.0318 7.0318 7.0318 9.0869 9.0869 9.0869 9.0869 9.2954 9.2954 9.2954 9.2954 12.8384 12.8384 12.8384 12.8384 k = 0.0119-0.0000 0.3024 ( 4158 PWs) bands (ev): -7.1423 -7.1423 -7.1422 -7.1422 -3.8599 -3.8599 -3.8598 -3.8598 1.7629 1.7629 1.7639 1.7639 3.8191 3.8191 3.8194 3.8194 4.5316 4.5316 4.5417 4.5417 4.6036 4.6036 4.6059 4.6059 5.0040 5.0040 5.0185 5.0185 5.4639 5.4639 5.4755 5.4755 5.7327 5.7327 5.7327 5.7327 5.9377 5.9377 5.9437 5.9437 7.0307 7.0307 7.0369 7.0369 9.0641 9.0641 9.0869 9.0869 9.2854 9.2854 9.3203 9.3203 12.8420 12.8420 12.8427 12.8427 k = 0.0238-0.0000 0.3024 ( 4174 PWs) bands (ev): -7.1406 -7.1406 -7.1405 -7.1405 -3.8594 -3.8594 -3.8592 -3.8592 1.7646 1.7646 1.7667 1.7667 3.8192 3.8192 3.8199 3.8199 4.5219 4.5219 4.5401 4.5401 4.6028 4.6028 4.6054 4.6054 4.9864 4.9864 5.0152 5.0152 5.4592 5.4592 5.4815 5.4815 5.7270 5.7270 5.7274 5.7274 5.9411 5.9411 5.9525 5.9525 7.0334 7.0334 7.0459 7.0459 9.0261 9.0261 9.0612 9.0612 9.2936 9.2936 9.3525 9.3525 12.8530 12.8530 12.8545 12.8545 k = 0.0357-0.0000 0.3024 ( 4174 PWs) bands (ev): -7.1378 -7.1378 -7.1377 -7.1377 -3.8586 -3.8586 -3.8582 -3.8582 1.7677 1.7677 1.7708 1.7708 3.8196 3.8196 3.8205 3.8205 4.5103 4.5103 4.5344 4.5344 4.6010 4.6010 4.6015 4.6015 4.9643 4.9643 5.0065 5.0065 5.4556 5.4556 5.4869 5.4869 5.7185 5.7185 5.7198 5.7198 5.9482 5.9482 5.9636 5.9636 7.0399 7.0399 7.0586 7.0586 8.9777 8.9777 9.0157 9.0157 9.3141 9.3141 9.3876 9.3876 12.8707 12.8707 12.8731 12.8731 k = 0.0476-0.0000 0.3024 ( 4172 PWs) bands (ev): -7.1338 -7.1338 -7.1337 -7.1337 -3.8575 -3.8575 -3.8569 -3.8569 1.7723 1.7723 1.7765 1.7765 3.8200 3.8200 3.8210 3.8210 4.4976 4.4976 4.5255 4.5255 4.5923 4.5923 4.5957 4.5957 4.9402 4.9402 4.9947 4.9947 5.4529 5.4529 5.4913 5.4913 5.7084 5.7084 5.7108 5.7108 5.9577 5.9577 5.9759 5.9759 7.0496 7.0496 7.0744 7.0744 8.9209 8.9209 8.9572 8.9572 9.3408 9.3408 9.4238 9.4238 12.8938 12.8938 12.8973 12.8973 k = 0.0595-0.0000 0.3024 ( 4172 PWs) bands (ev): -7.1288 -7.1288 -7.1287 -7.1287 -3.8560 -3.8560 -3.8553 -3.8553 1.7782 1.7782 1.7835 1.7835 3.8201 3.8201 3.8212 3.8212 4.4840 4.4840 4.5138 4.5138 4.5762 4.5762 4.5845 4.5845 4.9178 4.9178 4.9827 4.9827 5.4509 5.4509 5.4944 5.4944 5.6976 5.6976 5.7011 5.7011 5.9684 5.9684 5.9883 5.9883 7.0620 7.0620 7.0930 7.0930 8.8570 8.8570 8.8893 8.8893 9.3707 9.3707 9.4604 9.4604 12.9202 12.9202 12.9250 12.9250 k = 0.0714-0.0000 0.3024 ( 4164 PWs) bands (ev): -7.1227 -7.1227 -7.1225 -7.1225 -3.8542 -3.8542 -3.8534 -3.8534 1.7855 1.7855 1.7920 1.7920 3.8198 3.8198 3.8207 3.8207 4.4689 4.4689 4.4983 4.4983 4.5530 4.5530 4.5665 4.5665 4.9004 4.9004 4.9732 4.9732 5.4493 5.4493 5.4961 5.4961 5.6868 5.6868 5.6912 5.6912 5.9794 5.9794 6.0002 6.0002 7.0765 7.0765 7.1136 7.1136 8.7865 8.7865 8.8138 8.8138 9.4025 9.4025 9.4976 9.4976 12.9472 12.9472 12.9536 12.9536 k = 0.0833-0.0000 0.3024 ( 4164 PWs) bands (ev): -7.1156 -7.1156 -7.1153 -7.1153 -3.8520 -3.8520 -3.8511 -3.8511 1.7941 1.7941 1.8018 1.8018 3.8184 3.8184 3.8190 3.8190 4.4506 4.4506 4.4754 4.4754 4.5247 4.5247 4.5446 4.5446 4.8902 4.8902 4.9677 4.9677 5.4477 5.4477 5.4962 5.4962 5.6765 5.6765 5.6812 5.6812 5.9902 5.9902 6.0111 6.0111 7.0925 7.0925 7.1357 7.1357 8.7101 8.7101 8.7320 8.7320 9.4359 9.4359 9.5352 9.5352 12.9713 12.9713 12.9796 12.9796 k = 0.0952-0.0000 0.3024 ( 4160 PWs) bands (ev): -7.1074 -7.1074 -7.1071 -7.1071 -3.8496 -3.8496 -3.8486 -3.8486 1.8039 1.8039 1.8129 1.8129 3.8154 3.8154 3.8155 3.8155 4.4250 4.4250 4.4405 4.4405 4.4968 4.4968 4.5253 4.5253 4.8873 4.8873 4.9670 4.9670 5.4461 5.4461 5.4948 5.4948 5.6669 5.6669 5.6714 5.6714 6.0003 6.0003 6.0207 6.0207 7.1094 7.1094 7.1586 7.1586 8.6284 8.6284 8.6447 8.6447 9.4706 9.4706 9.5733 9.5733 12.9885 12.9885 12.9988 12.9988 k = 0.1071-0.0000 0.3024 ( 4152 PWs) bands (ev): -7.0982 -7.0982 -7.0979 -7.0979 -3.8470 -3.8470 -3.8458 -3.8458 1.8148 1.8148 1.8252 1.8252 3.8090 3.8090 3.8100 3.8100 4.3883 4.3883 4.3938 4.3938 4.4756 4.4756 4.5114 4.5114 4.8907 4.8907 4.9707 4.9707 5.4441 5.4441 5.4921 5.4921 5.6579 5.6579 5.6617 5.6617 6.0095 6.0095 6.0290 6.0290 7.1266 7.1266 7.1817 7.1817 8.5424 8.5424 8.5530 8.5530 9.5064 9.5064 9.6118 9.6118 12.9948 12.9948 13.0069 13.0069 k = 0.1190-0.0000 0.3024 ( 4158 PWs) bands (ev): -7.0881 -7.0881 -7.0877 -7.0877 -3.8441 -3.8441 -3.8428 -3.8428 1.8269 1.8269 1.8386 1.8386 3.7984 3.7984 3.8007 3.8007 4.3402 4.3402 4.3430 4.3430 4.4617 4.4617 4.5016 4.5016 4.8986 4.8986 4.9781 4.9781 5.4417 5.4417 5.4881 5.4881 5.6495 5.6495 5.6521 5.6521 6.0175 6.0175 6.0358 6.0358 7.1434 7.1434 7.2044 7.2044 8.4527 8.4527 8.4574 8.4574 9.5431 9.5431 9.6506 9.6506 12.9870 12.9870 13.0003 13.0003 k = 0.1310-0.0000 0.3024 ( 4160 PWs) bands (ev): -7.0770 -7.0770 -7.0766 -7.0766 -3.8410 -3.8410 -3.8396 -3.8396 1.8398 1.8398 1.8531 1.8531 3.7823 3.7823 3.7862 3.7862 4.2849 4.2849 4.2948 4.2948 4.4526 4.4526 4.4948 4.4948 4.9099 4.9099 4.9884 4.9884 5.4389 5.4389 5.4831 5.4831 5.6416 5.6416 5.6426 5.6426 6.0243 6.0243 6.0411 6.0411 7.1595 7.1595 7.2264 7.2264 8.3591 8.3591 8.3602 8.3602 9.5806 9.5806 9.6895 9.6895 12.9638 12.9638 12.9775 12.9775 k = 0.1429-0.0000 0.3024 ( 4158 PWs) bands (ev): -7.0651 -7.0651 -7.0647 -7.0647 -3.8377 -3.8377 -3.8361 -3.8361 1.8536 1.8536 1.8685 1.8685 3.7589 3.7589 3.7644 3.7644 4.2321 4.2321 4.2484 4.2484 4.4468 4.4468 4.4904 4.4904 4.9235 4.9235 5.0010 5.0010 5.4356 5.4356 5.4774 5.4774 5.6331 5.6331 5.6339 5.6339 6.0300 6.0300 6.0451 6.0451 7.1741 7.1741 7.2470 7.2470 8.2587 8.2587 8.2660 8.2660 9.6186 9.6186 9.7284 9.7284 12.9258 12.9258 12.9387 12.9387 k = 0.1548-0.0000 0.3024 ( 4156 PWs) bands (ev): -7.0523 -7.0523 -7.0519 -7.0519 -3.8342 -3.8342 -3.8326 -3.8326 1.8681 1.8681 1.8847 1.8847 3.7270 3.7270 3.7336 3.7336 4.1852 4.1852 4.2069 4.2069 4.4439 4.4439 4.4883 4.4883 4.9388 4.9388 5.0153 5.0153 5.4320 5.4320 5.4709 5.4709 5.6235 5.6235 5.6263 5.6263 6.0345 6.0345 6.0478 6.0478 7.1867 7.1867 7.2659 7.2659 8.1573 8.1573 8.1709 8.1709 9.6569 9.6569 9.7670 9.7670 12.8751 12.8751 12.8862 12.8862 k = 0.1667-0.0000 0.3024 ( 4156 PWs) bands (ev): -7.0388 -7.0388 -7.0383 -7.0383 -3.8306 -3.8306 -3.8289 -3.8289 1.8830 1.8830 1.9016 1.9016 3.6861 3.6861 3.6928 3.6928 4.1463 4.1463 4.1722 4.1722 4.4438 4.4438 4.4885 4.4885 4.9552 4.9552 5.0309 5.0309 5.4280 5.4280 5.4639 5.4639 5.6139 5.6139 5.6188 5.6188 6.0377 6.0377 6.0490 6.0490 7.1966 7.1966 7.2824 7.2824 8.0558 8.0558 8.0761 8.0761 9.6952 9.6952 9.8051 9.8051 12.8144 12.8144 12.8228 12.8228 k = 0.1786-0.0000 0.3024 ( 4154 PWs) bands (ev): -7.0246 -7.0246 -7.0241 -7.0241 -3.8269 -3.8269 -3.8251 -3.8251 1.8983 1.8983 1.9190 1.9190 3.6367 3.6367 3.6423 3.6423 4.1162 4.1162 4.1446 4.1446 4.4464 4.4464 4.4909 4.4909 4.9726 4.9726 5.0475 5.0475 5.4237 5.4237 5.4564 5.4564 5.6041 5.6041 5.6113 5.6113 6.0398 6.0398 6.0489 6.0489 7.2029 7.2029 7.2958 7.2958 7.9555 7.9555 7.9830 7.9830 9.7333 9.7333 9.8424 9.8424 12.7466 12.7466 12.7515 12.7515 k = 0.1905-0.0000 0.3024 ( 4150 PWs) bands (ev): -7.0097 -7.0097 -7.0092 -7.0092 -3.8231 -3.8231 -3.8212 -3.8212 1.9137 1.9137 1.9366 1.9366 3.5805 3.5805 3.5839 3.5839 4.0937 4.0937 4.1234 4.1234 4.4519 4.4519 4.4958 4.4958 4.9905 4.9905 5.0648 5.0648 5.4191 5.4191 5.4485 5.4485 5.5940 5.5940 5.6036 5.6036 6.0406 6.0406 6.0475 6.0475 7.2045 7.2045 7.3048 7.3048 7.8579 7.8579 7.8930 7.8930 9.7709 9.7709 9.8787 9.8787 12.6742 12.6742 12.6751 12.6751 k = 0.2024-0.0000 0.3024 ( 4142 PWs) bands (ev): -6.9942 -6.9942 -6.9937 -6.9937 -3.8194 -3.8194 -3.8173 -3.8173 1.9289 1.9289 1.9542 1.9542 3.5196 3.5196 3.5200 3.5200 4.0771 4.0771 4.1071 4.1071 4.4601 4.4601 4.5032 4.5032 5.0088 5.0088 5.0825 5.0825 5.4143 5.4143 5.4403 5.4403 5.5838 5.5838 5.5958 5.5958 6.0402 6.0402 6.0448 6.0448 7.1998 7.1998 7.3075 7.3075 7.7657 7.7657 7.8083 7.8083 9.8077 9.8077 9.9138 9.9138 12.5958 12.5958 12.5992 12.5992 k = 0.2143-0.0000 0.3024 ( 4150 PWs) bands (ev): -6.9783 -6.9783 -6.9777 -6.9777 -3.8156 -3.8156 -3.8134 -3.8134 1.9436 1.9436 1.9716 1.9716 3.4530 3.4530 3.4561 3.4561 4.0648 4.0648 4.0944 4.0944 4.4711 4.4711 4.5129 4.5129 5.0275 5.0275 5.1006 5.1006 5.4094 5.4094 5.4318 5.4318 5.5733 5.5733 5.5878 5.5878 6.0385 6.0385 6.0407 6.0407 7.1867 7.1867 7.3004 7.3004 7.6826 7.6826 7.7313 7.7313 9.8436 9.8436 9.9475 9.9475 12.5155 12.5155 12.5235 12.5235 k = 0.2262-0.0000 0.3024 ( 4154 PWs) bands (ev): -6.9619 -6.9619 -6.9613 -6.9613 -3.8118 -3.8118 -3.8095 -3.8095 1.9575 1.9575 1.9883 1.9883 3.3851 3.3851 3.3920 3.3920 4.0553 4.0553 4.0841 4.0841 4.4848 4.4848 4.5250 4.5250 5.0464 5.0464 5.1190 5.1190 5.4043 5.4043 5.4231 5.4231 5.5625 5.5625 5.5796 5.5796 6.0351 6.0351 6.0355 6.0355 7.1629 7.1629 7.2782 7.2782 7.6143 7.6143 7.6648 7.6648 9.8783 9.8783 9.9795 9.9795 12.4356 12.4356 12.4486 12.4486 k = 0.2381-0.0000 0.3024 ( 4154 PWs) bands (ev): -6.9452 -6.9452 -6.9445 -6.9445 -3.8081 -3.8081 -3.8057 -3.8057 1.9702 1.9702 2.0041 2.0041 3.3179 3.3179 3.3288 3.3288 4.0475 4.0475 4.0754 4.0754 4.5012 4.5012 4.5395 4.5395 5.0655 5.0655 5.1375 5.1375 5.3993 5.3993 5.4143 5.4143 5.5515 5.5515 5.5714 5.5714 6.0280 6.0280 6.0312 6.0312 7.1265 7.1265 7.2364 7.2364 7.5658 7.5658 7.6110 7.6110 9.9115 9.9115 10.0097 10.0097 12.3573 12.3573 12.3756 12.3756 k = 0.2500-0.0000 0.3024 ( 4150 PWs) bands (ev): -6.9282 -6.9282 -6.9275 -6.9275 -3.8045 -3.8045 -3.8020 -3.8020 1.9813 1.9813 2.0184 2.0184 3.2530 3.2530 3.2680 3.2680 4.0408 4.0408 4.0678 4.0678 4.5199 4.5199 4.5562 4.5562 5.0847 5.0847 5.1560 5.1560 5.3943 5.3943 5.4052 5.4052 5.5404 5.5404 5.5631 5.5631 6.0194 6.0194 6.0256 6.0256 7.0773 7.0773 7.1756 7.1756 7.5369 7.5369 7.5704 7.5704 9.9431 9.9431 10.0379 10.0379 12.2816 12.2816 12.3054 12.3054 k = 0.2619-0.0000 0.3024 ( 4136 PWs) bands (ev): -6.9110 -6.9110 -6.9104 -6.9104 -3.8009 -3.8009 -3.7984 -3.7984 1.9903 1.9903 2.0309 2.0309 3.1916 3.1916 3.2106 3.2106 4.0346 4.0346 4.0608 4.0608 4.5410 4.5410 4.5749 4.5749 5.1041 5.1041 5.1745 5.1745 5.3895 5.3895 5.3960 5.3960 5.5291 5.5291 5.5549 5.5549 6.0093 6.0093 6.0185 6.0185 7.0171 7.0171 7.1018 7.1018 7.5221 7.5221 7.5417 7.5417 9.9728 9.9728 10.0638 10.0638 12.2094 12.2094 12.2390 12.2390 k = 0.2738-0.0000 0.3024 ( 4140 PWs) bands (ev): -6.8938 -6.8938 -6.8931 -6.8931 -3.7976 -3.7976 -3.7950 -3.7950 1.9968 1.9968 2.0409 2.0409 3.1347 3.1347 3.1576 3.1576 4.0286 4.0286 4.0541 4.0541 4.5640 4.5640 4.5955 4.5955 5.1235 5.1235 5.1928 5.1928 5.3847 5.3847 5.3866 5.3866 5.5177 5.5177 5.5467 5.5467 5.9974 5.9974 6.0100 6.0100 6.9489 6.9489 7.0213 7.0213 7.5153 7.5153 7.5222 7.5222 10.0005 10.0005 10.0873 10.0873 12.1413 12.1413 12.1768 12.1768 k = 0.2857-0.0000 0.3024 ( 4140 PWs) bands (ev): -6.8766 -6.8766 -6.8759 -6.8759 -3.7944 -3.7944 -3.7917 -3.7917 2.0004 2.0004 2.0479 2.0479 3.0833 3.0833 3.1099 3.1099 4.0225 4.0225 4.0476 4.0476 4.5888 4.5888 4.6178 4.6178 5.1430 5.1430 5.2109 5.2109 5.3771 5.3771 5.3802 5.3802 5.5063 5.5063 5.5387 5.5387 5.9838 5.9838 6.0000 6.0000 6.8759 6.8759 6.9383 6.9383 7.5090 7.5090 7.5127 7.5127 10.0260 10.0260 10.1084 10.1084 12.0779 12.0779 12.1195 12.1195 k = 0.2976-0.0000 0.3024 ( 4148 PWs) bands (ev): -6.8595 -6.8595 -6.8588 -6.8588 -3.7913 -3.7913 -3.7886 -3.7886 2.0007 2.0007 2.0515 2.0515 3.0381 3.0381 3.0681 3.0681 4.0163 4.0163 4.0412 4.0412 4.6152 4.6152 4.6415 4.6415 5.1624 5.1624 5.2285 5.2285 5.3675 5.3675 5.3760 5.3760 5.4951 5.4951 5.5310 5.5310 5.9684 5.9684 5.9885 5.9885 6.8006 6.8006 6.8553 6.8553 7.4999 7.4999 7.5121 7.5121 10.0491 10.0491 10.1269 10.1269 12.0194 12.0194 12.0675 12.0675 k = 0.3095-0.0000 0.3024 ( 4144 PWs) bands (ev): -6.8426 -6.8426 -6.8419 -6.8419 -3.7885 -3.7885 -3.7857 -3.7857 1.9975 1.9975 2.0512 2.0512 2.9997 2.9997 3.0327 3.0327 4.0100 4.0100 4.0349 4.0349 4.6429 4.6429 4.6665 4.6665 5.1818 5.1818 5.2454 5.2454 5.3580 5.3580 5.3725 5.3725 5.4842 5.4842 5.5236 5.5236 5.9512 5.9512 5.9755 5.9755 6.7248 6.7248 6.7739 6.7739 7.4935 7.4935 7.5124 7.5124 10.0698 10.0698 10.1427 10.1427 11.9663 11.9663 12.0209 12.0209 k = 0.3214-0.0000 0.3024 ( 4144 PWs) bands (ev): -6.8261 -6.8261 -6.8253 -6.8253 -3.7858 -3.7858 -3.7830 -3.7830 1.9907 1.9907 2.0469 2.0469 2.9685 2.9685 3.0037 3.0037 4.0033 4.0033 4.0286 4.0286 4.6718 4.6718 4.6924 4.6924 5.2009 5.2009 5.2611 5.2611 5.3487 5.3487 5.3697 5.3697 5.4739 5.4739 5.5168 5.5168 5.9320 5.9320 5.9610 5.9610 6.6498 6.6498 6.6951 6.6951 7.4887 7.4887 7.5130 7.5130 10.0880 10.0880 10.1559 10.1559 11.9187 11.9187 11.9799 11.9799 k = 0.3333-0.0000 0.3024 ( 4136 PWs) bands (ev): -6.8099 -6.8099 -6.8092 -6.8092 -3.7834 -3.7834 -3.7805 -3.7805 1.9806 1.9806 2.0387 2.0387 2.9444 2.9444 2.9813 2.9813 3.9965 3.9965 4.0223 4.0223 4.7015 4.7015 4.7192 4.7192 5.2194 5.2194 5.2751 5.2751 5.3399 5.3399 5.3680 5.3680 5.4647 5.4647 5.5106 5.5106 5.9110 5.9110 5.9450 5.9450 6.5766 6.5766 6.6196 6.6196 7.4850 7.4850 7.5136 7.5136 10.1036 10.1036 10.1666 10.1666 11.8766 11.8766 11.9444 11.9444 k = 0.3452-0.0000 0.3024 ( 4136 PWs) bands (ev): -6.7943 -6.7943 -6.7936 -6.7936 -3.7812 -3.7812 -3.7782 -3.7782 1.9674 1.9674 2.0267 2.0267 2.9273 2.9273 2.9650 2.9650 3.9893 3.9893 4.0161 4.0161 4.7319 4.7319 4.7465 4.7465 5.2366 5.2366 5.2864 5.2864 5.3322 5.3322 5.3677 5.3677 5.4570 5.4570 5.5053 5.5053 5.8882 5.8882 5.9276 5.9276 6.5058 6.5058 6.5477 6.5477 7.4818 7.4818 7.5138 7.5138 10.1168 10.1168 10.1748 10.1748 11.8401 11.8401 11.9145 11.9145 k = 0.3571-0.0000 0.3024 ( 4136 PWs) bands (ev): -6.7794 -6.7794 -6.7786 -6.7786 -3.7792 -3.7792 -3.7762 -3.7762 1.9516 1.9516 2.0116 