Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:32:46 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 30 9 1501 1020 165 Max 40 31 11 1508 1039 169 Sum 1261 987 295 48125 32917 5345 bravais-lattice index = 14 lattice parameter (alat) = 7.0676 a.u. unit-cell volume = 780.9104 (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)= 7.067575 celldm(2)= 1.338235 celldm(3)= 1.652941 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 1.338235 0.000000 ) a(3) = ( 0.000000 0.000000 1.652941 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.747253 -0.000000 ) b(3) = ( 0.000000 0.000000 0.604982 ) PseudoPot. # 1 for Se read from file: /home/autes/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: /home/autes/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 ) ( 0.6691176 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8264706 ) 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 ) ( 0.6691176 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8264706 ) 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 ) ( 0.6691176 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8264706 ) 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 ) ( 0.6691176 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8264706 ) 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: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 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 0.0116758 -0.0000000), wk = 0.0024272 k( 46) = ( 0.5000000 0.0233516 -0.0000000), wk = 0.0024272 k( 47) = ( 0.5000000 0.0350275 -0.0000000), wk = 0.0024272 k( 48) = ( 0.5000000 0.0467033 -0.0000000), wk = 0.0024272 k( 49) = ( 0.5000000 0.0583791 -0.0000000), wk = 0.0024272 k( 50) = ( 0.5000000 0.0700549 -0.0000000), wk = 0.0024272 k( 51) = ( 0.5000000 0.0817308 -0.0000000), wk = 0.0024272 k( 52) = ( 0.5000000 0.0934066 -0.0000000), wk = 0.0024272 k( 53) = ( 0.5000000 0.1050824 -0.0000000), wk = 0.0024272 k( 54) = ( 0.5000000 0.1167582 -0.0000000), wk = 0.0024272 k( 55) = ( 0.5000000 0.1284341 -0.0000000), wk = 0.0024272 k( 56) = ( 0.5000000 0.1401099 -0.0000000), wk = 0.0024272 k( 57) = ( 0.5000000 0.1517857 -0.0000000), wk = 0.0024272 k( 58) = ( 0.5000000 0.1634615 -0.0000000), wk = 0.0024272 k( 59) = ( 0.5000000 0.1751374 -0.0000000), wk = 0.0024272 k( 60) = ( 0.5000000 0.1868132 -0.0000000), wk = 0.0024272 k( 61) = ( 0.5000000 0.1984890 -0.0000000), wk = 0.0024272 k( 62) = ( 0.5000000 0.2101648 -0.0000000), wk = 0.0024272 k( 63) = ( 0.5000000 0.2218407 -0.0000000), wk = 0.0024272 k( 64) = ( 0.5000000 0.2335165 -0.0000000), wk = 0.0024272 k( 65) = ( 0.5000000 0.2451923 -0.0000000), wk = 0.0024272 k( 66) = ( 0.5000000 0.2568681 -0.0000000), wk = 0.0024272 k( 67) = ( 0.5000000 0.2685440 -0.0000000), wk = 0.0024272 k( 68) = ( 0.5000000 0.2802198 -0.0000000), wk = 0.0024272 k( 69) = ( 0.5000000 0.2918956 -0.0000000), wk = 0.0024272 k( 70) = ( 0.5000000 0.3035714 -0.0000000), wk = 0.0024272 k( 71) = ( 0.5000000 0.3152473 -0.0000000), wk = 0.0024272 k( 72) = ( 0.5000000 0.3269231 -0.0000000), wk = 0.0024272 k( 73) = ( 0.5000000 0.3385989 -0.0000000), wk = 0.0024272 k( 74) = ( 0.5000000 0.3502747 -0.0000000), wk = 0.0024272 k( 75) = ( 0.5000000 0.3619505 -0.0000000), wk = 0.0024272 k( 76) = ( 0.5000000 0.3736264 -0.0000000), wk = 0.0024272 k( 77) = ( 0.5000000 0.3736264 -0.0000000), wk = 0.0024272 k( 78) = ( 0.4880952 0.3736264 -0.0000000), wk = 0.0024272 k( 79) = ( 0.4761905 0.3736264 -0.0000000), wk = 0.0024272 k( 80) = ( 0.4642857 0.3736264 -0.0000000), wk = 0.0024272 k( 81) = ( 0.4523810 0.3736264 -0.0000000), wk = 0.0024272 k( 82) = ( 0.4404762 0.3736264 -0.0000000), wk = 0.0024272 k( 83) = ( 0.4285714 0.3736264 -0.0000000), wk = 0.0024272 k( 84) = ( 0.4166667 0.3736264 -0.0000000), wk = 0.0024272 k( 85) = ( 0.4047619 0.3736264 -0.0000000), wk = 0.0024272 k( 86) = ( 0.3928571 0.3736264 -0.0000000), wk = 0.0024272 k( 87) = ( 0.3809524 0.3736264 -0.0000000), wk = 0.0024272 k( 88) = ( 0.3690476 0.3736264 -0.0000000), wk = 0.0024272 k( 89) = ( 0.3571429 0.3736264 -0.0000000), wk = 0.0024272 k( 90) = ( 0.3452381 0.3736264 -0.0000000), wk = 0.0024272 k( 91) = ( 0.3333333 0.3736264 -0.0000000), wk = 0.0024272 k( 92) = ( 0.3214286 0.3736264 -0.0000000), wk = 0.0024272 k( 93) = ( 0.3095238 0.3736264 -0.0000000), wk = 0.0024272 k( 94) = ( 0.2976190 0.3736264 -0.0000000), wk = 0.0024272 k( 95) = ( 0.2857143 0.3736264 -0.0000000), wk = 0.0024272 k( 96) = ( 0.2738095 0.3736264 -0.0000000), wk = 0.0024272 k( 97) = ( 0.2619048 0.3736264 -0.0000000), wk = 0.0024272 k( 98) = ( 0.2500000 0.3736264 -0.0000000), wk = 0.0024272 k( 99) = ( 0.2380952 0.3736264 -0.0000000), wk = 0.0024272 k( 100) = ( 0.2261905 0.3736264 -0.0000000), wk = 0.0024272 k( 101) = ( 0.2142857 0.3736264 -0.0000000), wk = 0.0024272 k( 102) = ( 0.2023810 0.3736264 -0.0000000), wk = 0.0024272 k( 103) = ( 0.1904762 0.3736264 -0.0000000), wk = 0.0024272 k( 104) = ( 0.1785714 0.3736264 -0.0000000), wk = 0.0024272 k( 105) = ( 0.1666667 0.3736264 -0.0000000), wk = 0.0024272 k( 106) = ( 0.1547619 0.3736264 -0.0000000), wk = 0.0024272 k( 107) = ( 0.1428571 0.3736264 -0.0000000), wk = 0.0024272 k( 108) = ( 0.1309524 0.3736264 -0.0000000), wk = 0.0024272 k( 109) = ( 0.1190476 0.3736264 -0.0000000), wk = 0.0024272 k( 110) = ( 0.1071429 0.3736264 -0.0000000), wk = 0.0024272 k( 111) = ( 0.0952381 0.3736264 -0.0000000), wk = 0.0024272 k( 112) = ( 0.0833333 0.3736264 -0.0000000), wk = 0.0024272 k( 113) = ( 0.0714286 0.3736264 -0.0000000), wk = 0.0024272 k( 114) = ( 0.0595238 0.3736264 -0.0000000), wk = 0.0024272 k( 115) = ( 0.0476191 0.3736264 -0.0000000), wk = 0.0024272 k( 116) = ( 0.0357143 0.3736264 -0.0000000), wk = 0.0024272 k( 117) = ( 0.0238095 0.3736264 -0.0000000), wk = 0.0024272 k( 118) = ( 0.0119048 0.3736264 -0.0000000), wk = 0.0024272 k( 119) = ( 0.0000000 0.3736264 -0.0000000), wk = 0.0024272 k( 120) = ( 0.0000000 0.3736264 -0.0000000), wk = 0.0024272 k( 121) = ( 0.0000000 0.3619505 -0.0000000), wk = 0.0024272 k( 122) = ( 0.0000000 0.3502747 -0.0000000), wk = 0.0024272 k( 123) = ( 0.0000000 0.3385989 -0.0000000), wk = 0.0024272 k( 124) = ( 0.0000000 0.3269231 -0.0000000), wk = 0.0024272 k( 125) = ( 0.0000000 0.3152473 -0.0000000), wk = 0.0024272 k( 126) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0024272 k( 127) = ( 0.0000000 0.2918956 -0.0000000), wk = 0.0024272 k( 128) = ( 0.0000000 0.2802198 -0.0000000), wk = 0.0024272 k( 129) = ( 0.0000000 0.2685440 -0.0000000), wk = 0.0024272 k( 130) = ( 0.0000000 0.2568681 -0.0000000), wk = 0.0024272 k( 131) = ( 0.0000000 0.2451923 -0.0000000), wk = 0.0024272 k( 132) = ( 0.0000000 0.2335165 -0.0000000), wk = 0.0024272 k( 133) = ( 0.0000000 0.2218407 -0.0000000), wk = 0.0024272 k( 134) = ( 0.0000000 0.2101648 -0.0000000), wk = 0.0024272 k( 135) = ( 0.0000000 0.1984890 -0.0000000), wk = 0.0024272 k( 136) = ( 0.0000000 0.1868132 -0.0000000), wk = 0.0024272 k( 137) = ( 0.0000000 0.1751374 -0.0000000), wk = 0.0024272 k( 138) = ( 0.0000000 0.1634615 -0.0000000), wk = 0.0024272 k( 139) = ( 0.0000000 0.1517857 -0.0000000), wk = 0.0024272 k( 140) = ( 0.0000000 0.1401099 -0.0000000), wk = 0.0024272 k( 141) = ( 0.0000000 0.1284341 -0.0000000), wk = 0.0024272 k( 142) = ( 0.0000000 0.1167582 -0.0000000), wk = 0.0024272 k( 143) = ( 0.0000000 0.1050824 -0.0000000), wk = 0.0024272 k( 144) = ( 0.0000000 0.0934066 -0.0000000), wk = 0.0024272 k( 145) = ( 0.0000000 0.0817308 -0.0000000), wk = 0.0024272 k( 146) = ( 0.0000000 0.0700549 -0.0000000), wk = 0.0024272 k( 147) = ( 0.0000000 0.0583791 -0.0000000), wk = 0.0024272 k( 148) = ( 0.0000000 0.0467033 -0.0000000), wk = 0.0024272 k( 149) = ( 0.0000000 0.0350275 -0.0000000), wk = 0.0024272 k( 150) = ( 0.0000000 0.0233516 -0.0000000), wk = 0.0024272 k( 151) = ( 0.0000000 0.0116758 -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 0.0116343), wk = 0.0024272 k( 155) = ( 0.0000000 0.0000000 0.0232685), wk = 0.0024272 k( 156) = ( 0.0000000 0.0000000 0.0349028), wk = 0.0024272 k( 157) = ( 0.0000000 0.0000000 0.0465371), wk = 0.0024272 k( 158) = ( 0.0000000 0.0000000 0.0581714), wk = 0.0024272 k( 159) = ( 0.0000000 0.0000000 0.0698056), wk = 0.0024272 k( 160) = ( 0.0000000 0.0000000 0.0814399), wk = 0.0024272 k( 161) = ( 0.0000000 0.0000000 0.0930742), wk = 0.0024272 k( 162) = ( 0.0000000 0.0000000 0.1047085), wk = 0.0024272 k( 163) = ( 0.0000000 0.0000000 0.1163427), wk = 0.0024272 k( 164) = ( 0.0000000 0.0000000 0.1279770), wk = 0.0024272 k( 165) = ( 0.0000000 0.0000000 0.1396113), wk = 0.0024272 k( 166) = ( 0.0000000 0.0000000 0.1512456), wk = 0.0024272 k( 167) = ( 0.0000000 0.0000000 0.1628798), wk = 0.0024272 k( 168) = ( 0.0000000 0.0000000 0.1745141), wk = 0.0024272 k( 169) = ( 0.0000000 0.0000000 0.1861484), wk = 0.0024272 k( 170) = ( 0.0000000 0.0000000 0.1977826), wk = 0.0024272 k( 171) = ( 0.0000000 0.0000000 0.2094169), wk = 0.0024272 k( 172) = ( 0.0000000 0.0000000 0.2210512), wk = 0.0024272 k( 173) = ( 0.0000000 0.0000000 0.2326855), wk = 0.0024272 k( 174) = ( 0.0000000 0.0000000 0.2443197), wk = 0.0024272 k( 175) = ( 0.0000000 0.0000000 0.2559540), wk = 0.0024272 k( 176) = ( 0.0000000 0.0000000 0.2675883), wk = 0.0024272 k( 177) = ( 0.0000000 0.0000000 0.2792226), wk = 0.0024272 k( 178) = ( 0.0000000 0.0000000 0.2908568), wk = 0.0024272 k( 179) = ( 0.0000000 0.0000000 0.3024911), wk = 0.0024272 k( 180) = ( 0.0000000 0.0000000 0.3024911), wk = 0.0024272 k( 181) = ( 0.0119048 -0.0000000 0.3024911), wk = 0.0024272 k( 182) = ( 0.0238095 -0.0000000 0.3024911), wk = 0.0024272 k( 183) = ( 0.0357143 -0.0000000 0.3024911), wk = 0.0024272 k( 184) = ( 0.0476191 -0.0000000 0.3024911), wk = 0.0024272 k( 185) = ( 0.0595238 -0.0000000 0.3024911), wk = 0.0024272 k( 186) = ( 0.0714286 -0.0000000 0.3024911), wk = 0.0024272 k( 187) = ( 0.0833333 -0.0000000 0.3024911), wk = 0.0024272 k( 188) = ( 0.0952381 -0.0000000 0.3024911), wk = 0.0024272 k( 189) = ( 0.1071429 -0.0000000 0.3024911), wk = 0.0024272 k( 190) = ( 0.1190476 -0.0000000 0.3024911), wk = 0.0024272 k( 191) = ( 0.1309524 -0.0000000 0.3024911), wk = 0.0024272 k( 192) = ( 0.1428571 -0.0000000 0.3024911), wk = 0.0024272 k( 193) = ( 0.1547619 -0.0000000 0.3024911), wk = 0.0024272 k( 194) = ( 0.1666667 -0.0000000 0.3024911), wk = 0.0024272 k( 195) = ( 0.1785714 -0.0000000 0.3024911), wk = 0.0024272 k( 196) = ( 0.1904762 -0.0000000 0.3024911), wk = 0.0024272 k( 197) = ( 0.2023810 -0.0000000 0.3024911), wk = 0.0024272 k( 198) = ( 0.2142857 -0.0000000 0.3024911), wk = 0.0024272 k( 199) = ( 0.2261905 -0.0000000 0.3024911), wk = 0.0024272 k( 200) = ( 0.2380952 -0.0000000 0.3024911), wk = 0.0024272 k( 201) = ( 0.2500000 -0.0000000 0.3024911), wk = 0.0024272 k( 202) = ( 0.2619048 -0.0000000 0.3024911), wk = 0.0024272 k( 203) = ( 0.2738095 -0.0000000 0.3024911), wk = 0.0024272 k( 204) = ( 0.2857143 -0.0000000 0.3024911), wk = 0.0024272 k( 205) = ( 0.2976190 -0.0000000 0.3024911), wk = 0.0024272 k( 206) = ( 0.3095238 -0.0000000 0.3024911), wk = 0.0024272 k( 207) = ( 0.3214286 -0.0000000 0.3024911), wk = 0.0024272 k( 208) = ( 0.3333333 -0.0000000 0.3024911), wk = 0.0024272 k( 209) = ( 0.3452381 -0.0000000 0.3024911), wk = 0.0024272 k( 210) = ( 0.3571429 -0.0000000 0.3024911), wk = 0.0024272 k( 211) = ( 0.3690476 -0.0000000 0.3024911), wk = 0.0024272 k( 212) = ( 0.3809524 -0.0000000 0.3024911), wk = 0.0024272 k( 213) = ( 0.3928571 -0.0000000 0.3024911), wk = 0.0024272 k( 214) = ( 0.4047619 -0.0000000 0.3024911), wk = 0.0024272 k( 215) = ( 0.4166667 -0.0000000 0.3024911), wk = 0.0024272 k( 216) = ( 0.4285714 -0.0000000 0.3024911), wk = 0.0024272 k( 217) = ( 0.4404762 -0.0000000 0.3024911), wk = 0.0024272 k( 218) = ( 0.4523810 -0.0000000 0.3024911), wk = 0.0024272 k( 219) = ( 0.4642857 -0.0000000 0.3024911), wk = 0.0024272 k( 220) = ( 0.4761905 -0.0000000 0.3024911), wk = 0.0024272 k( 221) = ( 0.4880952 -0.0000000 0.3024911), wk = 0.0024272 k( 222) = ( 0.5000000 -0.0000000 0.3024911), wk = 0.0024272 k( 223) = ( 0.5000000 -0.0000000 0.3024911), wk = 0.0024272 k( 224) = ( 0.5000000 0.0116758 0.3024911), wk = 0.0024272 k( 225) = ( 0.5000000 0.0233516 0.3024911), wk = 0.0024272 k( 226) = ( 0.5000000 0.0350275 0.3024911), wk = 0.0024272 k( 227) = ( 0.5000000 0.0467033 0.3024911), wk = 0.0024272 k( 228) = ( 0.5000000 0.0583791 0.3024911), wk = 0.0024272 k( 229) = ( 0.5000000 0.0700549 0.3024911), wk = 0.0024272 k( 230) = ( 0.5000000 0.0817308 0.3024911), wk = 0.0024272 k( 231) = ( 0.5000000 0.0934066 0.3024911), wk = 0.0024272 k( 232) = ( 0.5000000 0.1050824 0.3024911), wk = 0.0024272 k( 233) = ( 0.5000000 0.1167582 0.3024911), wk = 0.0024272 k( 234) = ( 0.5000000 0.1284341 0.3024911), wk = 0.0024272 k( 235) = ( 0.5000000 0.1401099 0.3024911), wk = 0.0024272 k( 236) = ( 0.5000000 0.1517857 0.3024911), wk = 0.0024272 k( 237) = ( 0.5000000 0.1634615 0.3024911), wk = 0.0024272 k( 238) = ( 0.5000000 0.1751374 0.3024911), wk = 0.0024272 k( 239) = ( 0.5000000 0.1868132 0.3024911), wk = 0.0024272 k( 240) = ( 0.5000000 0.1984890 0.3024911), wk = 0.0024272 k( 241) = ( 0.5000000 0.2101648 0.3024911), wk = 0.0024272 k( 242) = ( 0.5000000 0.2218407 0.3024911), wk = 0.0024272 k( 243) = ( 0.5000000 0.2335165 0.3024911), wk = 0.0024272 k( 244) = ( 0.5000000 0.2451923 0.3024911), wk = 0.0024272 k( 245) = ( 0.5000000 0.2568681 0.3024911), wk = 0.0024272 k( 246) = ( 0.5000000 0.2685440 0.3024911), wk = 0.0024272 k( 247) = ( 0.5000000 0.2802198 0.3024911), wk = 0.0024272 k( 248) = ( 0.5000000 0.2918956 0.3024911), wk = 0.0024272 k( 249) = ( 0.5000000 0.3035714 0.3024911), wk = 0.0024272 k( 250) = ( 0.5000000 0.3152473 0.3024911), wk = 0.0024272 k( 251) = ( 0.5000000 0.3269231 0.3024911), wk = 0.0024272 k( 252) = ( 0.5000000 0.3385989 0.3024911), wk = 0.0024272 k( 253) = ( 0.5000000 0.3502747 0.3024911), wk = 0.0024272 k( 254) = ( 0.5000000 0.3619505 0.3024911), wk = 0.0024272 k( 255) = ( 0.5000000 0.3736264 0.3024911), wk = 0.0024272 k( 256) = ( 0.5000000 0.3736264 0.3024911), wk = 0.0024272 k( 257) = ( 0.4880952 0.3736264 0.3024911), wk = 0.0024272 k( 258) = ( 0.4761905 0.3736264 0.3024911), wk = 0.0024272 k( 259) = ( 0.4642857 0.3736264 0.3024911), wk = 0.0024272 k( 260) = ( 0.4523810 0.3736264 0.3024911), wk = 0.0024272 k( 261) = ( 0.4404762 0.3736264 0.3024911), wk = 0.0024272 k( 262) = ( 0.4285714 0.3736264 0.3024911), wk = 0.0024272 k( 263) = ( 0.4166667 0.3736264 0.3024911), wk = 0.0024272 k( 264) = ( 0.4047619 0.3736264 0.3024911), wk = 0.0024272 k( 265) = ( 0.3928571 0.3736264 0.3024911), wk = 0.0024272 k( 266) = ( 0.3809524 0.3736264 0.3024911), wk = 0.0024272 k( 267) = ( 0.3690476 0.3736264 0.3024911), wk = 0.0024272 k( 268) = ( 0.3571429 0.3736264 0.3024911), wk = 0.0024272 k( 269) = ( 0.3452381 0.3736264 0.3024911), wk = 0.0024272 k( 270) = ( 0.3333333 0.3736264 0.3024911), wk = 0.0024272 k( 271) = ( 0.3214286 0.3736264 0.3024911), wk = 0.0024272 k( 272) = ( 0.3095238 0.3736264 0.3024911), wk = 0.0024272 k( 273) = ( 0.2976190 0.3736264 0.3024911), wk = 0.0024272 k( 274) = ( 0.2857143 0.3736264 0.3024911), wk = 0.0024272 k( 275) = ( 0.2738095 0.3736264 0.3024911), wk = 0.0024272 k( 276) = ( 0.2619048 0.3736264 0.3024911), wk = 0.0024272 k( 277) = ( 0.2500000 0.3736264 0.3024911), wk = 0.0024272 k( 278) = ( 0.2380952 0.3736264 0.3024911), wk = 0.0024272 k( 279) = ( 0.2261905 0.3736264 0.3024911), wk = 0.0024272 k( 280) = ( 0.2142857 0.3736264 0.3024911), wk = 0.0024272 k( 281) = ( 0.2023810 0.3736264 0.3024911), wk = 0.0024272 k( 282) = ( 0.1904762 0.3736264 0.3024911), wk = 0.0024272 k( 283) = ( 0.1785714 0.3736264 0.3024911), wk = 0.0024272 k( 284) = ( 0.1666667 0.3736264 0.3024911), wk = 0.0024272 k( 285) = ( 0.1547619 0.3736264 0.3024911), wk = 0.0024272 k( 286) = ( 0.1428571 0.3736264 0.3024911), wk = 0.0024272 k( 287) = ( 0.1309524 0.3736264 0.3024911), wk = 0.0024272 k( 288) = ( 0.1190476 0.3736264 0.3024911), wk = 0.0024272 k( 289) = ( 0.1071429 0.3736264 0.3024911), wk = 0.0024272 k( 290) = ( 0.0952381 0.3736264 0.3024911), wk = 0.0024272 k( 291) = ( 0.0833333 0.3736264 0.3024911), wk = 0.0024272 k( 292) = ( 0.0714286 0.3736264 0.3024911), wk = 0.0024272 k( 293) = ( 0.0595238 0.3736264 0.3024911), wk = 0.0024272 k( 294) = ( 0.0476191 0.3736264 0.3024911), wk = 0.0024272 k( 295) = ( 0.0357143 0.3736264 0.3024911), wk = 0.0024272 k( 296) = ( 0.0238095 0.3736264 0.3024911), wk = 0.0024272 k( 297) = ( 0.0119048 0.3736264 0.3024911), wk = 0.0024272 k( 298) = ( 0.0000000 0.3736264 0.3024911), wk = 0.0024272 k( 299) = ( 0.0000000 0.3736264 0.3024911), wk = 0.0024272 k( 300) = ( 0.0000000 0.3619505 0.3024911), wk = 0.0024272 k( 301) = ( 0.0000000 0.3502747 0.3024911), wk = 0.0024272 k( 302) = ( 0.0000000 0.3385989 0.3024911), wk = 0.0024272 k( 303) = ( 0.0000000 0.3269231 0.3024911), wk = 0.0024272 k( 304) = ( 0.0000000 0.3152473 0.3024911), wk = 0.0024272 k( 305) = ( 0.0000000 0.3035714 0.3024911), wk = 0.0024272 k( 306) = ( 0.0000000 0.2918956 0.3024911), wk = 0.0024272 k( 307) = ( 0.0000000 0.2802198 0.3024911), wk = 0.0024272 k( 308) = ( 0.0000000 0.2685440 0.3024911), wk = 0.0024272 k( 309) = ( 0.0000000 0.2568681 0.3024911), wk = 0.0024272 k( 310) = ( 0.0000000 0.2451923 0.3024911), wk = 0.0024272 k( 311) = ( 0.0000000 0.2335165 0.3024911), wk = 0.0024272 k( 312) = ( 0.0000000 0.2218407 0.3024911), wk = 0.0024272 k( 313) = ( 0.0000000 0.2101648 0.3024911), wk = 0.0024272 k( 314) = ( 0.0000000 0.1984890 0.3024911), wk = 0.0024272 k( 315) = ( 0.0000000 0.1868132 0.3024911), wk = 0.0024272 k( 316) = ( 0.0000000 0.1751374 0.3024911), wk = 0.0024272 k( 317) = ( 0.0000000 0.1634615 0.3024911), wk = 0.0024272 k( 318) = ( 0.0000000 0.1517857 0.3024911), wk = 0.0024272 k( 319) = ( 0.0000000 0.1401099 0.3024911), wk = 0.0024272 k( 320) = ( 0.0000000 0.1284341 0.3024911), wk = 0.0024272 k( 321) = ( 0.0000000 0.1167582 0.3024911), wk = 0.0024272 k( 322) = ( 0.0000000 0.1050824 0.3024911), wk = 0.0024272 k( 323) = ( 0.0000000 0.0934066 0.3024911), wk = 0.0024272 k( 324) = ( 0.0000000 0.0817308 0.3024911), wk = 0.0024272 k( 325) = ( 0.0000000 0.0700549 0.3024911), wk = 0.0024272 k( 326) = ( 0.0000000 0.0583791 0.3024911), wk = 0.0024272 k( 327) = ( 0.0000000 0.0467033 0.3024911), wk = 0.0024272 k( 328) = ( 0.0000000 0.0350275 0.3024911), wk = 0.0024272 k( 329) = ( 0.0000000 0.0233516 0.3024911), wk = 0.0024272 k( 330) = ( 0.0000000 0.0116758 0.3024911), wk = 0.0024272 k( 331) = ( 0.0000000 0.0000000 0.3024911), wk = 0.0024272 k( 332) = ( 0.0000000 0.3736264 -0.0000000), wk = 0.0024272 k( 333) = ( 