2.0116 2.9166 2.9166 2.9543 2.9543 3.9820 3.9820 4.0100 4.0100 4.7628 4.7628 4.7742 4.7742 5.2514 5.2514 5.2943 5.2943 5.3266 5.3266 5.3686 5.3686 5.4519 5.4519 5.5010 5.5010 5.8637 5.8637 5.9089 5.9089 6.4381 6.4381 6.4799 6.4799 7.4789 7.4789 7.5138 7.5138 10.1276 10.1276 10.1808 10.1808 11.8089 11.8089 11.8897 11.8897 k = 0.3690-0.0000 0.3024 ( 4146 PWs) bands (ev): -6.7652 -6.7652 -6.7644 -6.7644 -3.7774 -3.7774 -3.7744 -3.7744 1.9340 1.9340 1.9941 1.9941 2.9113 2.9113 2.9485 2.9485 3.9744 3.9744 4.0038 4.0038 4.7940 4.7940 4.8019 4.8019 5.2614 5.2614 5.2984 5.2984 5.3249 5.3249 5.3699 5.3699 5.4506 5.4506 5.4981 5.4981 5.8378 5.8378 5.8892 5.8892 6.3737 6.3737 6.4164 6.4164 7.4761 7.4761 7.5134 7.5134 10.1361 10.1361 10.1848 10.1848 11.7828 11.7828 11.8699 11.8699 k = 0.3810-0.0000 0.3024 ( 4138 PWs) bands (ev): -6.7518 -6.7518 -6.7510 -6.7510 -3.7759 -3.7759 -3.7728 -3.7728 1.9152 1.9152 1.9751 1.9751 2.9107 2.9107 2.9468 2.9468 3.9668 3.9668 3.9979 3.9979 4.8252 4.8252 4.8296 4.8296 5.2649 5.2649 5.2990 5.2990 5.3287 5.3287 5.3699 5.3699 5.4544 5.4544 5.4972 5.4972 5.8108 5.8108 5.8686 5.8686 6.3129 6.3129 6.3574 6.3574 7.4735 7.4735 7.5127 7.5127 10.1427 10.1427 10.1870 10.1870 11.7615 11.7615 11.8544 11.8544 k = 0.3929-0.0000 0.3024 ( 4134 PWs) bands (ev): -6.7394 -6.7394 -6.7386 -6.7386 -3.7745 -3.7745 -3.7714 -3.7714 1.8960 1.8960 1.9553 1.9553 2.9136 2.9136 2.9483 2.9483 3.9592 3.9592 3.9921 3.9921 4.8562 4.8562 4.8569 4.8569 5.2627 5.2627 5.2971 5.2971 5.3362 5.3362 5.3678 5.3678 5.4633 5.4633 5.4991 5.4991 5.7833 5.7833 5.8474 5.8474 6.2560 6.2560 6.3029 6.3029 7.4710 7.4710 7.5117 7.5117 10.1474 10.1474 10.1879 10.1879 11.7444 11.7444 11.8429 11.8429 k = 0.4048-0.0000 0.3024 ( 4138 PWs) bands (ev): -6.7280 -6.7280 -6.7272 -6.7272 -3.7733 -3.7733 -3.7702 -3.7702 1.8771 1.8771 1.9357 1.9357 2.9191 2.9191 2.9522 2.9522 3.9516 3.9516 3.9865 3.9865 4.8836 4.8836 4.8868 4.8868 5.2572 5.2572 5.2931 5.2931 5.3442 5.3442 5.3636 5.3636 5.4761 5.4761 5.5043 5.5043 5.7558 5.7558 5.8261 5.8261 6.2032 6.2032 6.2530 6.2530 7.4685 7.4685 7.5105 7.5105 10.1507 10.1507 10.1875 10.1875 11.7311 11.7311 11.8348 11.8348 k = 0.4167-0.0000 0.3024 ( 4140 PWs) bands (ev): -6.7177 -6.7177 -6.7169 -6.7169 -3.7723 -3.7723 -3.7691 -3.7691 1.8590 1.8590 1.9168 1.9168 2.9264 2.9264 2.9577 2.9577 3.9444 3.9444 3.9812 3.9812 4.9094 4.9094 4.9167 4.9167 5.2503 5.2503 5.2876 5.2876 5.3503 5.3503 5.3584 5.3584 5.4913 5.4913 5.5136 5.5136 5.7290 5.7290 5.8050 5.8050 6.1545 6.1545 6.2077 6.2077 7.4662 7.4662 7.5092 7.5092 10.1527 10.1527 10.1864 10.1864 11.7211 11.7211 11.8294 11.8294 k = 0.4286-0.0000 0.3024 ( 4140 PWs) bands (ev): -6.7086 -6.7086 -6.7078 -6.7078 -3.7715 -3.7715 -3.7683 -3.7683 1.8423 1.8423 1.8993 1.8993 2.9345 2.9345 2.9640 2.9640 3.9376 3.9376 3.9763 3.9763 4.9339 4.9339 4.9455 4.9455 5.2430 5.2430 5.2808 5.2808 5.3528 5.3528 5.3534 5.3534 5.5076 5.5076 5.5268 5.5268 5.7037 5.7037 5.7846 5.7846 6.1102 6.1102 6.1671 6.1671 7.4640 7.4640 7.5079 7.5079 10.1538 10.1538 10.1848 10.1848 11.7138 11.7138 11.8263 11.8263 k = 0.4405-0.0000 0.3024 ( 4140 PWs) bands (ev): -6.7008 -6.7008 -6.7000 -6.7000 -3.7708 -3.7708 -3.7676 -3.7676 1.8274 1.8274 1.8837 1.8837 2.9427 2.9427 2.9705 2.9705 3.9313 3.9313 3.9720 3.9720 4.9568 4.9568 4.9729 4.9729 5.2356 5.2356 5.2729 5.2729 5.3473 5.3473 5.3538 5.3538 5.5239 5.5239 5.5433 5.5433 5.6808 5.6808 5.7652 5.7652 6.0707 6.0707 6.1314 6.1314 7.4621 7.4621 7.5067 7.5067 10.1543 10.1543 10.1829 10.1829 11.7087 11.7087 11.8247 11.8247 k = 0.4524-0.0000 0.3024 ( 4142 PWs) bands (ev): -6.6944 -6.6944 -6.6935 -6.6935 -3.7703 -3.7703 -3.7670 -3.7670 1.8148 1.8148 1.8704 1.8704 2.9503 2.9503 2.9766 2.9766 3.9259 3.9259 3.9682 3.9682 4.9774 4.9774 4.9982 4.9982 5.2285 5.2285 5.2642 5.2642 5.3424 5.3424 5.3522 5.3522 5.5391 5.5391 5.5618 5.5618 5.6611 5.6611 5.7470 5.7470 6.0364 6.0364 6.1009 6.1009 7.4605 7.4605 7.5055 7.5055 10.1543 10.1543 10.1811 10.1811 11.7053 11.7053 11.8243 11.8243 k = 0.4643-0.0000 0.3024 ( 4134 PWs) bands (ev): -6.6893 -6.6893 -6.6884 -6.6884 -3.7699 -3.7699 -3.7666 -3.7666 1.8047 1.8047 1.8598 1.8598 2.9568 2.9568 2.9819 2.9819 3.9215 3.9215 3.9651 3.9651 4.9951 4.9951 5.0205 5.0205 5.2221 5.2221 5.2553 5.2553 5.3382 5.3382 5.3497 5.3497 5.5523 5.5523 5.5810 5.5810 5.6453 5.6453 5.7303 5.7303 6.0081 6.0081 6.0761 6.0761 7.4591 7.4591 7.5046 7.5046 10.1540 10.1540 10.1794 10.1794 11.7032 11.7032 11.8245 11.8245 k = 0.4762-0.0000 0.3024 ( 4138 PWs) bands (ev): -6.6856 -6.6856 -6.6847 -6.6847 -3.7696 -3.7696 -3.7663 -3.7663 1.7974 1.7974 1.8521 1.8521 2.9618 2.9618 2.9860 2.9860 3.9181 3.9181 3.9629 3.9629 5.0088 5.0088 5.0384 5.0384 5.2169 5.2169 5.2471 5.2471 5.3351 5.3351 5.3470 5.3470 5.5625 5.5625 5.5989 5.5989 5.6338 5.6338 5.7157 5.7157 5.9867 5.9867 6.0576 6.0576 7.4581 7.4581 7.5039 7.5039 10.1538 10.1538 10.1781 10.1781 11.7019 11.7019 11.8249 11.8249 k = 0.4881-0.0000 0.3024 ( 4142 PWs) bands (ev): -6.6834 -6.6834 -6.6825 -6.6825 -3.7694 -3.7694 -3.7662 -3.7662 1.7929 1.7929 1.8473 1.8473 2.9649 2.9649 2.9885 2.9885 3.9161 3.9161 3.9615 3.9615 5.0176 5.0176 5.0504 5.0504 5.2133 5.2133 5.2410 5.2410 5.3332 5.3332 5.3451 5.3451 5.5687 5.5687 5.6127 5.6127 5.6271 5.6271 5.7045 5.7045 5.9733 5.9733 6.0461 6.0461 7.4575 7.4575 7.5034 7.5034 10.1535 10.1535 10.1773 10.1773 11.7013 11.7013 11.8253 11.8253 k = 0.5000-0.0000 0.3024 ( 4136 PWs) bands (ev): -6.6826 -6.6826 -6.6817 -6.6817 -3.7694 -3.7694 -3.7661 -3.7661 1.7914 1.7914 1.8458 1.8458 2.9660 2.9660 2.9894 2.9894 3.9154 3.9154 3.9610 3.9610 5.0207 5.0207 5.0546 5.0546 5.2121 5.2121 5.2388 5.2388 5.3325 5.3325 5.3444 5.3444 5.5709 5.5709 5.6183 5.6183 5.6249 5.6249 5.7000 5.7000 5.9687 5.9687 6.0422 6.0422 7.4573 7.4573 7.5033 7.5033 10.1535 10.1535 10.1770 10.1770 11.7011 11.7011 11.8254 11.8254 k = 0.5000-0.0000 0.3024 ( 4136 PWs) bands (ev): -6.6826 -6.6826 -6.6817 -6.6817 -3.7694 -3.7694 -3.7661 -3.7661 1.7914 1.7914 1.8458 1.8458 2.9660 2.9660 2.9894 2.9894 3.9154 3.9154 3.9610 3.9610 5.0207 5.0207 5.0546 5.0546 5.2121 5.2121 5.2388 5.2388 5.3325 5.3325 5.3444 5.3444 5.5709 5.5709 5.6183 5.6183 5.6249 5.6249 5.7000 5.7000 5.9687 5.9687 6.0422 6.0422 7.4573 7.4573 7.5033 7.5033 10.1535 10.1535 10.1770 10.1770 11.7011 11.7011 11.8254 11.8254 k = 0.5000 0.0117 0.3024 ( 4136 PWs) bands (ev): -6.6822 -6.6822 -6.6813 -6.6813 -3.7701 -3.7701 -3.7668 -3.7668 1.7897 1.7897 1.8438 1.8438 2.9698 2.9698 2.9926 2.9926 3.9134 3.9134 3.9593 3.9593 5.0120 5.0120 5.0476 5.0476 5.2182 5.2182 5.2415 5.2415 5.3338 5.3338 5.3448 5.3448 5.5708 5.5708 5.6182 5.6182 5.6237 5.6237 5.6953 5.6953 5.9752 5.9752 6.0462 6.0462 7.4607 7.4607 7.5068 7.5068 10.1553 10.1553 10.1792 10.1792 11.6947 11.6947 11.8181 11.8181 k = 0.5000 0.0233 0.3024 ( 4128 PWs) bands (ev): -6.6811 -6.6811 -6.6802 -6.6802 -3.7721 -3.7721 -3.7688 -3.7688 1.7849 1.7849 1.8380 1.8380 2.9811 2.9811 3.0019 3.0019 3.9074 3.9074 3.9542 3.9542 4.9889 4.9889 5.0283 5.0283 5.2337 5.2337 5.2481 5.2481 5.3375 5.3375 5.3462 5.3462 5.5705 5.5705 5.6181 5.6181 5.6204 5.6204 5.6827 5.6827 5.9932 5.9932 6.0577 6.0577 7.4706 7.4706 7.5172 7.5172 10.1609 10.1609 10.1855 10.1855 11.6759 11.6759 11.7965 11.7965 k = 0.5000 0.0350 0.3024 ( 4132 PWs) bands (ev): -6.6791 -6.6791 -6.6782 -6.6782 -3.7754 -3.7754 -3.7722 -3.7722 1.7772 1.7772 1.8288 1.8288 2.9994 2.9994 3.0171 3.0171 3.8973 3.8973 3.9457 3.9457 4.9571 4.9571 5.0004 5.0004 5.2530 5.2530 5.2556 5.2556 5.3430 5.3430 5.3487 5.3487 5.5695 5.5695 5.6160 5.6160 5.6175 5.6175 5.6651 5.6651 6.0203 6.0203 6.0762 6.0762 7.4868 7.4868 7.5342 7.5342 10.1700 10.1700 10.1959 10.1959 11.6460 11.6460 11.7621 11.7621 k = 0.5000 0.0466 0.3024 ( 4136 PWs) bands (ev): -6.6764 -6.6764 -6.6755 -6.6755 -3.7801 -3.7801 -3.7769 -3.7769 1.7671 1.7671 1.8167 1.8167 3.0239 3.0239 3.0373 3.0373 3.8831 3.8831 3.9337 3.9337 4.9206 4.9206 4.9672 4.9672 5.2621 5.2621 5.2721 5.2721 5.3495 5.3495 5.3528 5.3528 5.5675 5.5675 5.6119 5.6119 5.6151 5.6151 5.6463 5.6463 6.0541 6.0541 6.1009 6.1009 7.5087 7.5087 7.5572 7.5572 10.1822 10.1822 10.2099 10.2099 11.6070 11.6070 11.7172 11.7172 k = 0.5000 0.0583 0.3024 ( 4140 PWs) bands (ev): -6.6729 -6.6729 -6.6720 -6.6720 -3.7861 -3.7861 -3.7829 -3.7829 1.7552 1.7552 1.8025 1.8025 3.0537 3.0537 3.0616 3.0616 3.8648 3.8648 3.9186 3.9186 4.8822 4.8822 4.9313 4.9313 5.2668 5.2668 5.2884 5.2884 5.3562 5.3562 5.3589 5.3589 5.5640 5.5640 5.6059 5.6059 5.6093 5.6093 5.6330 5.6330 6.0929 6.0929 6.1311 6.1311 7.5357 7.5357 7.5855 7.5855 10.1968 10.1968 10.2271 10.2271 11.5611 11.5611 11.6643 11.6643 k = 0.5000 0.0699 0.3024 ( 4140 PWs) bands (ev): -6.6687 -6.6687 -6.6678 -6.6678 -3.7932 -3.7932 -3.7901 -3.7901 1.7420 1.7420 1.7869 1.7869 3.0876 3.0876 3.0888 3.0888 3.8425 3.8425 3.9006 3.9006 4.8436 4.8436 4.8944 4.8944 5.2696 5.2696 5.3004 5.3004 5.3623 5.3623 5.3676 5.3676 5.5592 5.5592 5.5876 5.5876 5.6087 5.6087 5.6288 5.6288 6.1356 6.1356 6.1659 6.1659 7.5668 7.5668 7.6182 7.6182 10.2130 10.2130 10.2466 10.2466 11.5113 11.5113 11.6065 11.6065 k = 0.5000 0.0816 0.3024 ( 4128 PWs) bands (ev): -6.6638 -6.6638 -6.6630 -6.6630 -3.8016 -3.8016 -3.7985 -3.7985 1.7282 1.7282 1.7706 1.7706 3.1175 3.1175 3.1241 3.1241 3.8168 3.8168 3.8802 3.8802 4.8060 4.8060 4.8579 4.8579 5.2703 5.2703 5.3078 5.3078 5.3675 5.3675 5.3786 5.3786 5.5537 5.5537 5.5665 5.5665 5.6099 5.6099 5.6285 5.6285 6.1816 6.1816 6.2048 6.2048 7.6012 7.6012 7.6544 7.6544 10.2294 10.2294 10.2671 10.2671 11.4607 11.4607 11.5470 11.5470 k = 0.5000 0.0932 0.3024 ( 4128 PWs) bands (ev): -6.6583 -6.6583 -6.6574 -6.6574 -3.8110 -3.8110 -3.8080 -3.8080 1.7144 1.7144 1.7542 1.7542 3.1460 3.1460 3.1617 3.1617 3.7883 3.7883 3.8583 3.8583 4.7702 4.7702 4.8226 4.8226 5.2688 5.2688 5.3112 5.3112 5.3720 5.3720 5.3909 5.3909 5.5457 5.5457 5.5482 5.5482 5.6124 5.6124 5.6293 5.6293 6.2303 6.2303 6.2472 6.2472 7.6380 7.6380 7.6931 7.6931 10.2442 10.2442 10.2870 10.2870 11.4126 11.4126 11.4892 11.4892 k = 0.5000 0.1049 0.3024 ( 4132 PWs) bands (ev): -6.6521 -6.6521 -6.6513 -6.6513 -3.8215 -3.8215 -3.8186 -3.8186 1.7011 1.7011 1.7385 1.7385 3.1722 3.1722 3.1981 3.1981 3.7586 3.7586 3.8365 3.8365 4.7370 4.7370 4.7894 4.7894 5.2652 5.2652 5.3114 5.3114 5.3762 5.3762 5.4036 5.4036 5.5261 5.5261 5.5432 5.5432 5.6157 5.6157 5.6307 5.6307 6.2816 6.2816 6.2928 6.2928 7.6762 7.6762 7.7334 7.7334 10.2550 10.2550 10.3040 10.3040 11.3709 11.3709 11.4369 11.4369 k = 0.5000 0.1166 0.3024 ( 4128 PWs) bands (ev): -6.6454 -6.6454 -6.6446 -6.6446 -3.8330 -3.8330 -3.8301 -3.8301 1.6890 1.6890 1.7240 1.7240 3.1935 3.1935 3.2305 3.2305 3.7300 3.7300 3.8167 3.8167 4.7066 4.7066 4.7587 4.7587 5.2594 5.2594 5.3090 5.3090 5.3805 5.3805 5.4159 5.4159 5.5085 5.5085 5.5388 5.5388 5.6194 5.6194 5.6325 5.6325 6.3352 6.3352 6.3413 6.3413 7.7150 7.7150 7.7744 7.7744 10.2593 10.2593 10.3151 10.3151 11.3393 11.3393 11.3943 11.3943 k = 0.5000 0.1282 0.3024 ( 4132 PWs) bands (ev): -6.6382 -6.6382 -6.6374 -6.6374 -3.8453 -3.8453 -3.8425 -3.8425 1.6783 1.6783 1.7110 1.7110 3.2072 3.2072 3.2548 3.2548 3.7064 3.7064 3.8014 3.8014 4.6794 4.6794 4.7308 4.7308 5.2516 5.2516 5.3040 5.3040 5.3851 5.3851 5.4276 5.4276 5.4931 5.4931 5.5350 5.5350 5.6234 5.6234 5.6346 5.6346 6.3909 6.3909 6.3924 6.3924 7.7535 7.7535 7.8152 7.8152 10.2541 10.2541 10.3171 10.3171 11.3216 11.3216 11.3654 11.3654 k = 0.5000 0.1399 0.3024 ( 4140 PWs) bands (ev): -6.6305 -6.6305 -6.6297 -6.6297 -3.8584 -3.8584 -3.8557 -3.8557 1.6694 1.6694 1.7000 1.7000 3.2104 3.2104 3.2660 3.2660 3.6926 3.6926 3.7934 3.7934 4.6551 4.6551 4.7057 4.7057 5.2422 5.2422 5.2968 5.2968 5.3900 5.3900 5.4382 5.4382 5.4805 5.4805 5.5319 5.5319 5.6275 5.6275 5.6371 5.6371 6.4459 6.4459 6.4487 6.4487 7.7912 7.7912 7.8552 7.8552 10.2374 10.2374 10.3071 10.3071 11.3206 11.3206 11.3539 11.3539 k = 0.5000 0.1515 0.3024 ( 4132 PWs) bands (ev): -6.6224 -6.6224 -6.6216 -6.6216 -3.8721 -3.8721 -3.8695 -3.8695 1.6628 1.6628 1.6914 1.6914 3.2012 3.2012 3.2600 3.2600 3.6928 3.6928 3.7947 3.7947 4.6339 4.6339 4.6833 4.6833 5.2316 5.2316 5.2876 5.2876 5.3951 5.3951 5.4463 5.4463 5.4718 5.4718 5.5296 5.5296 5.6317 5.6317 5.6399 5.6399 6.5016 6.5016 6.5083 6.5083 7.8272 7.8272 7.8936 7.8936 10.2082 10.2082 10.2834 10.2834 11.3379 11.3379 11.3621 11.3621 k = 0.5000 0.1632 0.3024 ( 4132 PWs) bands (ev): -6.6140 -6.6140 -6.6132 -6.6132 -3.8863 -3.8863 -3.8839 -3.8839 1.6586 1.6586 1.6853 1.6853 3.1790 3.1790 3.2359 3.2359 3.7080 3.7080 3.8059 3.8059 4.6153 4.6153 4.6635 4.6635 5.2203 5.2203 5.2767 5.2767 5.4001 5.4001 5.4478 5.4478 5.4711 5.4711 5.5280 5.5280 5.6359 5.6359 5.6431 5.6431 6.5592 6.5592 6.5696 6.5696 7.8612 7.8612 7.9299 7.9299 10.1670 10.1670 10.2459 10.2459 11.3732 11.3732 11.3901 11.3901 k = 0.5000 0.1748 0.3024 ( 4140 PWs) bands (ev): -6.6053 -6.6053 -6.6046 -6.6046 -3.9010 -3.9010 -3.8986 -3.8986 1.6572 1.6572 1.6820 1.6820 3.1448 3.1448 3.1964 3.1964 3.7356 3.7356 3.8259 3.8259 4.5990 4.5990 4.6459 4.6459 5.2084 5.2084 5.2646 5.2646 5.4047 5.4047 5.4429 5.4429 5.4777 5.4777 5.5272 5.5272 5.6402 5.6402 5.6467 5.6467 6.6186 6.6186 6.6325 6.6325 7.8927 7.8927 7.9637 7.9637 10.1153 10.1153 10.1963 10.1963 11.4252 11.4252 11.4367 11.4367 k = 0.5000 0.1865 0.3024 ( 4140 PWs) bands (ev): -6.5964 -6.5964 -6.5957 -6.5957 -3.9159 -3.9159 -3.9136 -3.9136 1.6585 1.6585 1.6817 1.6817 3.1009 3.1009 3.1458 3.1458 3.7718 3.7718 3.8532 3.8532 4.5848 4.5848 4.6302 4.6302 5.1964 5.1964 5.2516 5.2516 5.4086 5.4086 5.4366 5.4366 5.4864 5.4864 5.5272 5.5272 5.6448 5.6448 5.6508 5.6508 6.6795 6.6795 6.6967 6.6967 7.9214 7.9214 7.9947 7.9947 10.0554 10.0554 10.1369 10.1369 11.4916 11.4916 11.4992 11.4992 k = 0.5000 0.1982 0.3024 ( 4136 PWs) bands (ev): -6.5875 -6.5875 -6.5868 -6.5868 -3.9309 -3.9309 -3.9288 -3.9288 1.6629 1.6629 1.6845 1.6845 3.0493 3.0493 3.0876 3.0876 3.8131 3.8131 3.8855 3.8855 4.5723 4.5723 4.6163 4.6163 5.1846 5.1846 5.2382 5.2382 5.4115 5.4115 5.4304 5.4304 5.4954 5.4954 5.5282 5.5282 5.6495 5.6495 5.6553 5.6553 6.7417 6.7417 6.7621 6.7621 7.9470 7.9470 8.0225 8.0225 9.9894 9.9894 10.0703 10.0703 11.5701 11.5701 11.5750 11.5750 k = 0.5000 0.2098 0.3024 ( 4136 PWs) bands (ev): -6.5785 -6.5785 -6.5779 -6.5779 -3.9459 -3.9459 -3.9439 -3.9439 1.6705 1.6705 1.6905 1.6905 2.9920 2.9920 3.0243 3.0243 3.8573 3.8573 3.9212 3.9212 4.5612 4.5612 4.6036 4.6036 5.1730 5.1730 5.2247 5.2247 5.4132 5.4132 5.4243 5.4243 5.5040 5.5040 5.5300 5.5300 5.6545 5.6545 5.6602 5.6602 6.8050 6.8050 6.8283 6.8283 7.9695 7.9695 8.0471 8.0471 9.9194 9.9194 9.9989 9.9989 11.6584 11.6584 11.6614 11.6614 k = 0.5000 0.2215 0.3024 ( 4136 PWs) bands (ev): -6.5696 -6.5696 -6.5690 -6.5690 -3.9608 -3.9608 -3.9589 -3.9589 1.6812 1.6812 1.6998 1.6998 2.9308 2.9308 2.9578 2.9578 3.9027 3.9027 3.9589 3.9589 4.5512 4.5512 4.5919 4.5919 5.1619 5.1619 5.2112 5.2112 5.4137 5.4137 5.4186 5.4186 5.5121 5.5121 5.5326 5.5326 5.6599 5.6599 5.6657 5.6657 6.8690 6.8690 6.8952 6.8952 7.9888 7.9888 8.0683 8.0683 9.8472 9.8472 9.9247 9.9247 11.7543 11.7543 11.7560 11.7560 k = 0.5000 0.2331 0.3024 ( 4136 PWs) bands (ev): -6.5609 -6.5609 -6.5603 -6.5603 -3.9753 -3.9753 -3.9735 -3.9735 1.6952 1.6952 1.7125 1.7125 2.8668 2.8668 2.8894 2.8894 3.9481 3.9481 3.9973 3.9973 4.5420 4.5420 4.5810 4.5810 5.1513 5.1513 5.1980 5.1980 5.4130 5.4130 5.4131 5.4131 5.5197 5.5197 5.5358 5.5358 5.6657 5.6657 5.6716 5.6716 6.9335 6.9335 6.9623 6.9623 8.0049 8.0049 8.0860 8.0860 9.7742 9.7742 9.8492 9.8492 11.8558 11.8558 11.8564 11.8564 k = 0.5000 0.2448 0.3024 ( 4140 PWs) bands (ev): -6.5525 -6.5525 -6.5519 -6.5519 -3.9893 -3.9893 -3.9877 -3.9877 1.7125 1.7125 1.7285 1.7285 2.8012 2.8012 2.8198 2.8198 3.9930 3.9930 4.0356 4.0356 4.5334 4.5334 4.5705 4.5705 5.1415 5.1415 5.1853 5.1853 5.4078 5.4078 5.4112 5.4112 5.5266 5.5266 5.5393 5.5393 5.6718 5.6718 5.6778 5.6778 6.9979 6.9979 7.0293 7.0293 8.0177 8.0177 8.1002 8.1002 9.7016 9.7016 9.7739 9.7739 11.9608 11.9608 11.9610 11.9610 k = 0.5000 0.2564 0.3024 ( 4140 PWs) bands (ev): -6.5443 -6.5443 -6.5438 -6.5438 -4.0028 -4.0028 -4.0013 -4.0013 1.7332 1.7332 1.7479 1.7479 2.7346 2.7346 2.7500 2.7500 4.0366 4.0366 4.0733 4.0733 4.5252 4.5252 4.5603 4.5603 5.1325 5.1325 5.1731 5.1731 5.4028 5.4028 5.4086 5.4086 5.5327 5.5327 5.5429 5.5429 5.6783 5.6783 5.6843 5.6843 7.0620 7.0620 7.0956 7.0956 8.0276 8.0276 8.1109 8.1109 9.6307 9.6307 9.6998 9.6998 12.0670 12.0670 12.0678 12.0678 k = 0.5000 0.2681 0.3024 ( 4136 PWs) bands (ev): -6.5367 -6.5367 -6.5362 -6.5362 -4.0154 -4.0154 -4.0141 -4.0141 1.7571 1.7571 1.7706 1.7706 2.6679 2.6679 2.6803 2.6803 4.0787 4.0787 4.1098 4.1098 4.5171 4.5171 4.5501 4.5501 5.1243 5.1243 5.1616 5.1616 5.3980 5.3980 5.4055 5.4055 5.5381 5.5381 5.5463 5.5463 5.6850 5.6850 5.6909 5.6909 7.1252 7.1252 7.1607 7.1607 8.0346 8.0346 8.1181 8.1181 9.5625 9.5625 9.6280 9.6280 12.1730 12.1730 12.1743 12.1743 k = 0.5000 0.2797 0.3024 ( 4132 PWs) bands (ev): -6.5295 -6.5295 -6.5291 -6.5291 -4.0272 -4.0272 -4.0260 -4.0260 1.7844 1.7844 1.7967 1.7967 2.6013 2.6013 2.6112 2.6112 4.1188 4.1188 4.1448 4.1448 4.5090 4.5090 4.5397 4.5397 5.1171 5.1171 5.1509 5.1509 5.3936 5.3936 5.4018 5.4018 5.5429 5.5429 5.5496 5.5496 5.6918 5.6918 5.6974 5.6974 7.1868 7.1868 7.2239 7.2239 8.0391 8.0391 8.1219 8.1219 9.4980 9.4980 9.5594 9.5594 12.2767 12.2767 12.2783 12.2783 k = 0.5000 0.2914 0.3024 ( 4140 PWs) bands (ev): -6.5230 -6.5230 -6.5226 -6.5226 -4.0379 -4.0379 -4.0368 -4.0368 1.8149 1.8149 1.8261 1.8261 2.5355 2.5355 2.5432 2.5432 4.1565 4.1565 4.1777 4.1777 4.5007 4.5007 4.5290 4.5290 5.1109 5.1109 5.1409 5.1409 5.3896 5.3896 5.3980 5.3980 5.5469 5.5469 5.5524 5.5524 5.6984 5.6984 5.7037 5.7037 7.2463 7.2463 7.2842 7.2842 8.0413 8.0413 8.1223 8.1223 9.4383 9.4383 9.4950 9.4950 12.3759 12.3759 12.3777 12.3777 k = 0.5000 0.3031 0.3024 ( 4148 PWs) bands (ev): -6.5171 -6.5171 -6.5168 -6.5168 -4.0474 -4.0474 -4.0465 -4.0465 1.8487 1.8487 1.8588 1.8588 2.4708 2.4708 2.4764 2.4764 4.1917 4.1917 4.2084 4.2084 4.4923 4.4923 4.5178 4.5178 5.1057 5.1057 5.1319 5.1319 5.3860 5.3860 5.3941 5.3941 5.5503 5.5503 5.5548 5.5548 5.7047 5.7047 5.7095 5.7095 7.3026 7.3026 7.3406 7.3406 8.0419 8.0419 8.1194 8.1194 9.3844 9.3844 9.4357 9.4357 12.4683 12.4683 12.4701 12.4701 k = 0.5000 0.3147 0.3024 ( 4156 PWs) bands (ev): -6.5120 -6.5120 -6.5118 -6.5118 -4.0557 -4.0557 -4.0550 -4.0550 1.8857 1.8857 1.8946 1.8946 2.4074 2.4074 2.4113 2.4113 4.2239 4.2239 4.2365 4.2365 4.4837 4.4837 4.5063 4.5063 5.1016 5.1016 5.1237 5.1237 5.3831 5.3831 5.3904 5.3904 5.5532 5.5532 5.5567 5.5567 5.7105 5.7105 5.7147 5.7147 7.3550 7.3550 7.3917 7.3917 8.0415 8.0415 8.1133 8.1133 9.3374 9.3374 9.3823 9.3823 12.5517 12.5517 12.5532 12.5532 k = 0.5000 0.3264 0.3024 ( 4148 PWs) bands (ev): -6.5078 -6.5078 -6.5075 -6.5075 -4.0626 -4.0626 -4.0620 -4.0620 1.9257 1.9257 1.9336 1.9336 2.3458 2.3458 2.3480 2.3480 4.2528 4.2528 4.2616 4.2616 4.4753 4.4753 4.4946 4.4946 5.0987 5.0987 5.1166 5.1166 5.3807 5.3807 5.3870 5.3870 5.5555 5.5555 5.5582 5.5582 5.7157 5.7157 5.7192 5.7192 7.4023 7.4023 7.4360 7.4360 8.0410 8.0410 8.1045 8.1045 9.2983 9.2983 9.3359 9.3359 12.6236 12.6236 12.6248 12.6248 k = 0.5000 0.3380 0.3024 ( 4160 PWs) bands (ev): -6.5044 -6.5044 -6.5042 -6.5042 -4.0681 -4.0681 -4.0676 -4.0676 1.9688 1.9688 1.9755 1.9755 2.2860 2.2860 2.2867 2.2867 4.2775 4.2775 4.2830 4.2830 4.4674 4.4674 4.4829 4.4829 5.0969 5.0969 5.1104 5.1104 5.3790 5.3790 5.3839 5.3839 5.5572 5.5572 5.5592 5.5592 5.7200 5.7200 5.7227 5.7227 7.4430 7.4430 7.4716 7.4716 8.0415 8.0415 8.0935 8.0935 9.2681 9.2681 9.2974 9.2974 12.6821 12.6821 12.6830 12.6830 k = 0.5000 0.3497 0.3024 ( 4164 PWs) bands (ev): -6.5019 -6.5019 -6.5018 -6.5018 -4.0720 -4.0720 -4.0717 -4.0717 2.0147 2.0147 2.0203 2.0203 2.2277 2.2277 2.2284 2.2284 4.2970 4.2970 4.3000 4.3000 4.4610 4.4610 4.4721 4.4721 5.0963 5.0963 5.1053 5.1053 5.3780 5.3780 5.3814 5.3814 5.5586 5.5586 5.5599 5.5599 5.7233 5.7233 5.7251 5.7251 7.4757 7.4757 7.4967 7.4967 8.0440 8.0440 8.0812 8.0812 9.2475 9.2475 9.2676 9.2676 12.7254 12.7254 12.7259 12.7259 k = 0.5000 0.3613 0.3024 ( 4168 PWs) bands (ev): -6.5004 -6.5004 -6.5004 -6.5004 -4.0743 -4.0743 -4.0742 -4.0742 2.0632 2.0632 2.0676 2.0676 2.1714 2.1714 2.1734 2.1734 4.3099 4.3099 4.3111 4.3111 4.4575 4.4575 4.4633 4.4633 5.0968 5.0968 5.1013 5.1013 5.3778 5.3778 5.3795 5.3795 5.5595 5.5595 5.5602 5.5602 5.7255 5.7255 5.7264 5.7264 7.4988 7.4988 7.5099 7.5099 8.0494 8.0494 8.0689 8.0689 9.2370 9.2370 9.2473 9.2473 12.7520 12.7520 12.7522 12.7522 k = 0.5000 0.3730 0.3024 ( 4168 PWs) bands (ev): -6.4999 -6.4999 -6.4999 -6.4999 -4.0750 -4.0750 -4.0750 -4.0750 2.1067 2.1067 2.1067 2.1067 2.1285 2.1285 2.1285 2.1285 4.3147 4.3147 4.3147 4.3147 4.4581 4.4581 4.4581 4.4581 5.0985 5.0985 5.0985 5.0985 5.3783 5.3783 5.3783 5.3783 5.5601 5.5601 5.5601 5.5601 5.7266 5.7266 5.7266 5.7266 7.5105 7.5105 7.5105 7.5105 8.0579 8.0579 8.0579 8.0579 9.2370 9.2370 9.2370 9.2370 12.7610 12.7610 12.7610 12.7610 k = 0.5000 0.3730 0.3024 ( 4168 PWs) bands (ev): -6.4999 -6.4999 -6.4999 -6.4999 -4.0750 -4.0750 -4.0750 -4.0750 2.1067 2.1067 2.1067 2.1067 2.1285 2.1285 2.1285 2.1285 4.3147 4.3147 4.3147 4.3147 4.4581 4.4581 4.4581 4.4581 5.0985 5.0985 5.0985 5.0985 5.3783 5.3783 5.3783 5.3783 5.5601 5.5601 5.5601 5.5601 5.7266 5.7266 5.7266 5.7266 7.5105 7.5105 7.5105 7.5105 8.0579 8.0579 8.0579 8.0579 9.2370 9.2370 9.2370 9.2370 12.7610 12.7610 12.7610 12.7610 k = 0.4881 0.3730 0.3024 ( 4164 PWs) bands (ev): -6.5004 -6.5004 -6.5004 -6.5004 -4.0760 -4.0760 -4.0760 -4.0760 2.1082 2.1082 2.1082 2.1082 2.1300 2.1300 2.1300 2.1300 4.3150 4.3150 4.3150 4.3150 4.4585 4.4585 4.4585 4.4585 5.0990 5.0990 5.0990 5.0990 5.3783 5.3783 5.3783 5.3783 5.5599 5.5599 5.5599 5.5599 5.7263 5.7263 5.7263 5.7263 7.5096 7.5096 7.5096 7.5096 8.0569 8.0569 8.0569 8.0569 9.2398 9.2398 9.2398 9.2398 12.7602 12.7602 12.7602 12.7602 k = 0.4762 0.3730 0.3024 ( 4164 PWs) bands (ev): -6.5017 -6.5017 -6.5017 -6.5017 -4.0787 -4.0787 -4.0787 -4.0787 2.1128 2.1128 2.1128 2.1128 2.1347 2.1347 2.1347 2.1347 4.3159 4.3159 4.3159 4.3159 4.4597 4.4597 4.4597 4.4597 5.1007 5.1007 5.1007 5.1007 5.3784 5.3784 5.3784 5.3784 5.5593 5.5593 5.5593 5.5593 5.7255 5.7255 5.7255 5.7255 7.5069 7.5069 7.5069 7.5069 8.0540 8.0540 8.0540 8.0540 9.2483 9.2483 9.2483 9.2483 12.7580 12.7580 12.7580 12.7580 k = 0.4643 0.3730 0.3024 ( 4156 PWs) bands (ev): -6.5040 -6.5040 -6.5040 -6.5040 -4.0833 -4.0833 -4.0833 -4.0833 2.1203 2.1203 2.1203 2.1203 2.1423 2.1423 2.1423 2.1423 4.3175 4.3175 4.3175 4.3175 4.4619 4.4619 4.4619 4.4619 5.1035 5.1035 5.1035 5.1035 5.3785 5.3785 5.3785 5.3785 5.5585 5.5585 5.5585 5.5585 5.7243 5.7243 5.7243 5.7243 7.5024 7.5024 7.5024 7.5024 8.0492 8.0492 8.0492 8.0492 9.2622 9.2622 9.2622 9.2622 12.7544 12.7544 12.7544 12.7544 k = 0.4524 0.3730 0.3024 ( 4152 PWs) bands (ev): -6.5071 -6.5071 -6.5071 -6.5071 -4.0897 -4.0897 -4.0897 -4.0897 2.1308 2.1308 2.1308 2.1308 2.1529 2.1529 2.1529 2.1529 4.3195 4.3195 4.3195 4.3195 4.4650 4.4650 4.4650 4.4650 5.1075 5.1075 5.1075 5.1075 5.3786 5.3786 5.3786 5.3786 5.5573 5.5573 5.5573 5.5573 5.7227 5.7227 5.7227 5.7227 7.4962 7.4962 7.4962 7.4962 8.0425 8.0425 8.0425 8.0425 9.2815 9.2815 9.2815 9.2815 12.7494 12.7494 12.7494 12.7494 k = 0.4405 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.5112 -6.5112 -6.5112 -6.5112 -4.0978 -4.0978 -4.0978 -4.0978 2.1442 2.1442 2.1442 2.1442 2.1662 2.1662 2.1662 2.1662 4.3220 4.3220 4.3220 4.3220 4.4692 4.4692 4.4692 4.4692 5.1126 5.1126 5.1126 5.1126 5.3787 5.3787 5.3787 5.3787 5.5560 5.5560 5.5560 5.5560 5.7207 5.7207 5.7207 5.7207 7.4886 7.4886 7.4886 7.4886 8.0339 8.0339 8.0339 8.0339 9.3058 9.3058 9.3058 9.3058 12.7432 12.7432 12.7432 12.7432 k = 0.4286 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.5160 -6.5160 -6.5160 -6.5160 -4.1076 -4.1076 -4.1076 -4.1076 2.1603 2.1603 2.1603 2.1603 2.1822 2.1822 2.1822 2.1822 4.3248 4.3248 4.3248 4.3248 4.4748 4.4748 4.4748 4.4748 5.1190 5.1190 5.1190 5.1190 5.3788 5.3788 5.3788 5.3788 5.5544 5.5544 5.5544 5.5544 5.7185 5.7185 5.7185 5.7185 7.4797 7.4797 7.4797 7.4797 8.0234 8.0234 8.0234 8.0234 9.3348 9.3348 9.3348 9.3348 12.7359 12.7359 12.7359 12.7359 k = 0.4167 0.3730 0.3024 ( 4140 PWs) bands (ev): -6.5216 -6.5216 -6.5216 -6.5216 -4.1190 -4.1190 -4.1190 -4.1190 2.1790 2.1790 2.1790 2.1790 2.2005 2.2005 2.2005 2.2005 4.3278 4.3278 4.3278 4.3278 4.4818 4.4818 4.4818 4.4818 5.1266 5.1266 5.1266 5.1266 5.3789 5.3789 5.3789 5.3789 5.5528 5.5528 5.5528 5.5528 5.7161 5.7161 5.7161 5.7161 7.4696 7.4696 7.4696 7.4696 8.0111 8.0111 8.0111 8.0111 9.3682 9.3682 9.3682 9.3682 12.7278 12.7278 12.7278 12.7278 k = 0.4048 0.3730 0.3024 ( 4152 PWs) bands (ev): -6.5281 -6.5281 -6.5281 -6.5281 -4.1318 -4.1318 -4.1318 -4.1318 2.2000 2.2000 2.2000 2.2000 2.2211 2.2211 2.2211 2.2211 4.3310 4.3310 4.3310 4.3310 4.4906 4.4906 4.4906 4.4906 5.1355 5.1355 5.1355 5.1355 5.3789 5.3789 5.3789 5.3789 5.5511 5.5511 5.5511 5.5511 5.7136 5.7136 5.7136 5.7136 7.4586 7.4586 7.4586 7.4586 7.9971 7.9971 7.9971 7.9971 9.4055 9.4055 9.4055 9.4055 12.7190 12.7190 12.7190 12.7190 k = 0.3929 0.3730 0.3024 ( 4152 PWs) bands (ev): -6.5352 -6.5352 -6.5352 -6.5352 -4.1460 -4.1460 -4.1460 -4.1460 2.2231 2.2231 2.2231 2.2231 2.2437 2.2437 2.2437 2.2437 4.3342 4.3342 4.3342 4.3342 4.5013 4.5013 4.5013 4.5013 5.1458 5.1458 5.1458 5.1458 5.3788 5.3788 5.3788 5.3788 5.5497 5.5497 5.5497 5.5497 5.7112 5.7112 5.7112 5.7112 7.4468 7.4468 7.4468 7.4468 7.9814 7.9814 7.9814 7.9814 9.4463 9.4463 9.4463 9.4463 12.7096 12.7096 12.7096 12.7096 k = 0.3810 0.3730 0.3024 ( 4152 PWs) bands (ev): -6.5430 -6.5430 -6.5430 -6.5430 -4.1615 -4.1615 -4.1615 -4.1615 2.2479 2.2479 2.2479 2.2479 2.2683 2.2683 2.2683 2.2683 4.3372 4.3372 4.3372 4.3372 4.5143 4.5143 4.5143 4.5143 5.1573 5.1573 5.1573 5.1573 5.3788 5.3788 5.3788 5.3788 5.5486 5.5486 5.5486 5.5486 5.7091 5.7091 5.7091 5.7091 7.4344 7.4344 7.4344 7.4344 7.9641 7.9641 7.9641 7.9641 9.4901 9.4901 9.4901 9.4901 12.6999 12.6999 12.6999 12.6999 k = 0.3690 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.5514 -6.5514 -6.5514 -6.5514 -4.1781 -4.1781 -4.1781 -4.1781 2.2737 2.2737 2.2737 2.2737 2.2950 2.2950 2.2950 2.2950 4.3399 4.3399 4.3399 4.3399 4.5297 4.5297 4.5297 4.5297 5.1700 5.1700 5.1700 5.1700 5.3786 5.3786 5.3786 5.3786 5.5482 5.5482 5.5482 5.5482 5.7074 5.7074 5.7074 5.7074 7.4215 7.4215 7.4215 7.4215 7.9452 7.9452 7.9452 7.9452 9.5365 9.5365 9.5365 9.5365 12.6900 12.6900 12.6900 12.6900 k = 0.3571 0.3730 0.3024 ( 4152 PWs) bands (ev): -6.5604 -6.5604 -6.5604 -6.5604 -4.1957 -4.1957 -4.1957 -4.1957 2.3000 2.3000 2.3000 2.3000 2.3237 2.3237 2.3237 2.3237 4.3421 4.3421 4.3421 4.3421 4.5479 4.5479 4.5479 4.5479 5.1837 5.1837 5.1837 5.1837 5.3785 5.3785 5.3785 5.3785 5.5485 5.5485 5.5485 5.5485 5.7062 5.7062 5.7062 5.7062 7.4084 7.4084 7.4084 7.4084 7.9249 7.9249 7.9249 7.9249 9.5850 9.5850 9.5850 9.5850 12.6801 12.6801 12.6801 12.6801 k = 0.3452 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.5699 -6.5699 -6.5699 -6.5699 -4.2143 -4.2143 -4.2143 -4.2143 2.3260 2.3260 2.3260 2.3260 2.3547 2.3547 2.3547 2.3547 4.3437 4.3437 4.3437 4.3437 4.5689 4.5689 4.5689 4.5689 5.1983 5.1983 5.1983 5.1983 5.3785 5.3785 5.3785 5.3785 5.5501 5.5501 5.5501 5.5501 5.7059 5.7059 5.7059 5.7059 7.3951 7.3951 7.3951 7.3951 7.9034 7.9034 7.9034 7.9034 9.6352 9.6352 9.6352 9.6352 12.6703 12.6703 12.6703 12.6703 k = 0.3333 0.3730 0.3024 ( 4152 PWs) bands (ev): -6.5798 -6.5798 -6.5798 -6.5798 -4.2336 -4.2336 -4.2336 -4.2336 2.3515 2.3515 2.3515 2.3515 2.3878 2.3878 2.3878 2.3878 4.3445 4.3445 4.3445 4.3445 4.5932 4.5932 4.5932 4.5932 5.2132 5.2132 5.2132 5.2132 5.3787 5.3787 5.3787 5.3787 5.5531 5.5531 5.5531 5.5531 5.7067 5.7067 5.7067 5.7067 7.3817 7.3817 7.3817 7.3817 7.8806 7.8806 7.8806 7.8806 9.6866 9.6866 9.6866 9.6866 12.6607 12.6607 12.6607 12.6607 k = 0.3214 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.5901 -6.5901 -6.5901 -6.5901 -4.2535 -4.2535 -4.2535 -4.2535 2.3761 2.3761 2.3761 2.3761 2.4226 2.4226 2.4226 2.4226 4.3445 4.3445 4.3445 4.3445 4.6207 4.6207 4.6207 4.6207 5.2279 5.2279 5.2279 5.2279 5.3793 5.3793 5.3793 5.3793 5.5581 5.5581 5.5581 5.5581 5.7089 5.7089 5.7089 5.7089 7.3684 7.3684 7.3684 7.3684 7.8568 7.8568 7.8568 7.8568 9.7387 9.7387 9.7387 9.7387 12.6513 12.6513 12.6513 12.6513 k = 0.3095 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.6007 -6.6007 -6.6007 -6.6007 -4.2739 -4.2739 -4.2739 -4.2739 2.3995 2.3995 2.3995 2.3995 2.4589 2.4589 2.4589 2.4589 4.3435 4.3435 4.3435 4.3435 4.6515 4.6515 4.6515 4.6515 5.2419 5.2419 5.2419 5.2419 5.3804 5.3804 5.3804 5.3804 5.5653 5.5653 5.5653 5.5653 5.7129 5.7129 5.7129 5.7129 7.3552 7.3552 7.3552 7.3552 7.8320 7.8320 7.8320 7.8320 9.7910 9.7910 9.7910 9.7910 12.6421 12.6421 12.6421 12.6421 k = 0.2976 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.6116 -6.6116 -6.6116 -6.6116 -4.2947 -4.2947 -4.2947 -4.2947 2.4216 2.4216 2.4216 2.4216 2.4963 2.4963 2.4963 2.4963 4.3415 4.3415 4.3415 4.3415 4.6856 4.6856 4.6856 4.6856 5.2543 5.2543 5.2543 5.2543 5.3822 5.3822 5.3822 5.3822 5.5752 5.5752 5.5752 5.5752 5.7193 5.7193 5.7193 5.7193 7.3421 7.3421 7.3421 7.3421 7.8066 7.8066 7.8066 7.8066 9.8432 9.8432 9.8432 9.8432 12.6332 12.6332 12.6332 12.6332 k = 0.2857 0.3730 0.3024 ( 4140 PWs) bands (ev): -6.6227 -6.6227 -6.6227 -6.6227 -4.3157 -4.3157 -4.3157 -4.3157 2.4422 2.4422 2.4422 2.4422 2.5347 2.5347 2.5347 2.5347 4.3383 4.3383 4.3383 4.3383 4.7230 4.7230 4.7230 4.7230 5.2647 5.2647 5.2647 5.2647 5.3847 5.3847 5.3847 5.3847 5.5877 5.5877 5.5877 5.5877 5.7289 5.7289 5.7289 5.7289 7.3292 7.3292 7.3292 7.3292 7.7806 7.7806 7.7806 7.7806 9.8948 9.8948 9.8948 9.8948 12.6243 12.6243 12.6243 12.6243 k = 0.2738 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.6339 -6.6339 -6.6339 -6.6339 -4.3368 -4.3368 -4.3368 -4.3368 2.4612 2.4612 2.4612 2.4612 2.5738 2.5738 2.5738 2.5738 4.3340 4.3340 4.3340 4.3340 4.7633 4.7633 4.7633 4.7633 5.2727 5.2727 5.2727 5.2727 5.3878 5.3878 5.3878 5.3878 5.6026 5.6026 5.6026 5.6026 5.7425 5.7425 5.7425 5.7425 7.3165 7.3165 7.3165 7.3165 7.7542 7.7542 7.7542 7.7542 9.9454 9.9454 9.9454 9.9454 12.6154 12.6154 12.6154 12.6154 k = 0.2619 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.6452 -6.6452 -6.6452 -6.6452 -4.3579 -4.3579 -4.3579 -4.3579 2.4784 2.4784 2.4784 2.4784 2.6132 2.6132 2.6132 2.6132 4.3286 4.3286 4.3286 4.3286 4.8063 4.8063 4.8063 4.8063 5.2784 5.2784 5.2784 5.2784 5.3913 5.3913 5.3913 5.3913 5.6193 5.6193 5.6193 5.6193 5.7614 5.7614 5.7614 5.7614 7.3040 7.3040 7.3040 7.3040 7.7275 7.7275 7.7275 7.7275 9.9946 9.9946 9.9946 9.9946 12.6063 12.6063 12.6063 12.6063 k = 0.2500 0.3730 0.3024 ( 4160 PWs) bands (ev): -6.6565 -6.6565 -6.6565 -6.6565 -4.3789 -4.3789 -4.3789 -4.3789 2.4937 2.4937 2.4937 2.4937 2.6529 2.6529 2.6529 2.6529 4.3221 4.3221 4.3221 4.3221 4.8513 4.8513 4.8513 4.8513 5.2821 5.2821 5.2821 5.2821 5.3950 5.3950 5.3950 5.3950 5.6369 5.6369 5.6369 5.6369 5.7864 5.7864 5.7864 5.7864 7.2918 7.2918 7.2918 7.2918 7.7009 7.7009 7.7009 7.7009 10.0421 10.0421 10.0421 10.0421 12.5967 12.5967 12.5967 12.5967 k = 0.2381 0.3730 0.3024 ( 4156 PWs) bands (ev): -6.6677 -6.6677 -6.6677 -6.6677 -4.3997 -4.3997 -4.3997 -4.3997 2.5072 2.5072 2.5072 2.5072 2.6926 2.6926 2.6926 2.6926 4.3145 4.3145 4.3145 4.3145 4.8977 4.8977 4.8977 4.8977 5.2844 5.2844 5.2844 5.2844 5.3988 5.3988 5.3988 5.3988 5.6551 5.6551 5.6551 5.6551 5.8181 5.8181 5.8181 5.8181 7.2798 7.2798 7.2798 7.2798 7.6745 7.6745 7.6745 7.6745 10.0876 10.0876 10.0876 10.0876 12.5863 12.5863 12.5863 12.5863 k = 0.2262 0.3730 0.3024 ( 4160 PWs) bands (ev): -6.6787 -6.6787 -6.6787 -6.6787 -4.4201 -4.4201 -4.4201 -4.4201 2.5189 2.5189 2.5189 2.5189 2.7320 2.7320 2.7320 2.7320 4.3059 4.3059 4.3059 4.3059 4.9445 4.9445 4.9445 4.9445 5.2858 5.2858 5.2858 5.2858 5.4026 5.4026 5.4026 5.4026 5.6742 5.6742 5.6742 5.6742 5.8561 5.8561 5.8561 5.8561 7.2681 7.2681 7.2681 7.2681 7.6485 7.6485 7.6485 7.6485 10.1307 10.1307 10.1307 10.1307 12.5749 12.5749 12.5749 12.5749 k = 0.2143 0.3730 0.3024 ( 4156 PWs) bands (ev): -6.6896 -6.6896 -6.6896 -6.6896 -4.4400 -4.4400 -4.4400 -4.4400 2.5288 2.5288 2.5288 2.5288 2.7710 2.7710 2.7710 2.7710 4.2964 4.2964 4.2964 4.2964 4.9906 4.9906 4.9906 4.9906 5.2868 5.2868 5.2868 5.2868 5.4065 5.4065 5.4065 5.4065 5.6946 5.6946 5.6946 5.6946 5.8998 5.8998 5.8998 5.8998 7.2566 7.2566 7.2566 7.2566 7.6232 7.6232 7.6232 7.6232 10.1712 10.1712 10.1712 10.1712 12.5619 12.5619 12.5619 12.5619 k = 0.2024 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.7003 -6.7003 -6.7003 -6.7003 -4.4594 -4.4594 -4.4594 -4.4594 2.5370 2.5370 2.5370 2.5370 2.8094 2.8094 2.8094 2.8094 4.2862 4.2862 4.2862 4.2862 5.0344 5.0344 5.0344 5.0344 5.2882 5.2882 5.2882 5.2882 5.4105 5.4105 5.4105 5.4105 5.7173 5.7173 5.7173 5.7173 5.9482 5.9482 5.9482 5.9482 7.2454 7.2454 7.2454 7.2454 7.5986 7.5986 7.5986 7.5986 10.2090 10.2090 10.2090 10.2090 12.5473 12.5473 12.5473 12.5473 k = 0.1905 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.7106 -6.7106 -6.7106 -6.7106 -4.4782 -4.4782 -4.4782 -4.4782 2.5437 2.5437 2.5437 2.5437 2.8470 2.8470 2.8470 2.8470 4.2752 4.2752 4.2752 4.2752 5.0746 5.0746 5.0746 5.0746 5.2903 5.2903 5.2903 5.2903 5.4148 5.4148 5.4148 5.4148 5.7433 5.7433 5.7433 5.7433 6.0001 6.0001 6.0001 6.0001 7.2344 7.2344 7.2344 7.2344 7.5751 7.5751 7.5751 7.5751 10.2439 10.2439 10.2439 10.2439 12.5306 12.5306 12.5306 12.5306 k = 0.1786 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.7206 -6.7206 -6.7206 -6.7206 -4.4962 -4.4962 -4.4962 -4.4962 2.5490 2.5490 2.5490 2.5490 2.8837 2.8837 2.8837 2.8837 4.2636 4.2636 4.2636 4.2636 5.1095 5.1095 5.1095 5.1095 5.2939 5.2939 5.2939 5.2939 5.4196 5.4196 5.4196 5.4196 5.7733 5.7733 5.7733 5.7733 6.0548 6.0548 6.0548 6.0548 7.2237 7.2237 7.2237 7.2237 7.5529 7.5529 7.5529 7.5529 10.2758 10.2758 10.2758 10.2758 12.5116 12.5116 12.5116 12.5116 k = 0.1667 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.7302 -6.7302 -6.7302 -6.7302 -4.5135 -4.5135 -4.5135 -4.5135 2.5531 2.5531 2.5531 2.5531 2.9191 2.9191 2.9191 2.9191 4.2516 4.2516 4.2516 4.2516 5.1377 5.1377 5.1377 5.1377 5.2993 5.2993 5.2993 5.2993 5.4250 5.4250 5.4250 5.4250 5.8079 5.8079 5.8079 5.8079 6.1111 6.1111 6.1111 6.1111 7.2132 7.2132 7.2132 7.2132 7.5321 7.5321 7.5321 7.5321 10.3046 10.3046 10.3046 10.3046 12.4902 12.4902 12.4902 12.4902 k = 0.1548 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.7393 -6.7393 -6.7393 -6.7393 -4.5298 -4.5298 -4.5298 -4.5298 2.5560 2.5560 2.5560 2.5560 2.9533 2.9533 2.9533 2.9533 4.2394 4.2394 4.2394 4.2394 5.1589 5.1589 5.1589 5.1589 5.3065 5.3065 5.3065 5.3065 5.4308 5.4308 5.4308 5.4308 5.8473 5.8473 5.8473 5.8473 6.1682 6.1682 6.1682 6.1682 7.2032 7.2032 7.2032 7.2032 7.5129 7.5129 7.5129 7.5129 10.3303 10.3303 10.3303 10.3303 12.4665 12.4665 12.4665 12.4665 k = 0.1429 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.7480 -6.7480 -6.7480 -6.7480 -4.5453 -4.5453 -4.5453 -4.5453 2.5580 2.5580 2.5580 2.5580 2.9859 2.9859 2.9859 2.9859 4.2271 4.2271 4.2271 4.2271 5.1734 5.1734 5.1734 5.1734 5.3150 5.3150 5.3150 5.3150 5.4372 5.4372 5.4372 5.4372 5.8912 5.8912 5.8912 5.8912 6.2251 6.2251 6.2251 6.2251 7.1935 7.1935 7.1935 7.1935 7.4955 7.4955 7.4955 7.4955 10.3530 10.3530 10.3530 10.3530 12.4406 12.4406 12.4406 12.4406 k = 0.1310 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.7561 -6.7561 -6.7561 -6.7561 -4.5597 -4.5597 -4.5597 -4.5597 2.5592 2.5592 2.5592 2.5592 3.0168 3.0168 3.0168 3.0168 4.2147 4.2147 4.2147 4.2147 5.1826 5.1826 5.1826 5.1826 5.3235 5.3235 5.3235 5.3235 5.4439 5.4439 5.4439 5.4439 5.9388 5.9388 5.9388 5.9388 6.2808 6.2808 6.2808 6.2808 7.1844 7.1844 7.1844 7.1844 7.4800 7.4800 7.4800 7.4800 10.3727 10.3727 10.3727 10.3727 12.4129 12.4129 12.4129 12.4129 k = 0.1190 0.3730 0.3024 ( 4152 PWs) bands (ev): -6.7637 -6.7637 -6.7637 -6.7637 -4.5730 -4.5730 -4.5730 -4.5730 2.5598 2.5598 2.5598 2.5598 3.0459 3.0459 3.0459 3.0459 4.2026 4.2026 4.2026 4.2026 5.1880 5.1880 5.1880 5.1880 5.3315 5.3315 5.3315 5.3315 5.4507 5.4507 5.4507 5.4507 5.9892 5.9892 5.9892 5.9892 6.3343 6.3343 6.3343 6.3343 7.1759 7.1759 7.1759 7.1759 7.4665 7.4665 7.4665 7.4665 10.3895 10.3895 10.3895 10.3895 12.3838 12.3838 12.3838 12.3838 k = 0.1071 0.3730 0.3024 ( 4148 PWs) bands (ev): -6.7706 -6.7706 -6.7706 -6.7706 -4.5852 -4.5852 -4.5852 -4.5852 2.5599 2.5599 2.5599 2.5599 3.0730 3.0730 3.0730 3.0730 4.1908 4.1908 4.1908 4.1908 5.1911 5.1911 5.1911 5.1911 5.3383 5.3383 5.3383 5.3383 5.4571 5.4571 5.4571 5.4571 6.0410 6.0410 6.0410 6.0410 6.3847 6.3847 6.3847 6.3847 7.1682 7.1682 7.1682 7.1682 7.4552 7.4552 7.4552 7.4552 10.4037 10.4037 10.4037 10.4037 12.3541 12.3541 12.3541 12.3541 k = 0.0952 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.7769 -6.7769 -6.7769 -6.7769 -4.5963 -4.5963 -4.5963 -4.5963 2.5597 2.5597 2.5597 2.5597 3.0979 3.0979 3.0979 3.0979 4.1796 4.1796 4.1796 4.1796 5.1925 5.1925 5.1925 5.1925 5.3441 5.3441 5.3441 5.3441 5.4630 5.4630 5.4630 5.4630 6.0929 6.0929 6.0929 6.0929 6.4309 6.4309 6.4309 6.4309 7.1614 7.1614 7.1614 7.1614 7.4459 7.4459 7.4459 7.4459 10.4153 10.4153 10.4153 10.4153 12.3244 12.3244 12.3244 12.3244 k = 0.0833 0.3730 0.3024 ( 4140 PWs) bands (ev): -6.7825 -6.7825 -6.7825 -6.7825 -4.6062 -4.6062 -4.6062 -4.6062 2.5592 2.5592 2.5592 2.5592 3.1204 3.1204 3.1204 3.1204 4.1691 4.1691 4.1691 4.1691 5.1929 5.1929 5.1929 5.1929 5.3487 5.3487 5.3487 5.3487 5.4684 5.4684 5.4684 5.4684 6.1434 6.1434 6.1434 6.1434 6.4722 6.4722 6.4722 6.4722 7.1556 7.1556 7.1556 7.1556 7.4387 7.4387 7.4387 7.4387 10.4247 10.4247 10.4247 10.4247 12.2955 12.2955 12.2955 12.2955 k = 0.0714 0.3730 0.3024 ( 4132 PWs) bands (ev): -6.7874 -6.7874 -6.7874 -6.7874 -4.6148 -4.6148 -4.6148 -4.6148 2.5586 2.5586 2.5586 2.5586 3.1404 3.1404 3.1404 3.1404 4.1596 4.1596 4.1596 4.1596 5.1929 5.1929 5.1929 5.1929 5.3524 5.3524 5.3524 5.3524 5.4730 5.4730 5.4730 5.4730 6.1913 6.1913 6.1913 6.1913 6.5077 6.5077 6.5077 6.5077 7.1509 7.1509 7.1509 7.1509 7.4335 7.4335 7.4335 7.4335 10.4321 10.4321 10.4321 10.4321 12.2685 12.2685 12.2685 12.2685 k = 0.0595 0.3730 0.3024 ( 4136 PWs) bands (ev): -6.7916 -6.7916 -6.7916 -6.7916 -4.6221 -4.6221 -4.6221 -4.6221 2.5578 2.5578 2.5578 2.5578 3.1576 3.1576 3.1576 3.1576 4.1511 4.1511 4.1511 4.1511 5.1925 5.1925 5.1925 5.1925 5.3552 5.3552 5.3552 5.3552 5.4768 5.4768 5.4768 5.4768 6.2351 6.2351 6.2351 6.2351 6.5372 6.5372 6.5372 6.5372 7.1472 7.1472 7.1472 7.1472 7.4300 7.4300 7.4300 7.4300 10.4377 10.4377 10.4377 10.4377 12.2440 12.2440 12.2440 12.2440 k = 0.0476 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.7951 -6.7951 -6.7951 -6.7951 -4.6282 -4.6282 -4.6282 -4.6282 2.5572 2.5572 2.5572 2.5572 3.1720 3.1720 3.1720 3.1720 4.1439 4.1439 4.1439 4.1439 5.1919 5.1919 5.1919 5.1919 5.3574 5.3574 5.3574 5.3574 5.4799 5.4799 5.4799 5.4799 6.2735 6.2735 6.2735 6.2735 6.5604 6.5604 6.5604 6.5604 7.1444 7.1444 7.1444 7.1444 7.4279 7.4279 7.4279 7.4279 10.4418 10.4418 10.4418 10.4418 12.2228 12.2228 12.2228 12.2228 k = 0.0357 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.7978 -6.7978 -6.7978 -6.7978 -4.6329 -4.6329 -4.6329 -4.6329 2.5566 2.5566 2.5566 2.5566 3.1834 3.1834 3.1834 3.1834 4.1382 4.1382 4.1382 4.1382 5.1915 5.1915 5.1915 5.1915 5.3591 5.3591 5.3591 5.3591 5.4822 5.4822 5.4822 5.4822 6.3053 6.3053 6.3053 6.3053 6.5775 6.5775 6.5775 6.5775 7.1426 7.1426 7.1426 7.1426 7.4269 7.4269 7.4269 7.4269 10.4447 10.4447 10.4447 10.4447 12.2056 12.2056 12.2056 12.2056 k = 0.0238 0.3730 0.3024 ( 4144 PWs) bands (ev): -6.7997 -6.7997 -6.7997 -6.7997 -4.6363 -4.6363 -4.6363 -4.6363 2.5561 2.5561 2.5561 2.5561 3.1916 3.1916 3.1916 3.1916 4.1339 4.1339 4.1339 4.1339 5.1910 5.1910 5.1910 5.1910 5.3602 5.3602 5.3602 5.3602 5.4839 5.4839 5.4839 5.4839 6.3292 6.3292 6.3292 6.3292 6.5890 6.5890 6.5890 6.5890 7.1414 7.1414 7.1414 7.1414 7.4266 7.4266 7.4266 7.4266 10.4466 10.4466 10.4466 10.4466 12.1930 12.1930 12.1930 12.1930 k = 0.0119 0.3730 0.3024 ( 4152 PWs) bands (ev): -6.8009 -6.8009 -6.8009 -6.8009 -4.6383 -4.6383 -4.6383 -4.6383 2.5558 2.5558 2.5558 2.5558 3.1965 3.1965 3.1965 3.1965 4.1314 4.1314 4.1314 4.1314 5.1908 5.1908 5.1908 5.1908 5.3608 5.3608 5.3608 5.3608 5.4849 5.4849 5.4849 5.4849 6.3441 6.3441 6.3441 6.3441 6.5955 6.5955 6.5955 6.5955 7.1407 7.1407 7.1407 7.1407 7.4265 7.4265 7.4265 7.4265 10.4477 10.4477 10.4477 10.4477 12.1853 12.1853 12.1853 12.1853 k = 0.0000 0.3730 0.3024 ( 4156 PWs) bands (ev): -6.8013 -6.8013 -6.8013 -6.8013 -4.6390 -4.6390 -4.6390 -4.6390 2.5557 2.5557 2.5557 2.5557 3.1982 3.1982 3.1982 3.1982 4.1305 4.1305 4.1305 4.1305 5.1907 5.1907 5.1907 5.1907 5.3610 5.3610 5.3610 5.3610 5.4852 5.4852 5.4852 5.4852 6.3492 6.3492 6.3492 6.3492 6.5976 6.5976 6.5976 6.5976 7.1405 7.1405 7.1405 7.1405 7.4265 7.4265 7.4265 7.4265 10.4480 10.4480 10.4480 10.4480 12.1827 12.1827 12.1827 12.1827 k = 0.0000 0.3730 0.3024 ( 4156 PWs) bands (ev): -6.8013 -6.8013 -6.8013 -6.8013 -4.6390 -4.6390 -4.6390 -4.6390 2.5557 2.5557 2.5557 2.5557 3.1982 3.1982 3.1982 3.1982 4.1305 4.1305 4.1305 4.1305 5.1907 5.1907 5.1907 5.1907 5.3610 5.3610 5.3610 5.3610 5.4852 5.4852 5.4852 5.4852 6.3492 6.3492 6.3492 6.3492 6.5976 6.5976 6.5976 6.5976 7.1405 7.1405 7.1405 7.1405 7.4265 7.4265 7.4265 7.4265 10.4480 10.4480 10.4480 10.4480 12.1827 12.1827 12.1827 12.1827 k = 0.0000 0.3613 0.3024 ( 4154 PWs) bands (ev): -6.8023 -6.8023 -6.8023 -6.8023 -4.6370 -4.6370 -4.6370 -4.6370 2.5511 2.5511 2.5511 2.5511 3.2034 3.2034 3.2034 3.2034 4.1311 4.1311 4.1311 4.1311 5.1904 5.1904 5.1904 5.1904 5.3607 5.3607 5.3607 5.3607 5.4850 5.4850 5.4850 5.4850 6.3395 6.3395 6.3395 6.3395 6.6033 6.6033 6.6033 6.6033 7.1236 7.1236 7.1236 7.1236 7.4446 7.4446 7.4446 7.4446 10.4473 10.4473 10.4473 10.4473 12.1738 12.1738 12.1738 12.1738 k = 0.0000 0.3497 0.3024 ( 4162 PWs) bands (ev): -6.8055 -6.8055 -6.8055 -6.8055 -4.6311 -4.6311 -4.6311 -4.6311 2.5374 2.5374 2.5374 2.5374 3.2186 3.2186 3.2186 3.2186 4.1328 4.1328 4.1328 4.1328 5.1896 5.1896 5.1896 5.1896 5.3596 5.3596 5.3596 5.3596 5.4843 5.4843 5.4843 5.4843 6.3128 6.3128 6.3128 6.3128 6.6179 6.6179 6.6179 6.6179 7.0817 7.0817 7.0817 7.0817 7.4898 7.4898 7.4898 7.4898 10.4451 10.4451 10.4451 10.4451 12.1529 12.1529 12.1529 12.1529 k = 0.0000 0.3380 0.3024 ( 4154 PWs) bands (ev): -6.8106 -6.8106 -6.8106 -6.8106 -4.6213 -4.6213 -4.6213 -4.6213 2.5161 2.5161 2.5161 2.5161 3.2425 3.2425 3.2425 3.2425 4.1358 4.1358 4.1358 4.1358 5.1883 5.1883 5.1883 5.1883 5.3580 5.3580 5.3580 5.3580 5.4832 5.4832 5.4832 5.4832 6.2740 6.2740 6.2740 6.2740 6.6367 6.6367 6.6367 6.6367 7.0282 7.0282 7.0282 7.0282 7.5492 7.5492 7.5492 7.5492 10.4407 10.4407 10.4407 10.4407 12.1300 12.1300 12.1300 12.1300 k = 0.0000 0.3264 0.3024 ( 4154 PWs) bands (ev): -6.8177 -6.8177 -6.8177 -6.8177 -4.6077 -4.6077 -4.6077 -4.6077 2.4887 2.4887 2.4887 2.4887 3.2735 3.2735 3.2735 3.2735 4.1399 4.1399 4.1399 4.1399 5.1862 5.1862 5.1862 5.1862 5.3556 5.3556 5.3556 5.3556 5.4816 5.4816 5.4816 5.4816 6.2271 6.2271 6.2271 6.2271 6.6559 6.6559 6.6559 6.6559 6.9708 6.9708 6.9708 6.9708 7.6155 7.6155 7.6155 7.6155 10.4334 10.4334 10.4334 10.4334 12.1116 12.1116 12.1116 12.1116 k = 0.0000 0.3147 0.3024 ( 4160 PWs) bands (ev): -6.8265 -6.8265 -6.8265 -6.8265 -4.5905 -4.5905 -4.5905 -4.5905 2.4568 2.4568 2.4568 2.4568 3.3098 3.3098 3.3098 3.3098 4.1452 4.1452 4.1452 4.1452 5.1829 5.1829 5.1829 5.1829 5.3526 5.3526 5.3526 5.3526 5.4795 5.4795 5.4795 5.4795 6.1748 6.1748 6.1748 6.1748 6.6723 6.6723 6.6723 6.6723 6.9139 6.9139 6.9139 6.9139 7.6855 7.6855 7.6855 7.6855 10.4223 10.4223 10.4223 10.4223 12.1010 12.1010 12.1010 12.1010 k = 0.0000 0.3031 0.3024 ( 4158 PWs) bands (ev): -6.8370 -6.8370 -6.8370 -6.8370 -4.5700 -4.5700 -4.5700 -4.5700 2.4218 2.4218 2.4218 2.4218 3.3500 3.3500 3.3500 3.3500 4.1517 4.1517 4.1517 4.1517 5.1782 5.1782 5.1782 5.1782 5.3491 5.3491 5.3491 5.3491 5.4771 5.4771 5.4771 5.4771 6.1193 6.1193 6.1193 6.1193 6.6819 6.6819 6.6819 6.6819 6.8624 6.8624 6.8624 6.8624 7.7576 7.7576 7.7576 7.7576 10.4065 10.4065 10.4065 10.4065 12.1003 12.1003 12.1003 12.1003 k = 0.0000 0.2914 0.3024 ( 4158 PWs) bands (ev): -6.8490 -6.8490 -6.8490 -6.8490 -4.5464 -4.5464 -4.5464 -4.5464 2.3847 2.3847 2.3847 2.3847 3.3928 3.3928 3.3928 3.3928 4.1593 4.1593 4.1593 4.1593 5.1714 5.1714 5.1714 5.1714 5.3451 5.3451 5.3451 5.3451 5.4743 5.4743 5.4743 5.4743 6.0622 6.0622 6.0622 6.0622 6.6773 6.6773 6.6773 6.6773 6.8240 6.8240 6.8240 6.8240 7.8309 7.8309 7.8309 7.8309 10.3852 10.3852 10.3852 10.3852 12.1102 12.1102 12.1102 12.1102 k = 0.0000 0.2797 0.3024 ( 4154 PWs) bands (ev): -6.8622 -6.8622 -6.8622 -6.8622 -4.5199 -4.5199 -4.5199 -4.5199 2.3463 2.3463 2.3463 2.3463 3.4373 3.4373 3.4373 3.4373 4.1681 4.1681 4.1681 4.1681 5.1619 5.1619 5.1619 5.1619 5.3406 5.3406 5.3406 5.3406 5.4713 5.4713 5.4713 5.4713 6.0049 6.0049 6.0049 6.0049 6.6509 6.6509 6.6509 6.6509 6.8068 6.8068 6.8068 6.8068 7.9049 7.9049 7.9049 7.9049 10.3581 10.3581 10.3581 10.3581 12.1309 12.1309 12.1309 12.1309 k = 0.0000 0.2681 0.3024 ( 4166 PWs) bands (ev): -6.8766 -6.8766 -6.8766 -6.8766 -4.4908 -4.4908 -4.4908 -4.4908 2.3073 2.3073 2.3073 2.3073 3.4825 3.4825 3.4825 3.4825 4.1779 4.1779 4.1779 4.1779 5.1489 5.1489 5.1489 5.1489 5.3358 5.3358 5.3358 5.3358 5.4680 5.4680 5.4680 5.4680 5.9491 5.9491 5.9491 5.9491 6.6075 6.6075 6.6075 6.6075 6.8066 6.8066 6.8066 6.8066 7.9790 7.9790 7.9790 7.9790 10.3250 10.3250 10.3250 10.3250 12.1618 12.1618 12.1618 12.1618 k = 0.0000 0.2564 0.3024 ( 4162 PWs) bands (ev): -6.8918 -6.8918 -6.8918 -6.8918 -4.4595 -4.4595 -4.4595 -4.4595 2.2683 2.2683 2.2683 2.2683 3.5278 3.5278 3.5278 3.5278 4.1890 4.1890 4.1890 4.1890 5.1317 5.1317 5.1317 5.1317 5.3306 5.3306 5.3306 5.3306 5.4648 5.4648 5.4648 5.4648 5.8960 5.8960 5.8960 5.8960 6.5566 6.5566 6.5566 6.5566 6.8142 6.8142 6.8142 6.8142 8.0531 8.0531 8.0531 8.0531 10.2862 10.2862 10.2862 10.2862 12.2020 12.2020 12.2020 12.2020 k = 0.0000 0.2448 0.3024 ( 4170 PWs) bands (ev): -6.9077 -6.9077 -6.9077 -6.9077 -4.4263 -4.4263 -4.4263 -4.4263 2.2295 2.2295 2.2295 2.2295 3.5725 3.5725 3.5725 3.5725 4.2010 4.2010 4.2010 4.2010 5.1096 5.1096 5.1096 5.1096 5.3249 5.3249 5.3249 5.3249 5.4619 5.4619 5.4619 5.4619 5.8471 5.8471 5.8471 5.8471 6.5038 6.5038 6.5038 6.5038 6.8246 6.8246 6.8246 6.8246 8.1267 8.1267 8.1267 8.1267 10.2422 10.2422 10.2422 10.2422 12.2501 12.2501 12.2501 12.2501 k = 0.0000 0.2331 0.3024 ( 4154 PWs) bands (ev): -6.9241 -6.9241 -6.9241 -6.9241 -4.3915 -4.3915 -4.3915 -4.3915 2.1914 2.1914 2.1914 2.1914 3.6160 3.6160 3.6160 3.6160 4.2142 4.2142 4.2142 4.2142 5.0823 5.0823 5.0823 5.0823 5.3186 5.3186 5.3186 5.3186 5.4596 5.4596 5.4596 5.4596 5.8035 5.8035 5.8035 5.8035 6.4511 6.4511 6.4511 6.4511 6.8361 6.8361 6.8361 6.8361 8.1996 8.1996 8.1996 8.1996 10.1937 10.1937 10.1937 10.1937 12.3044 12.3044 12.3044 12.3044 k = 0.0000 0.2215 0.3024 ( 4148 PWs) bands (ev): -6.9408 -6.9408 -6.9408 -6.9408 -4.3554 -4.3554 -4.3554 -4.3554 2.1540 2.1540 2.1540 2.1540 3.6576 3.6576 3.6576 3.6576 4.2283 4.2283 4.2283 4.2283 5.0498 5.0498 5.0498 5.0498 5.3112 5.3112 5.3112 5.3112 5.4581 5.4581 5.4581 5.4581 5.7658 5.7658 5.7658 5.7658 6.3997 6.3997 6.3997 6.3997 6.8479 6.8479 6.8479 6.8479 8.2716 8.2716 8.2716 8.2716 10.1412 10.1412 10.1412 10.1412 12.3632 12.3632 12.3632 12.3632 k = 0.0000 0.2098 0.3024 ( 4152 PWs) bands (ev): -6.9576 -6.9576 -6.9576 -6.9576 -4.3184 -4.3184 -4.3184 -4.3184 2.1177 2.1177 2.1177 2.1177 3.6970 3.6970 3.6970 3.6970 4.2435 4.2435 4.2435 4.2435 5.0126 5.0126 5.0126 5.0126 5.3024 5.3024 5.3024 5.3024 5.4577 5.4577 5.4577 5.4577 5.7345 5.7345 5.7345 5.7345 6.3502 6.3502 6.3502 6.3502 6.8597 6.8597 6.8597 6.8597 8.3423 8.3423 8.3423 8.3423 10.0856 10.0856 10.0856 10.0856 12.4246 12.4246 12.4246 12.4246 k = 0.0000 0.1982 0.3024 ( 4148 PWs) bands (ev): -6.9744 -6.9744 -6.9744 -6.9744 -4.2809 -4.2809 -4.2809 -4.2809 2.0826 2.0826 2.0826 2.0826 3.7334 3.7334 3.7334 3.7334 4.2597 4.2597 4.2597 4.2597 4.9718 4.9718 4.9718 4.9718 5.2921 5.2921 5.2921 5.2921 5.4584 5.4584 5.4584 5.4584 5.7094 5.7094 5.7094 5.7094 6.3030 6.3030 6.3030 6.3030 6.8715 6.8715 6.8715 6.8715 8.4115 8.4115 8.4115 8.4115 10.0275 10.0275 10.0275 10.0275 12.4867 12.4867 12.4867 12.4867 k = 0.0000 0.1865 0.3024 ( 4152 PWs) bands (ev): -6.9910 -6.9910 -6.9910 -6.9910 -4.2431 -4.2431 -4.2431 -4.2431 2.0488 2.0488 2.0488 2.0488 3.7664 3.7664 3.7664 3.7664 4.2767 4.2767 4.2767 4.2767 4.9286 4.9286 4.9286 4.9286 5.2799 5.2799 5.2799 5.2799 5.4601 5.4601 5.4601 5.4601 5.6902 5.6902 5.6902 5.6902 6.2583 6.2583 6.2583 6.2583 6.8834 6.8834 6.8834 6.8834 8.4789 8.4789 8.4789 8.4789 9.9678 9.9678 9.9678 9.9678 12.5476 12.5476 12.5476 12.5476 k = 0.0000 0.1748 0.3024 ( 4152 PWs) bands (ev): -7.0072 -7.0072 -7.0072 -7.0072 -4.2054 -4.2054 -4.2054 -4.2054 2.0165 2.0165 2.0165 2.0165 3.7955 3.7955 3.7955 3.7955 4.2945 4.2945 4.2945 4.2945 4.8846 4.8846 4.8846 4.8846 5.2660 5.2660 5.2660 5.2660 5.4626 5.4626 5.4626 5.4626 5.6765 5.6765 5.6765 5.6765 6.2164 6.2164 6.2164 6.2164 6.8952 6.8952 6.8952 6.8952 8.5442 8.5442 8.5442 8.5442 9.9070 9.9070 9.9070 9.9070 12.6053 12.6053 12.6053 12.6053 k = 0.0000 0.1632 0.3024 ( 4158 PWs) bands (ev): -7.0229 -7.0229 -7.0229 -7.0229 -4.1682 -4.1682 -4.1682 -4.1682 1.9857 1.9857 1.9857 1.9857 3.8203 3.8203 3.8203 3.8203 4.3132 4.3132 4.3132 4.3132 4.8413 4.8413 4.8413 4.8413 5.2503 5.2503 5.2503 5.2503 5.4653 5.4653 5.4653 5.4653 5.6678 5.6678 5.6678 5.6678 6.1775 6.1775 6.1775 6.1775 6.9071 6.9071 6.9071 6.9071 8.6073 8.6073 8.6073 8.6073 9.8458 9.8458 9.8458 9.8458 12.6581 12.6581 12.6581 12.6581 k = 0.0000 0.1515 0.3024 ( 4160 PWs) bands (ev): -7.0381 -7.0381 -7.0381 -7.0381 -4.1318 -4.1318 -4.1318 -4.1318 1.9565 1.9565 1.9565 1.9565 3.8403 3.8403 3.8403 3.8403 4.3325 4.3325 4.3325 4.3325 4.8000 4.8000 4.8000 4.8000 5.2330 5.2330 5.2330 5.2330 5.4680 5.4680 5.4680 5.4680 5.6635 5.6635 5.6635 5.6635 6.1416 6.1416 6.1416 6.1416 6.9190 6.9190 6.9190 6.9190 8.6676 8.6676 8.6676 8.6676 9.7849 9.7849 9.7849 9.7849 12.7046 12.7046 12.7046 12.7046 k = 0.0000 0.1399 0.3024 ( 4168 PWs) bands (ev): -7.0525 -7.0525 -7.0525 -7.0525 -4.0964 -4.0964 -4.0964 -4.0964 1.9292 1.9292 1.9292 1.9292 3.8552 3.8552 3.8552 3.8552 4.3523 4.3523 4.3523 4.3523 4.7619 4.7619 4.7619 4.7619 5.2143 5.2143 5.2143 5.2143 5.4702 5.4702 5.4702 5.4702 5.6630 5.6630 5.6630 5.6630 6.1088 6.1088 6.1088 6.1088 6.9310 6.9310 6.9310 6.9310 8.7251 8.7251 8.7251 8.7251 9.7248 9.7248 9.7248 9.7248 12.7438 12.7438 12.7438 12.7438 k = 0.0000 0.1282 0.3024 ( 4158 PWs) bands (ev): -7.0661 -7.0661 -7.0661 -7.0661 -4.0625 -4.0625 -4.0625 -4.0625 1.9036 1.9036 1.9036 1.9036 3.8652 3.8652 3.8652 3.8652 4.3727 4.3727 4.3727 4.3727 4.7279 4.7279 4.7279 4.7279 5.1943 5.1943 5.1943 5.1943 5.4719 5.4719 5.4719 5.4719 5.6659 5.6659 5.6659 5.6659 6.0791 6.0791 6.0791 6.0791 6.9429 6.9429 6.9429 6.9429 8.7793 8.7793 8.7793 8.7793 9.6662 9.6662 9.6662 9.6662 12.7754 12.7754 12.7754 12.7754 k = 0.0000 0.1166 0.3024 ( 4154 PWs) bands (ev): -7.0788 -7.0788 -7.0788 -7.0788 -4.0304 -4.0304 -4.0304 -4.0304 1.8799 1.8799 1.8799 1.8799 3.8702 3.8702 3.8702 3.8702 4.3934 4.3934 4.3934 4.3934 4.6985 4.6985 4.6985 4.6985 5.1734 5.1734 5.1734 5.1734 5.4729 5.4729 5.4729 5.4729 5.6713 5.6713 5.6713 5.6713 6.0527 6.0527 6.0527 6.0527 6.9549 6.9549 6.9549 6.9549 8.8300 8.8300 8.8300 8.8300 9.6098 9.6098 9.6098 9.6098 12.7995 12.7995 12.7995 12.7995 k = 0.0000 0.1049 0.3024 ( 4152 PWs) bands (ev): -7.0905 -7.0905 -7.0905 -7.0905 -4.0002 -4.0002 -4.0002 -4.0002 1.8583 1.8583 1.8583 1.8583 3.8709 3.8709 3.8709 3.8709 4.4141 4.4141 4.4141 4.4141 4.6740 4.6740 4.6740 4.6740 5.1519 5.1519 5.1519 5.1519 5.4733 5.4733 5.4733 5.4733 5.6786 5.6786 5.6786 5.6786 6.0293 6.0293 6.0293 6.0293 6.9666 6.9666 6.9666 6.9666 8.8769 8.8769 8.8769 8.8769 9.5561 9.5561 9.5561 9.5561 12.8168 12.8168 12.8168 12.8168 k = 0.0000 0.0932 0.3024 ( 4160 PWs) bands (ev): -7.1012 -7.1012 -7.1012 -7.1012 -3.9724 -3.9724 -3.9724 -3.9724 1.8386 1.8386 1.8386 1.8386 3.8678 3.8678 3.8678 3.8678 4.4346 4.4346 4.4346 4.4346 4.6542 4.6542 4.6542 4.6542 5.1300 5.1300 5.1300 5.1300 5.4732 5.4732 5.4732 5.4732 5.6871 5.6871 5.6871 5.6871 6.0089 6.0089 6.0089 6.0089 6.9780 6.9780 6.9780 6.9780 8.9197 8.9197 8.9197 8.9197 9.5058 9.5058 9.5058 9.5058 12.8285 12.8285 12.8285 12.8285 k = 0.0000 0.0816 0.3024 ( 4160 PWs) bands (ev): -7.1107 -7.1107 -7.1107 -7.1107 -3.9472 -3.9472 -3.9472 -3.9472 1.8212 1.8212 1.8212 1.8212 3.8618 3.8618 3.8618 3.8618 4.4546 4.4546 4.4546 4.4546 4.6388 4.6388 4.6388 4.6388 5.1084 5.1084 5.1084 5.1084 5.4728 5.4728 5.4728 5.4728 5.6960 5.6960 5.6960 5.6960 5.9913 5.9913 5.9913 5.9913 6.9890 6.9890 6.9890 6.9890 8.9581 8.9581 8.9581 8.9581 9.4595 9.4595 9.4595 9.4595 12.8356 12.8356 12.8356 12.8356 k = 0.0000 0.0699 0.3024 ( 4156 PWs) bands (ev): -7.1191 -7.1191 -7.1191 -7.1191 -3.9248 -3.9248 -3.9248 -3.9248 1.8058 1.8058 1.8058 1.8058 3.8541 3.8541 3.8541 3.8541 4.4737 4.4737 4.4737 4.4737 4.6271 4.6271 4.6271 4.6271 5.0875 5.0875 5.0875 5.0875 5.4723 5.4723 5.4723 5.4723 5.7050 5.7050 5.7050 5.7050 5.9766 5.9766 5.9766 5.9766 6.9992 6.9992 6.9992 6.9992 8.9918 8.9918 8.9918 8.9918 9.4179 9.4179 9.4179 9.4179 12.8394 12.8394 12.8394 12.8394 k = 0.0000 0.0583 0.3024 ( 4168 PWs) bands (ev): -7.1263 -7.1263 -7.1263 -7.1263 -3.9054 -3.9054 -3.9054 -3.9054 1.7928 1.7928 1.7928 1.7928 3.8455 3.8455 3.8455 3.8455 4.4914 4.4914 4.4914 4.4914 4.6186 4.6186 4.6186 4.6186 5.0679 5.0679 5.0679 5.0679 5.4715 5.4715 5.4715 5.4715 5.7133 5.7133 5.7133 5.7133 5.9645 5.9645 5.9645 5.9645 7.0084 7.0084 7.0084 7.0084 9.0207 9.0207 9.0207 9.0207 9.3816 9.3816 9.3816 9.3816 12.8409 12.8409 12.8409 12.8409 k = 0.0000 0.0466 0.3024 ( 4160 PWs) bands (ev): -7.1322 -7.1322 -7.1322 -7.1322 -3.8893 -3.8893 -3.8893 -3.8893 1.7820 1.7820 1.7820 1.7820 3.8372 3.8372 3.8372 3.8372 4.5072 4.5072 4.5072 4.5072 4.6127 4.6127 4.6127 4.6127 5.0504 5.0504 5.0504 5.0504 