0.0000000 0.3736264 0.0116343), wk = 0.0024272 k( 334) = ( 0.0000000 0.3736264 0.0232685), wk = 0.0024272 k( 335) = ( 0.0000000 0.3736264 0.0349028), wk = 0.0024272 k( 336) = ( 0.0000000 0.3736264 0.0465371), wk = 0.0024272 k( 337) = ( 0.0000000 0.3736264 0.0581714), wk = 0.0024272 k( 338) = ( 0.0000000 0.3736264 0.0698056), wk = 0.0024272 k( 339) = ( 0.0000000 0.3736264 0.0814399), wk = 0.0024272 k( 340) = ( 0.0000000 0.3736264 0.0930742), wk = 0.0024272 k( 341) = ( 0.0000000 0.3736264 0.1047085), wk = 0.0024272 k( 342) = ( 0.0000000 0.3736264 0.1163427), wk = 0.0024272 k( 343) = ( 0.0000000 0.3736264 0.1279770), wk = 0.0024272 k( 344) = ( 0.0000000 0.3736264 0.1396113), wk = 0.0024272 k( 345) = ( 0.0000000 0.3736264 0.1512456), wk = 0.0024272 k( 346) = ( 0.0000000 0.3736264 0.1628798), wk = 0.0024272 k( 347) = ( 0.0000000 0.3736264 0.1745141), wk = 0.0024272 k( 348) = ( 0.0000000 0.3736264 0.1861484), wk = 0.0024272 k( 349) = ( 0.0000000 0.3736264 0.1977826), wk = 0.0024272 k( 350) = ( 0.0000000 0.3736264 0.2094169), wk = 0.0024272 k( 351) = ( 0.0000000 0.3736264 0.2210512), wk = 0.0024272 k( 352) = ( 0.0000000 0.3736264 0.2326855), wk = 0.0024272 k( 353) = ( 0.0000000 0.3736264 0.2443197), wk = 0.0024272 k( 354) = ( 0.0000000 0.3736264 0.2559540), wk = 0.0024272 k( 355) = ( 0.0000000 0.3736264 0.2675883), wk = 0.0024272 k( 356) = ( 0.0000000 0.3736264 0.2792226), wk = 0.0024272 k( 357) = ( 0.0000000 0.3736264 0.2908568), wk = 0.0024272 k( 358) = ( 0.0000000 0.3736264 0.3024911), wk = 0.0024272 k( 359) = ( 0.5000000 -0.0000000 0.3024911), wk = 0.0024272 k( 360) = ( 0.5000000 -0.0000000 0.2908568), wk = 0.0024272 k( 361) = ( 0.5000000 -0.0000000 0.2792226), wk = 0.0024272 k( 362) = ( 0.5000000 -0.0000000 0.2675883), wk = 0.0024272 k( 363) = ( 0.5000000 -0.0000000 0.2559540), wk = 0.0024272 k( 364) = ( 0.5000000 -0.0000000 0.2443197), wk = 0.0024272 k( 365) = ( 0.5000000 -0.0000000 0.2326855), wk = 0.0024272 k( 366) = ( 0.5000000 -0.0000000 0.2210512), wk = 0.0024272 k( 367) = ( 0.5000000 -0.0000000 0.2094169), wk = 0.0024272 k( 368) = ( 0.5000000 -0.0000000 0.1977826), wk = 0.0024272 k( 369) = ( 0.5000000 -0.0000000 0.1861484), wk = 0.0024272 k( 370) = ( 0.5000000 -0.0000000 0.1745141), wk = 0.0024272 k( 371) = ( 0.5000000 -0.0000000 0.1628798), wk = 0.0024272 k( 372) = ( 0.5000000 -0.0000000 0.1512456), wk = 0.0024272 k( 373) = ( 0.5000000 -0.0000000 0.1396113), wk = 0.0024272 k( 374) = ( 0.5000000 -0.0000000 0.1279770), wk = 0.0024272 k( 375) = ( 0.5000000 -0.0000000 0.1163427), wk = 0.0024272 k( 376) = ( 0.5000000 -0.0000000 0.1047085), wk = 0.0024272 k( 377) = ( 0.5000000 -0.0000000 0.0930742), wk = 0.0024272 k( 378) = ( 0.5000000 -0.0000000 0.0814399), wk = 0.0024272 k( 379) = ( 0.5000000 -0.0000000 0.0698056), wk = 0.0024272 k( 380) = ( 0.5000000 -0.0000000 0.0581714), wk = 0.0024272 k( 381) = ( 0.5000000 -0.0000000 0.0465371), wk = 0.0024272 k( 382) = ( 0.5000000 -0.0000000 0.0349028), wk = 0.0024272 k( 383) = ( 0.5000000 -0.0000000 0.0232685), wk = 0.0024272 k( 384) = ( 0.5000000 -0.0000000 0.0116343), wk = 0.0024272 k( 385) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024272 k( 386) = ( 0.5000000 0.3736264 -0.0000000), wk = 0.0024272 k( 387) = ( 0.5000000 0.3736264 0.0116343), wk = 0.0024272 k( 388) = ( 0.5000000 0.3736264 0.0232685), wk = 0.0024272 k( 389) = ( 0.5000000 0.3736264 0.0349028), wk = 0.0024272 k( 390) = ( 0.5000000 0.3736264 0.0465371), wk = 0.0024272 k( 391) = ( 0.5000000 0.3736264 0.0581714), wk = 0.0024272 k( 392) = ( 0.5000000 0.3736264 0.0698056), wk = 0.0024272 k( 393) = ( 0.5000000 0.3736264 0.0814399), wk = 0.0024272 k( 394) = ( 0.5000000 0.3736264 0.0930742), wk = 0.0024272 k( 395) = ( 0.5000000 0.3736264 0.1047085), wk = 0.0024272 k( 396) = ( 0.5000000 0.3736264 0.1163427), wk = 0.0024272 k( 397) = ( 0.5000000 0.3736264 0.1279770), wk = 0.0024272 k( 398) = ( 0.5000000 0.3736264 0.1396113), wk = 0.0024272 k( 399) = ( 0.5000000 0.3736264 0.1512456), wk = 0.0024272 k( 400) = ( 0.5000000 0.3736264 0.1628798), wk = 0.0024272 k( 401) = ( 0.5000000 0.3736264 0.1745141), wk = 0.0024272 k( 402) = ( 0.5000000 0.3736264 0.1861484), wk = 0.0024272 k( 403) = ( 0.5000000 0.3736264 0.1977826), wk = 0.0024272 k( 404) = ( 0.5000000 0.3736264 0.2094169), wk = 0.0024272 k( 405) = ( 0.5000000 0.3736264 0.2210512), wk = 0.0024272 k( 406) = ( 0.5000000 0.3736264 0.2326855), wk = 0.0024272 k( 407) = ( 0.5000000 0.3736264 0.2443197), wk = 0.0024272 k( 408) = ( 0.5000000 0.3736264 0.2559540), wk = 0.0024272 k( 409) = ( 0.5000000 0.3736264 0.2675883), wk = 0.0024272 k( 410) = ( 0.5000000 0.3736264 0.2792226), wk = 0.0024272 k( 411) = ( 0.5000000 0.3736264 0.2908568), wk = 0.0024272 k( 412) = ( 0.5000000 0.3736264 0.3024911), 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 0.4038462), 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 0.4038462), 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 0.0961539), 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 0.3461539), 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 0.4038462), 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: 48125 G-vectors FFT dimensions: ( 36, 48, 60) Smooth grid: 32917 G-vectors FFT dimensions: ( 32, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 282, 56) NL pseudopotentials 0.27 Mb ( 141, 124) Each V/rho on FFT grid 0.05 Mb ( 3456) Each G-vector array 0.01 Mb ( 1503) G-vector shells 0.01 Mb ( 771) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 282, 224) Each subspace H/S matrix 0.77 Mb ( 224, 224) 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 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.6 secs Computing kpt #: 10 total cpu time spent up to now is 10.4 secs Computing kpt #: 11 total cpu time spent up to now is 11.3 secs Computing kpt #: 12 total cpu time spent up to now is 12.1 secs Computing kpt #: 13 total cpu time spent up to now is 12.9 secs Computing kpt #: 14 total cpu time spent up to now is 13.7 secs Computing kpt #: 15 total cpu time spent up to now is 14.6 secs Computing kpt #: 16 total cpu time spent up to now is 15.4 secs Computing kpt #: 17 total cpu time spent up to now is 16.3 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 18.1 secs Computing kpt #: 20 total cpu time spent up to now is 19.0 secs Computing kpt #: 21 total cpu time spent up to now is 19.9 secs Computing kpt #: 22 total cpu time spent up to now is 20.7 secs Computing kpt #: 23 total cpu time spent up to now is 21.5 secs Computing kpt #: 24 total cpu time spent up to now is 22.3 secs Computing kpt #: 25 total cpu time spent up to now is 23.0 secs Computing kpt #: 26 total cpu time spent up to now is 23.8 secs Computing kpt #: 27 total cpu time spent up to now is 24.5 secs Computing kpt #: 28 total cpu time spent up to now is 25.2 secs Computing kpt #: 29 total cpu time spent up to now is 25.8 secs Computing kpt #: 30 total cpu time spent up to now is 26.5 secs Computing kpt #: 31 total cpu time spent up to now is 27.2 secs Computing kpt #: 32 total cpu time spent up to now is 27.9 secs Computing kpt #: 33 total cpu time spent up to now is 28.5 secs Computing kpt #: 34 total cpu time spent up to now is 29.2 secs Computing kpt #: 35 total cpu time spent up to now is 29.9 secs Computing kpt #: 36 total cpu time spent up to now is 30.5 secs Computing kpt #: 37 total cpu time spent up to now is 31.2 secs Computing kpt #: 38 total cpu time spent up to now is 31.9 secs Computing kpt #: 39 total cpu time spent up to now is 32.5 secs Computing kpt #: 40 total cpu time spent up to now is 33.2 secs Computing kpt #: 41 total cpu time spent up to now is 33.8 secs Computing kpt #: 42 total cpu time spent up to now is 34.5 secs Computing kpt #: 43 total cpu time spent up to now is 35.1 secs Computing kpt #: 44 total cpu time spent up to now is 35.8 secs Computing kpt #: 45 total cpu time spent up to now is 36.5 secs Computing kpt #: 46 total cpu time spent up to now is 37.1 secs Computing kpt #: 47 total cpu time spent up to now is 37.8 secs Computing kpt #: 48 total cpu time spent up to now is 38.4 secs Computing kpt #: 49 total cpu time spent up to now is 39.1 secs Computing kpt #: 50 total cpu time spent up to now is 39.8 secs Computing kpt #: 51 total cpu time spent up to now is 40.4 secs Computing kpt #: 52 total cpu time spent up to now is 41.1 secs Computing kpt #: 53 total cpu time spent up to now is 41.8 secs Computing kpt #: 54 total cpu time spent up to now is 42.4 secs Computing kpt #: 55 total cpu time spent up to now is 43.1 secs Computing kpt #: 56 total cpu time spent up to now is 43.8 secs Computing kpt #: 57 total cpu time spent up to now is 44.5 secs Computing kpt #: 58 total cpu time spent up to now is 45.2 secs Computing kpt #: 59 total cpu time spent up to now is 45.9 secs Computing kpt #: 60 total cpu time spent up to now is 46.6 secs Computing kpt #: 61 total cpu time spent up to now is 47.3 secs Computing kpt #: 62 total cpu time spent up to now is 48.1 secs Computing kpt #: 63 total cpu time spent up to now is 48.9 secs Computing kpt #: 64 total cpu time spent up to now is 49.6 secs Computing kpt #: 65 total cpu time spent up to now is 50.4 secs Computing kpt #: 66 total cpu time spent up to now is 51.2 secs Computing kpt #: 67 total cpu time spent up to now is 52.1 secs Computing kpt #: 68 total cpu time spent up to now is 52.9 secs Computing kpt #: 69 total cpu time spent up to now is 53.7 secs Computing kpt #: 70 total cpu time spent up to now is 54.5 secs Computing kpt #: 71 total cpu time spent up to now is 55.3 secs Computing kpt #: 72 total cpu time spent up to now is 56.2 secs Computing kpt #: 73 total cpu time spent up to now is 57.1 secs Computing kpt #: 74 total cpu time spent up to now is 57.9 secs Computing kpt #: 75 total cpu time spent up to now is 58.7 secs Computing kpt #: 76 total cpu time spent up to now is 59.5 secs Computing kpt #: 77 total cpu time spent up to now is 60.3 secs Computing kpt #: 78 total cpu time spent up to now is 61.0 secs Computing kpt #: 79 total cpu time spent up to now is 61.8 secs Computing kpt #: 80 total cpu time spent up to now is 62.7 secs Computing kpt #: 81 total cpu time spent up to now is 63.5 secs Computing kpt #: 82 total cpu time spent up to now is 64.3 secs Computing kpt #: 83 total cpu time spent up to now is 65.1 secs Computing kpt #: 84 total cpu time spent up to now is 65.9 secs Computing kpt #: 85 total cpu time spent up to now is 66.8 secs Computing kpt #: 86 total cpu time spent up to now is 67.6 secs Computing kpt #: 87 total cpu time spent up to now is 68.4 secs Computing kpt #: 88 total cpu time spent up to now is 69.3 secs Computing kpt #: 89 total cpu time spent up to now is 70.1 secs Computing kpt #: 90 total cpu time spent up to now is 70.9 secs Computing kpt #: 91 total cpu time spent up to now is 71.7 secs Computing kpt #: 92 total cpu time spent up to now is 72.6 secs Computing kpt #: 93 total cpu time spent up to now is 73.4 secs Computing kpt #: 94 total cpu time spent up to now is 74.2 secs Computing kpt #: 95 total cpu time spent up to now is 75.0 secs Computing kpt #: 96 total cpu time spent up to now is 75.9 secs Computing kpt #: 97 total cpu time spent up to now is 76.7 secs Computing kpt #: 98 total cpu time spent up to now is 77.5 secs Computing kpt #: 99 total cpu time spent up to now is 78.4 secs Computing kpt #: 100 total cpu time spent up to now is 79.2 secs Computing kpt #: 101 total cpu time spent up to now is 80.1 secs Computing kpt #: 102 total cpu time spent up to now is 80.9 secs Computing kpt #: 103 total cpu time spent up to now is 81.8 secs Computing kpt #: 104 total cpu time spent up to now is 82.6 secs Computing kpt #: 105 total cpu time spent up to now is 83.4 secs Computing kpt #: 106 total cpu time spent up to now is 84.2 secs Computing kpt #: 107 total cpu time spent up to now is 85.0 secs Computing kpt #: 108 total cpu time spent up to now is 85.9 secs Computing kpt #: 109 total cpu time spent up to now is 86.7 secs Computing kpt #: 110 total cpu time spent up to now is 87.5 secs Computing kpt #: 111 total cpu time spent up to now is 88.3 secs Computing kpt #: 112 total cpu time spent up to now is 89.1 secs Computing kpt #: 113 total cpu time spent up to now is 90.0 secs Computing kpt #: 114 total cpu time spent up to now is 90.8 secs Computing kpt #: 115 total cpu time spent up to now is 91.6 secs Computing kpt #: 116 total cpu time spent up to now is 92.5 secs Computing kpt #: 117 total cpu time spent up to now is 93.3 secs Computing kpt #: 118 total cpu time spent up to now is 94.1 secs Computing kpt #: 119 total cpu time spent up to now is 94.9 secs Computing kpt #: 120 total cpu time spent up to now is 95.7 secs Computing kpt #: 121 total cpu time spent up to now is 96.5 secs Computing kpt #: 122 total cpu time spent up to now is 97.4 secs Computing kpt #: 123 total cpu time spent up to now is 98.2 secs Computing kpt #: 124 total cpu time spent up to now is 99.0 secs Computing kpt #: 125 total cpu time spent up to now is 99.8 secs Computing kpt #: 126 total cpu time spent up to now is 100.6 secs Computing kpt #: 127 total cpu time spent up to now is 101.5 secs Computing kpt #: 128 total cpu time spent up to now is 102.3 secs Computing kpt #: 129 total cpu time spent up to now is 103.1 secs Computing kpt #: 130 total cpu time spent up to now is 104.0 secs Computing kpt #: 131 total cpu time spent up to now is 104.8 secs Computing kpt #: 132 total cpu time spent up to now is 105.7 secs Computing kpt #: 133 total cpu time spent up to now is 106.5 secs Computing kpt #: 134 total cpu time spent up to now is 107.3 secs Computing kpt #: 135 total cpu time spent up to now is 108.2 secs Computing kpt #: 136 total cpu time spent up to now is 109.0 secs Computing kpt #: 137 total cpu time spent up to now is 109.8 secs Computing kpt #: 138 total cpu time spent up to now is 110.6 secs Computing kpt #: 139 total cpu time spent up to now is 111.4 secs Computing kpt #: 140 total cpu time spent up to now is 112.2 secs Computing kpt #: 141 total cpu time spent up to now is 113.0 secs Computing kpt #: 142 total cpu time spent up to now is 113.9 secs Computing kpt #: 143 total cpu time spent up to now is 114.7 secs Computing kpt #: 144 total cpu time spent up to now is 115.5 secs Computing kpt #: 145 total cpu time spent up to now is 116.3 secs Computing kpt #: 146 total cpu time spent up to now is 117.1 secs Computing kpt #: 147 total cpu time spent up to now is 118.0 secs Computing kpt #: 148 total cpu time spent up to now is 118.8 secs Computing kpt #: 149 total cpu time spent up to now is 119.6 secs Computing kpt #: 150 total cpu time spent up to now is 120.4 secs Computing kpt #: 151 total cpu time spent up to now is 121.3 secs Computing kpt #: 152 total cpu time spent up to now is 122.1 secs Computing kpt #: 153 total cpu time spent up to now is 122.9 secs Computing kpt #: 154 total cpu time spent up to now is 123.8 secs Computing kpt #: 155 total cpu time spent up to now is 124.6 secs Computing kpt #: 156 total cpu time spent up to now is 125.4 secs Computing kpt #: 157 total cpu time spent up to now is 126.2 secs Computing kpt #: 158 total cpu time spent up to now is 127.0 secs Computing kpt #: 159 total cpu time spent up to now is 127.8 secs Computing kpt #: 160 total cpu time spent up to now is 128.6 secs Computing kpt #: 161 total cpu time spent up to now is 129.4 secs Computing kpt #: 162 total cpu time spent up to now is 130.1 secs Computing kpt #: 163 total cpu time spent up to now is 130.9 secs Computing kpt #: 164 total cpu time spent up to now is 131.7 secs Computing kpt #: 165 total cpu time spent up to now is 132.5 secs Computing kpt #: 166 total cpu time spent up to now is 133.3 secs Computing kpt #: 167 total cpu time spent up to now is 134.0 secs Computing kpt #: 168 total cpu time spent up to now is 134.8 secs Computing kpt #: 169 total cpu time spent up to now is 135.6 secs Computing kpt #: 170 total cpu time spent up to now is 136.4 secs Computing kpt #: 171 total cpu time spent up to now is 137.2 secs Computing kpt #: 172 total cpu time spent up to now is 138.0 secs Computing kpt #: 173 total cpu time spent up to now is 138.8 secs Computing kpt #: 174 total cpu time spent up to now is 139.6 secs Computing kpt #: 175 total cpu time spent up to now is 140.4 secs Computing kpt #: 176 total cpu time spent up to now is 141.2 secs Computing kpt #: 177 total cpu time spent up to now is 142.0 secs Computing kpt #: 178 total cpu time spent up to now is 142.8 secs Computing kpt #: 179 total cpu time spent up to now is 143.6 secs Computing kpt #: 180 total cpu time spent up to now is 144.4 secs Computing kpt #: 181 total cpu time spent up to now is 145.2 secs Computing kpt #: 182 total cpu time spent up to now is 146.0 secs Computing kpt #: 183 total cpu time spent up to now is 146.8 secs Computing kpt #: 184 total cpu time spent up to now is 147.6 secs Computing kpt #: 185 total cpu time spent up to now is 148.4 secs Computing kpt #: 186 total cpu time spent up to now is 149.3 secs Computing kpt #: 187 total cpu time spent up to now is 150.1 secs Computing kpt #: 188 total cpu time spent up to now is 150.9 secs Computing kpt #: 189 total cpu time spent up to now is 151.7 secs Computing kpt #: 190 total cpu time spent up to now is 152.5 secs Computing kpt #: 191 total cpu time spent up to now is 153.3 secs Computing kpt #: 192 total cpu time spent up to now is 154.1 secs Computing kpt #: 193 total cpu time spent up to now is 154.9 secs Computing kpt #: 194 total cpu time spent up to now is 155.6 secs Computing kpt #: 195 total cpu time spent up to now is 156.4 secs Computing kpt #: 196 total cpu time spent up to now is 157.1 secs Computing kpt #: 197 total cpu time spent up to now is 157.8 secs Computing kpt #: 198 total cpu time spent up to now is 158.5 secs Computing kpt #: 199 total cpu time spent up to now is 159.2 secs Computing kpt #: 200 total cpu time spent up to now is 159.9 secs Computing kpt #: 201 total cpu time spent up to now is 160.6 secs Computing kpt #: 202 total cpu time spent up to now is 161.2 secs Computing kpt #: 203 total cpu time spent up to now is 161.9 secs Computing kpt #: 204 total cpu time spent up to now is 162.6 secs Computing kpt #: 205 total cpu time spent up to now is 163.3 secs Computing kpt #: 206 total cpu time spent up to now is 163.9 secs Computing kpt #: 207 total cpu time spent up to now is 164.6 secs Computing kpt #: 208 total cpu time spent up to now is 165.2 secs Computing kpt #: 209 total cpu time spent up to now is 165.9 secs Computing kpt #: 210 total cpu time spent up to now is 166.6 secs Computing kpt #: 211 total cpu time spent up to now is 167.2 secs Computing kpt #: 212 total cpu time spent up to now is 167.9 secs Computing kpt #: 213 total cpu time spent up to now is 168.6 secs Computing kpt #: 214 total cpu time spent up to now is 169.2 secs Computing kpt #: 215 total cpu time spent up to now is 169.9 secs Computing kpt #: 216 total cpu time spent up to now is 170.6 secs Computing kpt #: 217 total cpu time spent up to now is 171.2 secs Computing kpt #: 218 total cpu time spent up to now is 171.9 secs Computing kpt #: 219 total cpu time spent up to now is 172.5 secs Computing kpt #: 220 total cpu time spent up to now is 173.2 secs Computing kpt #: 221 total cpu time spent up to now is 173.8 secs Computing kpt #: 222 total cpu time spent up to now is 174.4 secs Computing kpt #: 223 total cpu time spent up to now is 175.1 secs Computing kpt #: 224 total cpu time spent up to now is 175.7 secs Computing kpt #: 225 total cpu time spent up to now is 176.4 secs Computing kpt #: 226 total cpu time spent up to now is 177.0 secs Computing kpt #: 227 total cpu time spent up to now is 177.7 secs Computing kpt #: 228 total cpu time spent up to now is 178.3 secs Computing kpt #: 229 total cpu time spent up to now is 179.0 secs Computing kpt #: 230 total cpu time spent up to now is 179.7 secs Computing kpt #: 231 total cpu time spent up to now is 180.3 secs Computing kpt #: 232 total cpu time spent up to now is 181.0 secs Computing kpt #: 233 total cpu time spent up to now is 181.7 secs Computing kpt #: 234 total cpu time spent up to now is 182.4 secs Computing kpt #: 235 total cpu time spent up to now is 183.0 secs Computing kpt #: 236 total cpu time spent up to now is 183.7 secs Computing kpt #: 237 total cpu time spent up to now is 184.4 secs Computing kpt #: 238 total cpu time spent up to now is 185.1 secs Computing kpt #: 239 total cpu time spent up to now is 185.8 secs Computing kpt #: 240 total cpu time spent up to now is 186.5 secs Computing kpt #: 241 total cpu time spent up to now is 187.2 secs Computing kpt #: 242 total cpu time spent up to now is 187.9 secs Computing kpt #: 243 total cpu time spent up to now is 188.5 secs Computing kpt #: 244 total cpu time spent up to now is 189.2 secs Computing kpt #: 245 total cpu time spent up to now is 189.9 secs Computing kpt #: 246 total cpu time spent up to now is 190.6 secs Computing kpt #: 247 total cpu time spent up to now is 191.3 secs Computing kpt #: 248 total cpu time spent up to now is 192.0 secs Computing kpt #: 249 total cpu time spent up to now is 192.8 secs Computing kpt #: 250 total cpu time spent up to now is 193.6 secs Computing kpt #: 251 total cpu time spent up to now is 194.4 secs Computing kpt #: 252 total cpu time spent up to now is 195.2 secs Computing kpt #: 253 total cpu time spent up to now is 196.0 secs Computing kpt #: 254 total cpu time spent up to now is 196.8 secs Computing kpt #: 255 total cpu time spent up to now is 197.6 secs Computing kpt #: 256 total cpu time spent up to now is 198.4 secs Computing kpt #: 257 total cpu time spent up to now is 199.2 secs Computing kpt #: 258 total cpu time spent up to now is 199.9 secs Computing kpt #: 259 total cpu time spent up to now is 200.7 secs Computing kpt #: 260 total cpu time spent up to now is 201.5 secs Computing kpt #: 261 total cpu time spent up to now is 202.3 secs Computing kpt #: 262 total cpu time spent up to now is 203.1 secs Computing kpt #: 263 total cpu time spent up to now is 203.8 secs Computing kpt #: 264 total cpu time spent up to now is 204.6 secs Computing kpt #: 265 total cpu time spent up to now is 205.4 secs Computing kpt #: 266 total cpu time spent up to now is 206.1 secs Computing kpt #: 267 total cpu time spent up to now is 206.9 secs Computing kpt #: 268 total cpu time spent up to now is 207.7 secs Computing kpt #: 269 total cpu time spent up to now is 208.3 secs Computing kpt #: 270 total cpu time spent up to now is 209.0 secs Computing kpt #: 271 total cpu time spent up to now is 209.7 secs Computing kpt #: 272 total cpu time spent up to now is 210.4 secs Computing kpt #: 273 total cpu time spent up to now is 211.1 secs Computing kpt #: 274 total cpu time spent up to now is 211.7 secs Computing kpt #: 275 total cpu time spent up to now is 212.4 secs Computing kpt #: 276 total cpu time spent up to now is 213.1 secs Computing kpt #: 277 total cpu time spent up to now is 213.8 secs Computing kpt #: 278 total cpu time spent up to now is 214.4 secs Computing kpt #: 279 total cpu time spent up to now is 215.1 secs Computing kpt #: 280 total cpu time spent up to now is 215.8 secs Computing kpt #: 281 total cpu time spent up to now is 216.5 secs Computing kpt #: 282 total cpu time spent up to now is 217.1 secs Computing kpt #: 283 total cpu time spent up to now is 217.8 secs Computing kpt #: 284 total cpu time spent up to now is 218.5 secs Computing kpt #: 285 total cpu time spent up to now is 219.2 secs Computing kpt #: 286 total cpu time spent up to now is 219.9 secs Computing kpt #: 287 total cpu time spent up to now is 220.6 secs Computing kpt #: 288 total cpu time spent up to now is 221.4 secs Computing kpt #: 289 total cpu time spent up to now is 222.2 secs Computing kpt #: 290 total cpu time spent up to now is 223.0 secs Computing kpt #: 291 total cpu time spent up to now is 223.8 secs Computing kpt #: 292 total cpu time spent up to now is 224.6 secs Computing kpt #: 293 total cpu time spent up to now is 225.4 secs Computing kpt #: 294 total cpu time spent up to now is 226.1 secs Computing kpt #: 295 total cpu time spent up to now is 226.9 secs Computing kpt #: 296 total cpu time spent up to now is 227.7 secs Computing kpt #: 297 total cpu time spent up to now is 228.5 secs Computing kpt #: 298 total cpu time spent up to now is 229.3 secs Computing kpt #: 299 total cpu time spent up to now is 230.1 secs Computing kpt #: 300 total cpu time spent up to now is 230.9 secs Computing kpt #: 301 total cpu time spent up to now is 231.7 secs Computing kpt #: 302 total cpu time spent up to now is 232.5 secs Computing kpt #: 303 total cpu time spent up to now is 233.3 secs Computing kpt #: 304 total cpu time spent up to now is 234.2 secs Computing kpt #: 305 total cpu time spent up to now is 235.0 secs Computing kpt #: 306 total cpu time spent up to now is 235.8 secs Computing kpt #: 307 total cpu time spent up to now is 236.6 secs Computing kpt #: 308 total cpu time spent up to now is 237.4 secs Computing kpt #: 309 total cpu time spent up to now is 238.3 secs Computing kpt #: 310 total cpu time spent up to now is 239.1 secs Computing kpt #: 311 total cpu time spent up to now is 239.9 secs Computing kpt #: 312 total cpu time spent up to now is 240.7 secs Computing kpt #: 313 total cpu time spent up to now is 241.5 secs Computing kpt #: 314 total cpu time spent up to now is 242.3 secs Computing kpt #: 315 total cpu time spent up to now is 243.1 secs Computing kpt #: 316 total cpu time spent up to now is 243.9 secs Computing kpt #: 317 total cpu time spent up to now is 244.7 secs Computing kpt #: 318 total cpu time spent up to now is 245.5 secs Computing kpt #: 319 total cpu time spent up to now is 246.3 secs Computing kpt #: 320 total cpu time spent up to now is 247.1 secs Computing kpt #: 321 total cpu time spent up to now is 247.9 secs Computing kpt #: 322 total cpu time spent up to now is 248.7 secs Computing kpt #: 323 total cpu time spent up to now is 249.5 secs Computing kpt #: 324 total cpu time spent up to now is 250.4 secs Computing kpt #: 325 total cpu time spent up to now is 251.2 secs Computing kpt #: 326 total cpu time spent up to now is 252.0 secs Computing kpt #: 327 total cpu time spent up to now is 252.8 secs Computing kpt #: 328 total cpu time spent up to now is 253.6 secs Computing kpt #: 329 total cpu time spent up to now is 254.4 secs Computing kpt #: 330 total cpu time spent up to now is 255.2 secs Computing kpt #: 331 total cpu time spent up to now is 256.0 secs Computing kpt #: 332 total cpu time spent up to now is 256.8 secs Computing kpt #: 333 total cpu time spent up to now is 257.6 secs Computing kpt #: 334 total cpu time spent up to now is 258.4 secs Computing kpt #: 335 total cpu time spent up to now is 259.2 secs Computing kpt #: 336 total cpu time spent up to now is 260.0 secs Computing kpt #: 337 total cpu time spent up to now is 260.8 secs Computing kpt #: 338 total cpu time spent up to now is 261.6 secs Computing kpt #: 339 total cpu time spent up to now is 262.4 secs Computing kpt #: 340 total cpu time spent up to now is 263.1 secs Computing kpt #: 341 total cpu time spent up to now is 263.9 secs Computing kpt #: 342 total cpu time spent up to now is 264.6 secs Computing kpt #: 343 total cpu time spent up to now is 265.3 secs Computing kpt #: 344 total cpu time spent up to now is 266.0 secs Computing kpt #: 345 total cpu time spent up to now is 266.7 secs Computing kpt #: 346 total cpu time spent up to now is 267.4 secs Computing kpt #: 347 total cpu time spent up to now is 268.2 secs Computing kpt #: 348 total cpu time spent up to now is 269.0 secs Computing kpt #: 349 total cpu time spent up to now is 269.8 secs Computing kpt #: 350 total cpu time spent up to now is 270.6 secs Computing kpt #: 351 total cpu time spent up to now is 271.4 secs Computing kpt #: 352 total cpu time spent up to now is 272.2 secs Computing kpt #: 353 total cpu time spent up to now is 273.0 secs Computing kpt #: 354 total cpu time spent up to now is 273.8 secs Computing kpt #: 355 total cpu time spent up to now is 274.6 secs Computing kpt #: 356 total cpu time spent up to now is 275.4 secs Computing kpt #: 357 total cpu time spent up to now is 276.2 secs Computing kpt #: 358 total cpu time spent up to now is 277.0 secs Computing kpt #: 359 total cpu time spent up to now is 277.7 secs Computing kpt #: 360 total cpu time spent up to now is 278.3 secs Computing kpt #: 361 total cpu time spent up to now is 279.0 secs Computing kpt #: 362 total cpu time spent up to now is 279.6 secs Computing kpt #: 363 total cpu time spent up to now is 280.4 secs Computing kpt #: 364 total cpu time spent up to now is 281.1 secs Computing kpt #: 365 total cpu time spent up to now is 281.8 secs Computing kpt #: 366 total cpu time spent up to now is 282.5 secs Computing kpt #: 367 total cpu time spent up to now is 283.2 secs Computing kpt #: 368 total cpu time spent up to now is 283.8 secs Computing kpt #: 369 total cpu time spent up to now is 284.5 secs Computing kpt #: 370 total cpu time spent up to now is 285.2 secs Computing kpt #: 371 total cpu time spent up to now is 285.9 secs Computing kpt #: 372 total cpu time spent up to now is 286.5 secs Computing kpt #: 373 total cpu time spent up to now is 287.2 secs Computing kpt #: 374 total cpu time spent up to now is 287.9 secs Computing kpt #: 375 total cpu time spent up to now is 288.6 secs Computing kpt #: 376 total cpu time spent up to now is 289.2 secs Computing kpt #: 377 total cpu time spent up to now is 289.9 secs Computing kpt #: 378 total cpu time spent up to now is 290.6 secs Computing kpt #: 379 total cpu time spent up to now is 291.3 secs Computing kpt #: 380 total cpu time spent up to now is 291.9 secs Computing kpt #: 381 total cpu time spent up to now is 292.6 secs Computing kpt #: 382 total cpu time spent up to now is 293.3 secs Computing kpt #: 383 total cpu time spent up to now is 293.9 secs Computing kpt #: 384 total cpu time spent up to now is 294.6 secs Computing kpt #: 385 total cpu time spent up to now is 295.2 secs Computing kpt #: 386 total cpu time spent up to now is 296.0 secs Computing kpt #: 387 total cpu time spent up to now is 296.8 secs Computing kpt #: 388 total cpu time spent up to now is 297.6 secs Computing kpt #: 389 total cpu time spent up to now is 298.4 secs Computing kpt #: 390 total cpu time spent up to now is 299.2 secs Computing kpt #: 391 total cpu time spent up to now is 300.0 secs Computing kpt #: 392 total cpu time spent up to now is 300.8 secs Computing kpt #: 393 total cpu time spent up to now is 301.6 secs Computing kpt #: 394 total cpu time spent up to now is 302.4 secs Computing kpt #: 395 total cpu time spent up to now is 303.2 secs Computing kpt #: 396 total cpu time spent up to now is 304.0 secs Computing kpt #: 397 total cpu time spent up to now is 304.8 secs Computing kpt #: 398 total cpu time spent up to now is 305.6 secs Computing kpt #: 399 total cpu time spent up to now is 306.4 secs Computing kpt #: 400 total cpu time spent up to now is 307.3 secs Computing kpt #: 401 total cpu time spent up to now is 308.1 secs Computing kpt #: 402 total cpu time spent up to now is 308.9 secs Computing kpt #: 403 total cpu time spent up to now is 309.7 secs Computing kpt #: 404 total cpu time spent up to now is 310.5 secs Computing kpt #: 405 total cpu time spent up to now is 311.3 secs Computing kpt #: 406 total cpu time spent up to now is 312.1 secs Computing kpt #: 407 total cpu time spent up to now is 312.9 secs Computing kpt #: 408 total cpu time spent up to now is 313.7 secs Computing kpt #: 409 total cpu time spent up to now is 314.5 secs Computing kpt #: 410 total cpu time spent up to now is 315.3 secs Computing kpt #: 411 total cpu time spent up to now is 316.1 secs Computing kpt #: 412 total cpu time spent up to now is 316.9 secs ethr = 2.17E-11, avg # of iterations = 22.1 total cpu time spent up to now is 316.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4111 PWs) bands (ev): -7.6147 -7.6147 -6.3628 -6.3628 -4.0493 -4.0493 -3.6607 -3.6607 1.7404 1.7404 2.7457 2.7457 3.0366 3.0366 3.5438 3.5438 4.2550 4.2550 4.6356 4.6356 4.6870 4.6870 4.6941 4.6941 4.9292 4.9292 5.3310 5.3310 5.4356 5.4356 5.4901 5.4901 5.5247 5.5247 5.6225 5.6225 5.7138 5.7138 6.5063 6.5063 6.5963 6.5963 8.9618 8.9618 9.1142 9.1142 9.3601 9.3601 10.0150 10.0150 11.0190 11.0190 11.8987 11.8987 12.0240 12.0240 k = 0.0119-0.0000-0.0000 ( 4117 PWs) bands (ev): -7.6139 -7.6139 -6.3627 -6.3627 -4.0488 -4.0488 -3.6604 -3.6604 1.7416 1.7416 2.7457 2.7457 3.0364 3.0364 3.5430 3.5430 4.2552 4.2552 4.6356 4.6356 4.6823 4.6823 4.6935 4.6935 4.9272 4.9272 5.3324 5.3324 5.4361 5.4361 5.4912 5.4912 5.5228 5.5228 5.6223 5.6223 5.7152 5.7152 6.5035 6.5035 6.5976 6.5976 8.9580 8.9580 9.1110 9.1110 9.3530 9.3530 10.0164 10.0164 11.0185 11.0185 11.9053 11.9053 12.0263 12.0263 k = 0.0238-0.0000-0.0000 ( 4119 PWs) bands (ev): -7.6116 -7.6116 -6.3624 -6.3624 -4.0473 -4.0473 -3.6596 -3.6596 1.7451 1.7451 2.7458 2.7458 3.0358 3.0358 3.5404 3.5404 4.2557 4.2557 4.6352 4.6352 4.6630 4.6630 4.6977 4.6977 4.9218 4.9218 5.3360 5.3360 5.4373 5.4373 5.4939 5.4939 5.5177 5.5177 5.6219 5.6219 5.7193 5.7193 6.4952 6.4952 6.6014 6.6014 8.9467 8.9467 9.1020 9.1020 9.3321 9.3321 10.0203 10.0203 11.0168 11.0168 11.9251 11.9251 12.0331 12.0331 k = 0.0357-0.0000-0.0000 ( 4119 PWs) bands (ev): -7.6078 -7.6078 -6.3619 -6.3619 -4.0448 -4.0448 -3.6583 -3.6583 1.7511 1.7511 2.7458 2.7458 3.0348 3.0348 3.5363 3.5363 4.2566 4.2566 4.6297 4.6297 4.6349 4.6349 4.7064 4.7064 4.9145 4.9145 5.3406 5.3406 5.4385 5.4385 5.4946 5.4946 5.5129 5.5129 5.6212 5.6212 5.7262 5.7262 6.4820 6.4820 6.6075 6.6075 8.9272 8.9272 9.0881 9.0881 9.2979 9.2979 10.0262 10.0262 11.0141 11.0141 11.9575 11.9575 12.0441 12.0441 k = 0.0476-0.0000-0.0000 ( 4127 PWs) bands (ev): -7.6024 -7.6024 -6.3611 -6.3611 -4.0414 -4.0414 -3.6565 -3.6565 1.7593 1.7593 2.7458 2.7458 3.0332 3.0332 3.5307 3.5307 4.2579 4.2579 4.5860 4.5860 4.6332 4.6332 4.7189 4.7189 4.9062 4.9062 5.3450 5.3450 5.4384 5.4384 5.4860 5.4860 5.5155 5.5155 5.6202 5.6202 5.7357 5.7357 6.4644 6.4644 6.6156 6.6156 8.8992 8.8992 9.0707 9.0707 9.2515 9.2515 10.0331 10.0331 11.0101 11.0101 12.0007 12.0007 12.0597 12.0597 k = 0.0595-0.0000-0.0000 ( 4123 PWs) bands (ev): -7.5954 -7.5954 -6.3602 -6.3602 -4.0370 -4.0370 -3.6541 -3.6541 1.7700 1.7700 2.7457 2.7457 3.0309 3.0309 3.5237 3.5237 4.2595 4.2595 4.5330 4.5330 4.6312 4.6312 4.7353 4.7353 4.8975 4.8975 5.3483 5.3483 5.4340 5.4340 5.4735 5.4735 5.5225 5.5225 5.6191 5.6191 5.7476 5.7476 6.4434 6.4434 6.6257 6.6257 8.8629 8.8629 9.0504 9.0504 9.1942 9.1942 10.0402 10.0402 11.0047 11.0047 12.0441 12.0441 12.0885 12.0885 k = 0.0714-0.0000-0.0000 ( 4119 PWs) bands (ev): -7.5870 -7.5870 -6.3591 -6.3591 -4.0317 -4.0317 -3.6512 -3.6512 1.7829 1.7829 2.7454 2.7454 3.0274 3.0274 3.5155 3.5155 4.2614 4.2614 4.4736 4.4736 4.6286 4.6286 4.7553 4.7553 4.8882 4.8882 5.3499 5.3499 5.4197 5.4197 5.4659 5.4659 5.5300 5.5300 5.6178 5.6178 5.7613 5.7613 6.4195 6.4195 6.6374 6.6374 8.8191 8.8191 9.0263 9.0263 9.1287 9.1287 10.0466 10.0466 10.9980 10.9980 12.0675 12.0675 12.1486 12.1486 k = 0.0833-0.0000-0.0000 ( 4115 PWs) bands (ev): -7.5771 -7.5771 -6.3579 -6.3579 -4.0254 -4.0254 -3.6479 -3.6479 1.7982 1.7982 2.7448 2.7448 3.0226 3.0226 3.5063 3.5063 4.2636 4.2636 4.4099 4.4099 4.6257 4.6257 4.7784 4.7784 4.8780 4.8780 5.3476 5.3476 5.3969 5.3969 5.4648 5.4648 5.5368 5.5368 5.6164 5.6164 5.7761 5.7761 6.3937 6.3937 6.6508 6.6508 8.7690 8.7690 8.9928 8.9928 9.0617 9.0617 10.0513 10.0513 10.9897 10.9897 12.0791 12.0791 12.2294 12.2294 k = 0.0952-0.0000-0.0000 ( 4115 PWs) bands (ev): -7.5657 -7.5657 -6.3566 -6.3566 -4.0182 -4.0182 -3.6441 -3.6441 1.8158 1.8158 2.7437 2.7437 3.0160 3.0160 3.4963 3.4963 4.2661 4.2661 4.3441 4.3441 4.6225 4.6225 4.8040 4.8040 4.8670 4.8670 5.3330 5.3330 5.3776 5.3776 5.4670 5.4670 5.5424 5.5424 5.6148 5.6148 5.7912 5.7912 6.3666 6.3666 6.6654 6.6654 8.7140 8.7140 8.9337 8.9337 9.0106 9.0106 10.0539 10.0539 10.9797 10.9797 12.0838 12.0838 12.3232 12.3232 k = 0.1071-0.0000-0.0000 ( 4121 PWs) bands (ev): -7.5528 -7.5528 -6.3553 -6.3553 -4.0101 -4.0101 -3.6399 -3.6399 1.8357 1.8357 2.7421 2.7421 3.0072 3.0072 3.4856 3.4856 4.2667 4.2667 4.2800 4.2800 4.6193 4.6193 4.8284 4.8284 4.8581 4.8581 5.2995 5.2995 5.3708 5.3708 5.4709 5.4709 5.5468 5.5468 5.6130 5.6130 5.8058 5.8058 6.3390 6.3390 6.6811 6.6811 8.6553 8.6553 8.8495 8.8495 8.9756 8.9756 10.0538 10.0538 10.9679 10.9679 12.0815 12.0815 12.4281 12.4281 k = 0.1190-0.0000-0.0000 ( 4117 PWs) bands (ev): -7.5385 -7.5385 -6.3539 -6.3539 -4.0012 -4.0012 -3.6353 -3.6353 