5.4709 5.4709 5.4709 5.4709 5.7206 5.7206 5.7206 5.7206 5.9549 5.9549 5.9549 5.9549 7.0164 7.0164 7.0164 7.0164 9.0445 9.0445 9.0445 9.0445 9.3511 9.3511 9.3511 9.3511 12.8409 12.8409 12.8409 12.8409 k = 0.0000 0.0350 0.3024 ( 4152 PWs) bands (ev): -7.1368 -7.1368 -7.1368 -7.1368 -3.8766 -3.8766 -3.8766 -3.8766 1.7736 1.7736 1.7736 1.7736 3.8298 3.8298 3.8298 3.8298 4.5204 4.5204 4.5204 4.5204 4.6088 4.6088 4.6088 4.6088 5.0356 5.0356 5.0356 5.0356 5.4703 5.4703 5.4703 5.4703 5.7266 5.7266 5.7266 5.7266 5.9476 5.9476 5.9476 5.9476 7.0229 7.0229 7.0229 7.0229 9.0631 9.0631 9.0631 9.0631 9.3270 9.3270 9.3270 9.3270 12.8402 12.8402 12.8402 12.8402 k = 0.0000 0.0233 0.3024 ( 4162 PWs) bands (ev): -7.1401 -7.1401 -7.1401 -7.1401 -3.8674 -3.8674 -3.8674 -3.8674 1.7675 1.7675 1.7675 1.7675 3.8240 3.8240 3.8240 3.8240 4.5303 4.5303 4.5303 4.5303 4.6064 4.6064 4.6064 4.6064 5.0244 5.0244 5.0244 5.0244 5.4698 5.4698 5.4698 5.4698 5.7310 5.7310 5.7310 5.7310 5.9425 5.9425 5.9425 5.9425 7.0278 7.0278 7.0278 7.0278 9.0764 9.0764 9.0764 9.0764 9.3095 9.3095 9.3095 9.3095 12.8393 12.8393 12.8393 12.8393 k = 0.0000 0.0117 0.3024 ( 4158 PWs) bands (ev): -7.1421 -7.1421 -7.1421 -7.1421 -3.8619 -3.8619 -3.8619 -3.8619 1.7639 1.7639 1.7639 1.7639 3.8204 3.8204 3.8204 3.8204 4.5365 4.5365 4.5365 4.5365 4.6051 4.6051 4.6051 4.6051 5.0173 5.0173 5.0173 5.0173 5.4696 5.4696 5.4696 5.4696 5.7337 5.7337 5.7337 5.7337 5.9395 5.9395 5.9395 5.9395 7.0308 7.0308 7.0308 7.0308 9.0843 9.0843 9.0843 9.0843 9.2989 9.2989 9.2989 9.2989 12.8387 12.8387 12.8387 12.8387 k = 0.0000 0.0000 0.3024 ( 4158 PWs) bands (ev): -7.1428 -7.1428 -7.1428 -7.1428 -3.8600 -3.8600 -3.8600 -3.8600 1.7627 1.7627 1.7627 1.7627 3.8191 3.8191 3.8191 3.8191 4.5386 4.5386 4.5386 4.5386 4.6048 4.6048 4.6048 4.6048 5.0149 5.0149 5.0149 5.0149 5.4695 5.4695 5.4695 5.4695 5.7346 5.7346 5.7346 5.7346 5.9385 5.9385 5.9385 5.9385 7.0318 7.0318 7.0318 7.0318 9.0869 9.0869 9.0869 9.0869 9.2954 9.2954 9.2954 9.2954 12.8384 12.8384 12.8384 12.8384 k = 0.0000 0.3730-0.0000 ( 4172 PWs) bands (ev): -6.8898 -6.8898 -6.8898 -6.8898 -4.4051 -4.4051 -4.4051 -4.4051 1.5296 1.5296 1.5296 1.5296 4.1620 4.1620 4.1620 4.1620 4.3121 4.3121 4.3121 4.3121 4.8705 4.8705 4.8705 4.8705 5.3179 5.3179 5.3179 5.3179 5.4977 5.4977 5.4977 5.4977 5.6212 5.6212 5.6212 5.6212 6.8760 6.8760 6.8760 6.8760 7.8494 7.8494 7.8494 7.8494 8.1503 8.1503 8.1503 8.1503 9.4379 9.4379 9.4379 9.4379 11.9646 11.9646 11.9646 11.9646 k = 0.0000 0.3730 0.0116 ( 4168 PWs) bands (ev): -6.8895 -6.8895 -6.8895 -6.8895 -4.4059 -4.4059 -4.4059 -4.4059 1.5320 1.5320 1.5320 1.5320 4.1618 4.1618 4.1618 4.1618 4.3076 4.3076 4.3076 4.3076 4.8744 4.8744 4.8744 4.8744 5.3183 5.3183 5.3183 5.3183 5.4981 5.4981 5.4981 5.4981 5.6206 5.6206 5.6206 5.6206 6.8764 6.8764 6.8764 6.8764 7.8479 7.8479 7.8479 7.8479 8.1446 8.1446 8.1446 8.1446 9.4440 9.4440 9.4440 9.4440 11.9629 11.9629 11.9629 11.9629 k = 0.0000 0.3730 0.0233 ( 4156 PWs) bands (ev): -6.8886 -6.8886 -6.8886 -6.8886 -4.4085 -4.4085 -4.4085 -4.4085 1.5394 1.5394 1.5394 1.5394 4.1613 4.1613 4.1613 4.1613 4.2945 4.2945 4.2945 4.2945 4.8856 4.8856 4.8856 4.8856 5.3195 5.3195 5.3195 5.3195 5.4992 5.4992 5.4992 5.4992 5.6190 5.6190 5.6190 5.6190 6.8778 6.8778 6.8778 6.8778 7.8431 7.8431 7.8431 7.8431 8.1279 8.1279 8.1279 8.1279 9.4619 9.4619 9.4619 9.4619 11.9579 11.9579 11.9579 11.9579 k = 0.0000 0.3730 0.0349 ( 4150 PWs) bands (ev): -6.8871 -6.8871 -6.8871 -6.8871 -4.4128 -4.4128 -4.4128 -4.4128 1.5517 1.5517 1.5517 1.5517 4.1603 4.1603 4.1603 4.1603 4.2739 4.2739 4.2739 4.2739 4.9033 4.9033 4.9033 4.9033 5.3214 5.3214 5.3214 5.3214 5.5009 5.5009 5.5009 5.5009 5.6165 5.6165 5.6165 5.6165 6.8800 6.8800 6.8800 6.8800 7.8351 7.8351 7.8351 7.8351 8.1014 8.1014 8.1014 8.1014 9.4906 9.4906 9.4906 9.4906 11.9498 11.9498 11.9498 11.9498 k = 0.0000 0.3730 0.0465 ( 4150 PWs) bands (ev): -6.8850 -6.8850 -6.8850 -6.8850 -4.4186 -4.4186 -4.4186 -4.4186 1.5688 1.5688 1.5688 1.5688 4.1587 4.1587 4.1587 4.1587 4.2470 4.2470 4.2470 4.2470 4.9258 4.9258 4.9258 4.9258 5.3240 5.3240 5.3240 5.3240 5.5031 5.5031 5.5031 5.5031 5.6135 5.6135 5.6135 5.6135 6.8830 6.8830 6.8830 6.8830 7.8237 7.8237 7.8237 7.8237 8.0665 8.0665 8.0665 8.0665 9.5287 9.5287 9.5287 9.5287 11.9391 11.9391 11.9391 11.9391 k = 0.0000 0.3730 0.0581 ( 4154 PWs) bands (ev): -6.8824 -6.8824 -6.8824 -6.8824 -4.4260 -4.4260 -4.4260 -4.4260 1.5906 1.5906 1.5906 1.5906 4.1558 4.1558 4.1558 4.1558 4.2157 4.2157 4.2157 4.2157 4.9519 4.9519 4.9519 4.9519 5.3271 5.3271 5.3271 5.3271 5.5056 5.5056 5.5056 5.5056 5.6106 5.6106 5.6106 5.6106 6.8870 6.8870 6.8870 6.8870 7.8084 7.8084 7.8084 7.8084 8.0252 8.0252 8.0252 8.0252 9.5744 9.5744 9.5744 9.5744 11.9262 11.9262 11.9262 11.9262 k = 0.0000 0.3730 0.0698 ( 4154 PWs) bands (ev): -6.8793 -6.8793 -6.8793 -6.8793 -4.4347 -4.4347 -4.4347 -4.4347 1.6169 1.6169 1.6169 1.6169 4.1486 4.1486 4.1486 4.1486 4.1841 4.1841 4.1841 4.1841 4.9801 4.9801 4.9801 4.9801 5.3309 5.3309 5.3309 5.3309 5.5079 5.5079 5.5079 5.5079 5.6087 5.6087 5.6087 5.6087 6.8918 6.8918 6.8918 6.8918 7.7888 7.7888 7.7888 7.7888 7.9797 7.9797 7.9797 7.9797 9.6262 9.6262 9.6262 9.6262 11.9117 11.9117 11.9117 11.9117 k = 0.0000 0.3730 0.0814 ( 4160 PWs) bands (ev): -6.8757 -6.8757 -6.8757 -6.8757 -4.4448 -4.4448 -4.4448 -4.4448 1.6477 1.6477 1.6477 1.6477 4.1243 4.1243 4.1243 4.1243 4.1658 4.1658 4.1658 4.1658 5.0093 5.0093 5.0093 5.0093 5.3351 5.3351 5.3351 5.3351 5.5094 5.5094 5.5094 5.5094 5.6091 5.6091 5.6091 5.6091 6.8975 6.8975 6.8975 6.8975 7.7637 7.7637 7.7637 7.7637 7.9323 7.9323 7.9323 7.9323 9.6825 9.6825 9.6825 9.6825 11.8962 11.8962 11.8962 11.8962 k = 0.0000 0.3730 0.0930 ( 4160 PWs) bands (ev): -6.8717 -6.8717 -6.8717 -6.8717 -4.4559 -4.4559 -4.4559 -4.4559 1.6826 1.6826 1.6826 1.6826 4.0843 4.0843 4.0843 4.0843 4.1599 4.1599 4.1599 4.1599 5.0384 5.0384 5.0384 5.0384 5.3397 5.3397 5.3397 5.3397 5.5094 5.5094 5.5094 5.5094 5.6133 5.6133 5.6133 5.6133 6.9040 6.9040 6.9040 6.9040 7.7316 7.7316 7.7316 7.7316 7.8860 7.8860 7.8860 7.8860 9.7420 9.7420 9.7420 9.7420 11.8805 11.8805 11.8805 11.8805 k = 0.0000 0.3730 0.1047 ( 4160 PWs) bands (ev): -6.8673 -6.8673 -6.8673 -6.8673 -4.4680 -4.4680 -4.4680 -4.4680 1.7216 1.7216 1.7216 1.7216 4.0389 4.0389 4.0389 4.0389 4.1567 4.1567 4.1567 4.1567 5.0664 5.0664 5.0664 5.0664 5.3446 5.3446 5.3446 5.3446 5.5074 5.5074 5.5074 5.5074 5.6224 5.6224 5.6224 5.6224 6.9114 6.9114 6.9114 6.9114 7.6911 7.6911 7.6911 7.6911 7.8432 7.8432 7.8432 7.8432 9.8035 9.8035 9.8035 9.8035 11.8654 11.8654 11.8654 11.8654 k = 0.0000 0.3730 0.1163 ( 4148 PWs) bands (ev): -6.8626 -6.8626 -6.8626 -6.8626 -4.4809 -4.4809 -4.4809 -4.4809 1.7643 1.7643 1.7643 1.7643 3.9905 3.9905 3.9905 3.9905 4.1542 4.1542 4.1542 4.1542 5.0926 5.0926 5.0926 5.0926 5.3494 5.3494 5.3494 5.3494 5.5035 5.5035 5.5035 5.5035 5.6374 5.6374 5.6374 5.6374 6.9195 6.9195 6.9195 6.9195 7.6419 7.6419 7.6419 7.6419 7.8050 7.8050 7.8050 7.8050 9.8659 9.8659 9.8659 9.8659 11.8516 11.8516 11.8516 11.8516 k = 0.0000 0.3730 0.1279 ( 4148 PWs) bands (ev): -6.8576 -6.8576 -6.8576 -6.8576 -4.4944 -4.4944 -4.4944 -4.4944 1.8105 1.8105 1.8105 1.8105 3.9397 3.9397 3.9397 3.9397 4.1518 4.1518 4.1518 4.1518 5.1161 5.1161 5.1161 5.1161 5.3539 5.3539 5.3539 5.3539 5.4984 5.4984 5.4984 5.4984 5.6582 5.6582 5.6582 5.6582 6.9284 6.9284 6.9284 6.9284 7.5855 7.5855 7.5855 7.5855 7.7708 7.7708 7.7708 7.7708 9.9282 9.9282 9.9282 9.9282 11.8398 11.8398 11.8398 11.8398 k = 0.0000 0.3730 0.1396 ( 4144 PWs) bands (ev): -6.8524 -6.8524 -6.8524 -6.8524 -4.5083 -4.5083 -4.5083 -4.5083 1.8600 1.8600 1.8600 1.8600 3.8869 3.8869 3.8869 3.8869 4.1496 4.1496 4.1496 4.1496 5.1366 5.1366 5.1366 5.1366 5.3579 5.3579 5.3579 5.3579 5.4928 5.4928 5.4928 5.4928 5.6847 5.6847 5.6847 5.6847 6.9379 6.9379 6.9379 6.9379 7.5240 7.5240 7.5240 7.5240 7.7392 7.7392 7.7392 7.7392 9.9896 9.9896 9.9896 9.9896 11.8309 11.8309 11.8309 11.8309 k = 0.0000 0.3730 0.1512 ( 4146 PWs) bands (ev): -6.8471 -6.8471 -6.8471 -6.8471 -4.5224 -4.5224 -4.5224 -4.5224 1.9123 1.9123 1.9123 1.9123 3.8323 3.8323 3.8323 3.8323 4.1474 4.1474 4.1474 4.1474 5.1538 5.1538 5.1538 5.1538 5.3611 5.3611 5.3611 5.3611 5.4875 5.4875 5.4875 5.4875 5.7167 5.7167 5.7167 5.7167 6.9478 6.9478 6.9478 6.9478 7.4593 7.4593 7.4593 7.4593 7.7091 7.7091 7.7091 7.7091 10.0493 10.0493 10.0493 10.0493 11.8256 11.8256 11.8256 11.8256 k = 0.0000 0.3730 0.1628 ( 4150 PWs) bands (ev): -6.8418 -6.8418 -6.8418 -6.8418 -4.5365 -4.5365 -4.5365 -4.5365 1.9673 1.9673 1.9673 1.9673 3.7762 3.7762 3.7762 3.7762 4.1452 4.1452 4.1452 4.1452 5.1676 5.1676 5.1676 5.1676 5.3633 5.3633 5.3633 5.3633 5.4831 5.4831 5.4831 5.4831 5.7538 5.7538 5.7538 5.7538 6.9577 6.9577 6.9577 6.9577 7.3929 7.3929 7.3929 7.3929 7.6798 7.6798 7.6798 7.6798 10.1064 10.1064 10.1064 10.1064 11.8247 11.8247 11.8247 11.8247 k = 0.0000 0.3730 0.1744 ( 4154 PWs) bands (ev): -6.8365 -6.8365 -6.8365 -6.8365 -4.5503 -4.5503 -4.5503 -4.5503 2.0243 2.0243 2.0243 2.0243 3.7187 3.7187 3.7187 3.7187 4.1431 4.1431 4.1431 4.1431 5.1782 5.1782 5.1782 5.1782 5.3646 5.3646 5.3646 5.3646 5.4798 5.4798 5.4798 5.4798 5.7957 5.7957 5.7957 5.7957 6.9672 6.9672 6.9672 6.9672 7.3262 7.3262 7.3262 7.3262 7.6509 7.6509 7.6509 7.6509 10.1604 10.1604 10.1604 10.1604 11.8287 11.8287 11.8287 11.8287 k = 0.0000 0.3730 0.1861 ( 4154 PWs) bands (ev): -6.8313 -6.8313 -6.8313 -6.8313 -4.5638 -4.5638 -4.5638 -4.5638 2.0832 2.0832 2.0832 2.0832 3.6602 3.6602 3.6602 3.6602 4.1412 4.1412 4.1412 4.1412 5.1859 5.1859 5.1859 5.1859 5.3650 5.3650 5.3650 5.3650 5.4779 5.4779 5.4779 5.4779 5.8417 5.8417 5.8417 5.8417 6.9750 6.9750 6.9750 6.9750 7.2609 7.2609 7.2609 7.2609 7.6224 7.6224 7.6224 7.6224 10.2106 10.2106 10.2106 10.2106 11.8384 11.8384 11.8384 11.8384 k = 0.0000 0.3730 0.1977 ( 4150 PWs) bands (ev): -6.8263 -6.8263 -6.8263 -6.8263 -4.5766 -4.5766 -4.5766 -4.5766 2.1433 2.1433 2.1433 2.1433 3.6009 3.6009 3.6009 3.6009 4.1393 4.1393 4.1393 4.1393 5.1910 5.1910 5.1910 5.1910 5.3649 5.3649 5.3649 5.3649 5.4771 5.4771 5.4771 5.4771 5.8914 5.8914 5.8914 5.8914 6.9785 6.9785 6.9785 6.9785 7.2000 7.2000 7.2000 7.2000 7.5943 7.5943 7.5943 7.5943 10.2565 10.2565 10.2565 10.2565 11.8540 11.8540 11.8540 11.8540 k = 0.0000 0.3730 0.2093 ( 4156 PWs) bands (ev): -6.8215 -6.8215 -6.8215 -6.8215 -4.5887 -4.5887 -4.5887 -4.5887 2.2041 2.2041 2.2041 2.2041 3.5414 3.5414 3.5414 3.5414 4.1375 4.1375 4.1375 4.1375 5.1940 5.1940 5.1940 5.1940 5.3643 5.3643 5.3643 5.3643 5.4773 5.4773 5.4773 5.4773 5.9443 5.9443 5.9443 5.9443 6.9718 6.9718 6.9718 6.9718 7.1494 7.1494 7.1494 7.1494 7.5668 7.5668 7.5668 7.5668 10.2976 10.2976 10.2976 10.2976 11.8760 11.8760 11.8760 11.8760 k = 0.0000 0.3730 0.2210 ( 4150 PWs) bands (ev): -6.8171 -6.8171 -6.8171 -6.8171 -4.5997 -4.5997 -4.5997 -4.5997 2.2648 2.2648 2.2648 2.2648 3.4821 3.4821 3.4821 3.4821 4.1360 4.1360 4.1360 4.1360 5.1954 5.1954 5.1954 5.1954 5.3636 5.3636 5.3636 5.3636 5.4782 5.4782 5.4782 5.4782 5.9997 5.9997 5.9997 5.9997 6.9462 6.9462 6.9462 6.9462 7.1183 7.1183 7.1183 7.1183 7.5403 7.5403 7.5403 7.5403 10.3338 10.3338 10.3338 10.3338 11.9045 11.9045 11.9045 11.9045 k = 0.0000 0.3730 0.2326 ( 4152 PWs) bands (ev): -6.8132 -6.8132 -6.8132 -6.8132 -4.6097 -4.6097 -4.6097 -4.6097 2.3246 2.3246 2.3246 2.3246 3.4238 3.4238 3.4238 3.4238 4.1346 4.1346 4.1346 4.1346 5.1955 5.1955 5.1955 5.1955 5.3629 5.3629 5.3629 5.3629 5.4794 5.4794 5.4794 5.4794 6.0572 6.0572 6.0572 6.0572 6.9002 6.9002 6.9002 6.9002 7.1080 7.1080 7.1080 7.1080 7.5150 7.5150 7.5150 7.5150 10.3649 10.3649 10.3649 10.3649 11.9393 11.9393 11.9393 11.9393 k = 0.0000 0.3730 0.2442 ( 4154 PWs) bands (ev): -6.8097 -6.8097 -6.8097 -6.8097 -4.6184 -4.6184 -4.6184 -4.6184 2.3822 2.3822 2.3822 2.3822 3.3677 3.3677 3.3677 3.3677 4.1334 4.1334 4.1334 4.1334 5.1948 5.1948 5.1948 5.1948 5.3622 5.3622 5.3622 5.3622 5.4808 5.4808 5.4808 5.4808 6.1161 6.1161 6.1161 6.1161 6.8424 6.8424 6.8424 6.8424 7.1101 7.1101 7.1101 7.1101 7.4915 7.4915 7.4915 7.4915 10.3909 10.3909 10.3909 10.3909 11.9799 11.9799 11.9799 11.9799 k = 0.0000 0.3730 0.2559 ( 4146 PWs) bands (ev): -6.8067 -6.8067 -6.8067 -6.8067 -4.6257 -4.6257 -4.6257 -4.6257 2.4359 2.4359 2.4359 2.4359 3.3153 3.3153 3.3153 3.3153 4.1324 4.1324 4.1324 4.1324 5.1937 5.1937 5.1937 5.1937 5.3618 5.3618 5.3618 5.3618 5.4822 5.4822 5.4822 5.4822 6.1754 6.1754 6.1754 6.1754 6.7804 6.7804 6.7804 6.7804 7.1173 7.1173 7.1173 7.1173 7.4703 7.4703 7.4703 7.4703 10.4118 10.4118 10.4118 10.4118 12.0256 12.0256 12.0256 12.0256 k = 0.0000 0.3730 0.2675 ( 4138 PWs) bands (ev): -6.8044 -6.8044 -6.8044 -6.8044 -4.6314 -4.6314 -4.6314 -4.6314 2.4835 2.4835 2.4835 2.4835 3.2689 3.2689 3.2689 3.2689 4.1316 4.1316 4.1316 4.1316 5.1926 5.1926 5.1926 5.1926 5.3615 5.3615 5.3615 5.3615 5.4835 5.4835 5.4835 5.4835 6.2337 6.2337 6.2337 6.2337 6.7187 6.7187 6.7187 6.7187 7.1258 7.1258 7.1258 7.1258 7.4524 7.4524 7.4524 7.4524 10.4278 10.4278 10.4278 10.4278 12.0746 12.0746 12.0746 12.0746 k = 0.0000 0.3730 0.2791 ( 4134 PWs) bands (ev): -6.8027 -6.8027 -6.8027 -6.8027 -4.6356 -4.6356 -4.6356 -4.6356 2.5217 2.5217 2.5217 2.5217 3.2316 3.2316 3.2316 3.2316 4.1310 4.1310 4.1310 4.1310 5.1916 5.1916 5.1916 5.1916 5.3613 5.3613 5.3613 5.3613 5.4845 5.4845 5.4845 5.4845 6.2880 6.2880 6.2880 6.2880 6.6614 6.6614 6.6614 6.6614 7.1334 7.1334 7.1334 7.1334 7.4385 7.4385 7.4385 7.4385 10.4391 10.4391 10.4391 10.4391 12.1236 12.1236 12.1236 12.1236 k = 0.0000 0.3730 0.2907 ( 