1.8577 1.8577 2.7397 2.7397 2.9956 2.9956 3.4746 3.4746 4.2120 4.2120 4.2729 4.2729 4.6162 4.6162 4.8295 4.8295 4.8726 4.8726 5.2555 5.2555 5.3693 5.3693 5.4760 5.4760 5.5501 5.5501 5.6112 5.6112 5.8195 5.8195 6.3115 6.3115 6.6978 6.6978 8.5942 8.5942 8.7543 8.7543 8.9438 8.9438 10.0507 10.0507 10.9543 10.9543 12.0716 12.0716 12.5427 12.5427 k = 0.1310-0.0000-0.0000 ( 4109 PWs) bands (ev): -7.5229 -7.5229 -6.3526 -6.3526 -3.9914 -3.9914 -3.6304 -3.6304 1.8820 1.8820 2.7364 2.7364 2.9806 2.9806 3.4632 3.4632 4.1500 4.1500 4.2760 4.2760 4.6134 4.6134 4.8133 4.8133 4.9035 4.9035 5.2063 5.2063 5.3694 5.3694 5.4820 5.4820 5.5527 5.5527 5.6094 5.6094 5.8317 5.8317 6.2844 6.2844 6.7151 6.7151 8.5315 8.5315 8.6531 8.6531 8.9109 8.9109 10.0444 10.0444 10.9387 10.9387 12.0539 12.0539 12.6657 12.6657 k = 0.1429-0.0000-0.0000 ( 4105 PWs) bands (ev): -7.5058 -7.5058 -6.3514 -6.3514 -3.9809 -3.9809 -3.6251 -3.6251 1.9084 1.9084 2.7318 2.7318 2.9618 2.9618 3.4518 3.4518 4.0920 4.0920 4.2795 4.2795 4.6108 4.6108 4.7929 4.7929 4.9363 4.9363 5.1547 5.1547 5.3699 5.3699 5.4889 5.4889 5.5545 5.5545 5.6075 5.6075 5.8423 5.8423 6.2581 6.2581 6.7328 6.7328 8.4676 8.4676 8.5486 8.5486 8.8758 8.8758 10.0348 10.0348 10.9211 10.9211 12.0285 12.0285 12.7953 12.7953 k = 0.1548-0.0000-0.0000 ( 4113 PWs) bands (ev): -7.4874 -7.4874 -6.3503 -6.3503 -3.9696 -3.9696 -3.6195 -3.6195 1.9369 1.9369 2.7258 2.7258 2.9386 2.9386 3.4405 3.4405 4.0393 4.0393 4.2832 4.2832 4.6084 4.6084 4.7694 4.7694 4.9648 4.9648 5.1065 5.1065 5.3707 5.3707 5.4963 5.4963 5.5559 5.5559 5.6056 5.6056 5.8511 5.8511 6.2327 6.2327 6.7508 6.7508 8.4006 8.4006 8.4443 8.4443 8.8380 8.8380 10.0219 10.0219 10.9014 10.9014 11.9963 11.9963 12.9296 12.9296 k = 0.1667-0.0000-0.0000 ( 4117 PWs) bands (ev): -7.4678 -7.4678 -6.3494 -6.3494 -3.9575 -3.9575 -3.6137 -3.6137 1.9674 1.9674 2.7179 2.7179 2.9110 2.9110 3.4294 3.4294 3.9929 3.9929 4.2870 4.2870 4.6061 4.6061 4.7433 4.7433 4.9697 4.9697 5.0813 5.0813 5.3717 5.3717 5.5039 5.5039 5.5571 5.5571 5.6039 5.6039 5.8582 5.8582 6.2083 6.2083 6.7689 6.7689 8.3157 8.3157 8.3568 8.3568 8.7973 8.7973 10.0059 10.0059 10.8796 10.8796 11.9585 11.9585 13.0653 13.0653 k = 0.1786-0.0000-0.0000 ( 4115 PWs) bands (ev): -7.4469 -7.4469 -6.3487 -6.3487 -3.9448 -3.9448 -3.6077 -3.6077 1.9998 1.9998 2.7078 2.7078 2.8789 2.8789 3.4188 3.4188 3.9534 3.9534 4.2909 4.2909 4.6034 4.6034 4.7152 4.7152 4.9329 4.9329 5.0980 5.0980 5.3732 5.3732 5.5115 5.5115 5.5583 5.5583 5.6026 5.6026 5.8636 5.8636 6.1850 6.1850 6.7870 6.7870 8.2091 8.2091 8.2910 8.2910 8.7538 8.7538 9.9867 9.9867 10.8556 10.8556 11.9163 11.9163 13.1975 13.1975 k = 0.1905-0.0000-0.0000 ( 4119 PWs) bands (ev): -7.4248 -7.4248 -6.3484 -6.3484 -3.9315 -3.9315 -3.6015 -3.6015 2.0340 2.0340 2.6947 2.6947 2.8431 2.8431 3.4086 3.4086 3.9212 3.9212 4.2947 4.2947 4.5992 4.5992 4.6865 4.6865 4.8773 4.8773 5.1338 5.1338 5.3752 5.3752 5.5184 5.5184 5.5598 5.5598 5.6018 5.6018 5.8672 5.8672 6.1625 6.1625 6.8049 6.8049 8.0981 8.0981 8.2308 8.2308 8.7074 8.7074 9.9647 9.9647 10.8294 10.8294 11.8711 11.8711 13.3185 13.3185 k = 0.2024-0.0000-0.0000 ( 4111 PWs) bands (ev): -7.4015 -7.4015 -6.3485 -6.3485 -3.9176 -3.9176 -3.5953 -3.5953 2.0700 2.0700 2.6778 2.6778 2.8047 2.8047 3.3990 3.3990 3.8963 3.8963 4.2985 4.2985 4.5899 4.5899 4.6606 4.6606 4.8171 4.8171 5.1749 5.1749 5.3784 5.3784 5.5243 5.5243 5.5617 5.5617 5.6020 5.6020 5.8694 5.8694 6.1410 6.1410 6.8226 6.8226 7.9862 7.9862 8.1733 8.1733 8.6583 8.6583 9.9401 9.9401 10.8010 10.8010 11.8242 11.8242 13.4164 13.4164 k = 0.2143-0.0000-0.0000 ( 4107 PWs) bands (ev): -7.3771 -7.3771 -6.3491 -6.3491 -3.9032 -3.9032 -3.5889 -3.5889 2.1074 2.1074 2.6557 2.6557 2.7658 2.7658 3.3900 3.3900 3.8783 3.8783 4.3020 4.3020 4.5698 4.5698 4.6431 4.6431 4.7567 4.7567 5.2167 5.2167 5.3836 5.3836 5.5287 5.5287 5.5640 5.5640 5.6037 5.6037 5.8700 5.8700 6.1202 6.1202 6.8401 6.8401 7.8747 7.8747 8.1182 8.1182 8.6066 8.6066 9.9132 9.9132 10.7704 10.7704 11.7766 11.7766 13.4764 13.4764 k = 0.2262-0.0000-0.0000 ( 4103 PWs) bands (ev): -7.3517 -7.3517 -6.3502 -6.3502 -3.8883 -3.8883 -3.5826 -3.5826 2.1460 2.1460 2.6269 2.6269 2.7286 2.7286 3.3819 3.3819 3.8668 3.8668 4.3048 4.3048 4.5377 4.5377 4.6339 4.6339 4.6996 4.6996 5.2559 5.2559 5.3928 5.3928 5.5320 5.5320 5.5659 5.5659 5.6075 5.6075 5.8694 5.8694 6.1000 6.1000 6.8573 6.8573 7.7640 7.7640 8.0654 8.0654 8.5526 8.5526 9.8844 9.8844 10.7376 10.7376 11.7295 11.7295 13.4882 13.4882 k = 0.2381-0.0000-0.0000 ( 4101 PWs) bands (ev): -7.3254 -7.3254 -6.3520 -6.3520 -3.8730 -3.8730 -3.5764 -3.5764 2.1851 2.1851 2.5911 2.5911 2.6948 2.6948 3.3745 3.3745 3.8610 3.8610 4.3066 4.3066 4.4986 4.4986 4.6160 4.6160 4.6592 4.6592 5.2882 5.2882 5.4091 5.4091 5.5350 5.5350 5.5672 5.5672 5.6135 5.6135 5.8676 5.8676 6.0804 6.0804 6.8743 6.8743 7.6548 7.6548 8.0147 8.0147 8.4964 8.4964 9.8541 9.8541 10.7026 10.7026 11.6836 11.6836 13.4537 13.4537 k = 0.2500-0.0000-0.0000 ( 4097 PWs) bands (ev): -7.2980 -7.2980 -6.3544 -6.3544 -3.8573 -3.8573 -3.5702 -3.5702 2.2239 2.2239 2.5503 2.5503 2.6641 2.6641 3.3681 3.3681 3.8604 3.8604 4.3064 4.3064 4.4565 4.4565 4.5706 4.5706 4.6522 4.6522 5.3099 5.3099 5.4342 5.4342 5.5393 5.5393 5.5680 5.5680 5.6213 5.6213 5.8647 5.8647 6.0612 6.0612 6.8910 6.8910 7.5475 7.5475 7.9663 7.9663 8.4385 8.4385 9.8227 9.8227 10.6656 10.6656 11.6397 11.6397 13.3856 13.3856 k = 0.2619-0.0000-0.0000 ( 4095 PWs) bands (ev): -7.2699 -7.2699 -6.3575 -6.3575 -3.8414 -3.8414 -3.5642 -3.5642 2.2600 2.2600 2.5091 2.5091 2.6352 2.6352 3.3627 3.3627 3.8642 3.8642 4.3020 4.3020 4.4149 4.4149 4.5194 4.5194 4.6561 4.6561 5.3218 5.3218 5.4629 5.4629 5.5472 5.5472 5.5703 5.5703 5.6304 5.6304 5.8610 5.8610 6.0424 6.0424 6.9075 6.9075 7.4425 7.4425 7.9197 7.9197 8.3790 8.3790 9.7906 9.7906 10.6265 10.6265 11.5982 11.5982 13.2968 13.2968 k = 0.2738-0.0000-0.0000 ( 4093 PWs) bands (ev): -7.2409 -7.2409 -6.3615 -6.3615 -3.8252 -3.8252 -3.5585 -3.5585 2.2879 2.2879 2.4743 2.4743 2.6071 2.6071 3.3583 3.3583 3.8717 3.8717 4.2887 4.2887 4.3786 4.3786 4.4706 4.4706 4.6633 4.6633 5.3274 5.3274 5.4847 5.4847 5.5557 5.5557 5.5843 5.5843 5.6405 5.6405 5.8569 5.8569 6.0240 6.0240 6.9239 6.9239 7.3402 7.3402 7.8749 7.8749 8.3184 8.3184 9.7584 9.7584 10.5855 10.5855 11.5596 11.5596 13.1966 13.1966 k = 0.2857-0.0000-0.0000 ( 4097 PWs) bands (ev): -7.2113 -7.2113 -6.3664 -6.3664 -3.8088 -3.8088 -3.5530 -3.5530 2.2963 2.2963 2.4573 2.4573 2.5808 2.5808 3.3551 3.3551 3.8824 3.8824 4.2615 4.2615 4.3504 4.3504 4.4277 4.4277 4.6727 4.6727 5.3293 5.3293 5.4953 5.4953 5.5575 5.5575 5.6174 5.6174 5.6521 5.6521 5.8526 5.8526 6.0060 6.0060 6.9401 6.9401 7.2410 7.2410 7.8315 7.8315 8.2569 8.2569 9.7266 9.7266 10.5428 10.5428 11.5242 11.5242 13.0907 13.0907 k = 0.2976-0.0000-0.0000 ( 4097 PWs) bands (ev): -7.1810 -7.1810 -6.3723 -6.3723 -3.7924 -3.7924 -3.5479 -3.5479 2.2784 2.2784 2.4600 2.4600 2.5617 2.5617 3.3532 3.3532 3.8956 3.8956 4.2229 4.2229 4.3221 4.3221 4.3974 4.3974 4.6839 4.6839 5.3291 5.3291 5.4992 5.4992 5.5569 5.5569 5.6494 5.6494 5.6744 5.6744 5.8490 5.8490 5.9885 5.9885 6.9562 6.9562 7.1454 7.1454 7.7892 7.7892 8.1951 8.1951 9.6957 9.6957 10.4983 10.4983 11.4924 11.4924 12.9825 12.9825 k = 0.3095-0.0000-0.0000 ( 4097 PWs) bands (ev): -7.1501 -7.1501 -6.3792 -6.3792 -3.7759 -3.7759 -3.5432 -3.5432 2.2443 2.2443 2.4585 2.4585 2.5645 2.5645 3.3525 3.3525 3.9107 3.9107 4.1793 4.1793 4.2845 4.2845 4.3825 4.3825 4.6967 4.6967 5.3271 5.3271 5.5002 5.5002 5.5557 5.5557 5.6633 5.6633 5.7156 5.7156 5.8480 5.8480 5.9719 5.9719 6.9715 6.9715 7.0546 7.0546 7.7477 7.7477 8.1331 8.1331 9.6663 9.6663 10.4523 10.4523 11.4642 11.4642 12.8741 12.8741 k = 0.3214-0.0000-0.0000 ( 4101 PWs) bands (ev): -7.1188 -7.1188 -6.3871 -6.3871 -3.7594 -3.7594 -3.5389 -3.5389 2.2047 2.2047 2.4374 2.4374 2.5942 2.5942 3.3532 3.3532 3.9269 3.9269 4.1345 4.1345 4.2411 4.2411 4.3766 4.3766 4.7112 4.7112 5.3237 5.3237 5.5000 5.5000 5.5545 5.5545 5.6724 5.6724 5.7543 5.7543 5.8543 5.8543 5.9569 5.9569 6.9594 6.9594 6.9959 6.9959 7.7065 7.7065 8.0714 8.0714 9.6388 9.6388 10.4050 10.4050 11.4400 11.4400 12.7668 12.7668 k = 0.3333-0.0000-0.0000 ( 4109 PWs) bands (ev): -7.0871 -7.0871 -6.3962 -6.3962 -3.7431 -3.7431 -3.5352 -3.5352 2.1646 2.1646 2.4058 2.4058 2.6376 2.6376 3.3554 3.3554 3.9431 3.9431 4.0904 4.0904 4.1960 4.1960 4.3742 4.3742 4.7271 4.7271 5.3191 5.3191 5.4994 5.4994 5.5535 5.5535 5.6796 5.6796 5.7771 5.7771 5.8734 5.8734 5.9465 5.9465 6.8812 6.8812 7.0086 7.0086 7.6653 7.6653 8.0103 8.0103 9.6139 9.6139 10.3565 10.3565 11.4198 11.4198 12.6617 12.6617 k = 0.3452-0.0000-0.0000 ( 4109 PWs) bands (ev): -7.0551 -7.0551 -6.4065 -6.4065 -3.7270 -3.7270 -3.5321 -3.5321 2.1259 2.1259 2.3700 2.3700 2.6870 2.6870 3.3591 3.3591 3.9561 3.9561 4.0494 4.0494 4.1517 4.1517 4.3730 4.3730 4.7445 4.7445 5.3129 5.3129 5.4988 5.4988 5.5528 5.5528 5.6853 5.6853 5.7839 5.7839 5.8918 5.8918 5.9537 5.9537 6.8053 6.8053 7.0254 7.0254 7.6235 7.6235 7.9501 7.9501 9.5921 9.5921 10.3070 10.3070 11.4036 11.4036 12.5592 12.5592 k = 0.3571-0.0000-0.0000 ( 4115 PWs) bands (ev): -7.0229 -7.0229 -6.4181 -6.4181 -3.7111 -3.7111 -3.5295 -3.5295 2.0899 2.0899 2.3322 2.3322 2.7395 2.7395 3.3644 3.3644 3.9563 3.9563 4.0190 4.0190 4.1112 4.1112 4.3720 4.3720 4.7635 4.7635 5.3053 5.3053 5.4986 5.4986 5.5525 5.5525 5.6889 5.6889 5.7831 5.7831 5.8900 5.8900 5.9880 5.9880 6.7364 6.7364 7.0430 7.0430 7.5809 7.5809 7.8911 7.8911 9.5738 9.5738 10.2569 10.2569 11.3917 11.3917 12.4600 12.4600 k = 0.3690-0.0000-0.0000 ( 4119 PWs) bands (ev): -6.9906 -6.9906 -6.4308 -6.4308 -3.6955 -3.6955 -3.5277 -3.5277 2.0570 2.0570 2.2937 2.2937 2.7939 2.7939 3.3713 3.3713 3.9312 3.9312 4.0034 4.0034 4.0827 4.0827 4.3705 4.3705 4.7839 4.7839 5.2961 5.2961 5.4989 5.4989 5.5527 5.5527 5.6903 5.6903 5.7795 5.7795 5.8809 5.8809 6.0308 6.0308 6.6765 6.6765 7.0612 7.0612 7.5371 7.5371 7.8336 7.8336 9.5593 9.5593 10.2062 10.2062 11.3840 11.3840 12.3643 12.3643 k = 0.3810-0.0000-0.0000 ( 4112 PWs) bands (ev): -6.9583 -6.9583 -6.4449 -6.4449 -3.6802 -3.6802 -3.5266 -3.5266 2.0278 2.0278 2.2550 2.2550 2.8495 2.8495 3.3800 3.3800 3.8926 3.8926 3.9784 3.9784 4.0784 4.0784 4.3683 4.3683 4.8057 4.8057 5.2851 5.2851 5.4999 5.4999 5.5534 5.5534 5.6894 5.6894 5.7746 5.7746 5.8719 5.8719 6.0707 6.0707 6.6284 6.6284 7.0803 7.0803 7.4918 7.4918 7.7777 7.7777 9.5492 9.5492 10.1553 10.1553 11.3806 11.3806 12.2724 12.2724 k = 0.3929-0.0000-0.0000 ( 4104 PWs) bands (ev): -6.9261 -6.9261 -6.4602 -6.4602 -3.6655 -3.6655 -3.5262 -3.5262 2.0025 2.0025 2.2168 2.2168 2.9060 2.9060 3.3903 3.3903 3.8508 3.8508 3.9409 3.9409 4.0912 4.0912 4.3651 4.3651 4.8288 4.8288 5.2724 5.2724 5.5016 5.5016 5.5546 5.5546 5.6863 5.6863 5.7684 5.7684 5.8656 5.8656 6.1017 6.1017 6.5959 6.5959 7.1001 7.1001 7.4447 7.4447 7.7237 7.7237 9.5435 9.5435 10.1044 10.1044 11.3816 11.3816 12.1846 12.1846 k = 0.4048-0.0000-0.0000 ( 4104 PWs) bands (ev): -6.8940 -6.8940 -6.4769 -6.4769 -3.6512 -3.6512 -3.5266 -3.5266 1.9812 1.9812 2.1796 2.1796 2.9630 2.9630 3.4022 3.4022 3.8079 3.8079 3.8993 3.8993 4.1101 4.1101 4.3608 4.3608 4.8532 4.8532 5.2576 5.2576 5.5042 5.5042 5.5562 5.5562 5.6814 5.6814 5.7603 5.7603 5.8631 5.8631 6.1192 6.1192 6.5827 6.5827 7.1208 7.1208 7.3958 7.3958 7.6717 7.6717 9.5425 9.5425 10.0539 10.0539 11.3870 11.3870 12.1009 12.1009 k = 0.4167-0.0000-0.0000 ( 4112 PWs) bands (ev): -6.8622 -6.8622 -6.4949 -6.4949 -3.6375 -3.6375 -3.5279 -3.5279 1.9641 1.9641 2.1438 2.1438 3.0202 3.0202 3.4158 3.4158 3.7648 3.7648 3.8569 3.8569 4.1311 4.1311 4.3551 4.3551 4.8786 4.8786 5.2408 5.2408 5.5077 5.5077 5.5581 5.5581 5.6754 5.6754 5.7503 5.7503 5.8646 5.8646 6.1212 6.1212 6.5903 6.5903 7.1426 7.1426 7.3448 7.3448 7.6218 7.6218 9.5462 9.5462 10.0040 10.0040 11.3969 11.3969 12.0216 12.0216 k = 0.4286-0.0000-0.0000 ( 4112 PWs) bands (ev): -6.8308 -6.8308 -6.5141 -6.5141 -3.6244 -3.6244 -3.5300 -3.5300 1.9513 1.9513 2.1099 2.1099 3.0774 3.0774 3.4307 3.4307 3.7216 3.7216 3.8147 3.8147 4.1528 4.1528 4.3480 4.3480 4.9051 4.9051 5.2220 5.2220 5.5120 5.5120 5.5600 5.5600 5.6692 5.6692 5.7388 5.7388 5.8700 5.8700 6.1096 6.1096 6.6167 6.6167 7.1655 7.1655 7.2918 7.2918 7.5742 7.5742 9.5548 9.5548 9.9549 9.9549 11.4113 11.4113 11.9468 11.9468 k = 0.4405-0.0000-0.0000 ( 4116 PWs) bands (ev): -6.7998 -6.7998 -6.5347 -6.5347 -3.6120 -3.6120 -3.5330 -3.5330 1.9428 1.9428 2.0782 2.0782 3.1344 3.1344 3.4466 3.4466 3.6787 3.6787 3.7736 3.7736 4.1746 4.1746 4.3393 4.3393 4.9324 4.9324 5.2014 5.2014 5.5172 5.5172 5.5616 5.5616 5.6636 5.6636 5.7263 5.7263 5.8787 5.8787 6.0889 6.0889 6.6569 6.6569 7.1895 7.1895 7.2372 7.2372 7.5287 7.5287 9.5680 9.5680 9.9071 9.9071 11.4302 11.4302 11.8765 11.8765 k = 0.4524-0.0000-0.0000 ( 4126 PWs) bands (ev): -6.7694 -6.7694 -6.5564 -6.5564 -3.6003 -3.6003 -3.5369 -3.5369 1.9386 1.9386 2.0490 2.0490 3.1907 3.1907 3.4622 3.4622 3.6372 3.6372 3.7341 3.7341 4.1960 4.1960 4.3291 4.3291 4.9604 4.9604 5.1790 5.1790 5.5229 5.5229 5.5622 5.5622 5.6596 5.6596 5.7135 5.7135 5.8903 5.8903 6.0636 6.0636 6.7061 6.7061 7.1796 7.1796 7.2160 7.2160 7.4855 7.4855 9.5858 9.5858 9.8608 9.8608 11.4538 11.4538 11.8107 11.8107 k = 0.4643-0.0000-0.0000 ( 4128 PWs) bands (ev): -6.7396 -6.7396 -6.5794 -6.5794 -3.5894 -3.5894 -3.5417 -3.5417 1.9386 1.9386 2.0227 2.0227 3.2461 3.2461 3.4736 3.4736 3.6008 3.6008 3.6967 3.6967 4.2167 4.2167 4.3174 4.3174 4.9889 4.9889 5.1547 5.1547 5.5293 5.5293 5.5615 5.5615 5.6578 5.6578 5.7011 5.7011 5.9045 5.9045 6.0366 6.0366 6.7611 6.7611 7.1216 7.1216 7.2429 7.2429 7.4446 7.4446 9.6079 9.6079 9.8164 9.8164 11.4820 11.4820 11.7497 11.7497 k = 0.4762-0.0000-0.0000 ( 4130 PWs) bands (ev): -6.7106 -6.7106 -6.6036 -6.6036 -3.5793 -3.5793 -3.5474 -3.5474 1.9429 1.9429 1.9995 1.9995 3.3003 3.3003 3.4706 3.4706 3.5796 3.5796 3.6618 3.6618 4.2366 4.2366 4.3040 4.3040 5.0176 5.0176 5.1291 5.1291 5.5360 5.5360 5.5590 5.5590 5.6590 5.6590 5.6893 5.6893 5.9211 5.9211 6.0100 6.0100 6.8194 6.8194 7.0621 7.0621 7.2717 7.2717 7.4058 7.4058 9.6341 9.6341 9.7742 9.7742 11.5148 11.5148 11.6933 11.6933 k = 0.4881-0.0000-0.0000 ( 4132 PWs) bands (ev): -6.6824 -6.6824 -6.6288 -6.6288 -3.5700 -3.5700 -3.5541 -3.5541 1.9513 1.9513 1.9798 1.9798 3.3524 3.3524 3.4436 3.4436 3.5831 3.5831 3.6301 3.6301 4.2554 4.2554 4.2892 4.2892 5.0463 5.0463 5.1023 5.1023 5.5427 5.5427 5.5547 5.5547 5.6631 5.6631 5.6787 5.6787 5.9400 5.9400 5.9846 5.9846 6.8795 6.8795 7.0016 7.0016 7.3023 7.3023 7.3693 7.3693 9.6642 9.6642 9.7346 9.7346 11.5524 11.5524 11.6416 11.6416 k = 0.5000-0.0000-0.0000 ( 4124 PWs) bands (ev): -6.6552 -6.6552 -6.6552 -6.6552 -3.5616 -3.5616 -3.5616 -3.5616 1.9636 1.9636 1.9636 1.9636 3.4013 3.4013 3.4013 3.4013 3.6028 3.6028 3.6028 3.6028 4.2730 4.2730 4.2730 4.2730 5.0746 5.0746 5.0746 5.0746 5.5492 5.5492 5.5492 5.5492 5.6699 5.6699 5.6699 5.6699 5.9613 5.9613 5.9613 5.9613 6.9405 6.9405 6.9405 6.9405 7.3348 7.3348 7.3348 7.3348 9.6978 9.6978 9.6978 9.6978 11.5946 11.5946 11.5946 11.5946 k = 0.5000-0.0000-0.0000 ( 4124 PWs) bands (ev): -6.6552 -6.6552 -6.6552 -6.6552 -3.5616 -3.5616 -3.5616 -3.5616 1.9636 1.9636 1.9636 1.9636 3.4013 3.4013 3.4013 3.4013 3.6028 3.6028 3.6028 3.6028 4.2730 4.2730 4.2730 4.2730 5.0746 5.0746 5.0746 5.0746 5.5492 5.5492 5.5492 5.5492 5.6699 5.6699 5.6699 5.6699 5.9613 5.9613 5.9613 5.9613 6.9405 6.9405 6.9405 6.9405 7.3348 7.3348 7.3348 7.3348 9.6978 9.6978 9.6978 9.6978 11.5946 11.5946 11.5946 11.5946 k = 0.5000 0.0117-0.0000 ( 4126 PWs) bands (ev): -6.6548 -6.6548 -6.6547 -6.6547 -3.5626 -3.5626 -3.5624 -3.5624 1.9632 1.9632 1.9661 1.9661 3.3830 3.3830 3.4060 3.4060 3.5979 3.5979 3.6207 3.6207 4.2716 4.2716 4.2737 4.2737 5.0747 5.0747 5.0764 5.0764 5.5482 5.5482 5.5498 5.5498 5.6694 5.6694 5.6703 5.6703 5.9575 5.9575 5.9592 5.9592 6.9350 6.9350 6.9422 6.9422 7.3344 7.3344 7.3379 7.3379 9.6997 9.6997 9.7035 9.7035 11.5976 11.5976 11.6049 11.6049 k = 0.5000 0.0234-0.0000 ( 4126 PWs) bands (ev): -6.6535 -6.6535 -6.6534 -6.6534 -3.5653 -3.5653 -3.5650 -3.5650 1.9649 1.9649 1.9707 1.9707 3.3564 3.3564 3.3954 3.3954 3.6076 3.6076 3.6464 3.6464 4.2697 4.2697 4.2738 4.2738 5.0766 5.0766 5.0800 5.0800 5.5468 5.5468 5.5501 5.5501 5.6687 5.6687 5.6705 5.6705 5.9479 5.9479 5.9512 5.9512 6.9258 6.9258 6.9400 6.9400 7.3367 7.3367 7.3436 7.3436 9.7091 9.7091 9.7168 9.7168 11.6139 11.6139 11.6284 11.6284 k = 0.5000 0.0350-0.0000 ( 4126 PWs) bands (ev): -6.6515 -6.6515 -6.6513 -6.6513 -3.5698 -3.5698 -3.5693 -3.5693 1.9687 1.9687 1.9774 1.9774 3.3258 3.3258 3.3741 3.3741 3.6273 3.6273 3.6750 3.6750 4.2675 4.2675 4.2735 4.2735 5.0804 5.0804 5.0854 5.0854 5.5451 5.5451 5.5499 5.5499 5.6678 5.6678 5.6705 5.6705 5.9326 5.9326 5.9377 5.9377 6.9133 6.9133 6.9341 6.9341 7.3420 7.3420 7.3522 7.3522 9.7260 9.7260 9.7374 9.7374 11.6431 11.6431 11.6648 11.6648 k = 0.5000 0.0467-0.0000 ( 4126 PWs) bands (ev): -6.6486 -6.6486 -6.6484 -6.6484 -3.5759 -3.5759 -3.5753 -3.5753 1.9745 1.9745 1.9862 1.9862 3.2940 3.2940 3.3472 3.3472 3.6512 3.6512 3.7038 3.7038 4.2651 4.2651 4.2730 4.2730 5.0858 5.0858 5.0924 5.0924 5.5431 5.5431 5.5493 5.5493 5.6667 5.6667 5.6704 5.6704 5.9119 5.9119 5.9187 5.9187 6.8978 6.8978 6.9250 6.9250 7.3504 7.3504 7.3637 7.3637 9.7499 9.7499 9.7649 9.7649 11.6850 11.6850 11.7136 11.7136 k = 0.5000 0.0584-0.0000 ( 4126 PWs) bands (ev): -6.6449 -6.6449 -6.6447 -6.6447 -3.5838 -3.5838 -3.5830 -3.5830 1.9824 1.9824 1.9970 1.9970 3.2623 3.2623 3.3183 3.3183 3.6754 3.6754 3.7307 3.7307 4.2631 4.2631 4.2726 4.2726 5.0926 5.0926 5.1008 5.1008 5.5407 5.5407 5.5480 5.5480 5.6652 5.6652 5.6699 5.6699 5.8864 5.8864 5.8948 5.8948 6.8801 6.8801 6.9130 6.9130 7.3623 7.3623 7.3784 7.3784 9.7805 9.7805 9.7989 9.7989 11.7390 11.7390 11.7743 11.7743 k = 0.5000 0.0701-0.0000 ( 4110 PWs) bands (ev): -6.6405 -6.6405 -6.6402 -6.6402 -3.5932 -3.5932 -3.5923 -3.5923 1.9924 1.9924 2.0098 2.0098 3.2317 3.2317 3.2895 3.2895 3.6974 3.6974 3.7543 3.7543 4.2619 4.2619 4.2729 4.2729 5.1007 5.1007 5.1103 5.1103 5.5379 5.5379 5.5459 5.5459 5.6631 5.6631 5.6690 5.6690 5.8569 5.8569 5.8665 5.8665 6.8608 6.8608 6.8987 6.8987 7.3779 7.3779 7.3967 7.3967 9.8171 9.8171 9.8388 9.8388 11.8043 11.8043 11.8461 11.8461 k = 0.5000 0.0817-0.0000 ( 4106 PWs) bands (ev): -6.6354 -6.6354 -6.6350 -6.6350 -3.6041 -3.6041 -3.6031 -3.6031 2.0044 2.0044 2.0247 2.0247 3.2029 3.2029 3.2617 3.2617 3.7156 3.7156 3.7733 3.7733 4.2619 4.2619 4.2742 4.2742 5.1095 5.1095 5.1204 5.1204 5.5345 5.5345 5.5424 5.5424 5.6601 5.6601 5.6674 5.6674 5.8246 5.8246 5.8348 5.8348 6.8405 6.8405 6.8828 6.8828 7.3976 7.3976 7.4188 7.4188 9.8590 9.8590 9.8838 9.8838 11.8803 11.8803 11.9282 11.9282 k = 0.5000 0.0934-0.0000 ( 4114 PWs) bands (ev): -6.6295 -6.6295 -6.6291 -6.6291 -3.6164 -3.6164 -3.6153 -3.6153 2.0183 2.0183 2.0415 2.0415 3.1762 3.1762 3.2357 3.2357 3.7285 3.7285 3.7868 3.7868 4.2636 4.2636 4.2769 4.2769 5.1185 5.1185 5.1306 5.1306 5.5304 5.5304 5.5368 5.5368 5.6554 5.6554 5.6646 5.6646 5.7916 5.7916 5.8009 5.8009 6.8200 6.8200 6.8658 6.8658 7.4217 7.4217 7.4453 7.4453 9.9057 9.9057 9.9334 9.9334 11.9659 11.9659 12.0199 12.0199 k = 0.5000 0.1051-0.0000 ( 4124 PWs) bands (ev): -6.6230 -6.6230 -6.6225 -6.6225 -3.6301 -3.6301 -3.6288 -3.6288 2.0342 2.0342 2.0602 2.0602 3.1521 3.1521 3.2119 3.2119 3.7356 3.7356 3.7942 3.7942 4.2672 4.2672 4.2813 4.2813 5.1271 5.1271 5.1400 5.1400 5.5255 5.5255 5.5279 5.5279 5.6480 5.6480 5.6594 5.6594 5.7609 5.7609 5.7673 5.7673 6.7999 6.7999 6.8483 6.8483 7.4507 7.4507 7.4764 7.4764 9.9562 9.9562 9.9867 9.9867 12.0604 12.0604 12.1202 12.1202 k = 0.5000 0.1168-0.0000 ( 4116 PWs) bands (ev): -6.6159 -6.6159 -6.6154 -6.6154 -3.6449 -3.6449 -3.6435 -3.6435 2.0520 2.0520 2.0807 2.0807 3.1308 3.1308 3.1908 3.1908 3.7364 3.7364 3.7952 3.7952 4.2728 4.2728 4.2875 4.2875 5.1343 5.1343 5.1476 5.1476 5.5138 5.5138 5.5193 5.5193 5.6375 5.6375 5.6498 5.6498 5.7364 5.7364 5.7375 5.7375 6.7807 6.7807 6.8309 6.8309 7.4849 7.4849 7.5125 7.5125 10.0098 10.0098 10.0428 10.0428 12.1627 12.1627 12.2282 12.2282 k = 0.5000 0.1284-0.0000 ( 4116 PWs) bands (ev): -6.6082 -6.6082 -6.6076 -6.6076 -3.6608 -3.6608 -3.6592 -3.6592 2.0717 2.0717 2.1031 2.1031 3.1125 3.1125 3.1724 3.1724 3.7309 3.7309 3.7899 3.7899 4.2802 4.2802 4.2953 4.2953 5.1387 5.1387 5.1520 5.1520 5.4922 5.4922 5.5114 5.5114 5.6251 5.6251 5.6335 5.6335 5.7161 5.7161 5.7200 5.7200 6.7628 6.7628 6.8140 6.8140 7.5247 7.5247 7.5540 7.5540 10.0654 10.0654 10.1009 10.1009 12.2717 12.2717 12.3430 12.3430 k = 0.5000 0.1401-0.0000 ( 4106 PWs) bands (ev): -6.6000 -6.6000 -6.5994 -6.5994 -3.6775 -3.6775 -3.6759 -3.6759 2.0932 2.0932 2.1273 2.1273 3.0973 3.0973 3.1570 3.1570 3.7194 3.7194 3.7786 3.7786 4.2892 4.2892 4.3042 4.3042 5.1384 5.1384 5.1514 5.1514 5.4635 5.4635 5.5012 5.5012 5.6121 5.6121 5.6141 5.6141 5.7038 5.7038 5.7106 5.7106 6.7466 6.7466 6.7980 6.7980 7.5702 7.5702 7.6013 7.6013 10.1223 10.1223 10.1601 10.1601 12.3864 12.3864 12.4634 12.4634 k = 0.5000 0.1518-0.0000 ( 4114 PWs) bands (ev): -6.5914 -6.5914 -6.5908 -6.5908 -3.6951 -3.6951 -3.6933 -3.6933 2.1165 2.1165 2.1531 2.1531 3.0853 3.0853 3.1447 3.1447 3.7024 3.7024 3.7620 3.7620 4.2990 4.2990 4.3136 4.3136 5.1308 5.1308 5.1434 5.1434 5.4311 5.4311 5.4887 5.4887 5.5912 5.5912 5.6062 5.6062 5.6974 5.6974 5.7056 5.7056 6.7321 6.7321 6.7831 6.7831 7.6219 7.6219 7.6544 7.6544 10.1793 10.1793 10.2193 10.2193 12.5055 12.5055 12.5885 12.5885 k = 0.5000 0.1635-0.0000 ( 4110 PWs) bands (ev): -6.5825 -6.5825 -6.5818 -6.5818 -3.7133 -3.7133 -3.7114 -3.7114 2.1414 2.1414 2.1805 2.1805 3.0765 3.0765 3.1354 3.1354 3.6805 3.6805 3.7407 3.7407 4.3093 4.3093 4.3233 4.3233 5.1128 5.1128 5.1260 5.1260 5.4005 5.4005 5.4755 5.4755 5.5747 5.5747 5.6012 5.6012 5.6939 5.6939 5.7031 5.7031 6.7194 6.7194 6.7696 6.7696 7.6798 7.6798 7.7137 7.7137 10.2355 10.2355 10.2775 10.2775 12.6278 12.6278 12.7170 12.7170 k = 0.5000 0.1751-0.0000 ( 4106 PWs) bands (ev): -6.5732 -6.5732 -6.5725 -6.5725 -3.7319 -3.7319 -3.7299 -3.7299 2.1681 2.1681 2.2095 2.2095 3.0710 3.0710 3.1291 3.1291 3.6546 3.6546 3.7156 3.7156 4.3196 4.3196 4.3325 4.3325 5.0824 5.0824 5.0982 5.0982 5.3761 5.3761 5.4641 5.4641 5.5628 5.5628 5.5982 5.5982 5.6919 5.6919 5.7022 5.7022 6.7087 6.7087 6.7575 6.7575 7.7439 7.7439 7.7792 7.7792 10.2898 10.2898 10.3337 10.3337 12.7518 12.7518 12.8476 12.8476 k = 0.5000 0.1868-0.0000 ( 4108 PWs) bands (ev): -6.5638 -6.5638 -6.5630 -6.5630 -3.7507 -3.7507 -3.7487 -3.7487 2.1963 2.1963 2.2399 2.2399 3.0686 3.0686 3.1258 3.1258 3.6253 3.6253 3.6872 3.6872 4.3293 4.3293 4.3409 4.3409 5.0397 5.0397 5.0602 5.0602 5.3595 5.3595 5.4564 5.4564 5.5545 5.5545 5.5966 5.5966 5.6907 5.6907 5.7021 5.7021 6.6997 6.6997 6.7469 6.7469 7.8143 7.8143 7.8507 7.8507 10.3409 10.3409 10.3868 10.3868 12.8758 12.8758 12.9786 12.9786 k = 0.5000 0.1985-0.0000 ( 4104 PWs) bands (ev): -6.5543 -6.5543 -6.5535 -6.5535 -3.7697 -3.7697 -3.7675 -3.7675 2.2260 2.2260 2.2717 2.2717 3.0691 3.0691 3.1252 3.1252 3.5933 3.5933 3.6565 3.6565 4.3381 4.3381 4.3479 4.3479 4.9871 4.9871 5.0138 5.0138 5.3494 5.3494 5.4524 5.4524 5.5486 5.5486 5.5959 5.5959 5.6900 5.6900 5.7027 5.7027 6.6923 6.6923 6.7377 6.7377 7.8907 7.8907 7.9283 7.9283 10.3878 10.3878 10.4356 10.4356 12.9978 12.9978 13.1084 13.1084 k = 0.5000 0.2102-0.0000 ( 4108 PWs) bands (ev): -6.5447 -6.5447 -6.5439 -6.5439 -3.7885 -3.7885 -3.7863 -3.7863 2.2572 2.2572 2.3048 2.3048 3.0723 3.0723 3.1269 3.1269 3.5595 3.5595 3.6241 3.6241 4.3457 4.3457 4.3532 4.3532 4.9282 4.9282 4.9615 4.9615 5.3437 5.3437 5.4512 5.4512 5.5443 5.5443 5.5958 5.5958 5.6896 5.6896 5.7036 5.7036 6.6863 6.6863 6.7299 6.7299 7.9729 7.9729 8.0116 8.0116 10.4292 10.4292 10.4790 10.4790 13.1155 13.1155 13.2343 13.2343 k = 0.5000 0.2218-0.0000 ( 4108 PWs) bands (ev): -6.5353 -6.5353 -6.5344 -6.5344 -3.8071 -3.8071 -3.8048 -3.8048 2.2898 2.2898 2.3391 2.3391 3.0776 3.0776 3.1305 3.1305 3.5247 3.5247 3.5910 3.5910 4.3517 4.3517 4.3561 4.3561 4.8659 4.8659 4.9054 4.9054 5.3407 5.3407 5.4519 5.4519 5.5413 5.5413 5.5960 5.5960 5.6893 5.6893 5.7047 5.7047 6.6816 6.6816 6.7233 6.7233 8.0603 8.0603 8.1002 8.1002 10.4639 10.4639 10.5158 10.5158 13.2261 13.2261 13.3537 13.3537 k = 0.5000 0.2335-0.0000 ( 4108 PWs) bands (ev): -6.5260 -6.5260 -6.5250 -6.5250 -3.8253 -3.8253 -3.8228 -3.8228 2.3236 2.3236 2.3746 2.3746 3.0843 3.0843 3.1351 3.1351 3.4899 3.4899 3.5583 3.5583 4.3557 4.3557 4.3558 4.3558 4.8030 4.8030 4.8478 4.8478 5.3392 5.3392 5.4534 5.4534 5.5393 5.5393 5.5965 5.5965 5.6892 5.6892 5.7060 5.7060 6.6780 6.6780 6.7177 6.7177 8.1525 8.1525 8.1936 8.1936 10.4908 10.4908 10.5448 10.5448 13.3265 13.3265 13.4629 13.4629 k = 0.5000 0.2452-0.0000 ( 4108 PWs) bands (ev): -6.5169 -6.5169 -6.5159 -6.5159 -3.8428 -3.8428 -3.8403 -3.8403 2.3587 2.3587 2.4110 2.4110 3.0914 3.0914 3.1395 3.1395 3.4567 3.4567 3.5272 3.5272 4.3514 4.3514 4.3572 4.3572 4.7421 4.7421 4.7904 4.7904 5.3383 5.3383 5.4552 5.4552 5.5381 5.5381 5.5972 5.5972 5.6891 5.6891 5.7072 5.7072 6.6753 6.6753 6.7132 6.7132 8.2486 8.2486 8.2912 8.2912 10.5088 10.5088 10.5651 10.5651 13.4135 13.4135 13.5579 13.5579 k = 0.5000 0.2569-0.0000 ( 4112 PWs) bands (ev): -6.5083 -6.5083 -6.5072 -6.5072 -3.8594 -3.8594 -3.8569 -3.8569 2.3949 2.3949 2.4485 2.4485 3.0974 3.0974 3.1419 3.1419 3.4268 3.4268 3.4993 3.4993 4.3411 4.3411 4.3556 4.3556 4.6856 4.6856 4.7352 4.7352 5.3378 5.3378 5.4569 5.4569 5.5375 5.5375 5.5979 5.5979 5.6892 5.6892 5.7084 5.7084 6.6733 6.6733 6.7095 6.7095 8.3477 8.3477 8.3921 8.3921 10.5172 10.5172 10.5760 10.5760 13.4848 13.4848 13.6350 13.6350 k = 0.5000 0.2685-0.0000 ( 4108 PWs) bands (ev): -6.5001 -6.5001 -6.4990 -6.4990 -3.8751 -3.8751 -3.8725 -3.8725 2.4322 2.4322 2.4868 2.4868 3.1003 3.1003 3.1396 3.1396 3.4029 3.4029 3.4768 3.4768 4.3232 4.3232 4.3500 4.3500 4.6366 4.6366 4.6841 4.6841 5.3374 5.3374 5.4582 5.4582 5.5374 5.5374 5.5986 5.5986 5.6893 5.6893 5.7096 5.7096 6.6719 6.6719 6.7066 6.7066 8.4489 8.4489 8.4954 8.4954 10.5152 10.5152 10.5770 10.5770 13.5394 13.5394 13.6924 13.6924 k = 0.5000 0.2802-0.0000 ( 4112 PWs) bands (ev): -6.4924 -6.4924 -6.4913 -6.4913 -3.8897 -3.8897 -3.8870 -3.8870 2.4703 2.4703 2.5259 2.5259 3.0977 3.0977 3.1301 3.1301 3.3875 3.3875 3.4618 3.4618 4.2962 4.2962 4.3393 4.3393 4.5972 4.5972 4.6389 4.6389 5.3371 5.3371 5.4591 5.4591 5.5377 5.5377 5.5992 5.5992 5.6893 5.6893 5.7107 5.7107 6.6710 6.6710 6.7042 6.7042 8.5508 8.5508 8.5999 8.5999 10.5030 10.5030 10.5680 10.5680 13.5784 13.5784 13.7309 13.7309 k = 0.5000 0.2919-0.0000 ( 4116 PWs) bands (ev): -6.4854 -6.4854 -6.4843 -6.4843 -3.9029 -3.9029 -3.9002 -3.9002 2.5092 2.5092 2.5658 2.5658 3.0879 3.0879 3.1119 3.1119 3.3817 3.3817 3.4559 3.4559 4.2602 4.2602 4.3230 4.3230 4.5682 4.5682 4.6016 4.6016 5.3367 5.3367 5.4597 5.4597 5.5382 5.5382 5.5998 5.5998 5.6894 5.6894 5.7116 5.7116 6.6703 6.6703 6.7023 6.7023 8.6518 8.6518 8.7041 8.7041 10.4809 10.4809 10.5498 10.5498 13.6049 13.6049 13.7544 13.7544 k = 0.5000 0.3036-0.0000 ( 4112 PWs) bands (ev): -6.4792 -6.4792 -6.4780 -6.4780 -3.9147 -3.9147 -3.9119 -3.9119 2.5487 2.5487 2.6063 2.6063 3.0701 3.0701 3.0858 3.0858 3.3845 3.3845 3.4595 3.4595 4.2175 4.2175 4.3012 4.3012 4.5484 4.5484 4.5728 4.5728 5.3363 5.3363 5.4600 5.4600 5.5389 5.5389 5.6004 5.6004 5.6895 5.6895 5.7124 5.7124 6.6700 6.6700 6.7009 6.7009 8.7500 8.7500 8.8062 8.8062 10.4501 10.4501 10.5234 10.5234 13.6225 13.6225 13.7678 13.7678 k = 0.5000 0.3152-0.0000 ( 4112 PWs) bands (ev): -6.4737 -6.4737 -6.4726 -6.4726 -3.9249 -3.9249 -3.9221 -3.9221 2.5883 2.5883 2.6473 2.6473 3.0451 3.0451 3.0538 3.0538 3.3934 3.3934 3.4712 3.4712 4.1716 4.1716 4.2755 4.2755 4.5354 4.5354 4.5521 4.5521 5.3360 5.3360 5.4602 5.4602 5.5396 5.5396 5.6009 5.6009 5.6896 5.6896 5.7131 5.7131 6.6698 6.6698 6.6998 6.6998 8.8430 8.8430 8.9038 8.9038 10.4125 10.4125 10.4910 10.4910 13.6346 13.6346 13.7756 13.7756 k = 0.5000 0.3269-0.0000 ( 4116 PWs) bands (ev): -6.4692 -6.4692 -6.4680 -6.4680 -3.9334 -3.9334 -3.9306 -3.9306 2.6277 2.6277 2.6887 2.6887 3.0143 3.0143 3.0185 3.0185 3.4053 3.4053 3.4885 3.4885 4.1261 4.1261 4.2488 4.2488 4.5271 4.5271 4.5380 4.5380 5.3356 5.3356 5.4601 5.4601 5.5402 5.5402 5.6013 5.6013 5.6897 5.6897 5.7137 5.7137 6.6697 6.6697 6.6989 6.6989 8.9278 8.9278 8.9939 8.9939 10.3713 10.3713 10.4555 10.4555 13.6434 13.6434 13.7807 13.7807 k = 0.5000 0.3386-0.0000 ( 4120 PWs) bands (ev): -6.4656 -6.4656 -6.4644 -6.4644 -3.9402 -3.9402 -3.9373 -3.9373 2.6657 2.6657 2.7304 2.7304 2.9793 2.9793 2.9824 2.9824 3.4177 3.4177 3.5081 3.5081 4.0846 4.0846 4.2240 4.2240 4.5219 4.5219 4.5289 4.5289 5.3353 5.3353 5.4600 5.4600 5.5407 5.5407 5.6016 5.6016 5.6898 5.6898 5.7141 5.7141 6.6696 6.6696 6.6983 6.6983 9.0007 9.0007 9.0725 9.0725 10.3303 10.3303 10.4206 10.4206 13.6502 13.6502 13.7845 13.7845 k = 0.5000 0.3503-0.0000 ( 4116 PWs) bands (ev): -6.4630 -6.4630 -6.4617 -6.4617 -3.9450 -3.9450 -3.9421 -3.9421 2.7005 2.7005 2.7719 2.7719 2.9419 2.9419 2.9484 2.9484 3.4284 3.4284 3.5263 3.5263 4.0508 4.0508 4.2040 4.2040 4.5187 4.5187 4.5233 4.5233 5.3351 5.3351 5.4599 5.4599 5.5412 5.5412 5.6018 5.6018 5.6898 5.6898 5.7145 5.7145 6.6696 6.6696 6.6979 6.6979 9.0575 9.0575 9.1348 9.1348 10.2947 10.2947 10.3907 10.3907 13.6553 13.6553 13.7876 13.7876 k = 0.5000 0.3620-0.0000 ( 4108 PWs) bands (ev): -6.4614 -6.4614 -6.4601 -6.4601 -3.9480 -3.9480 -3.9451 -3.9451 2.7275 2.7275 2.8121 2.8121 2.9038 2.9038 2.9217 2.9217 3.4356 3.4356 3.5394 3.5394 4.0284 4.0284 4.1910 4.1910 4.5171 4.5171 4.5203 4.5203 5.3350 5.3350 5.4599 5.4599 5.5415 5.5415 5.6020 5.6020 5.6899 5.6899 5.7147 5.7147 6.6697 6.6697 6.6977 6.6977 9.0938 9.0938 9.1752 9.1752 10.2702 10.2702 10.3704 10.3704 13.6586 13.6586 13.7897 13.7897 k = 0.5000 0.3736-0.0000 ( 4108 PWs) bands (ev): -6.4609 -6.4609 -6.4596 -6.4596 -3.9489 -3.9489 -3.9460 -3.9460 2.7385 2.7385 2.8391 2.8391 2.8775 2.8775 2.9108 2.9108 3.4381 3.4381 3.5442 3.5442 4.0205 4.0205 4.1865 4.1865 4.5165 4.5165 4.5193 4.5193 5.3350 5.3350 5.4599 5.4599 5.5416 5.5416 5.6020 5.6020 5.6899 5.6899 5.7147 5.7147 6.6697 6.6697 6.6977 6.6977 9.1064 9.1064 9.1893 9.1893 10.2614 10.2614 10.3632 10.3632 13.6597 13.6597 13.7904 13.7904 k = 0.5000 0.3736-0.0000 ( 4108 PWs) bands (ev): -6.4609 -6.4609 -6.4596 -6.4596 -3.9489 -3.9489 -3.9460 -3.9460 2.7385 2.7385 2.8391 2.8391 2.8775 2.8775 2.9108 2.9108 3.4381 3.4381 3.5442 3.5442 4.0205 4.0205 4.1865 4.1865 4.5165 4.5165 4.5193 4.5193 5.3350 5.3350 5.4599 5.4599 5.5416 5.5416 5.6020 5.6020 5.6899 5.6899 5.7147 5.7147 6.6697 6.6697 6.6977 6.6977 9.1064 9.1064 9.1893 9.1893 10.2614 10.2614 10.3632 10.3632 13.6597 13.6597 13.7904 13.7904 k = 0.4881 0.3736-0.0000 ( 4108 PWs) bands (ev): -6.4614 -6.4614 -6.4602 -6.4602 -3.9495 -3.9495 -3.9466 -3.9466 2.7324 2.7324 2.8283 2.8283 2.8835 2.8835 2.9209 2.9209 3.4386 3.4386 3.5442 3.5442 4.0242 4.0242 4.1897 4.1897 4.5185 4.5185 4.5208 4.5208 5.3352 5.3352 5.4601 5.4601 5.5416 5.5416 5.6022 5.6022 5.6904 5.6904 5.7151 5.7151 6.6695 6.6695 6.6975 6.6975 9.1046 9.1046 9.1876 9.1876 10.2621 10.2621 10.3639 10.3639 13.6592 13.6592 13.7898 13.7898 k = 0.4762 0.3736-0.0000 ( 4096 PWs) bands (ev): -6.4631 -6.4631 -6.4618 -6.4618 -3.9512 -3.9512 -3.9484 -3.9484 2.7164 2.7164 2.8047 2.8047 2.8994 2.8994 2.9425 2.9425 3.4402 3.4402 3.5443 3.5443 4.0349 4.0349 4.1987 4.1987 4.5245 4.5245 4.5253 4.5253 5.3358 5.3358 5.4610 5.4610 5.5416 5.5416 5.6026 5.6026 5.6919 5.6919 5.7164 5.7164 6.6690 6.6690 6.6969 6.6969 9.0995 9.0995 9.1826 9.1826 10.2643 10.2643 10.3661 10.3661 13.6576 13.6576 13.7879 13.7879 k = 0.4643 0.3736-0.0000 ( 4100 PWs) bands (ev): -6.4658 -6.4658 -6.4646 -6.4646 -3.9541 -3.9541 -3.9512 -3.9512 2.6941 2.6941 2.7759 2.7759 2.9215 2.9215 2.9680 2.9680 3.4435 3.4435 3.5451 3.5451 4.0520 4.0520 4.2129 4.2129 4.5329 4.5329 4.5347 4.5347 5.3368 5.3368 5.4622 5.4622 5.5416 5.5416 5.6032 5.6032 5.6943 5.6943 5.7183 5.7183 6.6681 6.6681 6.6960 6.6960 9.0910 9.0910 9.1744 9.1744 10.2677 10.2677 10.3695 10.3695 13.6551 13.6551 13.7850 13.7850 k = 0.4524 0.3736-0.0000 ( 4098 PWs) bands (ev): -6.4696 -6.4696 -6.4684 -6.4684 -3.9581 -3.9581 -3.9552 -3.9552 2.6679 2.6679 2.7441 2.7441 2.9473 2.9473 2.9951 2.9951 3.4493 3.4493 3.5474 3.5474 4.0743 4.0743 4.2310 4.2310 4.5437 4.5437 4.5495 4.5495 5.3382 5.3382 5.4640 5.4640 5.5417 5.5417 5.6041 5.6041 5.6978 5.6978 5.7213 5.7213 6.6668 6.6668 6.6947 6.6947 9.0794 9.0794 9.1632 9.1632 10.2722 10.2722 10.3740 10.3740 13.6518 13.6518 13.7810 13.7810 k = 0.4405 0.3736-0.0000 ( 4102 PWs) bands (ev): -6.4745 -6.4745 -6.4733 -6.4733 -3.9631 -3.9631 -3.9603 -3.9603 2.6388 2.6388 2.7099 2.7099 2.9754 2.9754 3.0233 3.0233 3.4585 3.4585 3.5522 3.5522 4.1006 4.1006 4.2517 4.2517 4.5581 4.5581 4.5691 4.5691 5.3401 5.3401 5.4662 5.4662 5.5417 5.5417 5.6051 5.6051 5.7024 5.7024 5.7251 5.7251 6.6653 6.6653 6.6931 6.6931 9.0651 9.0651 9.1493 9.1493 10.2776 10.2776 10.3793 10.3793 13.6479 13.6479 13.7764 13.7764 k = 0.4286 0.3736-0.0000 ( 4102 PWs) bands (ev): -6.4804 -6.4804 -6.4792 -6.4792 -3.9692 -3.9692 -3.9664 -3.9664 2.6075 2.6075 2.6735 2.6735 3.0055 3.0055 3.0525 3.0525 3.4717 3.4717 3.5604 3.5604 4.1296 4.1296 4.2735 4.2735 4.5761 4.5761 4.5939 4.5939 5.3423 5.3423 5.4687 5.4687 5.5418 5.5418 5.6063 5.6063 5.7083 5.7083 5.7303 5.7303 6.6634 6.6634 6.6912 6.6912 9.0482 9.0482 9.1330 9.1330 10.2835 10.2835 10.3851 10.3851 13.6435 13.6435 13.7712 13.7712 k = 0.4167 0.3736-0.0000 ( 4104 PWs) bands (ev): -6.4872 -6.4872 -6.4861 -6.4861 -3.9764 -3.9764 -3.9736 -3.9736 2.5740 2.5740 2.6350 2.6350 3.0370 3.0370 3.0826 3.0826 3.4894 3.4894 3.5727 3.5727 4.1600 4.1600 4.2953 4.2953 4.5980 4.5980 4.6240 4.6240 5.3450 5.3450 5.4715 5.4715 5.5418 5.5418 5.6075 5.6075 5.7158 5.7158 5.7368 5.7368 6.6613 6.6613 6.6891 6.6891 9.0292 9.0292 9.1146 9.1146 10.2896 10.2896 10.3911 10.3911 13.6390 13.6390 13.7657 13.7657 k = 0.4048 0.3736-0.0000 ( 4108 PWs) bands (ev): -6.4950 -6.4950 -6.4939 -6.4939 -3.9844 -3.9844 -3.9817 -3.9817 2.5387 2.5387 2.5948 2.5948 3.0699 3.0699 3.1139 3.1139 3.5120 3.5120 3.5895 3.5895 4.1907 4.1907 4.3164 4.3164 4.6241 4.6241 4.6591 4.6591 5.3481 5.3481 5.4745 5.4745 5.5419 5.5419 5.6089 5.6089 5.7248 5.7248 5.7450 5.7450 6.6589 6.6589 6.6868 6.6868 9.0085 9.0085 9.0946 9.0946 10.2956 10.2956 10.3969 10.3969 13.6345 13.6345 13.7602 13.7602 k = 0.3929 0.3736-0.0000 ( 4110 PWs) bands (ev): -6.5036 -6.5036 -6.5025 -6.5025 -3.9934 -3.9934 -3.9907 -3.9907 2.5017 2.5017 2.5529 2.5529 3.1040 3.1040 3.1462 3.1462 3.5394 3.5394 3.6113 3.6113 4.2208 4.2208 4.3363 4.3363 4.6542 4.6542 4.6987 4.6987 5.3517 5.3517 5.4776 5.4776 5.5420 5.5420 5.6103 5.6103 5.7357 5.7357 5.7550 5.7550 6.6564 6.6564 6.6844 6.6844 8.9863 8.9863 9.0732 9.0732 10.3011 10.3011 10.4023 10.4023 13.6302 13.6302 13.7550 13.7550 k = 0.3810 0.3736-0.0000 ( 4106 PWs) bands (ev): -6.5131 -6.5131 -6.5120 -6.5120 -4.0033 -4.0033 -4.0006 -4.0006 2.4633 2.4633 2.5099 2.5099 3.1393 3.1393 3.1798 3.1798 3.5716 3.5716 3.6380 3.6380 4.2497 4.2497 4.3549 4.3549 4.6884 4.6884 4.7420 4.7420 5.3558 5.3558 5.4808 5.4808 5.5422 5.5422 5.6118 5.6118 5.7487 5.7487 5.7672 5.7672 6.6538 6.6538 6.6819 6.6819 8.9631 8.9631 9.0509 9.0509 10.3059 10.3059 10.4069 10.4069 13.6264 13.6264 13.7502 13.7502 k = 0.3690 0.3736-0.0000 ( 4104 PWs) bands (ev): -6.5232 -6.5232 -6.5221 -6.5221 -4.0139 -4.0139 -4.0113 -4.0113 2.4236 2.4236 2.4658 2.4658 3.1757 3.1757 3.2146 3.2146 3.6082 3.6082 3.6697 3.6697 4.2770 4.2770 4.3723 4.3723 4.7263 4.7263 4.7880 4.7880 5.3605 5.3605 5.4840 5.4840 5.5426 5.5426 5.6135 5.6135 5.7638 5.7638 5.7818 5.7818 6.6512 6.6512 6.6796 6.6796 8.9392 8.9392 9.0279 9.0279 10.3096 10.3096 10.4104 10.4104 13.6231 13.6231 13.7459 13.7459 k = 0.3571 0.3736-0.0000 ( 4104 PWs) bands (ev): -6.5341 -6.5341 -6.5330 -6.5330 -4.0252 -4.0252 -4.0226 -4.0226 2.3830 2.3830 2.4212 2.4212 3.2131 3.2131 3.2506 3.2506 3.6490 3.6490 3.7061 3.7061 4.3026 4.3026 4.3886 4.3886 4.7672 4.7672 4.8357 4.8357 5.3657 5.3657 5.4872 5.4872 5.5432 5.5432 5.6153 5.6153 5.7813 5.7813 5.7992 5.7992 6.6488 6.6488 6.6776 6.6776 8.9148 8.9148 9.0045 9.0045 10.3120 10.3120 10.4125 10.4125 13.6204 13.6204 13.7422 13.7422 k = 0.3452 0.3736-0.0000 ( 4104 PWs) bands (ev): -6.5455 -6.5455 -6.5445 -6.5445 -4.0372 -4.0372 -4.0347 -4.0347 2.3417 2.3417 2.3761 2.3761 3.2516 3.2516 3.2879 3.2879 3.6936 3.6936 3.7469 3.7469 4.3266 4.3266 4.4042 4.4042 4.8106 4.8106 4.8839 4.8839 5.3715 5.3715 5.4904 5.4904 5.5440 5.5440 5.6173 5.6173 5.8013 5.8013 5.8196 5.8196 6.6466 6.6466 6.6759 6.6759 8.8902 8.8902 8.9810 8.9810 10.3128 10.3128 10.4131 10.4131 13.6182 13.6182 13.7391 13.7391 k = 0.3333 0.3736-0.0000 ( 4104 PWs) bands (ev): -6.5575 -6.5575 -6.5565 -6.5565 -4.0497 -4.0497 -4.0472 -4.0472 2.3000 2.3000 2.3310 2.3310 3.2909 3.2909 3.3264 3.3264 3.7415 3.7415 3.7917 3.7917 4.3492 4.3492 4.4191 4.4191 4.8554 4.8554 4.9316 4.9316 5.3782 5.3782 5.4936 5.4936 5.5453 5.5453 5.6196 5.6196 5.8240 5.8240 5.8435 5.8435 6.6450 6.6450 6.6750 6.6750 8.8656 8.8656 8.9576 8.9576 10.3119 10.3119 10.4119 10.4119 