4146 PWs) bands (ev): -6.8016 -6.8016 -6.8016 -6.8016 -4.6382 -4.6382 -4.6382 -4.6382 2.5469 2.5469 2.5469 2.5469 3.2069 3.2069 3.2069 3.2069 4.1306 4.1306 4.1306 4.1306 5.1909 5.1909 5.1909 5.1909 5.3611 5.3611 5.3611 5.3611 5.4850 5.4850 5.4850 5.4850 6.3313 6.3313 6.3313 6.3313 6.6163 6.6163 6.6163 6.6163 7.1387 7.1387 7.1387 7.1387 7.4296 7.4296 7.4296 7.4296 10.4458 10.4458 10.4458 10.4458 12.1649 12.1649 12.1649 12.1649 k = 0.0000 0.3730 0.3024 ( 4156 PWs) bands (ev): -6.8013 -6.8013 -6.8013 -6.8013 -4.6390 -4.6390 -4.6390 -4.6390 2.5557 2.5557 2.5557 2.5557 3.1982 3.1982 3.1982 3.1982 4.1305 4.1305 4.1305 4.1305 5.1907 5.1907 5.1907 5.1907 5.3610 5.3610 5.3610 5.3610 5.4852 5.4852 5.4852 5.4852 6.3492 6.3492 6.3492 6.3492 6.5976 6.5976 6.5976 6.5976 7.1405 7.1405 7.1405 7.1405 7.4265 7.4265 7.4265 7.4265 10.4480 10.4480 10.4480 10.4480 12.1827 12.1827 12.1827 12.1827 k = 0.5000-0.0000 0.3024 ( 4136 PWs) bands (ev): -6.6826 -6.6826 -6.6817 -6.6817 -3.7694 -3.7694 -3.7661 -3.7661 1.7914 1.7914 1.8458 1.8458 2.9660 2.9660 2.9894 2.9894 3.9154 3.9154 3.9610 3.9610 5.0207 5.0207 5.0546 5.0546 5.2121 5.2121 5.2388 5.2388 5.3325 5.3325 5.3444 5.3444 5.5709 5.5709 5.6183 5.6183 5.6249 5.6249 5.7000 5.7000 5.9687 5.9687 6.0422 6.0422 7.4573 7.4573 7.5033 7.5033 10.1535 10.1535 10.1770 10.1770 11.7011 11.7011 11.8254 11.8254 k = 0.5000-0.0000 0.2907 ( 4140 PWs) bands (ev): -6.6828 -6.6828 -6.6819 -6.6819 -3.7690 -3.7690 -3.7657 -3.7657 1.7917 1.7917 1.8460 1.8460 2.9662 2.9662 2.9898 2.9898 3.9151 3.9151 3.9608 3.9608 5.0196 5.0196 5.0525 5.0525 5.2140 5.2140 5.2362 5.2362 5.3341 5.3341 5.3422 5.3422 5.5701 5.5701 5.6032 5.6032 5.6329 5.6329 5.6950 5.6950 5.9769 5.9769 6.0485 6.0485 7.4580 7.4580 7.5040 7.5040 10.1519 10.1519 10.1757 10.1757 11.7008 11.7008 11.8242 11.8242 k = 0.5000-0.0000 0.2791 ( 4128 PWs) bands (ev): -6.6832 -6.6832 -6.6824 -6.6824 -3.7678 -3.7678 -3.7645 -3.7645 1.7928 1.7928 1.8466 1.8466 2.9667 2.9667 2.9912 2.9912 3.9140 3.9140 3.9603 3.9603 5.0165 5.0165 5.0467 5.0467 5.2185 5.2185 5.2280 5.2280 5.3357 5.3357 5.3388 5.3388 5.5678 5.5678 5.5793 5.5793 5.6387 5.6387 5.6822 5.6822 5.9990 5.9990 6.0658 6.0658 7.4601 7.4601 7.5062 7.5062 10.1473 10.1473 10.1717 10.1717 11.7001 11.7001 11.8209 11.8209 k = 0.5000-0.0000 0.2675 ( 4136 PWs) bands (ev): -6.6840 -6.6840 -6.6831 -6.6831 -3.7657 -3.7657 -3.7625 -3.7625 1.7945 1.7945 1.8476 1.8476 2.9677 2.9677 2.9934 2.9934 3.9123 3.9123 3.9593 3.9593 5.0116 5.0116 5.0384 5.0384 5.2128 5.2128 5.2208 5.2208 5.3264 5.3264 5.3468 5.3468 5.5536 5.5536 5.5635 5.5635 5.6422 5.6422 5.6661 5.6661 6.0305 6.0305 6.0909 6.0909 7.4634 7.4634 7.5097 7.5097 10.1393 10.1393 10.1648 10.1648 11.6996 11.6996 11.8161 11.8161 k = 0.5000-0.0000 0.2559 ( 4134 PWs) bands (ev): -6.6851 -6.6851 -6.6842 -6.6842 -3.7630 -3.7630 -3.7598 -3.7598 1.7969 1.7969 1.8489 1.8489 2.9692 2.9692 2.9967 2.9967 3.9098 3.9098 3.9579 3.9579 5.0050 5.0050 5.0285 5.0285 5.1895 5.1895 5.2120 5.2120 5.3199 5.3199 5.3577 5.3577 5.5317 5.5317 5.5577 5.5577 5.6447 5.6447 5.6513 5.6513 6.0669 6.0669 6.1206 6.1206 7.4677 7.4677 7.5141 7.5141 10.1276 10.1276 10.1545 10.1545 11.6999 11.6999 11.8108 11.8108 k = 0.5000-0.0000 0.2442 ( 4138 PWs) bands (ev): -6.6864 -6.6864 -6.6855 -6.6855 -3.7595 -3.7595 -3.7563 -3.7563 1.8000 1.8000 1.8507 1.8507 2.9712 2.9712 3.0009 3.0009 3.9066 3.9066 3.9561 3.9561 4.9969 4.9969 5.0177 5.0177 5.1579 5.1579 5.1842 5.1842 5.3228 5.3228 5.3705 5.3705 5.5169 5.5169 5.5512 5.5512 5.6407 5.6407 5.6469 5.6469 6.1055 6.1055 6.1524 6.1524 7.4726 7.4726 7.5190 7.5190 10.1120 10.1120 10.1404 10.1404 11.7017 11.7017 11.8061 11.8061 k = 0.5000-0.0000 0.2326 ( 4138 PWs) bands (ev): -6.6880 -6.6880 -6.6871 -6.6871 -3.7553 -3.7553 -3.7522 -3.7522 1.8037 1.8037 1.8528 1.8528 2.9738 2.9738 3.0062 3.0062 3.9025 3.9025 3.9537 3.9537 4.9865 4.9865 5.0058 5.0058 5.1195 5.1195 5.1398 5.1398 5.3336 5.3336 5.3841 5.3841 5.5098 5.5098 5.5462 5.5462 5.6348 5.6348 5.6493 5.6493 6.1445 6.1445 6.1851 6.1851 7.4777 7.4777 7.5241 7.5241 10.0923 10.0923 10.1223 10.1223 11.7055 11.7055 11.8026 11.8026 k = 0.5000-0.0000 0.2210 ( 4150 PWs) bands (ev): -6.6898 -6.6898 -6.6889 -6.6889 -3.7505 -3.7505 -3.7475 -3.7475 1.8080 1.8080 1.8553 1.8553 2.9772 2.9772 3.0126 3.0126 3.8975 3.8975 3.9506 3.9506 4.9709 4.9709 4.9907 4.9907 5.0782 5.0782 5.0877 5.0877 5.3478 5.3478 5.3972 5.3972 5.5095 5.5095 5.5442 5.5442 5.6332 5.6332 5.6523 5.6523 6.1831 6.1831 6.2179 6.2179 7.4826 7.4826 7.5288 7.5288 10.0683 10.0683 10.0998 10.0998 11.7112 11.7112 11.8008 11.8008 k = 0.5000-0.0000 0.2093 ( 4148 PWs) bands (ev): -6.6918 -6.6918 -6.6910 -6.6910 -3.7452 -3.7452 -3.7422 -3.7422 1.8128 1.8128 1.8581 1.8581 2.9814 2.9814 3.0202 3.0202 3.8914 3.8914 3.9469 3.9469 4.9438 4.9438 4.9639 4.9639 5.0412 5.0412 5.0423 5.0423 5.3623 5.3623 5.4088 5.4088 5.5148 5.5148 5.5460 5.5460 5.6353 5.6353 5.6562 5.6562 6.2211 6.2211 6.2506 6.2506 7.4869 7.4869 7.5325 7.5325 10.0404 10.0404 10.0732 10.0732 11.7182 11.7182 11.8003 11.8003 k = 0.5000-0.0000 0.1977 ( 4152 PWs) bands (ev): -6.6939 -6.6939 -6.6932 -6.6932 -3.7394 -3.7394 -3.7365 -3.7365 1.8181 1.8181 1.8612 1.8612 2.9867 2.9867 3.0291 3.0291 3.8842 3.8842 3.9423 3.9423 4.8994 4.8994 4.9142 4.9142 5.0148 5.0148 5.0194 5.0194 5.3756 5.3756 5.4184 5.4184 5.5241 5.5241 5.5507 5.5507 5.6413 5.6413 5.6613 5.6613 6.2582 6.2582 6.2830 6.2830 7.4900 7.4900 7.5348 7.5348 10.0088 10.0088 10.0426 10.0426 11.7255 11.7255 11.8002 11.8002 k = 0.5000-0.0000 0.1861 ( 4144 PWs) bands (ev): -6.6962 -6.6962 -6.6955 -6.6955 -3.7332 -3.7332 -3.7304 -3.7304 1.8238 1.8238 1.8645 1.8645 2.9931 2.9931 3.0394 3.0394 3.8758 3.8758 3.9367 3.9367 4.8420 4.8420 4.8496 4.8496 5.0023 5.0023 5.0070 5.0070 5.3872 5.3872 5.4260 5.4260 5.5360 5.5360 5.5568 5.5568 5.6514 5.6514 5.6684 5.6684 6.2947 6.2947 6.3152 6.3152 7.4915 7.4915 7.5352 7.5352 9.9743 9.9743 10.0085 10.0085 11.7315 11.7315 11.7992 11.7992 k = 0.5000-0.0000 0.1744 ( 4144 PWs) bands (ev): -6.6986 -6.6986 -6.6979 -6.6979 -3.7267 -3.7267 -3.7241 -3.7241 1.8299 1.8299 1.8680 1.8680 3.0009 3.0009 3.0513 3.0513 3.8658 3.8658 3.9300 3.9300 4.7781 4.7781 4.7803 4.7803 4.9952 4.9952 4.9998 4.9998 5.3971 5.3971 5.4322 5.4322 5.5488 5.5488 5.5628 5.5628 5.6656 5.6656 5.6778 5.6778 6.3307 6.3307 6.3476 6.3476 7.4909 7.4909 7.5331 7.5331 9.9377 9.9377 9.9719 9.9719 11.7345 11.7345 11.7958 11.7958 k = 0.5000-0.0000 0.1628 ( 4132 PWs) bands (ev): -6.7011 -6.7011 -6.7004 -6.7004 -3.7200 -3.7200 -3.7175 -3.7175 1.8363 1.8363 1.8717 1.8717 3.0101 3.0101 3.0647 3.0647 3.8540 3.8540 3.9218 3.9218 4.7103 4.7103 4.7118 4.7118 4.9906 4.9906 4.9954 4.9954 5.4056 5.4056 5.4374 5.4374 5.5608 5.5608 5.5678 5.5678 5.6833 5.6833 5.6902 5.6902 6.3665 6.3665 6.3803 6.3803 7.4879 7.4879 7.5283 7.5283 9.8999 9.8999 9.9334 9.9334 11.7330 11.7330 11.7884 11.7884 k = 0.5000-0.0000 0.1512 ( 4136 PWs) bands (ev): -6.7036 -6.7036 -6.7030 -6.7030 -3.7133 -3.7133 -3.7109 -3.7109 1.8428 1.8428 1.8756 1.8756 3.0210 3.0210 3.0798 3.0798 3.8401 3.8401 3.9119 3.9119 4.6416 4.6416 4.6451 4.6451 4.9877 4.9877 4.9926 4.9926 5.4130 5.4130 5.4419 5.4419 5.5710 5.5710 5.5717 5.5717 5.7034 5.7034 5.7054 5.7054 6.4024 6.4024 6.4135 6.4135 7.4820 7.4820 7.5203 7.5203 9.8617 9.8617 9.8941 9.8941 11.7261 11.7261 11.7760 11.7760 k = 0.5000-0.0000 0.1396 ( 4142 PWs) bands (ev): -6.7061 -6.7061 -6.7055 -6.7055 -3.7065 -3.7065 -3.7042 -3.7042 1.8495 1.8495 1.8794 1.8794 3.0337 3.0337 3.0968 3.0968 3.8238 3.8238 3.8999 3.8999 4.5754 4.5754 4.5796 4.5796 4.9859 4.9859 4.9910 4.9910 5.4196 5.4196 5.4461 5.4461 5.5746 5.5746 5.5789 5.5789 5.7231 5.7231 5.7249 5.7249 6.4387 6.4387 6.4477 6.4477 7.4731 7.4731 7.5090 7.5090 9.8241 9.8241 9.8549 9.8549 11.7133 11.7133 11.7582 11.7582 k = 0.5000-0.0000 0.1279 ( 4146 PWs) bands (ev): -6.7085 -6.7085 -6.7080 -6.7080 -3.6998 -3.6998 -3.6977 -3.6977 1.8562 1.8562 1.8833 1.8833 3.0484 3.0484 3.1156 3.1156 3.8046 3.8046 3.8852 3.8852 4.5129 4.5129 4.5169 4.5169 4.9851 4.9851 4.9902 4.9902 5.4256 5.4256 5.4499 5.4499 5.5768 5.5768 5.5847 5.5847 5.7424 5.7424 5.7466 5.7466 6.4757 6.4757 6.4829 6.4829 7.4608 7.4608 7.4941 7.4941 9.7878 9.7878 9.8166 9.8166 11.6950 11.6950 11.7354 11.7354 k = 0.5000-0.0000 0.1163 ( 4150 PWs) bands (ev): -6.7109 -6.7109 -6.7104 -6.7104 -3.6933 -3.6933 -3.6913 -3.6913 1.8628 1.8628 1.8871 1.8871 3.0652 3.0652 3.1364 3.1364 3.7823 3.7823 3.8675 3.8675 4.4552 4.4552 4.4580 4.4580 4.9849 4.9849 4.9900 4.9900 5.4313 5.4313 5.4535 5.4535 5.5786 5.5786 5.5888 5.5888 5.7622 5.7622 5.7679 5.7679 6.5135 6.5135 6.5193 6.5193 7.4453 7.4453 7.4756 7.4756 9.7535 9.7535 9.7800 9.7800 11.6720 11.6720 11.7083 11.7083 k = 0.5000-0.0000 0.1047 ( 4166 PWs) bands (ev): -6.7131 -6.7131 -6.7127 -6.7127 -3.6871 -3.6871 -3.6853 -3.6853 1.8692 1.8692 1.8907 1.8907 3.0842 3.0842 3.1591 3.1591 3.7565 3.7565 3.8462 3.8462 4.4029 4.4029 4.4040 4.4040 4.9853 4.9853 4.9902 4.9902 5.4365 5.4365 5.4569 5.4569 5.5800 5.5800 5.5915 5.5915 5.7817 5.7817 5.7880 5.7880 6.5522 6.5522 6.5569 6.5569 7.4264 7.4264 7.4537 7.4537 9.7218 9.7218 9.7458 9.7458 11.6459 11.6459 11.6782 11.6782 k = 0.5000-0.0000 0.0930 ( 4166 PWs) bands (ev): -6.7152 -6.7152 -6.7148 -6.7148 -3.6812 -3.6812 -3.6796 -3.6796 1.8753 1.8753 1.8941 1.8941 3.1056 3.1056 3.1839 3.1839 3.7273 3.7273 3.8209 3.8209 4.3560 4.3560 4.3568 4.3568 4.9861 4.9861 4.9908 4.9908 5.4416 5.4416 5.4600 5.4600 5.5812 5.5812 5.5933 5.5933 5.8003 5.8003 5.8066 5.8066 6.5917 6.5917 6.5955 6.5955 7.4043 7.4043 7.4285 7.4285 9.6932 9.6932 9.7144 9.7144 11.6180 11.6180 11.6465 11.6465 k = 0.5000-0.0000 0.0814 ( 4174 PWs) bands (ev): -6.7172 -6.7172 -6.7168 -6.7168 -3.6758 -3.6758 -3.6744 -3.6744 1.8811 1.8811 1.8972 1.8972 3.1292 3.1292 3.2105 3.2105 3.6948 3.6948 3.7914 3.7914 4.3146 4.3146 4.3170 4.3170 4.9871 4.9871 4.9914 4.9914 5.4462 5.4462 5.4627 5.4627 5.5824 5.5824 5.5943 5.5943 5.8174 5.8174 5.8233 5.8233 6.6318 6.6318 6.6349 6.6349 7.3795 7.3795 7.4006 7.4006 9.6678 9.6678 9.6863 9.6863 11.5898 11.5898 11.6146 11.6146 k = 0.5000-0.0000 0.0698 ( 4166 PWs) bands (ev): -6.7189 -6.7189 -6.7186 -6.7186 -3.6710 -3.6710 -3.6698 -3.6698 1.8864 1.8864 1.9000 1.9000 3.1553 3.1553 3.2387 3.2387 3.6597 3.6597 3.7580 3.7580 4.2801 4.2801 4.2836 4.2836 4.9883 4.9883 4.9922 4.9922 5.4507 5.4507 5.4651 5.4651 5.5836 5.5836 5.5948 5.5948 5.8327 5.8327 5.8380 5.8380 6.6720 6.6720 6.6745 6.6745 7.3525 7.3525 7.3704 7.3704 9.6460 9.6460 9.6616 9.6616 11.5627 11.5627 11.5840 11.5840 k = 0.5000-0.0000 0.0581 ( 4166 PWs) bands (ev): -6.7204 -6.7204 -6.7201 -6.7201 -3.6667 -3.6667 -3.6657 -3.6657 1.8912 1.8912 1.9023 1.9023 3.1835 3.1835 3.2681 3.2681 3.6230 3.6230 3.7212 3.7212 4.2524 4.2524 4.2564 4.2564 4.9895 4.9895 4.9929 4.9929 5.4547 5.4547 5.4670 5.4670 5.5847 5.5847 5.5947 5.5947 5.8459 5.8459 5.8505 5.8505 6.7116 6.7116 6.7135 6.7135 7.3241 7.3241 7.3389 7.3389 9.6278 9.6278 9.6406 9.6406 11.5380 11.5380 11.5558 11.5558 k = 0.5000-0.0000 0.0465 ( 4166 PWs) bands (ev): -6.7216 -6.7216 -6.7214 -6.7214 -3.6632 -3.6632 -3.6623 -3.6623 1.8953 1.8953 1.9041 1.9041 3.2137 3.2137 3.2975 3.2975 3.5866 3.5866 3.6821 3.6821 4.2309 4.2309 4.2349 4.2349 4.9908 4.9908 4.9936 4.9936 5.4584 5.4584 5.4684 5.4684 5.5859 5.5859 5.5943 5.5943 5.8569 5.8569 5.8606 5.8606 6.7493 6.7493 6.7507 6.7507 7.2956 7.2956 7.3075 7.3075 9.6131 9.6131 9.6233 9.6233 11.5167 11.5167 11.5310 11.5310 k = 0.5000-0.0000 0.0349 ( 4162 PWs) bands (ev): -6.7226 -6.7226 -6.7224 -6.7224 -3.6603 -3.6603 -3.6597 -3.6597 1.8989 1.8989 1.9054 1.9054 3.2455 3.2455 3.3247 3.3247 3.5535 3.5535 3.6419 3.6419 4.2153 4.2153 4.2187 4.2187 4.9919 4.9919 4.9940 4.9940 5.4616 5.4616 5.4693 5.4693 5.5871 5.5871 5.5937 5.5937 5.8656 5.8656 5.8684 5.8684 6.7835 6.7835 6.7844 6.7844 7.2689 7.2689 7.2778 7.2778 9.6021 9.6021 9.6096 9.6096 11.4997 11.4997 11.5104 11.5104 k = 0.5000-0.0000 0.0233 ( 4156 PWs) bands (ev): -6.7233 -6.7233 -6.7232 -6.7232 -3.6582 -3.6582 -3.6578 -3.6578 1.9017 1.9017 1.9060 1.9060 3.2779 3.2779 3.3447 3.3447 3.5292 3.5292 3.6024 3.6024 4.2048 4.2048 4.2073 4.2073 4.9929 4.9929 4.9943 4.9943 5.4643 5.4643 5.4695 5.4695 5.5883 5.5883 5.5929 5.5929 5.8720 5.8720 5.8739 5.8739 6.8116 6.8116 6.8121 6.8121 7.2465 7.2465 7.2525 7.2525 9.5946 9.5946 9.5996 9.5996 11.4876 11.4876 11.4948 11.4948 k = 0.5000-0.0000 0.0116 ( 4156 PWs) bands (ev): -6.7237 -6.7237 -6.7237 -6.7237 -3.6569 -3.6569 -3.6567 -3.6567 1.9038 1.9038 1.9060 1.9060 3.3091 3.3091 3.3494 3.3494 3.5224 3.5224 3.5659 3.5659 4.1990 4.1990 4.2003 4.2003 4.9936 4.9936 4.9943 4.9943 5.4665 5.4665 5.4691 5.4691 5.5895 5.5895 5.5918 5.5918 5.8761 5.8761 5.8770 5.8770 6.8305 6.8305 6.8307 6.8307 7.2316 7.2316 7.2346 7.2346 9.5906 9.5906 9.5931 9.5931 11.4809 11.4809 11.4845 11.4845 k = 0.5000-0.0000-0.0000 ( 4156 PWs) bands (ev): -6.7238 -6.7238 -6.7238 -6.7238 -3.6564 -3.6564 -3.6564 -3.6564 1.9053 1.9053 1.9053 1.9053 3.3353 3.3353 3.3353 3.3353 3.5368 3.5368 3.5368 3.5368 4.1975 4.1975 4.1975 4.1975 4.9941 4.9941 4.9941 4.9941 5.4681 5.4681 5.4681 5.4681 5.5907 5.5907 5.5907 5.5907 5.8777 5.8777 5.8777 5.8777 6.8373 6.8373 6.8373 6.8373 7.2272 7.2272 7.2272 7.2272 9.5901 9.5901 9.5901 9.5901 11.4798 11.4798 11.4798 11.4798 k = 0.5000 0.3730-0.0000 ( 4148 PWs) bands (ev): -6.5357 -6.5357 -6.5345 -6.5345 -4.0308 -4.0308 -4.0280 -4.0280 2.6734 2.6734 2.7738 2.7738 2.8091 2.8091 2.8410 2.8410 3.3733 3.3733 3.4776 3.4776 3.9520 3.9520 4.1180 4.1180 4.4414 4.4414 4.4439 4.4439 