13.6163 13.6163 13.7362 13.7362 k = 0.3214 0.3736-0.0000 ( 4108 PWs) bands (ev): -6.5699 -6.5699 -6.5689 -6.5689 -4.0627 -4.0627 -4.0603 -4.0603 2.2582 2.2582 2.2860 2.2860 3.3311 3.3311 3.3658 3.3658 3.7923 3.7923 3.8401 3.8401 4.3707 4.3707 4.4336 4.4336 4.9009 4.9009 4.9776 4.9776 5.3857 5.3857 5.4968 5.4968 5.5471 5.5471 5.6223 5.6223 5.8495 5.8495 5.8710 5.8710 6.6442 6.6442 6.6750 6.6750 8.8412 8.8412 8.9344 8.9344 10.3091 10.3091 10.4087 10.4087 13.6143 13.6143 13.7331 13.7331 k = 0.3095 0.3736-0.0000 ( 4112 PWs) bands (ev): -6.5826 -6.5826 -6.5817 -6.5817 -4.0761 -4.0761 -4.0738 -4.0738 2.2164 2.2164 2.2414 2.2414 3.3720 3.3720 3.4062 3.4062 3.8455 3.8455 3.8915 3.8915 4.3914 4.3914 4.4479 4.4479 4.9459 4.9459 5.0209 5.0209 5.3943 5.3943 5.5002 5.5002 5.5495 5.5495 5.6255 5.6255 5.8780 5.8780 5.9026 5.9026 6.6446 6.6446 6.6764 6.6764 8.8171 8.8171 8.9116 8.9116 10.3042 10.3042 10.4033 10.4033 13.6115 13.6115 13.7289 13.7289 k = 0.2976 0.3736-0.0000 ( 4112 PWs) bands (ev): -6.5957 -6.5957 -6.5948 -6.5948 -4.0898 -4.0898 -4.0876 -4.0876 2.1749 2.1749 2.1974 2.1974 3.4135 3.4135 3.4473 3.4473 3.9004 3.9004 3.9454 3.9454 4.4117 4.4117 4.4622 4.4622 4.9895 4.9895 5.0605 5.0605 5.4039 5.4039 5.5038 5.5038 5.5526 5.5526 5.6293 5.6293 5.9095 5.9095 5.9383 5.9383 6.6467 6.6467 6.6796 6.6796 8.7934 8.7934 8.8892 8.8892 10.2970 10.2970 10.3958 10.3958 13.6067 13.6067 13.7225 13.7225 k = 0.2857 0.3736-0.0000 ( 4112 PWs) bands (ev): -6.6090 -6.6090 -6.6081 -6.6081 -4.1038 -4.1038 -4.1016 -4.1016 2.1339 2.1339 2.1542 2.1542 3.4555 3.4555 3.4889 3.4889 3.9564 3.9564 4.0009 4.0009 4.4322 4.4322 4.4768 4.4768 5.0308 5.0308 5.0958 5.0958 5.4149 5.4149 5.5079 5.5079 5.5566 5.5566 5.6338 5.6338 5.9439 5.9439 5.9780 5.9780 6.6512 6.6512 6.6851 6.6851 8.7703 8.7703 8.8674 8.8674 10.2875 10.2875 10.3858 10.3858 13.5986 13.5986 13.7118 13.7118 k = 0.2738 0.3736-0.0000 ( 4116 PWs) bands (ev): -6.6224 -6.6224 -6.6216 -6.6216 -4.1179 -4.1179 -4.1158 -4.1158 2.0936 2.0936 2.1119 2.1119 3.4977 3.4977 3.5309 3.5309 4.0125 4.0125 4.0574 4.0574 4.4535 4.4535 4.4920 4.4920 5.0688 5.0688 5.1261 5.1261 5.4270 5.4270 5.5123 5.5123 5.5617 5.5617 5.6391 5.6391 5.9813 5.9813 6.0213 6.0213 6.6587 6.6587 6.6936 6.6936 8.7476 8.7476 8.8461 8.8461 10.2756 10.2756 10.3734 10.3734 13.5849 13.5849 13.6946 13.6946 k = 0.2619 0.3736-0.0000 ( 4112 PWs) bands (ev): -6.6359 -6.6359 -6.6351 -6.6351 -4.1321 -4.1321 -4.1301 -4.1301 2.0542 2.0542 2.0706 2.0706 3.5402 3.5402 3.5731 3.5731 4.0679 4.0679 4.1138 4.1138 4.4761 4.4761 4.5084 4.5084 5.1030 5.1030 5.1515 5.1515 5.4401 5.4401 5.5171 5.5171 5.5680 5.5680 5.6452 5.6452 6.0212 6.0212 6.0676 6.0676 6.6703 6.6703 6.7058 6.7058 8.7254 8.7254 8.8253 8.8253 10.2612 10.2612 10.3584 10.3584 13.5632 13.5632 13.6679 13.6679 k = 0.2500 0.3736-0.0000 ( 4104 PWs) bands (ev): -6.6493 -6.6493 -6.6485 -6.6485 -4.1463 -4.1463 -4.1444 -4.1444 2.0157 2.0157 2.0305 2.0305 3.5826 3.5826 3.6152 3.6152 4.1212 4.1212 4.1688 4.1688 4.5011 4.5011 4.5266 4.5266 5.1328 5.1328 5.1721 5.1721 5.4539 5.4539 5.5221 5.5221 5.5757 5.5757 5.6520 5.6520 6.0635 6.0635 6.1159 6.1159 6.6873 6.6873 6.7225 6.7225 8.7036 8.7036 8.8050 8.8050 10.2441 10.2441 10.3407 10.3407 13.5311 13.5311 13.6291 13.6291 k = 0.2381 0.3736-0.0000 ( 4104 PWs) bands (ev): -6.6627 -6.6627 -6.6619 -6.6619 -4.1604 -4.1604 -4.1585 -4.1585 1.9784 1.9784 1.9917 1.9917 3.6249 3.6249 3.6572 3.6572 4.1710 4.1710 4.2209 4.2209 4.5292 4.5292 4.5476 4.5476 5.1582 5.1582 5.1884 5.1884 5.4680 5.4680 5.5270 5.5270 5.5849 5.5849 5.6597 5.6597 6.1073 6.1073 6.1647 6.1647 6.7110 6.7110 6.7448 6.7448 8.6821 8.6821 8.7849 8.7849 10.2244 10.2244 10.3204 10.3204 13.4863 13.4863 13.5766 13.5766 k = 0.2262 0.3736-0.0000 ( 4116 PWs) bands (ev): -6.6758 -6.6758 -6.6752 -6.6752 -4.1744 -4.1744 -4.1726 -4.1726 1.9423 1.9423 1.9543 1.9543 3.6668 3.6668 3.6988 3.6988 4.2159 4.2159 4.2684 4.2684 4.5612 4.5612 4.5723 4.5723 5.1792 5.1792 5.2011 5.2011 5.4819 5.4819 5.5317 5.5317 5.5952 5.5952 5.6681 5.6681 6.1521 6.1521 6.2127 6.2127 6.7429 6.7429 6.7734 6.7734 8.6607 8.6607 8.7650 8.7650 10.2019 10.2019 10.2972 10.2972 13.4281 13.4281 13.5104 13.5104 k = 0.2143 0.3736-0.0000 ( 4122 PWs) bands (ev): -6.6888 -6.6888 -6.6881 -6.6881 -4.1881 -4.1881 -4.1864 -4.1864 1.9076 1.9076 1.9184 1.9184 3.7084 3.7084 3.7399 3.7399 4.2550 4.2550 4.3096 4.3096 4.5976 4.5976 4.6016 4.6016 5.1964 5.1964 5.2110 5.2110 5.4953 5.4953 5.5362 5.5362 5.6065 5.6065 5.6771 5.6771 6.1973 6.1973 6.2586 6.2586 6.7841 6.7841 6.8093 6.8093 8.6395 8.6395 8.7451 8.7451 10.1767 10.1767 10.2712 10.2712 13.3572 13.3572 13.4319 13.4319 k = 0.2024 0.3736-0.0000 ( 4120 PWs) bands (ev): -6.7014 -6.7014 -6.7008 -6.7008 -4.2014 -4.2014 -4.1998 -4.1998 1.8744 1.8744 1.8841 1.8841 3.7494 3.7494 3.7804 3.7804 4.2876 4.2876 4.3437 4.3437 4.6358 4.6358 4.6381 4.6381 5.2106 5.2106 5.2190 5.2190 5.5080 5.5080 5.5403 5.5403 5.6182 5.6182 5.6864 5.6864 6.2425 6.2425 6.3018 6.3018 6.8353 6.8353 6.8529 6.8529 8.6180 8.6180 8.7249 8.7249 10.1486 10.1486 10.2422 10.2422 13.2751 13.2751 13.3433 13.3433 k = 0.1905 0.3736-0.0000 ( 4120 PWs) bands (ev): -6.7137 -6.7137 -6.7131 -6.7131 -4.2144 -4.2144 -4.2129 -4.2129 1.8427 1.8427 1.8514 1.8514 3.7897 3.7897 3.8202 3.8202 4.3142 4.3142 4.3704 4.3704 4.6741 4.6741 4.6815 4.6815 5.2225 5.2225 5.2256 5.2256 5.5197 5.5197 5.5441 5.5441 5.6297 5.6297 5.6958 5.6958 6.2874 6.2874 6.3426 6.3426 6.8961 6.8961 6.9043 6.9043 8.5962 8.5962 8.7044 8.7044 10.1177 10.1177 10.2103 10.2103 13.1844 13.1844 13.2472 13.2472 k = 0.1786 0.3736-0.0000 ( 4120 PWs) bands (ev): -6.7256 -6.7256 -6.7250 -6.7250 -4.2270 -4.2270 -4.2256 -4.2256 1.8126 1.8126 1.8204 1.8204 3.8292 3.8292 3.8592 3.8592 4.3353 4.3353 4.3907 4.3907 4.7146 4.7146 4.7262 4.7262 5.2317 5.2317 5.2331 5.2331 5.5304 5.5304 5.5477 5.5477 5.6405 5.6405 5.7051 5.7051 6.3321 6.3321 6.3816 6.3816 6.9634 6.9634 6.9657 6.9657 8.5739 8.5739 8.6833 8.6833 10.0840 10.0840 10.1754 10.1754 13.0875 13.0875 13.1458 13.1458 k = 0.1667 0.3736-0.0000 ( 4132 PWs) bands (ev): -6.7369 -6.7369 -6.7364 -6.7364 -4.2390 -4.2390 -4.2377 -4.2377 1.7841 1.7841 1.7912 1.7912 3.8679 3.8679 3.8971 3.8971 4.3519 4.3519 4.4057 4.4057 4.7553 4.7553 4.7701 4.7701 5.2379 5.2379 5.2433 5.2433 5.5400 5.5400 5.5510 5.5510 5.6503 5.6503 5.7137 5.7137 6.3771 6.3771 6.4201 6.4201 7.0293 7.0293 7.0427 7.0427 8.5507 8.5507 8.6613 8.6613 10.0475 10.0475 10.1375 10.1375 12.9869 12.9869 13.0414 13.0414 k = 0.1548 0.3736-0.0000 ( 4124 PWs) bands (ev): -6.7477 -6.7477 -6.7473 -6.7473 -4.2505 -4.2505 -4.2493 -4.2493 1.7575 1.7575 1.7638 1.7638 3.9055 3.9055 3.9341 3.9341 4.3648 4.3648 4.4165 4.4165 4.7943 4.7943 4.8115 4.8115 5.2448 5.2448 5.2541 5.2541 5.5487 5.5487 5.5542 5.5542 5.6588 5.6588 5.7215 5.7215 6.4229 6.4229 6.4595 6.4595 7.1011 7.1011 7.1254 7.1254 8.5267 8.5267 8.6382 8.6382 10.0084 10.0084 10.0967 10.0967 12.8846 12.8846 12.9359 12.9359 k = 0.1429 0.3736-0.0000 ( 4126 PWs) bands (ev): -6.7580 -6.7580 -6.7575 -6.7575 -4.2614 -4.2614 -4.2602 -4.2602 1.7326 1.7326 1.7382 1.7382 3.9421 3.9421 3.9700 3.9700 4.3746 4.3746 4.4240 4.4240 4.8299 4.8299 4.8486 4.8486 5.2530 5.2530 5.2661 5.2661 5.5563 5.5563 5.5570 5.5570 5.6660 5.6660 5.7280 5.7280 6.4700 6.4700 6.5008 6.5008 7.1776 7.1776 7.2123 7.2123 8.5016 8.5016 8.6138 8.6138 9.9669 9.9669 10.0531 10.0531 12.7828 12.7828 12.8312 12.8312 k = 0.1310 0.3736-0.0000 ( 4134 PWs) bands (ev): -6.7675 -6.7675 -6.7671 -6.7671 -4.2715 -4.2715 -4.2705 -4.2705 1.7095 1.7095 1.7145 1.7145 3.9774 3.9774 4.0045 4.0045 4.3820 4.3820 4.4288 4.4288 4.8609 4.8609 4.8803 4.8803 5.2628 5.2628 5.2799 5.2799 5.5597 5.5597 5.5630 5.5630 5.6718 5.6718 5.7331 5.7331 6.5188 6.5188 6.5445 6.5445 7.2574 7.2574 7.3017 7.3017 8.4753 8.4753 8.5881 8.5881 9.9232 9.9232 10.0069 10.0069 12.6832 12.6832 12.7288 12.7288 k = 0.1190 0.3736-0.0000 ( 4138 PWs) bands (ev): -6.7764 -6.7764 -6.7761 -6.7761 -4.2810 -4.2810 -4.2800 -4.2800 1.6884 1.6884 1.6928 1.6928 4.0113 4.0113 4.0376 4.0376 4.3873 4.3873 4.4315 4.4315 4.8867 4.8867 4.9060 4.9060 5.2743 5.2743 5.2954 5.2954 5.5621 5.5621 5.5688 5.5688 5.6763 5.6763 5.7366 5.7366 6.5694 6.5694 6.5910 6.5910 7.3392 7.3392 7.3924 7.3924 8.4477 8.4477 8.5608 8.5608 9.8777 9.8777 9.9585 9.9585 12.5874 12.5874 12.6301 12.6301 k = 0.1071 0.3736-0.0000 ( 4132 PWs) bands (ev): -6.7846 -6.7846 -6.7843 -6.7843 -4.2897 -4.2897 -4.2888 -4.2888 1.6692 1.6692 1.6730 1.6730 4.0438 4.0438 4.0692 4.0692 4.3909 4.3909 4.4324 4.4324 4.9073 4.9073 4.9257 4.9257 5.2875 5.2875 5.3125 5.3125 5.5645 5.5645 5.5738 5.5738 5.6799 5.6799 5.7386 5.7386 6.6216 6.6216 6.6399 6.6399 7.4216 7.4216 7.4828 7.4828 8.4191 8.4191 8.5321 8.5321 9.8311 9.8311 9.9083 9.9083 12.4968 12.4968 12.5366 12.5366 k = 0.0952 0.3736-0.0000 ( 4132 PWs) bands (ev): -6.7920 -6.7920 -6.7917 -6.7917 -4.2975 -4.2975 -4.2967 -4.2967 1.6519 1.6519 1.6553 1.6553 4.0746 4.0746 4.0989 4.0989 4.3930 4.3930 4.4317 4.4317 4.9229 4.9229 4.9399 4.9399 5.3020 5.3020 5.3302 5.3302 5.5666 5.5666 5.5779 5.5779 5.6827 5.6827 5.7389 5.7389 6.6747 6.6747 6.6906 6.6906 7.5033 7.5033 7.5714 7.5714 8.3896 8.3896 8.5020 8.5020 9.7842 9.7842 9.8570 9.8570 12.4127 12.4127 12.4494 12.4494 k = 0.0833 0.3736-0.0000 ( 4132 PWs) bands (ev): -6.7986 -6.7986 -6.7983 -6.7983 -4.3045 -4.3045 -4.3038 -4.3038 1.6366 1.6366 1.6395 1.6395 4.1035 4.1035 4.1267 4.1267 4.3937 4.3937 4.4295 4.4295 4.9343 4.9343 4.9494 4.9494 5.3171 5.3171 5.3475 5.3475 5.5688 5.5688 5.5812 5.5812 5.6850 5.6850 5.7379 5.7379 6.7279 6.7279 6.7419 6.7419 7.5829 7.5829 7.6567 7.6567 8.3597 8.3597 8.4707 8.4707 9.7379 9.7379 9.8055 9.8055 12.3363 12.3363 12.3695 12.3695 k = 0.0714 0.3736-0.0000 ( 4132 PWs) bands (ev): -6.8044 -6.8044 -6.8042 -6.8042 -4.3107 -4.3107 -4.3101 -4.3101 1.6233 1.6233 1.6258 1.6258 4.1303 4.1303 4.1521 4.1521 4.3935 4.3935 4.4261 4.4261 4.9422 4.9422 4.9553 4.9553 5.3323 5.3323 5.3634 5.3634 5.5708 5.5708 5.5837 5.5837 5.6871 5.6871 5.7355 5.7355 6.7800 6.7800 6.7924 6.7924 7.6588 7.6588 7.7367 7.7367 8.3302 8.3302 8.4388 8.4388 9.6934 9.6934 9.7548 9.7548 12.2685 12.2685 12.2979 12.2979 k = 0.0595 0.3736-0.0000 ( 4136 PWs) bands (ev): -6.8093 -6.8093 -6.8091 -6.8091 -4.3159 -4.3159 -4.3154 -4.3154 1.6121 1.6121 1.6141 1.6141 4.1547 4.1547 4.1749 4.1749 4.3925 4.3925 4.4216 4.4216 4.9475 4.9475 4.9584 4.9584 5.3470 5.3470 5.3770 5.3770 5.5729 5.5729 5.5855 5.5855 5.6893 5.6893 5.7321 5.7321 6.8293 6.8293 6.8401 6.8401 7.7295 7.7295 7.8093 7.8093 8.3025 8.3025 8.4067 8.4067 9.6522 9.6522 9.7063 9.7063 12.2102 12.2102 12.2354 12.2354 k = 0.0476 0.3736-0.0000 ( 4140 PWs) bands (ev): -6.8134 -6.8134 -6.8132 -6.8132 -4.3202 -4.3202 -4.3198 -4.3198 1.6029 1.6029 1.6045 1.6045 4.1765 4.1765 4.1943 4.1943 4.3912 4.3912 4.4162 4.4162 4.9510 4.9510 4.9597 4.9597 5.3607 5.3607 5.3877 5.3877 5.5750 5.5750 5.5864 5.5864 5.6919 5.6919 5.7278 5.7278 6.8739 6.8739 6.8832 6.8832 7.7937 7.7937 7.8717 7.8717 8.2783 8.2783 8.3750 8.3750 9.6161 9.6161 9.6616 9.6616 12.1621 12.1621 12.1827 12.1827 k = 0.0357 0.3736-0.0000 ( 4140 PWs) bands (ev): -6.8165 -6.8165 -6.8164 -6.8164 -4.3236 -4.3236 -4.3233 -4.3233 1.5958 1.5958 1.5970 1.5970 4.1952 4.1952 4.2099 4.2099 4.3901 4.3901 4.4102 4.4102 4.9533 4.9533 4.9598 4.9598 5.3729 5.3729 5.3951 5.3951 5.5773 5.5773 5.5867 5.5867 5.6949 5.6949 5.7230 5.7230 6.9120 6.9120 6.9194 6.9194 7.8499 7.8499 7.9205 7.9205 8.2604 8.2604 8.3446 8.3446 9.5869 9.5869 9.6225 9.6225 12.1247 12.1247 12.1405 12.1405 k = 0.0238 0.3736-0.0000 ( 4144 PWs) bands (ev): -6.8188 -6.8188 -6.8187 -6.8187 -4.3260 -4.3260 -4.3258 -4.3258 1.5908 1.5908 1.5915 1.5915 4.2101 4.2101 4.2208 4.2208 4.3899 4.3899 4.4042 4.4042 4.9549 4.9549 4.9592 4.9592 5.3832 5.3832 5.3991 5.3991 5.5796 5.5796 5.5863 5.5863 5.6986 5.6986 5.7178 5.7178 6.9415 6.9415 6.9467 6.9467 7.8967 7.8967 7.9520 7.9520 8.2520 8.2520 8.3161 8.3161 9.5663 9.5663 9.5908 9.5908 12.0985 12.0985 12.1092 12.1092 k = 0.0119 0.3736-0.0000 ( 4140 PWs) bands (ev): -6.8202 -6.8202 -6.8201 -6.8201 -4.3274 -4.3274 -4.3273 -4.3273 1.5878 1.5878 1.5882 1.5882 4.2207 4.2207 4.2264 4.2264 4.3911 4.3911 4.3986 4.3986 4.9561 4.9561 4.9583 4.9583 5.3914 5.3914 5.3996 5.3996 5.5818 5.5818 5.5853 5.5853 5.7028 5.7028 5.7126 5.7126 6.9606 6.9606 6.9633 6.9633 7.9327 7.9327 7.9636 7.9636 8.2553 8.2553 8.2904 8.2904 9.5558 9.5558 9.5684 9.5684 12.0838 12.0838 12.0892 12.0892 k = 0.0000 0.3736-0.0000 ( 4136 PWs) bands (ev): -6.8206 -6.8206 -6.8206 -6.8206 -4.3278 -4.3278 -4.3278 -4.3278 1.5870 1.5870 1.5870 1.5870 4.2264 4.2264 4.2264 4.2264 4.3941 4.3941 4.3941 4.3941 4.9572 4.9572 4.9572 4.9572 5.3969 5.3969 5.3969 5.3969 5.5837 5.5837 5.5837 5.5837 5.7076 5.7076 5.7076 5.7076 6.9680 6.9680 6.9680 6.9680 7.9561 7.9561 7.9561 7.9561 8.2692 8.2692 8.2692 8.2692 9.5565 9.5565 9.5565 9.5565 12.0807 12.0807 12.0807 12.0807 k = 0.0000 0.3736-0.0000 ( 4136 PWs) bands (ev): -6.8206 -6.8206 -6.8206 -6.8206 -4.3278 -4.3278 -4.3278 -4.3278 1.5870 1.5870 1.5870 1.5870 4.2264 4.2264 4.2264 4.2264 4.3941 4.3941 4.3941 4.3941 4.9572 4.9572 4.9572 4.9572 5.3969 5.3969 5.3969 5.3969 5.5837 5.5837 5.5837 5.5837 5.7076 5.7076 5.7076 5.7076 6.9680 6.9680 6.9680 6.9680 7.9561 7.9561 7.9561 7.9561 8.2692 8.2692 8.2692 8.2692 9.5565 9.5565 9.5565 9.5565 12.0807 12.0807 12.0807 12.0807 k = 0.0000 0.3620-0.0000 ( 4138 PWs) bands (ev): -6.8577 -6.8577 -6.7842 -6.7842 -4.3310 -4.3310 -4.3228 -4.3228 1.5670 1.5670 1.6107 1.6107 4.2198 4.2198 4.2336 4.2336 4.3548 4.3548 4.4198 4.4198 4.9091 4.9091 5.0125 5.0125 5.3895 5.3895 5.4042 5.4042 5.5759 5.5759 5.5919 5.5919 5.6988 5.6988 5.7155 5.7155 6.8815 6.8815 7.0558 7.0558 7.8967 7.8967 8.0147 8.0147 8.2116 8.2116 8.3242 8.3242 9.5222 9.5222 9.5915 9.5915 12.0397 12.0397 12.1276 12.1276 k = 0.0000 0.3503-0.0000 ( 4142 PWs) bands (ev): -6.8953 -6.8953 -6.7486 -6.7486 -4.3321 -4.3321 -4.3160 -4.3160 1.5509 1.5509 1.6381 1.6381 4.2143 4.2143 4.2401 4.2401 4.3017 4.3017 4.4347 4.4347 4.8709 4.8709 5.0709 5.0709 5.3818 5.3818 5.4112 5.4112 5.5683 5.5683 5.6004 5.6004 5.6890 5.6890 5.7229 5.7229 6.7963 6.7963 7.1445 7.1445 7.8367 7.8367 8.0726 8.0726 8.1515 8.1515 8.3768 8.3768 9.4891 9.4891 9.6267 9.6267 12.0059 12.0059 12.1789 12.1789 k = 0.0000 0.3386-0.0000 ( 4134 PWs) bands (ev): -6.9332 -6.9332 -6.7140 -6.7140 -4.3310 -4.3310 -4.3078 -4.3078 1.5389 1.5389 1.6690 1.6690 4.2098 4.2098 4.2181 4.2181 4.2628 4.2628 4.4416 4.4416 4.8436 4.8436 5.1288 5.1288 5.3739 5.3739 5.4180 5.4180 5.5609 5.5609 5.6093 5.6093 5.6781 5.6781 5.7297 5.7297 6.7128 6.7128 7.2341 7.2341 7.7764 7.7764 8.0889 8.0889 8.1297 8.1297 8.4275 8.4275 9.4578 9.4578 9.6616 9.6616 11.9803 11.9803 12.2327 12.2327 k = 0.0000 0.3269-0.0000 ( 4134 PWs) bands (ev): -6.9712 -6.9712 -6.6807 -6.6807 -4.3274 -4.3274 -4.2983 -4.2983 1.5309 1.5309 1.7033 1.7033 4.1376 4.1376 4.2072 4.2072 4.2688 4.2688 4.4428 4.4428 4.8261 4.8261 5.1830 5.1830 5.3658 5.3658 5.4244 5.4244 5.5536 5.5536 5.6184 5.6184 5.6658 5.6658 5.7360 5.7360 6.6308 6.6308 7.3239 7.3239 7.7161 7.7161 8.0242 8.0242 8.1857 8.1857 8.4766 8.4766 9.4288 9.4288 9.6960 9.6960 11.9636 11.9636 12.2871 12.2871 k = 0.0000 0.3152-0.0000 ( 4130 PWs) bands (ev): -7.0091 -7.0091 -6.6487 -6.6487 -4.3213 -4.3213 -4.2878 -4.2878 1.5272 1.5272 1.7408 1.7408 4.0423 4.0423 4.2053 4.2053 4.2801 4.2801 4.4399 4.4399 4.8163 4.8163 5.2316 5.2316 5.3573 5.3573 5.4306 5.4306 5.5462 5.5462 5.6275 5.6275 5.6519 5.6519 5.7418 5.7418 6.5506 6.5506 7.4127 7.4127 7.6570 7.6570 7.9576 7.9576 8.2407 8.2407 8.5250 8.5250 9.4026 9.4026 9.7295 9.7295 11.9564 11.9564 12.3399 12.3399 k = 0.0000 0.3036-0.0000 ( 4126 PWs) bands (ev): -7.0468 -7.0468 -6.6183 -6.6183 -4.3124 -4.3124 -4.2763 -4.2763 1.5277 1.5277 1.7814 1.7814 3.9381 3.9381 4.2047 4.2047 4.2930 4.2930 4.4341 4.4341 4.8121 4.8121 5.2731 5.2731 5.3487 5.3487 5.4363 5.4363 5.5386 5.5386 5.6326 5.6326 5.6394 5.6394 5.7471 5.7471 6.4723 6.4723 7.4936 7.4936 7.6056 7.6056 7.8901 7.8901 8.2946 8.2946 8.5734 8.5734 9.3796 9.3796 9.7618 9.7618 11.9587 11.9587 12.3890 12.3890 k = 0.0000 0.2919-0.0000 ( 4126 PWs) bands (ev): -7.0841 -7.0841 -6.5896 -6.5896 -4.3008 -4.3008 -4.2642 -4.2642 1.5326 1.5326 1.8249 1.8249 3.8278 3.8278 4.2054 4.2054 4.3070 4.3070 4.4264 4.4264 4.8118 4.8118 5.3066 5.3066 5.3399 5.3399 5.4416 5.4416 5.5304 5.5304 5.6162 5.6162 5.6454 5.6454 5.7518 5.7518 6.3960 6.3960 7.5079 7.5079 7.6183 7.6183 7.8239 7.8239 8.3474 8.3474 8.6227 8.6227 9.3602 9.3602 9.7928 9.7928 11.9706 11.9706 12.4319 12.4319 k = 0.0000 0.2802-0.0000 ( 4128 PWs) bands (ev): -7.1209 -7.1209 -6.5627 -6.5627 -4.2863 -4.2863 -4.2515 -4.2515 1.5420 1.5420 1.8710 1.8710 3.7133 3.7133 4.2073 4.2073 4.3219 4.3219 4.4173 4.4173 4.8143 4.8143 5.3258 5.3258 5.3369 5.3369 5.4460 5.4460 5.5213 5.5213 5.5958 5.5958 5.6522 5.6522 5.7560 5.7560 6.3220 6.3220 7.4564 7.4564 7.6782 7.6782 7.7755 7.7755 8.3988 8.3988 8.6737 8.6737 9.3449 9.3449 9.8223 9.8223 11.9916 11.9916 12.4666 12.4666 k = 0.0000 0.2685-0.0000 ( 4122 PWs) bands (ev): -7.1571 -7.1571 -6.5377 -6.5377 -4.2689 -4.2689 -4.2385 -4.2385 1.5558 1.5558 1.9197 1.9197 3.5961 3.5961 4.2106 4.2106 4.3377 4.3377 4.4073 4.4073 4.8185 4.8185 5.3182 5.3182 5.3515 5.3515 5.4495 5.4495 5.5108 5.5108 5.5746 5.5746 5.6575 5.6575 5.7593 5.7593 6.2505 6.2505 7.3972 7.3972 7.6536 7.6536 7.8191 7.8191 8.4488 8.4488 8.7268 8.7268 9.3341 9.3341 9.8501 9.8501 12.0214 12.0214 12.4906 12.4906 k = 0.0000 0.2569-0.0000 ( 4126 PWs) bands (ev): -7.1924 -7.1924 -6.5146 -6.5146 -4.2487 -4.2487 -4.2252 -4.2252 1.5741 1.5741 1.9707 1.9707 3.4774 3.4774 4.2151 4.2151 4.3541 4.3541 4.3968 4.3968 4.8238 4.8238 5.3074 5.3074 5.3574 5.3574 5.4516 5.4516 5.4989 5.4989 5.5550 5.5550 5.6611 5.6611 5.7616 5.7616 6.1815 6.1815 7.3368 7.3368 7.5877 7.5877 7.9053 7.9053 8.4970 8.4970 8.7822 8.7822 9.3286 9.3286 9.8762 9.8762 12.0591 12.0591 12.5023 12.5023 k = 0.0000 0.2452-0.0000 ( 4122 PWs) bands (ev): -7.2269 -7.2269 -6.4935 -6.4935 -4.2258 -4.2258 -4.2119 -4.2119 1.5970 1.5970 2.0238 2.0238 3.3582 3.3582 4.2210 4.2210 4.3701 4.3701 4.3870 4.3870 4.8299 4.8299 5.2953 5.2953 5.3477 5.3477 5.4525 5.4525 5.4887 5.4887 5.5394 5.5394 5.6631 5.6631 5.7626 5.7626 6.1156 6.1156 7.2764 7.2764 7.5168 7.5168 7.9969 7.9969 8.5433 8.5433 8.8392 8.8392 9.3295 9.3295 9.9005 9.9005 12.1039 12.1039 12.5004 12.5004 k = 0.0000 0.2335-0.0000 ( 4124 PWs) bands (ev): -7.2604 -7.2604 -6.4744 -6.4744 -4.2003 -4.2003 -4.1986 -4.1986 1.6243 1.6243 2.0786 2.0786 3.2392 3.2392 4.2282 4.2282 4.3715 4.3715 4.3921 4.3921 4.8362 4.8362 5.2806 5.2806 5.3191 5.3191 5.4539 5.4539 5.4829 5.4829 5.5277 5.5277 5.6637 5.6637 5.7621 5.7621 6.0530 6.0530 7.2164 7.2164 7.4450 7.4450 8.0897 8.0897 8.5873 8.5873 8.8958 8.8958 9.3388 9.3388 9.9229 9.9229 12.1547 12.1547 12.4853 12.4853 k = 0.0000 0.2218-0.0000 ( 4128 PWs) bands (ev): -7.2927 -7.2927 -6.4572 -6.4572 -4.1856 -4.1856 -4.1722 -4.1722 1.6562 1.6562 2.1350 2.1350 3.1214 3.1214 4.2366 4.2366 4.3611 4.3611 4.4094 4.4094 4.8425 4.8425 5.2541 5.2541 5.2826 5.2826 5.4566 5.4566 5.4807 5.4807 5.5186 5.5186 5.6631 5.6631 5.7596 5.7596 5.9945 5.9945 7.1571 7.1571 7.3735 7.3735 8.1825 8.1825 8.6290 8.6290 8.9491 8.9491 9.3594 9.3594 9.9435 9.9435 12.2100 12.2100 12.4588 12.4588 k = 0.0000 0.2102-0.0000 ( 4122 PWs) bands (ev): -7.3239 -7.3239 -6.4419 -6.4419 -4.1727 -4.1727 -4.1420 -4.1420 1.6926 1.6926 2.1925 2.1925 3.0053 3.0053 4.2462 4.2462 4.3500 4.3500 4.4281 4.4281 4.8487 4.8487 5.1976 5.1976 5.2609 5.2609 5.4599 5.4599 5.4801 5.4801 5.5113 5.5113 5.6615 5.6615 5.7543 5.7543 5.9411 5.9411 7.0989 7.0989 7.3029 7.3029 8.2749 8.2749 8.6683 8.6683 8.9953 8.9953 9.3946 9.3946 9.9622 9.9622 12.2678 12.2678 12.4241 12.4241 k = 0.0000 0.1985-0.0000 ( 4122 PWs) bands (ev): -7.3538 -7.3538 -6.4285 -6.4285 -4.1603 -4.1603 -4.1098 -4.1098 1.7335 1.7335 2.2507 2.2507 2.8919 2.8919 4.2568 4.2568 4.3391 4.3391 4.4472 4.4472 4.8543 4.8543 5.1253 5.1253 5.2431 5.2431 5.4623 5.4623 5.4802 5.4802 5.5051 5.5051 5.6591 5.6591 5.7451 5.7451 5.8940 5.8940 7.0419 7.0419 7.2339 7.2339 8.3662 8.3662 8.7051 8.7051 9.0316 9.0316 9.4465 9.4465 9.9792 9.9792 12.3225 12.3225 12.3877 12.3877 k = 0.0000 0.1868-0.0000 ( 4126 PWs) bands (ev): -7.3824 -7.3824 -6.4168 -6.4168 -4.1483 -4.1483 -4.0759 -4.0759 1.7787 1.7787 2.3087 2.3087 2.7823 2.7823 4.2678 4.2678 4.3289 4.3289 4.4666 4.4666 4.8587 4.8587 5.0443 5.0443 5.2245 5.2245 5.4628 5.4628 5.4811 5.4811 5.5000 5.5000 5.6560 5.6560 5.7305 5.7305 5.8553 5.8553 6.9866 6.9866 7.1667 7.1667 8.4562 8.4562 8.7396 8.7396 9.0574 9.0574 9.5146 9.5146 9.9946 9.9946 12.3265 12.3265 12.3977 12.3977 k = 0.0000 0.1751-0.0000 ( 4122 PWs) bands (ev): -7.4095 -7.4095 -6.4067 -6.4067 -4.1368 -4.1368 -4.0409 -4.0409 1.8282 1.8282 2.3645 2.3645 2.6786 2.6786 4.2779 4.2779 4.3209 4.3209 4.4860 4.4860 4.8598 4.8598 4.9592 4.9592 5.2043 5.2043 5.4610 5.4610 5.4825 5.4825 5.4960 5.4960 5.6521 5.6521 5.7098 5.7098 5.8263 5.8263 6.9330 6.9330 7.1020 7.1020 8.5443 8.5443 8.7717 8.7717 9.0748 9.0748 9.5959 9.5959 10.0089 10.0089 12.2850 12.2850 12.4476 12.4476 k = 0.0000 0.1635-0.0000 ( 4124 PWs) bands (ev): -7.4351 -7.4351 -6.3980 -6.3980 -4.1258 -4.1258 -4.0049 -4.0049 1.8817 1.8817 2.4105 2.4105 2.5886 2.5886 4.2826 4.2826 4.3192 4.3192 4.5054 4.5054 4.8362 4.8362 4.8931 4.8931 5.1821 5.1821 5.4568 5.4568 5.4837 5.4837 5.4933 5.4933 5.6469 5.6469 5.6853 5.6853 5.8058 5.8058 6.8815 6.8815 7.0399 7.0399 8.6298 8.6298 8.8017 8.8017 9.0863 9.0863 9.6862 9.6862 10.0231 10.0231 12.2403 12.2403 12.4929 12.4929 k = 0.0000 0.1518-0.0000 ( 4129 PWs) bands (ev): -7.4592 -7.4592 -6.3907 -6.3907 -4.1155 -4.1155 -3.9684 -3.9684 1.9392 1.9392 2.4094 2.4094 2.5499 2.5499 4.2779 4.2779 4.3273 4.3273 4.5246 4.5246 4.7533 4.7533 4.8822 4.8822 5.1577 5.1577 5.4509 5.4509 5.4829 5.4829 5.4928 5.4928 5.6373 5.6373 5.6633 5.6633 5.7908 5.7908 6.8326 6.8326 6.9809 6.9809 8.7117 8.7117 8.8302 8.8302 9.0940 9.0940 9.7806 9.7806 10.0391 10.0391 12.1964 12.1964 12.5268 12.5268 k = 0.0000 0.1401-0.0000 ( 4117 PWs) bands (ev): -7.4817 -7.4817 -6.3847 -6.3847 -4.1059 -4.1059 -3.9320 -3.9320 2.0003 2.0003 2.3417 2.3417 2.5822 2.5822 4.2670 4.2670 4.3410 4.3410 4.5432 4.5432 4.6577 4.6577 4.8822 4.8822 5.1312 5.1312 5.4436 5.4436 5.4802 5.4802 5.4941 5.4941 5.6189 5.6189 5.6512 5.6512 5.7788 5.7788 6.7863 6.7863 6.9254 6.9254 8.7872 8.7872 8.8593 8.8593 9.0997 9.0997 9.8714 9.8714 10.0627 10.0627 12.1543 12.1543 12.5451 12.5451 k = 0.0000 0.1284-0.0000 ( 4111 PWs) bands (ev): -7.5026 -7.5026 -6.3796 -6.3796 -4.0970 -4.0970 -3.8960 -3.8960 2.0641 2.0641 2.2599 2.2599 2.6336 2.6336 4.2512 4.2512 4.3559 4.3559 4.5537 4.5537 4.5709 4.5709 4.8826 4.8826 5.1030 5.1030 5.4350 5.4350 5.4765 5.4765 5.4958 5.4958 5.5974 5.5974 5.6451 5.6451 5.7684 5.7684 6.7431 6.7431 6.8736 6.8736 8.8460 8.8460 8.8987 8.8987 9.1044 9.1044 9.9426 9.9426 10.1081 10.1081 12.1148 12.1148 12.5453 12.5453 k = 0.0000 0.1168-0.0000 ( 4107 PWs) bands (ev): -7.5217 -7.5217 -6.3755 -6.3755 -4.0888 -4.0888 -3.8609 -3.8609 2.1236 2.1236 2.1869 2.1869 2.6879 2.6879 4.2276 4.2276 4.3662 4.3662 4.4793 4.4793 4.5806 4.5806 4.8819 4.8819 5.0737 5.0737 5.4252 5.4252 5.4721 5.4721 5.4973 5.4973 5.5778 5.5778 5.6407 5.6407 5.7591 5.7591 6.7032 6.7032 6.8257 6.8257 8.8784 8.8784 8.9568 8.9568 9.1096 9.1096 9.9813 9.9813 10.1868 10.1868 12.0782 12.0782 12.5274 12.5274 k = 0.0000 0.1051-0.0000 ( 4107 PWs) bands (ev): -7.5392 -7.5392 -6.3723 -6.3723 -4.0813 -4.0813 -3.8273 -3.8273 2.0920 2.0920 2.2126 2.2126 2.7415 2.7415 4.1871 4.1871 4.3524 4.3524 4.4392 4.4392 4.5971 4.5971 4.8792 4.8792 5.0441 5.0441 5.4143 5.4143 5.4672 5.4672 5.4984 5.4984 5.5615 5.5615 5.6370 5.6370 5.7505 5.7505 6.6668 6.6668 6.7819 6.7819 8.8989 8.8989 9.0169 9.0169 9.1174 9.1174 9.9988 9.9988 10.2867 10.2867 12.0447 12.0447 12.4930 12.4930 k = 0.0000 0.0934-0.0000 ( 4109 PWs) bands (ev): -7.5549 -7.5549 -6.3697 -6.3697 -4.0746 -4.0746 -3.7956 -3.7956 2.0237 2.0237 2.2833 2.2833 2.7930 2.7930 4.1213 4.1213 4.3194 4.3194 4.4456 4.4456 4.6127 4.6127 4.8736 4.8736 5.0156 5.0156 5.4025 5.4025 5.4621 5.4621 5.4988 5.4988 5.5488 5.5488 5.6337 5.6337 5.7427 5.7427 6.6339 6.6339 6.7426 6.7426 8.9146 8.9146 9.0647 9.0647 9.1345 9.1345 10.0073 10.0073 10.3942 10.3942 12.0146 12.0146 12.4449 12.4449 k = 0.0000 0.0817-0.0000 ( 4107 PWs) bands (ev): -7.5688 -7.5688 -6.3677 -6.3677 -4.0687 -4.0687 -3.7662 -3.7662 1.9601 1.9601 2.3577 2.3577 2.8416 2.8416 4.0355 4.0355 4.2963 4.2963 4.4653 4.4653 4.6271 4.6271 4.8637 4.8637 4.9899 4.9899 5.3901 5.3901 5.4568 5.4568 5.4985 5.4985 5.5396 5.5396 5.6309 5.6309 5.7358 5.7358 6.6047 6.6047 6.7079 6.7079 8.9273 8.9273 9.0893 9.0893 9.1700 9.1700 10.0117 10.0117 10.5033 10.5033 11.9880 11.9880 12.3867 12.3867 k = 0.0000 0.0701-0.0000 ( 4109 PWs) bands (ev): -7.5809 -7.5809 -6.3661 -6.3661 -4.0635 -4.0635 -3.7397 -3.7397 1.9035 1.9035 2.4331 2.4331 2.8863 2.8863 3.9414 3.9414 4.2818 4.2818 4.4891 4.4891 4.6399 4.6399 4.8481 4.8481 4.9690 4.9690 5.3774 5.3774 5.4518 5.4518 5.4974 5.4974 5.5333 5.5333 5.6285 5.6285 5.7299 5.7299 6.5791 6.5791 6.6778 6.6778 8.9375 8.9375 9.0992 9.0992 9.2141 9.2141 10.0140 10.0140 10.6107 10.6107 11.9649 11.9649 12.3216 12.3216 k = 0.0000 0.0584-0.0000 ( 4109 PWs) bands (ev): -7.5912 -7.5912 -6.3650 -6.3650 -4.0592 -4.0592 -3.7165 -3.7165 1.8546 1.8546 2.5077 2.5077 2.9267 2.9267 3.8466 3.8466 4.2722 4.2722 4.5150 4.5150 4.6513 4.6513 4.8265 4.8265 4.9537 4.9537 5.3652 5.3652 5.4472 5.4472 5.4958 5.4958 5.5294 5.5294 5.6265 5.6265 5.7249 5.7249 6.5573 6.5573 6.6525 6.6525 8.9455 8.9455 9.1046 9.1046 9.2561 9.2561 10.0150 10.0150 10.7136 10.7136 11.9452 11.9452 12.2533 12.2533 k = 0.0000 0.0467-0.0000 ( 4121 PWs) bands (ev): -7.5997 -7.5997 -6.3641 -6.3641 -4.0556 -4.0556 -3.6969 -3.6969 1.8140 1.8140 2.5791 2.5791 2.9620 2.9620 3.7559 3.7559 4.2654 4.2654 4.5422 4.5422 4.6609 4.6609 4.8001 4.8001 4.9434 4.9434 5.3539 5.3539 5.4431 5.4431 5.4940 5.4940 5.5270 5.5270 5.6250 5.6250 5.7208 5.7208 6.5392 6.5392 6.6320 6.6320 8.9517 8.9517 9.1082 9.1082 9.2924 9.2924 10.0154 10.0154 10.8089 10.8089 11.9290 11.9290 12.1855 12.1855 k = 0.0000 0.0350-0.0000 ( 4127 PWs) bands (ev): -7.6062 -7.6062 -6.3635 -6.3635 -4.0529 -4.0529 -3.6813 -3.6813 1.7820 1.7820 2.6439 2.6439 2.9918 2.9918 3.6739 3.6739 4.2606 4.2606 4.5702 4.5702 4.6687 4.6687 4.7709 4.7709 4.9366 4.9366 5.3444 5.3444 5.4399 5.4399 5.4924 5.4924 5.5257 5.5257 5.6238 5.6238 5.7177 5.7177 6.5249 6.5249 6.6162 6.6162 8.9563 8.9563 9.1108 9.1108 9.3215 9.3215 10.0154 10.0154 10.8926 10.8926 11.9162 11.9162 12.1229 12.1229 k = 0.0000 0.0234-0.0000 ( 4127 PWs) bands (ev): -7.6109 -7.6109 -6.3631 -6.3631 -4.0509 -4.0509 -3.6699 -3.6699 1.7589 1.7589 2.6972 2.6972 3.0152 3.0152 3.6062 3.6062 4.2574 4.2574 4.5980 4.5980 4.6748 4.6748 4.7410 4.7410 4.9324 4.9324 5.3371 5.3371 5.4375 5.4375 5.4911 5.4911 5.5251 5.5251 5.6231 5.6231 5.7155 5.7155 6.5146 6.5146 6.6051 6.6051 8.9594 8.9594 9.1127 9.1127 9.3428 9.3428 10.0152 10.0152 10.9595 10.9595 11.9067 11.9067 12.0710 12.0710 k = 0.0000 0.0117-0.0000 ( 4125 PWs) bands (ev): -7.6138 -7.6138 -6.3629 -6.3629 -4.0497 -4.0497 -3.6630 -3.6630 1.7450 1.7450 2.7330 2.7330 3.0309 3.0309 3.5603 3.5603 4.2556 4.2556 4.6232 4.6232 4.6801 4.6801 4.7127 4.7127 4.9300 4.9300 5.3325 5.3325 5.4361 5.4361 5.4903 5.4903 5.5248 5.5248 5.6226 5.6226 5.7142 5.7142 6.5084 6.5084 6.5984 6.5984 8.9612 8.9612 9.1138 9.1138 9.3557 9.3557 10.0151 10.0151 11.0035 11.0035 11.9007 11.9007 12.0363 12.0363 k = 0.0000 0.0000 0.0000 ( 4111 PWs) bands (ev): -7.6147 -7.6147 -6.3628 -6.3628 -4.0493 -4.0493 -3.6607 -3.6607 1.7404 1.7404 2.7457 2.7457 3.0366 3.0366 3.5438 3.5438 4.2550 4.2550 4.6356 4.6356 4.6870 4.6870 4.6941 4.6941 4.9292 4.9292 5.3310 5.3310 5.4356 5.4356 5.4901 5.4901 5.5247 5.5247 5.6225 5.6225 5.7138 5.7138 6.5063 6.5063 6.5963 6.5963 8.9618 8.9618 9.1142 9.1142 9.3601 9.3601 10.0150 10.0150 11.0190 11.0190 11.8987 11.8987 12.0240 12.0240 k = 0.0000 0.0000 0.0000 ( 4111 PWs) bands (ev): -7.6147 -7.6147 -6.3628 -6.3628 -4.0493 -4.0493 -3.6607 -3.6607 1.7404 1.7404 2.7457 2.7457 3.0366 3.0366 3.5438 3.5438 4.2550 4.2550 4.6356 4.6356 4.6870 4.6870 4.6941 4.6941 4.9292 4.9292 5.3310 5.3310 5.4356 5.4356 5.4901 5.4901 5.5247 5.5247 5.6225 5.6225 5.7138 5.7138 6.5063 6.5063 6.5963 6.5963 8.9618 8.9618 9.1142 9.1142 9.3601 9.3601 10.0150 10.0150 11.0190 11.0190 11.8987 11.8987 12.0240 12.0240 k = 0.0000 0.0000 0.0116 ( 4123 PWs) bands (ev): -7.6138 -7.6138 -6.3645 -6.3645 -4.0485 -4.0485 -3.6608 -3.6608 1.7400 1.7400 2.7427 2.7427 3.0384 3.0384 3.5456 3.5456 4.2513 4.2513 4.6355 4.6355 4.6833 4.6833 4.6995 4.6995 4.9355 4.9355 5.3320 5.3320 5.4352 5.4352 5.4901 5.4901 5.5247 5.5247 5.6230 5.6230 5.7136 5.7136 6.5054 6.5054 6.5965 6.5965 8.9586 8.9586 9.1090 9.1090 9.3597 9.3597 10.0090 10.0090 11.0147 11.0147 11.9014 11.9014 12.0251 12.0251 k = 0.0000 0.0000 0.0233 ( 4115 PWs) bands (ev): -7.6112 -7.6112 -6.3693 -6.3693 -4.0461 -4.0461 -3.6611 -3.6611 1.7389 1.7389 2.7336 2.7336 3.0441 3.0441 3.5510 3.5510 4.2411 4.2411 4.6351 4.6351 4.6783 4.6783 4.7095 4.7095 4.9541 4.9541 5.3351 5.3351 5.4340 5.4340 5.4902 5.4902 5.5246 5.5246 5.6245 5.6245 5.7132 5.7132 6.5027 6.5027 6.5975 6.5975 8.9476 8.9476 9.0951 9.0951 9.3586 9.3586 9.9912 9.9912 11.0019 11.0019 11.9095 11.9095 12.0294 12.0294 k = 0.0000 0.0000 0.0349 ( 4119 PWs) bands (ev): -7.6069 -7.6069 -6.3773 -6.3773 -4.0421 -4.0421 -3.6615 -3.6615 1.7371 1.7371 2.7184 2.7184 3.0538 3.0538 3.5599 3.5599 4.2257 4.2257 4.6345 4.6345 4.6732 4.6732 4.7216 4.7216 4.9842 4.9842 5.3402 5.3402 5.4319 5.4319 5.4901 5.4901 5.5245 5.5245 5.6271 5.6271 5.7125 5.7125 6.4983 6.4983 6.5991 6.5991 8.9246 8.9246 9.0777 9.0777 9.3570 9.3570 9.9620 9.9620 10.9811 10.9811 11.9227 11.9227 12.0393 12.0393 k = 0.0000 0.0000 0.0465 ( 4119 PWs) bands (ev): -7.6008 -7.6008 -6.3885 -6.3885 -4.0366 -4.0366 -3.6621 -3.6621 1.7347 1.7347 2.6974 2.6974 3.0679 3.0679 3.5721 3.5721 4.2071 4.2071 4.6337 4.6337 4.6680 4.6680 4.7346 4.7346 5.0241 5.0241 5.3471 5.3471 5.4291 5.4291 5.4901 5.4901 5.5247 5.5247 5.6308 5.6308 5.7115 5.7115 6.4920 6.4920 6.6015 6.6015 8.8847 8.8847 9.0632 9.0632 9.3549 9.3549 9.9223 9.9223 10.9526 10.9526 11.9406 11.9406 12.0572 12.0572 k = 0.0000 0.0000 0.0582 ( 4123 PWs) bands (ev): -7.5930 -7.5930 -6.4026 -6.4026 -4.0296 -4.0296 -3.6629 -3.6629 1.7317 1.7317 2.6708 2.6708 3.0865 3.0865 3.5874 3.5874 4.1870 4.1870 4.6327 4.6327 4.6627 4.6627 4.7481 4.7481 5.0720 5.0720 5.3553 5.3553 5.4256 5.4256 5.4899 5.4899 5.5251 5.5251 5.6357 5.6357 5.7103 5.7103 6.4841 6.4841 6.6046 6.6046 8.8268 8.8268 9.0544 9.0544 9.3526 9.3526 9.8734 9.8734 10.9172 10.9172 11.9627 11.9627 12.0848 12.0848 k = 0.0000 0.0000 0.0698 ( 4115 PWs) bands (ev): -7.5835 -7.5835 -6.4196 -6.4196 -4.0214 -4.0214 -3.6639 -3.6639 1.7281 1.7281 2.6392 2.6392 3.1099 3.1099 3.6056 3.6056 4.1668 4.1668 4.6314 4.6314 4.6576 4.6576 4.7617 4.7617 5.1256 5.1256 5.3644 5.3644 5.4218 5.4218 5.4897 5.4897 5.5262 5.5262 5.6417 5.6417 5.7090 5.7090 6.4744 6.4744 6.6086 6.6086 8.7537 8.7537 9.0507 9.0507 9.3499 9.3499 9.8170 9.8170 10.8756 10.8756 11.9883 11.9883 12.1227 12.1227 k = 0.0000 0.0000 0.0814 ( 4115 PWs) bands (ev): -7.5722 -7.5722 -6.4393 -6.4393 -4.0119 -4.0119 -3.6652 -3.6652 1.7243 1.7243 2.6032 2.6032 3.1382 3.1382 3.6265 3.6265 4.1470 4.1470 4.6300 4.6300 4.6526 4.6526 4.7754 4.7754 5.1824 5.1824 5.3731 5.3731 5.4186 5.4186 5.4892 5.4892 5.5281 5.5281 5.6487 5.6487 5.7078 5.7078 6.4631 6.4631 6.6136 6.6136 8.6692 8.6692 9.0503 9.0503 9.3470 9.3470 9.7549 9.7549 10.8281 10.8281 12.0170 12.0170 12.1704 12.1704 k = 0.0000 0.0000 0.0931 ( 4123 PWs) bands (ev): -7.5594 -7.5594 -6.4615 -6.4615 -4.0013 -4.0013 -3.6667 -3.6667 1.7201 1.7201 2.5634 2.5634 3.1712 3.1712 3.6498 3.6498 4.1282 4.1282 4.6282 4.6282 4.6480 4.6480 4.7891 4.7891 5.2394 5.2394 5.3797 5.3797 5.4180 5.4180 5.4889 5.4889 5.5312 5.5312 5.6567 5.6567 5.7068 5.7068 6.4502 6.4502 6.6198 6.6198 8.5764 8.5764 9.0523 9.0523 9.3437 9.3437 9.6890 9.6890 10.7754 10.7754 12.0485 12.0485 12.2271 12.2271 k = 0.0000 0.0000 0.1047 ( 4123 PWs) bands (ev): -7.5448 -7.5448 -6.4861 -6.4861 -3.9898 -3.9898 -3.6684 -3.6684 1.7159 1.7159 2.5207 2.5207 3.2087 3.2087 3.6754 3.6754 4.1108 4.1108 4.6262 4.6262 4.6438 4.6438 4.8030 4.8030 5.2917 5.2917 5.3838 5.3838 5.4224 5.4224 5.4893 5.4893 5.5358 5.5358 5.6653 5.6653 5.7069 5.7069 6.4356 6.4356 6.6273 6.6273 8.4782 8.4782 9.0557 9.0557 9.3401 9.3401 9.6212 9.6212 10.7180 10.7180 12.0825 12.0825 12.2913 12.2913 k = 0.0000 0.0000 0.1163 ( 4125 PWs) bands (ev): -7.5286 -7.5286 -6.5129 -6.5129 -3.9775 -3.9775 -3.6705 -3.6705 1.7119 1.7119 2.4756 2.4756 3.2506 3.2506 3.7032 3.7032 4.0945 4.0945 4.6240 4.6240 4.6400 4.6400 4.8171 4.8171 5.3276 5.3276 5.3900 5.3900 5.4351 5.4351 5.4911 5.4911 5.5426 5.5426 5.6736 5.6736 5.7090 5.7090 6.4196 6.4196 6.6363 6.6363 8.3766 8.3766 9.0603 9.0603 9.3361 9.3361 9.5533 9.5533 10.6560 10.6560 12.1188 12.1188 12.3617 12.3617 k = 0.0000 0.0000 0.1280 ( 4117 PWs) bands (ev): -7.5109 -7.5109 -6.5416 -6.5416 -3.9644 -3.9644 -3.6728 -3.6728 1.7081 1.7081 2.4289 2.4289 3.2964 3.2964 3.7332 3.7332 4.0795 4.0795 4.6216 4.6216 4.6368 4.6368 4.8315 4.8315 5.3369 5.3369 5.3975 5.3975 5.4636 5.4636 5.4950 5.4950 5.5519 5.5519 5.6808 5.6808 5.7148 5.7148 6.4021 6.4021 6.6470 6.6470 8.2736 8.2736 9.0658 9.0658 9.3318 9.3318 9.4869 9.4869 10.5901 10.5901 12.1574 12.1574 12.4368 12.4368 k = 0.0000 0.0000 0.1396 ( 4129 PWs) bands (ev): -7.4915 -7.4915 -6.5722 -6.5722 -3.9509 -3.9509 -3.6755 -3.6755 1.7049 1.7049 2.3811 2.3811 3.3454 3.3454 3.7654 3.7654 4.0656 4.0656 4.6191 4.6191 4.6338 4.6338 4.8462 4.8462 5.3314 5.3314 5.3964 5.3964 5.4950 5.4950 5.5086 5.5086 5.5638 5.5638 5.6874 5.6874 5.7248 5.7248 6.3832 6.3832 6.6597 6.6597 8.1710 8.1710 9.0720 9.0720 9.3270 9.3270 9.4237 9.4237 10.5203 10.5203 12.1981 12.1981 12.5152 12.5152 k = 0.0000 0.0000 0.1512 ( 4129 PWs) bands (ev): -7.4706 -7.4706 -6.6042 -6.6042 -3.9369 -3.9369 -3.6786 -3.6786 1.7024 1.7024 2.3329 2.3329 3.3969 3.3969 3.8003 3.8003 4.0527 4.0527 4.6166 4.6166 4.6311 4.6311 4.8612 4.8612 5.3206 5.3206 5.3875 5.3875 5.5025 5.5025 5.5455 5.5455 5.5775 5.5775 5.6962 5.6962 5.7382 5.7382 6.3630 6.3630 6.6746 6.6746 8.0703 8.0703 9.0786 9.0786 9.3217 9.3217 9.3652 9.3652 10.4472 10.4472 12.2409 12.2409 12.5956 12.5956 k = 0.0000 0.0000 0.1629 ( 4127 PWs) bands (ev): -7.4482 -7.4482 -6.6377 -6.6377 -3.9226 -3.9226 -3.6821 -3.6821 1.7009 1.7009 2.2848 2.2848 3.4500 3.4500 3.8383 3.8383 4.0406 4.0406 4.6142 4.6142 4.6287 4.6287 4.8766 4.8766 5.3073 5.3073 5.3723 5.3723 5.5076 5.5076 5.5769 5.5769 5.5921 5.5921 5.7105 5.7105 5.7541 5.7541 6.3415 6.3415 6.6919 6.6919 7.9727 7.9727 9.0855 9.0855 9.3089 9.3089 9.3198 9.3198 10.3711 10.3711 12.2857 12.2857 12.6766 12.6766 k = 0.0000 0.0000 0.1745 ( 4135 PWs) bands (ev): -7.4244 -7.4244 -6.6723 -6.6723 -3.9082 -3.9082 -3.6860 -3.6860 1.7006 1.7006 2.2371 2.2371 3.5034 3.5034 3.8800 3.8800 4.0293 4.0293 4.6120 4.6120 4.6264 4.6264 4.8923 4.8923 5.2924 5.2924 5.3512 5.3512 5.5119 5.5119 5.5918 5.5918 5.6139 5.6139 5.7307 5.7307 5.7714 5.7714 6.3188 6.3188 6.7118 6.7118 7.8793 7.8793 9.0925 9.0925 9.2661 9.2661 9.3116 9.3116 10.2922 10.2922 12.3326 12.3326 12.7567 12.7567 k = 0.0000 0.0000 0.1861 ( 4131 PWs) bands (ev): -7.3991 -7.3991 -6.7079 -6.7079 -3.8937 -3.8937 -3.6904 -3.6904 1.7017 1.7017 2.1903 2.1903 3.5557 3.5557 3.9258 3.9258 4.0192 4.0192 4.6101 4.6101 4.6242 4.6242 4.9085 4.9085 5.2763 5.2763 5.3242 5.3242 5.5159 5.5159 5.5954 5.5954 5.6391 5.6391 5.7545 5.7545 5.7896 5.7896 6.2951 6.2951 6.7347 6.7347 7.7908 7.7908 9.0992 9.0992 9.2298 9.2298 9.3053 9.3053 10.2111 10.2111 12.3814 12.3814 12.8342 12.8342 k = 0.0000 0.0000 0.1978 ( 4135 PWs) bands (ev): -7.3724 -7.3724 -6.7443 -6.7443 -3.8792 -3.8792 -3.6952 -3.6952 1.7044 1.7044 2.1448 2.1448 3.6054 3.6054 3.9722 3.9722 4.0144 4.0144 4.6085 4.6085 4.6221 4.6221 4.9250 4.9250 5.2593 5.2593 5.2908 5.2908 5.5196 5.5196 5.5944 5.5944 5.6637 5.6637 5.7787 5.7787 5.8076 5.8076 6.2703 6.2703 6.7606 6.7606 7.7074 7.7074 9.1053 9.1053 9.2034 9.2034 9.2988 9.2988 10.1283 10.1283 12.4322 12.4322 12.9068 12.9068 k = 0.0000 0.0000 0.2094 ( 4139 PWs) bands (ev): -7.3445 -7.3445 -6.7814 -6.7814 -3.8650 -3.8650 -3.7006 -3.7006 1.7089 1.7089 2.1007 2.1007 3.6516 3.6516 3.9870 3.9870 4.0477 4.0477 4.6071 4.6071 4.6201 4.6201 4.9419 4.9419 5.2405 5.2405 5.2515 5.2515 5.5230 5.5230 5.5910 5.5910 5.6875 5.6875 5.8010 5.8010 5.8254 5.8254 6.2447 6.2447 6.7898 6.7898 7.6293 7.6293 9.1112 9.1112 9.1876 9.1876 9.2922 9.2922 10.0441 10.0441 12.4848 12.4848 12.9718 12.9718 k = 0.0000 0.0000 0.2211 ( 4139 PWs) bands (ev): -7.3153 -7.3153 -6.8188 -6.8188 -3.8509 -3.8509 -3.7065 -3.7065 1.7153 1.7153 2.0584 2.0584 3.6934 3.6934 3.9790 3.9790 4.1103 4.1103 4.6061 4.6061 4.6181 4.6181 4.9590 4.9590 5.2013 5.2013 5.2249 5.2249 5.5264 5.5264 5.5864 5.5864 5.7102 5.7102 5.8194 5.8194 5.8440 5.8440 6.2183 