5.2543 5.2543 5.3784 5.3784 5.4604 5.4604 5.5211 5.5211 5.6106 5.6106 5.6348 5.6348 6.5705 6.5705 6.5989 6.5989 8.9804 8.9804 9.0635 9.0635 10.1387 10.1387 10.2405 10.2405 13.5130 13.5130 13.6451 13.6451 k = 0.5000 0.3730 0.0116 ( 4140 PWs) bands (ev): -6.5355 -6.5355 -6.5343 -6.5343 -4.0310 -4.0310 -4.0282 -4.0282 2.6575 2.6575 2.7427 2.7427 2.8202 2.8202 2.8678 2.8678 3.3727 3.3727 3.4789 3.4789 3.9586 3.9586 4.1229 4.1229 4.4421 4.4421 4.4446 4.4446 5.2551 5.2551 5.3791 5.3791 5.4606 5.4606 5.5211 5.5211 5.6107 5.6107 5.6350 5.6350 6.5717 6.5717 6.5999 6.5999 8.9792 8.9792 9.0624 9.0624 10.1356 10.1356 10.2372 10.2372 13.5074 13.5074 13.6389 13.6389 k = 0.5000 0.3730 0.0233 ( 4132 PWs) bands (ev): -6.5352 -6.5352 -6.5340 -6.5340 -4.0315 -4.0315 -4.0287 -4.0287 2.6208 2.6208 2.6904 2.6904 2.8419 2.8419 2.9058 2.9058 3.3731 3.3731 3.4837 3.4837 3.9772 3.9772 4.1372 4.1372 4.4443 4.4443 4.4467 4.4467 5.2577 5.2577 5.3812 5.3812 5.4614 5.4614 5.5210 5.5210 5.6108 5.6108 5.6354 5.6354 6.5754 6.5754 6.6029 6.6029 8.9758 8.9758 9.0591 9.0591 10.1265 10.1265 10.2274 10.2274 13.4910 13.4910 13.6208 13.6208 k = 0.5000 0.3730 0.0349 ( 4128 PWs) bands (ev): -6.5345 -6.5345 -6.5334 -6.5334 -4.0322 -4.0322 -4.0295 -4.0295 2.5758 2.5758 2.6351 2.6351 2.8607 2.8607 2.9337 2.9337 3.3799 3.3799 3.4944 3.4944 4.0058 4.0058 4.1594 4.1594 4.4482 4.4482 4.4502 4.4502 5.2620 5.2620 5.3845 5.3845 5.4628 5.4628 5.5209 5.5209 5.6111 5.6111 5.6360 5.6360 6.5815 6.5815 6.6079 6.6079 8.9699 8.9699 9.0534 9.0534 10.1114 10.1114 10.2112 10.2112 13.4646 13.4646 13.5916 13.5916 k = 0.5000 0.3730 0.0465 ( 4132 PWs) bands (ev): -6.5337 -6.5337 -6.5325 -6.5325 -4.0333 -4.0333 -4.0306 -4.0306 2.5279 2.5279 2.5799 2.5799 2.8700 2.8700 2.9447 2.9447 3.3989 3.3989 3.5135 3.5135 4.0415 4.0415 4.1875 4.1875 4.4539 4.4539 4.4553 4.4553 5.2679 5.2679 5.3889 5.3889 5.4647 5.4647 5.5206 5.5206 5.6115 5.6115 5.6368 5.6368 6.5902 6.5902 6.6150 6.6150 8.9617 8.9617 9.0455 9.0455 10.0903 10.0903 10.1884 10.1884 13.4296 13.4296 13.5529 13.5529 k = 0.5000 0.3730 0.0581 ( 4124 PWs) bands (ev): -6.5326 -6.5326 -6.5314 -6.5314 -4.0347 -4.0347 -4.0320 -4.0320 2.4795 2.4795 2.5260 2.5260 2.8674 2.8674 2.9372 2.9372 3.4330 3.4330 3.5426 3.5426 4.0815 4.0815 4.2193 4.2193 4.4619 4.4619 4.4623 4.4623 5.2755 5.2755 5.3942 5.3942 5.4675 5.4675 5.5204 5.5204 5.6121 5.6121 5.6380 5.6380 6.6017 6.6017 6.6244 6.6244 8.9511 8.9511 9.0351 9.0351 10.0633 10.0633 10.1594 10.1594 13.3876 13.3876 13.5065 13.5065 k = 0.5000 0.3730 0.0698 ( 4128 PWs) bands (ev): -6.5313 -6.5313 -6.5302 -6.5302 -4.0363 -4.0363 -4.0337 -4.0337 2.4319 2.4319 2.4740 2.4740 2.8531 2.8531 2.9138 2.9138 3.4805 3.4805 3.5817 3.5817 4.1237 4.1237 4.2524 4.2524 4.4714 4.4714 4.4729 4.4729 5.2847 5.2847 5.4002 5.4002 5.4713 5.4713 5.5200 5.5200 5.6129 5.6129 5.6394 5.6394 6.6161 6.6161 6.6363 6.6363 8.9379 8.9379 9.0223 9.0223 10.0306 10.0306 10.1241 10.1241 13.3405 13.3405 13.4544 13.4544 k = 0.5000 0.3730 0.0814 ( 4132 PWs) bands (ev): -6.5298 -6.5298 -6.5287 -6.5287 -4.0382 -4.0382 -4.0356 -4.0356 2.3859 2.3859 2.4245 2.4245 2.8286 2.8286 2.8788 2.8788 3.5378 3.5378 3.6294 3.6294 4.1659 4.1659 4.2847 4.2847 4.4831 4.4831 4.4877 4.4877 5.2953 5.2953 5.4063 5.4063 5.4764 5.4764 5.5196 5.5196 5.6140 5.6140 5.6411 5.6411 6.6336 6.6336 6.6508 6.6508 8.9219 8.9219 9.0068 9.0068 9.9924 9.9924 10.0829 10.0829 13.2900 13.2900 13.3983 13.3983 k = 0.5000 0.3730 0.0930 ( 4136 PWs) bands (ev): -6.5281 -6.5281 -6.5271 -6.5271 -4.0403 -4.0403 -4.0378 -4.0378 2.3420 2.3420 2.3778 2.3778 2.7962 2.7962 2.8363 2.8363 3.6013 3.6013 3.6834 3.6834 4.2064 4.2064 4.3142 4.3142 4.4979 4.4979 4.5072 4.5072 5.3072 5.3072 5.4122 5.4122 5.4830 5.4830 5.5191 5.5191 5.6154 5.6154 5.6432 5.6432 6.6544 6.6544 6.6681 6.6681 8.9032 8.9032 8.9886 8.9886 9.9491 9.9491 10.0360 10.0360 13.2377 13.2377 13.3402 13.3402 k = 0.5000 0.3730 0.1047 ( 4140 PWs) bands (ev): -6.5263 -6.5263 -6.5253 -6.5253 -4.0426 -4.0426 -4.0402 -4.0402 2.3007 2.3007 2.3340 2.3340 2.7581 2.7581 2.7892 2.7892 3.6682 3.6682 3.7417 3.7417 4.2440 4.2440 4.3396 4.3396 4.5164 4.5164 4.5318 4.5318 5.3201 5.3201 5.4175 5.4175 5.4912 5.4912 5.5186 5.5186 5.6173 5.6173 5.6457 5.6457 6.6789 6.6789 6.6886 6.6886 8.8813 8.8813 8.9673 8.9673 9.9012 9.9012 9.9841 9.9841 13.1851 13.1851 13.2816 13.2816 k = 0.5000 0.3730 0.1163 ( 4140 PWs) bands (ev): -6.5244 -6.5244 -6.5234 -6.5234 -4.0450 -4.0450 -4.0427 -4.0427 2.2621 2.2621 2.2934 2.2934 2.7161 2.7161 2.7396 2.7396 3.7364 3.7364 3.8023 3.8023 4.2776 4.2776 4.3606 4.3606 4.5391 4.5391 4.5616 4.5616 5.3337 5.3337 5.4218 5.4218 5.5009 5.5009 5.5182 5.5182 5.6200 5.6200 5.6486 5.6486 6.7072 6.7072 6.7126 6.7126 8.8561 8.8561 8.9427 8.9427 9.8492 9.8492 9.9276 9.9276 13.1336 13.1336 13.2237 13.2237 k = 0.5000 0.3730 0.1279 ( 4148 PWs) bands (ev): -6.5224 -6.5224 -6.5214 -6.5214 -4.0475 -4.0475 -4.0454 -4.0454 2.2265 2.2265 2.2562 2.2562 2.6717 2.6717 2.6887 2.6887 3.8044 3.8044 3.8633 3.8633 4.3066 4.3066 4.3774 4.3774 4.5661 4.5661 4.5956 4.5956 5.3476 5.3476 5.4250 5.4250 5.5116 5.5116 5.5177 5.5177 5.6235 5.6235 5.6519 5.6519 6.7396 6.7396 6.7403 6.7403 8.8273 8.8273 8.9145 8.9145 9.7940 9.7940 9.8675 9.8675 13.0840 13.0840 13.1677 13.1677 k = 0.5000 0.3730 0.1396 ( 4136 PWs) bands (ev): -6.5203 -6.5203 -6.5193 -6.5193 -4.0502 -4.0502 -4.0481 -4.0481 2.1941 2.1941 2.2223 2.2223 2.6259 2.6259 2.6375 2.6375 3.8708 3.8708 3.9234 3.9234 4.3312 4.3312 4.3912 4.3912 4.5975 4.5975 4.6330 4.6330 5.3614 5.3614 5.4273 5.4273 5.5176 5.5176 5.5226 5.5226 5.6282 5.6282 5.6557 5.6557 6.7721 6.7721 6.7763 6.7763 8.7945 8.7945 8.8822 8.8822 9.7365 9.7365 9.8048 9.8048 13.0372 13.0372 13.1145 13.1145 k = 0.5000 0.3730 0.1512 ( 4140 PWs) bands (ev): -6.5181 -6.5181 -6.5173 -6.5173 -4.0529 -4.0529 -4.0509 -4.0509 2.1650 2.1650 2.1920 2.1920 2.5798 2.5798 2.5867 2.5867 3.9343 3.9343 3.9811 3.9811 4.3517 4.3517 4.4027 4.4027 4.6326 4.6326 4.6729 4.6729 5.3742 5.3742 5.4286 5.4286 5.5177 5.5177 5.5331 5.5331 5.6344 5.6344 5.6600 5.6600 6.8079 6.8079 6.8174 6.8174 8.7572 8.7572 8.8454 8.8454 9.6777 9.6777 9.7405 9.7405 12.9937 12.9937 13.0645 13.0645 k = 0.5000 0.3730 0.1628 ( 4140 PWs) bands (ev): -6.5160 -6.5160 -6.5152 -6.5152 -4.0555 -4.0555 -4.0537 -4.0537 2.1393 2.1393 2.1652 2.1652 2.5338 2.5338 2.5369 2.5369 3.9941 3.9941 4.0353 4.0353 4.3690 4.3690 4.4124 4.4124 4.6709 4.6709 4.7146 4.7146 5.3856 5.3856 5.4291 5.4291 5.5183 5.5183 5.5423 5.5423 5.6423 5.6423 5.6648 5.6648 6.8482 6.8482 6.8630 6.8630 8.7150 8.7150 8.8035 8.8035 9.6189 9.6189 9.6760 9.6760 12.9539 12.9539 13.0183 13.0183 k = 0.5000 0.3730 0.1744 ( 4144 PWs) bands (ev): -6.5138 -6.5138 -6.5131 -6.5131 -4.0582 -4.0582 -4.0565 -4.0565 2.1171 2.1171 2.1421 2.1421 2.4884 2.4884 2.4886 2.4886 4.0493 4.0493 4.0852 4.0852 4.3836 4.3836 4.4210 4.4210 4.7117 4.7117 4.7578 4.7578 5.3950 5.3950 5.4287 5.4287 5.5197 5.5197 5.5500 5.5500 5.6517 5.6517 5.6700 5.6700 6.8931 6.8931 6.9132 6.9132 8.6677 8.6677 8.7562 8.7562 9.5613 9.5613 9.6126 9.6126 12.9180 12.9180 12.9761 12.9761 k = 0.5000 0.3730 0.1861 ( 4140 PWs) bands (ev): -6.5118 -6.5118 -6.5111 -6.5111 -4.0608 -4.0608 -4.0592 -4.0592 2.0985 2.0985 2.1226 2.1226 2.4416 2.4416 2.4446 2.4446 4.0993 4.0993 4.1302 4.1302 4.3963 4.3963 4.4286 4.4286 4.7543 4.7543 4.8020 4.8020 5.4018 5.4018 5.4274 5.4274 5.5219 5.5219 5.5559 5.5559 5.6622 5.6622 5.6757 5.6757 6.9424 6.9424 6.9677 6.9677 8.6149 8.6149 8.7031 8.7031 9.5062 9.5062 9.5518 9.5518 12.8861 12.8861 12.9380 12.9380 k = 0.5000 0.3730 0.1977 ( 4136 PWs) bands (ev): -6.5098 -6.5098 -6.5092 -6.5092 -4.0633 -4.0633 -4.0618 -4.0618 2.0834 2.0834 2.1067 2.1067 2.3968 2.3968 2.4022 2.4022 4.1435 4.1435 4.1698 4.1698 4.4074 4.4074 4.4353 4.4353 4.7982 4.7982 4.8466 4.8466 5.4058 5.4058 5.4253 5.4253 5.5250 5.5250 5.5601 5.5601 5.6733 5.6733 5.6818 5.6818 6.9962 6.9962 7.0264 7.0264 8.5566 8.5566 8.6440 8.6440 9.4547 9.4547 9.4948 9.4948 12.8582 12.8582 12.9041 12.9041 k = 0.5000 0.3730 0.2093 ( 4136 PWs) bands (ev): -6.5079 -6.5079 -6.5074 -6.5074 -4.0656 -4.0656 -4.0643 -4.0643 2.0720 2.0720 2.0945 2.0945 2.3540 2.3540 2.3615 2.3615 4.1821 4.1821 4.2040 4.2040 4.4172 4.4172 4.4412 4.4412 4.8427 4.8427 4.8910 4.8910 5.4069 5.4069 5.4223 5.4223 5.5288 5.5288 5.5631 5.5631 5.6844 5.6844 5.6881 5.6881 7.0542 7.0542 7.0889 7.0889 8.4933 8.4933 8.5791 8.5791 9.4077 9.4077 9.4425 9.4425 12.8341 12.8341 12.8742 12.8742 k = 0.5000 0.3730 0.2210 ( 4140 PWs) bands (ev): -6.5062 -6.5062 -6.5057 -6.5057 -4.0677 -4.0677 -4.0666 -4.0666 2.0641 2.0641 2.0860 2.0860 2.3137 2.3137 2.3230 2.3230 4.2149 4.2149 4.2329 4.2329 4.4258 4.4258 4.4462 4.4462 4.8869 4.8869 4.9342 4.9342 5.4054 5.4054 5.4183 5.4183 5.5333 5.5333 5.5650 5.5650 5.6945 5.6945 5.6948 5.6948 7.1159 7.1159 7.1545 7.1545 8.4255 8.4255 8.5089 8.5089 9.3659 9.3659 9.3958 9.3958 12.8138 12.8138 12.8482 12.8482 k = 0.5000 0.3730 0.2326 ( 4136 PWs) bands (ev): -6.5046 -6.5046 -6.5042 -6.5042 -4.0696 -4.0696 -4.0687 -4.0687 2.0599 2.0599 2.0811 2.0811 2.2759 2.2759 2.2868 2.2868 4.2423 4.2423 4.2569 4.2569 4.4333 4.4333 4.4506 4.4506 4.9299 4.9299 4.9752 4.9752 5.4018 5.4018 5.4135 5.4135 5.5379 5.5379 5.5660 5.5660 5.7008 5.7008 5.7041 5.7041 7.1807 7.1807 7.2224 7.2224 8.3546 8.3546 8.4347 8.4347 9.3298 9.3298 9.3550 9.3550 12.7971 12.7971 12.8261 12.8261 k = 0.5000 0.3730 0.2442 ( 4136 PWs) bands (ev): -6.5033 -6.5033 -6.5029 -6.5029 -4.0713 -4.0713 -4.0705 -4.0705 2.0592 2.0592 2.0798 2.0798 2.2408 2.2408 2.2530 2.2530 4.2647 4.2647 4.2762 4.2762 4.4399 4.4399 4.4540 4.4540 4.9707 4.9707 5.0128 5.0128 5.3965 5.3965 5.4076 5.4076 5.5425 5.5425 5.5663 5.5663 5.7069 5.7069 5.7121 5.7121 7.2475 7.2475 7.2911 7.2911 8.2823 8.2823 8.3579 8.3579 9.2995 9.2995 9.3203 9.3203 12.7837 12.7837 12.8074 12.8074 k = 0.5000 0.3730 0.2559 ( 4148 PWs) bands (ev): -6.5021 -6.5021 -6.5018 -6.5018 -4.0727 -4.0727 -4.0720 -4.0720 2.0621 2.0621 2.0820 2.0820 2.2085 2.2085 2.2219 2.2219 4.2825 4.2825 4.2913 4.2913 4.4454 4.4454 4.4565 4.4565 5.0082 5.0082 5.0455 5.0455 5.3905 5.3905 5.4011 5.4011 5.5468 5.5468 5.5660 5.5660 5.7125 5.7125 5.7183 5.7183 7.3148 7.3148 7.3586 7.3586 8.2115 8.2115 8.2808 8.2808 9.2752 9.2752 9.2917 9.2917 12.7734 12.7734 12.7922 12.7922 k = 0.5000 0.3730 0.2675 ( 4168 PWs) bands (ev): -6.5012 -6.5012 -6.5010 -6.5010 -4.0737 -4.0737 -4.0733 -4.0733 2.0685 2.0685 2.0877 2.0877 2.1792 2.1792 2.1936 2.1936 4.2961 4.2961 4.3025 4.3025 4.4499 4.4499 4.4582 4.4582 5.0411 5.0411 5.0718 5.0718 5.3845 5.3845 5.3941 5.3941 5.5507 5.5507 5.5652 5.5652 5.7175 5.7175 5.7229 5.7229 7.3801 7.3801 7.4213 7.4213 8.1461 8.1461 8.2064 8.2064 9.2569 9.2569 9.2692 9.2692 12.7662 12.7662 12.7801 12.7801 k = 0.5000 0.3730 0.2791 ( 4168 PWs) bands (ev): -6.5005 -6.5005 -6.5004 -6.5004 -4.0745 -4.0745 -4.0742 -4.0742 2.0783 2.0783 2.0967 2.0967 2.1531 2.1531 2.1683 2.1683 4.3059 4.3059 4.3100 4.3100 4.4536 4.4536 4.4590 4.4590 5.0681 5.0681 5.0903 5.0903 5.3799 5.3799 5.3874 5.3874 5.5543 5.5543 5.5640 5.5640 5.7217 5.7217 5.7257 5.7257 7.4393 7.4393 7.4733 7.4733 8.0927 8.0927 8.1393 8.1393 9.2444 9.2444 9.2526 9.2526 12.7618 12.7618 12.7709 12.7709 k = 0.5000 0.3730 0.2907 ( 4168 PWs) bands (ev): -6.5001 -6.5001 -6.5000 -6.5000 -4.0749 -4.0749 -4.0748 -4.0748 2.0914 2.0914 2.1080 2.1080 2.1311 2.1311 2.1463 2.1463 4.3120 4.3120 4.3140 4.3140 4.4563 4.4563 4.4590 4.4590 5.0877 5.0877 5.0994 5.0994 5.3776 5.3776 5.3818 5.3818 5.5574 5.5574 5.5622 5.5622 5.7247 5.7247 5.7269 5.7269 7.4859 7.4859 7.5059 7.5059 8.0604 8.0604 8.0867 8.0867 9.2378 9.2378 9.2419 9.2419 12.7600 12.7600 12.7646 12.7646 k = 0.5000 0.3730 0.3024 ( 4168 PWs) bands (ev): -6.4999 -6.4999 -6.4999 -6.4999 -4.0750 -4.0750 -4.0750 -4.0750 2.1067 2.1067 2.1067 2.1067 2.1285 2.1285 2.1285 2.1285 4.3147 4.3147 4.3147 4.3147 4.4581 4.4581 4.4581 4.4581 5.0985 5.0985 5.0985 5.0985 5.3783 5.3783 5.3783 5.3783 5.5601 5.5601 5.5601 5.5601 5.7266 5.7266 5.7266 5.7266 7.5105 7.5105 7.5105 7.5105 8.0579 8.0579 8.0579 8.0579 9.2370 9.2370 9.2370 9.2370 12.7610 12.7610 12.7610 12.7610 Writing output data file CuSe2.save init_run : 0.15s CPU 0.32s WALL ( 1 calls) electrons : 141.32s CPU 144.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 141.31s CPU 144.07s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 412 calls) cegterg : 127.46s CPU 129.14s WALL ( 412 calls) Called by sum_band: Called by *egterg: h_psi : 73.39s CPU 74.88s WALL ( 7168 calls) s_psi : 4.08s CPU 4.14s WALL ( 7168 calls) g_psi : 0.21s CPU 0.25s WALL ( 6344 calls) cdiaghg : 44.20s CPU 44.73s WALL ( 6756 calls) cegterg:over : 6.24s CPU 6.15s WALL ( 6344 calls) cegterg:upda : 4.49s CPU 4.60s WALL ( 6344 calls) cegterg:last : 3.38s CPU 3.34s WALL ( 1236 calls) cdiaghg:chol : 2.63s CPU 2.50s WALL ( 6756 calls) cdiaghg:inve : 1.51s CPU 1.60s WALL ( 6756 calls) cdiaghg:para : 2.78s CPU 2.74s WALL ( 13512 calls) Called by h_psi: h_psi:vloc : 62.90s CPU 64.37s WALL ( 7168 calls) h_psi:vnl : 10.24s CPU 10.27s WALL ( 7168 calls) add_vuspsi : 4.80s CPU 4.89s WALL ( 7168 calls) General routines calbec : 5.42s CPU 5.36s WALL ( 7168 calls) fft : 0.02s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.43s CPU 60.65s WALL ( 853284 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 0.30s WALL ( 824 calls) Parallel routines fft_scatter : 23.92s CPU 24.74s WALL ( 853307 calls) PWSCF : 2m41.51s CPU 3m 0.63s WALL This run was terminated on: 17:55:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=