6.2183 6.8222 6.8222 7.5561 7.5561 9.1180 9.1180 9.1816 9.1816 9.2855 9.2855 9.9592 9.9592 12.5391 12.5391 13.0256 13.0256 k = 0.0000 0.0000 0.2327 ( 4129 PWs) bands (ev): -7.2849 -7.2849 -6.8566 -6.8566 -3.8372 -3.8372 -3.7130 -3.7130 1.7239 1.7239 2.0181 2.0181 3.7307 3.7307 3.9682 3.9682 4.1816 4.1816 4.6054 4.6054 4.6163 4.6163 4.9764 4.9764 5.1470 5.1470 5.2060 5.2060 5.5298 5.5298 5.5812 5.5812 5.7317 5.7317 5.8318 5.8318 5.8653 5.8653 6.1912 6.1912 6.8579 6.8579 7.4872 7.4872 9.1280 9.1280 9.1833 9.1833 9.2790 9.2790 9.8743 9.8743 12.5951 12.5951 13.0644 13.0644 k = 0.0000 0.0000 0.2443 ( 4124 PWs) bands (ev): -7.2533 -7.2533 -6.8945 -6.8945 -3.8238 -3.8238 -3.7201 -3.7201 1.7346 1.7346 1.9799 1.9799 3.7638 3.7638 3.9564 3.9564 4.2589 4.2589 4.6051 4.6051 4.6146 4.6146 4.9933 4.9933 5.0860 5.0860 5.1870 5.1870 5.5332 5.5332 5.5759 5.5759 5.7516 5.7516 5.8387 5.8387 5.8889 5.8889 6.1636 6.1636 6.8968 6.8968 7.4220 7.4220 9.1424 9.1424 9.1908 9.1908 9.2733 9.2733 9.7900 9.7900 12.6524 12.6524 13.0849 13.0849 k = 0.0000 0.0000 0.2560 ( 4130 PWs) bands (ev): -7.2208 -7.2208 -6.9325 -6.9325 -3.8109 -3.8109 -3.7278 -3.7278 1.7477 1.7477 1.9440 1.9440 3.7930 3.7930 3.9437 3.9437 4.3407 4.3407 4.6049 4.6049 4.6130 4.6130 4.9991 4.9991 5.0297 5.0297 5.1679 5.1679 5.5367 5.5367 5.5707 5.5707 5.7698 5.7698 5.8414 5.8414 5.9139 5.9139 6.1356 6.1356 6.9387 6.9387 7.3598 7.3598 9.1597 9.1597 9.2030 9.2030 9.2706 9.2706 9.7071 9.7071 12.7107 12.7107 13.0856 13.0856 k = 0.0000 0.0000 0.2676 ( 4130 PWs) bands (ev): -7.1872 -7.1872 -6.9702 -6.9702 -3.7985 -3.7985 -3.7360 -3.7360 1.7633 1.7633 1.9105 1.9105 3.8190 3.8190 3.9302 3.9302 4.4256 4.4256 4.6050 4.6050 4.6116 4.6116 4.9373 4.9373 5.0354 5.0354 5.1486 5.1486 5.5402 5.5402 5.5656 5.5656 5.7860 5.7860 5.8407 5.8407 5.9399 5.9399 6.1073 6.1073 6.9835 6.9835 7.3002 7.3002 9.1761 9.1761 9.2164 9.2164 9.2777 9.2777 9.6266 9.6266 12.7696 12.7696 13.0680 13.0680 k = 0.0000 0.0000 0.2792 ( 4126 PWs) bands (ev): -7.1527 -7.1527 -7.0077 -7.0077 -3.7866 -3.7866 -3.7449 -3.7449 1.7814 1.7814 1.8795 1.8795 3.8423 3.8423 3.9155 3.9155 4.5121 4.5121 4.6055 4.6055 4.6108 4.6108 4.8590 4.8590 5.0530 5.0530 5.1293 5.1293 5.5439 5.5439 5.5608 5.5608 5.8004 5.8004 5.8372 5.8372 5.9668 5.9668 6.0790 6.0790 7.0310 7.0310 7.2425 7.2425 9.1895 9.1895 9.2212 9.2212 9.3056 9.3056 9.5496 9.5496 12.8283 12.8283 13.0354 13.0354 k = 0.0000 0.0000 0.2909 ( 4136 PWs) bands (ev): -7.1174 -7.1174 -7.0449 -7.0449 -3.7753 -3.7753 -3.7544 -3.7544 1.8020 1.8020 1.8511 1.8511 3.8633 3.8633 3.8996 3.8996 4.5925 4.5925 4.6059 4.6059 4.6170 4.6170 4.7761 4.7761 5.0717 5.0717 5.1100 5.1100 5.5478 5.5478 5.5562 5.5562 5.8127 5.8127 5.8312 5.8312 5.9942 5.9942 6.0505 6.0505 7.0808 7.0808 7.1868 7.1868 9.2005 9.2005 9.2174 9.2174 9.3522 9.3522 9.4770 9.4770 12.8860 12.8860 12.9920 12.9920 k = 0.0000 0.0000 0.3025 ( 4126 PWs) bands (ev): -7.0815 -7.0815 -7.0815 -7.0815 -3.7646 -3.7646 -3.7646 -3.7646 1.8252 1.8252 1.8252 1.8252 3.8823 3.8823 3.8823 3.8823 4.6056 4.6056 4.6056 4.6056 4.6909 4.6909 4.6909 4.6909 5.0908 5.0908 5.0908 5.0908 5.5519 5.5519 5.5519 5.5519 5.8230 5.8230 5.8230 5.8230 6.0222 6.0222 6.0222 6.0222 7.1329 7.1329 7.1329 7.1329 9.2099 9.2099 9.2099 9.2099 9.4106 9.4106 9.4106 9.4106 12.9412 12.9412 12.9412 12.9412 k = 0.0000 0.0000 0.3025 ( 4126 PWs) bands (ev): -7.0815 -7.0815 -7.0815 -7.0815 -3.7646 -3.7646 -3.7646 -3.7646 1.8252 1.8252 1.8252 1.8252 3.8823 3.8823 3.8823 3.8823 4.6056 4.6056 4.6056 4.6056 4.6909 4.6909 4.6909 4.6909 5.0908 5.0908 5.0908 5.0908 5.5519 5.5519 5.5519 5.5519 5.8230 5.8230 5.8230 5.8230 6.0222 6.0222 6.0222 6.0222 7.1329 7.1329 7.1329 7.1329 9.2099 9.2099 9.2099 9.2099 9.4106 9.4106 9.4106 9.4106 12.9412 12.9412 12.9412 12.9412 k = 0.0119-0.0000 0.3025 ( 4124 PWs) bands (ev): -7.0809 -7.0809 -7.0809 -7.0809 -3.7645 -3.7645 -3.7643 -3.7643 1.8255 1.8255 1.8265 1.8265 3.8823 3.8823 3.8826 3.8826 4.5993 4.5993 4.6082 4.6082 4.6901 4.6901 4.6913 4.6913 5.0798 5.0798 5.0943 5.0943 5.5463 5.5463 5.5580 5.5580 5.8210 5.8210 5.8210 5.8210 6.0215 6.0215 6.0276 6.0276 7.1318 7.1318 7.1380 7.1380 9.1863 9.1863 9.2104 9.2104 9.4001 9.4001 9.4362 9.4362 12.9450 12.9450 12.9456 12.9456 k = 0.0238-0.0000 0.3025 ( 4130 PWs) bands (ev): -7.0792 -7.0792 -7.0791 -7.0791 -3.7640 -3.7640 -3.7637 -3.7637 1.8272 1.8272 1.8292 1.8292 3.8825 3.8825 3.8831 3.8831 4.5903 4.5903 4.6068 4.6068 4.6890 4.6890 4.6901 4.6901 5.0623 5.0623 5.0909 5.0909 5.5415 5.5415 5.5640 5.5640 5.8152 5.8152 5.8155 5.8155 6.0252 6.0252 6.0367 6.0367 7.1347 7.1347 7.1471 7.1471 9.1476 9.1476 9.1844 9.1844 9.4083 9.4083 9.4688 9.4688 12.9566 12.9566 12.9579 12.9579 k = 0.0357-0.0000 0.3025 ( 4134 PWs) bands (ev): -7.0763 -7.0763 -7.0762 -7.0762 -3.7632 -3.7632 -3.7628 -3.7628 1.8303 1.8303 1.8334 1.8334 3.8829 3.8829 3.8837 3.8837 4.5793 4.5793 4.6016 4.6016 4.6855 4.6855 4.6866 4.6866 5.0400 5.0400 5.0820 5.0820 5.5378 5.5378 5.5694 5.5694 5.8065 5.8065 5.8077 5.8077 6.0327 6.0327 6.0483 6.0483 7.1413 7.1413 7.1600 7.1600 9.0987 9.0987 9.1384 9.1384 9.4289 9.4289 9.5039 9.5039 12.9752 12.9752 12.9774 12.9774 k = 0.0476-0.0000 0.3025 ( 4138 PWs) bands (ev): -7.0724 -7.0724 -7.0722 -7.0722 -3.7621 -3.7621 -3.7615 -3.7615 1.8349 1.8349 1.8391 1.8391 3.8832 3.8832 3.8842 3.8842 4.5668 4.5668 4.5931 4.5931 4.6758 4.6758 4.6806 4.6806 5.0159 5.0159 5.0701 5.0701 5.5350 5.5350 5.5737 5.5737 5.7960 5.7960 5.7984 5.7984 6.0425 6.0425 6.0610 6.0610 7.1512 7.1512 7.1761 7.1761 9.0416 9.0416 9.0793 9.0793 9.4557 9.4557 9.5399 9.5399 12.9997 12.9997 13.0028 13.0028 k = 0.0595-0.0000 0.3025 ( 4146 PWs) bands (ev): -7.0673 -7.0673 -7.0671 -7.0671 -3.7606 -3.7606 -3.7599 -3.7599 1.8409 1.8409 1.8462 1.8462 3.8834 3.8834 3.8844 3.8844 4.5530 4.5530 4.5815 4.5815 4.6594 4.6594 4.6688 4.6688 4.9935 4.9935 5.0582 5.0582 5.5328 5.5328 5.5767 5.5767 5.7850 5.7850 5.7885 5.7885 6.0536 6.0536 6.0737 6.0737 7.1638 7.1638 7.1949 7.1949 8.9771 8.9771 9.0107 9.0107 9.4856 9.4856 9.5764 9.5764 13.0279 13.0279 13.0323 13.0323 k = 0.0714-0.0000 0.3025 ( 4146 PWs) bands (ev): -7.0611 -7.0611 -7.0609 -7.0609 -3.7588 -3.7588 -3.7580 -3.7580 1.8483 1.8483 1.8547 1.8547 3.8831 3.8831 3.8839 3.8839 4.5375 4.5375 4.5659 4.5659 4.6360 4.6360 4.6501 4.6501 4.9764 4.9764 5.0488 5.0488 5.5311 5.5311 5.5782 5.5782 5.7740 5.7740 5.7783 5.7783 6.0650 6.0650 6.0859 6.0859 7.1787 7.1787 7.2159 7.2159 8.9061 8.9061 8.9346 8.9346 9.5174 9.5174 9.6133 9.6133 13.0573 13.0573 13.0632 13.0632 k = 0.0833-0.0000 0.3025 ( 4150 PWs) bands (ev): -7.0538 -7.0538 -7.0536 -7.0536 -3.7567 -3.7567 -3.7558 -3.7558 1.8569 1.8569 1.8646 1.8646 3.8817 3.8817 3.8822 3.8822 4.5186 4.5186 4.5431 4.5431 4.6074 4.6074 4.6272 4.6272 4.9666 4.9666 5.0436 5.0436 5.5293 5.5293 5.5781 5.5781 5.7635 5.7635 5.7682 5.7682 6.0761 6.0761 6.0971 6.0971 7.1950 7.1950 7.2383 7.2383 8.8290 8.8290 8.8520 8.8520 9.5506 9.5506 9.6506 9.6506 13.0843 13.0843 13.0919 13.0919 k = 0.0952-0.0000 0.3025 ( 4146 PWs) bands (ev): -7.0455 -7.0455 -7.0452 -7.0452 -3.7544 -3.7544 -3.7533 -3.7533 1.8668 1.8668 1.8757 1.8757 3.8787 3.8787 3.8788 3.8788 4.4928 4.4928 4.5091 4.5091 4.5788 4.5788 4.6061 4.6061 4.9641 4.9641 5.0432 5.0432 5.5274 5.5274 5.5766 5.5766 5.7537 5.7537 5.7583 5.7583 6.0865 6.0865 6.1070 6.1070 7.2123 7.2123 7.2615 7.2615 8.7467 8.7467 8.7640 8.7640 9.5852 9.5852 9.6884 9.6884 13.1049 13.1049 13.1142 13.1142 k = 0.1071-0.0000 0.3025 ( 4138 PWs) bands (ev): -7.0361 -7.0361 -7.0359 -7.0359 -3.7517 -3.7517 -3.7506 -3.7506 1.8778 1.8778 1.8881 1.8881 3.8723 3.8723 3.8734 3.8734 4.4568 4.4568 4.4633 4.4633 4.5561 4.5561 4.5903 4.5903 4.9679 4.9679 5.0473 5.0473 5.5253 5.5253 5.5737 5.5737 5.7446 5.7446 5.7485 5.7485 6.0959 6.0959 6.1155 6.1155 7.2298 7.2298 7.2850 7.2850 8.6599 8.6599 8.6713 8.6713 9.6208 9.6208 9.7266 9.7266 13.1146 13.1146 13.1257 13.1257 k = 0.1190-0.0000 0.3025 ( 4138 PWs) bands (ev): -7.0258 -7.0258 -7.0255 -7.0255 -3.7489 -3.7489 -3.7476 -3.7476 1.8899 1.8899 1.9016 1.9016 3.8618 3.8618 3.8642 3.8642 4.4102 4.4102 4.4123 4.4123 4.5405 4.5405 4.5793 4.5793 4.9762 4.9762 5.0551 5.0551 5.5227 5.5227 5.5696 5.5696 5.7361 5.7361 5.7388 5.7388 6.1041 6.1041 6.1225 6.1225 7.2471 7.2471 7.3082 7.3082 8.5693 8.5693 8.5749 8.5749 9.6574 9.6574 9.7652 9.7652 13.1101 13.1101 13.1224 13.1224 k = 0.1310-0.0000 0.3025 ( 4138 PWs) bands (ev): -7.0146 -7.0146 -7.0142 -7.0142 -3.7458 -3.7458 -3.7444 -3.7444 1.9030 1.9030 1.9162 1.9162 3.8457 3.8457 3.8496 3.8496 4.3549 4.3549 4.3645 4.3645 4.5301 4.5301 4.5717 4.5717 4.9877 4.9877 5.0658 5.0658 5.5198 5.5198 5.5646 5.5646 5.7279 5.7279 5.7292 5.7292 6.1111 6.1111 6.1280 6.1280 7.2635 7.2635 7.3306 7.3306 8.4756 8.4756 8.4760 8.4760 9.6948 9.6948 9.8038 9.8038 13.0896 13.0896 13.1022 13.1022 k = 0.1429-0.0000 0.3025 ( 4130 PWs) bands (ev): -7.0025 -7.0025 -7.0021 -7.0021 -3.7426 -3.7426 -3.7410 -3.7410 1.9169 1.9169 1.9317 1.9317 3.8225 3.8225 3.8279 3.8279 4.3020 4.3020 4.3180 4.3180 4.5236 4.5236 4.5669 4.5669 5.0016 5.0016 5.0787 5.0787 5.5164 5.5164 5.5587 5.5587 5.7196 5.7196 5.7201 5.7201 6.1169 6.1169 6.1321 6.1321 7.2786 7.2786 7.3516 7.3516 8.3743 8.3743 8.3808 8.3808 9.7326 9.7326 9.8424 9.8424 13.0536 13.0536 13.0655 13.0655 k = 0.1548-0.0000 0.3025 ( 4134 PWs) bands (ev): -6.9895 -6.9895 -6.9891 -6.9891 -3.7392 -3.7392 -3.7375 -3.7375 1.9314 1.9314 1.9481 1.9481 3.7906 3.7906 3.7971 3.7971 4.2548 4.2548 4.2764 4.2764 4.5202 4.5202 4.5644 4.5644 5.0171 5.0171 5.0933 5.0933 5.5125 5.5125 5.5521 5.5521 5.7099 5.7099 5.7123 5.7123 6.1214 6.1214 6.1348 6.1348 7.2915 7.2915 7.3709 7.3709 8.2719 8.2719 8.2847 8.2847 9.7707 9.7707 9.8807 9.8807 13.0042 13.0042 13.0142 13.0142 k = 0.1667-0.0000 0.3025 ( 4130 PWs) bands (ev): -6.9758 -6.9758 -6.9753 -6.9753 -3.7357 -3.7357 -3.7339 -3.7339 1.9465 1.9465 1.9650 1.9650 3.7497 3.7497 3.7562 3.7562 4.2158 4.2158 4.2415 4.2415 4.5197 4.5197 4.5644 4.5644 5.0337 5.0337 5.1091 5.1091 5.5084 5.5084 5.5450 5.5450 5.7001 5.7001 5.7046 5.7046 6.1247 6.1247 6.1361 6.1361 7.3018 7.3018 7.3878 7.3878 8.1694 8.1694 8.1890 8.1890 9.8088 9.8088 9.9185 9.9185 12.9443 12.9443 12.9516 12.9516 k = 0.1786-0.0000 0.3025 ( 4126 PWs) bands (ev): -6.9613 -6.9613 -6.9608 -6.9608 -3.7321 -3.7321 -3.7302 -3.7302 1.9618 1.9618 1.9825 1.9825 3.7003 3.7003 3.7056 3.7056 4.1854 4.1854 4.2138 4.2138 4.5220 4.5220 4.5667 4.5667 5.0512 5.0512 5.1259 5.1259 5.5039 5.5039 5.5375 5.5375 5.6901 5.6901 5.6968 5.6968 6.1268 6.1268 6.1360 6.1360 7.3085 7.3085 7.4015 7.4015 8.0680 8.0680 8.0948 8.0948 9.8467 9.8467 9.9555 9.9555 12.8769 12.8769 12.8808 12.8808 k = 0.1905-0.0000 0.3025 ( 4118 PWs) bands (ev): -6.9462 -6.9462 -6.9457 -6.9457 -3.7284 -3.7284 -3.7264 -3.7264 1.9773 1.9773 2.0002 2.0002 3.6440 3.6440 3.6470 3.6470 4.1629 4.1629 4.1925 4.1925 4.5272 4.5272 4.5714 4.5714 5.0693 5.0693 5.1434 5.1434 5.4992 5.4992 5.5295 5.5295 5.6799 5.6799 5.6889 5.6889 6.1276 6.1276 6.1346 6.1346 7.3105 7.3105 7.4109 7.4109 7.9695 7.9695 8.0039 8.0039 9.8840 9.8840 9.9915 9.9915 12.8046 12.8046 12.8047 12.8047 k = 0.2024-0.0000 0.3025 ( 4114 PWs) bands (ev): -6.9305 -6.9305 -6.9299 -6.9299 -3.7247 -3.7247 -3.7226 -3.7226 1.9925 1.9925 2.0179 2.0179 3.5829 3.5829 3.5829 3.5829 4.1465 4.1465 4.1763 4.1763 4.5352 4.5352 4.5786 4.5786 5.0878 5.0878 5.1614 5.1614 5.4942 5.4942 5.5213 5.5213 5.6695 5.6695 5.6808 5.6808 6.1271 6.1271 6.1317 6.1317 7.3061 7.3061 7.4139 7.4139 7.8762 7.8762 7.9181 7.9181 9.9206 9.9206 10.0262 10.0262 12.7254 12.7254 12.7299 12.7299 k = 0.2143-0.0000 0.3025 ( 4118 PWs) bands (ev): -6.9142 -6.9142 -6.9137 -6.9137 -3.7210 -3.7210 -3.7188 -3.7188 2.0072 2.0072 2.0353 2.0353 3.5157 3.5157 3.5193 3.5193 4.1343 4.1343 4.1638 4.1638 4.5460 4.5460 4.5882 4.5882 5.1065 5.1065 5.1797 5.1797 5.4891 5.4891 5.5128 5.5128 5.6587 5.6587 5.6725 5.6725 6.1253 6.1253 6.1275 6.1275 7.2932 7.2932 7.4071 7.4071 7.7921 7.7921 7.8402 7.8402 9.9561 9.9561 10.0594 10.0594 12.6451 12.6451 12.6543 12.6543 k = 0.2262-0.0000 0.3025 ( 4116 PWs) bands (ev): -6.8976 -6.8976 -6.8970 -6.8970 -3.7173 -3.7173 -3.7150 -3.7150 2.0211 2.0211 2.0521 2.0521 3.4476 3.4476 3.4549 3.4549 4.1251 4.1251 4.1538 4.1538 4.5596 4.5596 4.6003 4.6003 5.1256 5.1256 5.1982 5.1982 5.4839 5.4839 5.5040 5.5040 5.6478 5.6478 5.6641 5.6641 6.1218 6.1218 6.1222 6.1222 7.2695 7.2695 7.3851 7.3851 7.7228 7.7228 7.7729 7.7729 9.9904 9.9904 10.0910 10.0910 12.5653 12.5653 12.5795 12.5795 k = 0.2381-0.0000 0.3025 ( 4116 PWs) bands (ev): -6.8805 -6.8805 -6.8799 -6.8799 -3.7138 -3.7138 -3.7114 -3.7114 2.0338 2.0338 2.0678 2.0678 3.3802 3.3802 3.3916 3.3916 4.1176 4.1176 4.1454 4.1454 4.5758 4.5758 4.6148 4.6148 5.1448 5.1448 5.2169 5.2169 5.4788 5.4788 5.4951 5.4951 5.6365 5.6365 5.6555 5.6555 6.1146 6.1146 6.1178 6.1178 7.2329 7.2329 7.3432 7.3432 7.6737 7.6737 7.7185 7.7185 10.0232 10.0232 10.1206 10.1206 12.4871 12.4871 12.5067 12.5067 k = 0.2500-0.0000 0.3025 ( 4120 PWs) bands (ev): -6.8633 -6.8633 -6.8626 -6.8626 -3.7103 -3.7103 -3.7078 -3.7078 2.0447 2.0447 2.0821 2.0821 3.3152 3.3152 3.3306 3.3306 4.1112 4.1112 4.1381 4.1381 4.5945 4.5945 4.6314 4.6314 5.1641 5.1641 5.2355 5.2355 5.4736 5.4736 5.4859 5.4859 5.6251 5.6251 5.6469 5.6469 6.1059 6.1059 6.1119 6.1119 7.1833 7.1833 7.2820 7.2820 7.6445 7.6445 7.6776 7.6776 10.0543 10.0543 10.1482 10.1482 12.4117 12.4117 12.4368 12.4368 k = 0.2619-0.0000 0.3025 ( 4116 PWs) bands (ev): -6.8458 -6.8458 -6.8451 -6.8451 -3.7069 -3.7069 -3.7043 -3.7043 2.0536 2.0536 2.0943 2.0943 3.2537 3.2537 3.2732 3.2732 4.1053 4.1053 4.1314 4.1314 4.6155 4.6155 4.6502 4.6502 5.1835 5.1835 5.2541 5.2541 5.4686 5.4686 5.4766 5.4766 5.6135 5.6135 5.6383 5.6383 6.0955 6.0955 6.1047 6.1047 7.1225 7.1225 7.2074 7.2074 7.6295 7.6295 7.6487 7.6487 10.0835 10.0835 10.1735 10.1735 12.3398 12.3398 12.3707 12.3707 k = 0.2738-0.0000 0.3025 ( 4116 PWs) bands (ev): -6.8283 -6.8283 -6.8276 -6.8276 -3.7037 -3.7037 -3.7010 -3.7010 2.0598 2.0598 2.1041 2.1041 3.1968 3.1968 3.2202 3.2202 4.0997 4.0997 4.1251 4.1251 4.6385 4.6385 4.6708 4.6708 5.2030 5.2030 5.2726 5.2726 5.4637 5.4637 5.4671 5.4671 5.6018 5.6018 5.6298 5.6298 6.0834 6.0834 6.0959 6.0959 7.0536 7.0536 7.1261 7.1261 7.6228 7.6228 7.6291 7.6291 10.1107 10.1107 10.1964 10.1964 12.2721 12.2721 12.3090 12.3090 k = 0.2857-0.0000 0.3025 ( 4112 PWs) bands (ev): -6.8107 -6.8107 -6.8100 -6.8100 -3.7006 -3.7006 -3.6978 -3.6978 2.0631 2.0631 2.1108 2.1108 3.1454 3.1454 3.1727 3.1727 4.0940 4.0940 4.1189 4.1189 4.6634 4.6634 4.6932 4.6932 5.2225 5.2225 5.2907 5.2907 5.4576 5.4576 5.4592 5.4592 5.5902 5.5902 5.6216 5.6216 6.0696 6.0696 6.0857 6.0857 6.9797 6.9797 7.0422 7.0422 7.6160 7.6160 7.6202 7.6202 10.1355 10.1355 10.2168 10.2168 12.2091 12.2091 12.2522 12.2522 k = 0.2976-0.0000 0.3025 ( 4108 PWs) bands (ev): -6.7933 -6.7933 -6.7926 -6.7926 -3.6977 -3.6977 -3.6949 -3.6949 2.0629 2.0629 2.1140 2.1140 3.1005 3.1005 3.1312 3.1312 4.0882 4.0882 4.1129 4.1129 4.6899 4.6899 4.7171 4.7171 5.2420 5.2420 5.3084 5.3084 5.4479 5.4479 5.4550 5.4550 5.5786 5.5786 5.6135 5.6135 6.0540 6.0540 6.0740 6.0740 6.9035 6.9035 6.9584 6.9584 7.6071 7.6071 7.6198 7.6198 10.1580 10.1580 10.2345 10.2345 12.1513 12.1513 12.2008 12.2008 k = 0.3095-0.0000 0.3025 ( 4112 PWs) bands (ev): -6.7762 -6.7762 -6.7754 -6.7754 -3.6950 -3.6950 -3.6921 -3.6921 2.0592 2.0592 2.1132 2.1132 3.0625 3.0625 3.0961 3.0961 4.0822 4.0822 4.1070 4.1070 4.7178 4.7178 4.7423 4.7423 5.2613 5.2613 5.3253 5.3253 5.4383 5.4383 5.4513 5.4513 5.5674 5.5674 5.6059 5.6059 6.0365 6.0365 6.0607 6.0607 6.8268 6.8268 6.8761 6.8761 7.6008 7.6008 7.6202 7.6202 10.1781 10.1781 10.2497 10.2497 12.0988 12.0988 12.1548 12.1548 k = 0.3214-0.0000 0.3025 ( 4112 PWs) bands (ev): -6.7593 -6.7593 -6.7585 -6.7585 -3.6925 -3.6925 -3.6896 -3.6896 2.0519 2.0519 2.1083 2.1083 3.0317 3.0317 3.0676 3.0676 4.0760 4.0760 4.1010 4.1010 4.7468 4.7468 4.7685 4.7685 5.2804 5.2804 5.3410 5.3410 5.4289 5.4289 5.4486 5.4486 5.5568 5.5568 5.5987 5.5987 6.0171 6.0171 6.0459 6.0459 6.7509 6.7509 6.7963 6.7963 7.5962 7.5962 7.6209 7.6209 10.1956 10.1956 10.2622 10.2622 12.0518 12.0518 12.1145 12.1145 k = 0.3333-0.0000 0.3025 ( 4110 PWs) bands (ev): -6.7429 -6.7429 -6.7421 -6.7421 -3.6903 -3.6903 -3.6873 -3.6873 2.0411 2.0411 2.0994 2.0994 3.0083 3.0083 3.0457 3.0457 4.0694 4.0694 4.0951 4.0951 4.7768 4.7768 4.7955 4.7955 5.2989 5.2989 5.3550 5.3550 5.4200 5.4200 5.4469 5.4469 5.5471 5.5471 5.5923 5.5923 5.9958 5.9958 6.0296 6.0296 6.6768 6.6768 6.7199 6.7199 7.5925 7.5925 7.6215 7.6215 10.2105 10.2105 10.2721 10.2721 12.0105 12.0105 12.0798 12.0798 k = 0.3452-0.0000 0.3025 ( 4106 PWs) bands (ev): -6.7270 -6.7270 -6.7262 -6.7262 -3.6882 -3.6882 -3.6852 -3.6852 2.0273 2.0273 2.0868 2.0868 2.9918 2.9918 3.0300 3.0300 4.0626 4.0626 4.0892 4.0892 4.8075 4.8075 4.8232 4.8232 5.3161 5.3161 5.3662 5.3662 5.4122 5.4122 5.4467 5.4467 5.5390 5.5390 5.5866 5.5866 5.9727 5.9727 6.0119 6.0119 6.6052 6.6052 6.6471 6.6471 7.5895 7.5895 7.6219 7.6219 10.2230 10.2230 10.2797 10.2797 11.9748 11.9748 12.0506 12.0506 k = 0.3571-0.0000 0.3025 ( 4110 PWs) bands (ev): -6.7118 -6.7118 -6.7110 -6.7110 -3.6864 -3.6864 -3.6833 -3.6833 2.0109 2.0109 2.0710 2.0710 2.9816 2.9816 3.0199 3.0199 4.0555 4.0555 4.0832 4.0832 4.8388 4.8388 4.8512 4.8512 5.3307 5.3307 5.3739 5.3739 5.4066 5.4066 5.4480 5.4480 5.5334 5.5334 5.5821 5.5821 5.9480 5.9480 5.9929 5.9929 6.5365 6.5365 6.5784 6.5784 7.5867 7.5867 7.6219 7.6219 10.2331 10.2331 10.2850 10.2850 11.9444 11.9444 12.0266 12.0266 k = 0.3690-0.0000 0.3025 ( 4100 PWs) bands (ev): -6.6973 -6.6973 -6.6965 -6.6965 -3.6848 -3.6848 -3.6816 -3.6816 1.9927 1.9927 2.0528 2.0528 2.9770 2.9770 3.0148 3.0148 4.0483 4.0483 4.0774 4.0774 4.8703 4.8703 4.8794 4.8794 5.3407 5.3407 5.3778 5.3778 5.4050 5.4050 5.4496 5.4496 5.5317 5.5317 5.5790 5.5790 5.9218 5.9218 5.9728 5.9728 6.4713 6.4713 6.5141 6.5141 7.5840 7.5840 7.6216 7.6216 10.2411 10.2411 10.2884 10.2884 11.9191 11.9191 12.0074 12.0074 k = 0.3810-0.0000 0.3025 ( 4090 PWs) bands (ev): -6.6837 -6.6837 -6.6828 -6.6828 -3.6833 -3.6833 -3.6801 -3.6801 1.9733 1.9733 2.0332 2.0332 2.9770 2.9770 3.0136 3.0136 4.0409 4.0409 4.0717 4.0717 4.9019 4.9019 4.9075 4.9075 5.3441 5.3441 5.3783 5.3783 5.4087 5.4087 5.4500 5.4500 5.5350 5.5350 5.5779 5.5779 5.8946 5.8946 5.9519 5.9519 6.4098 6.4098 6.4542 6.4542 7.5815 7.5815 7.6210 7.6210 10.2470 10.2470 10.2901 10.2901 11.8984 11.8984 11.9927 11.9927 k = 0.3929-0.0000 0.3025 ( 4090 PWs) bands (ev): -6.6710 -6.6710 -6.6701 -6.6701 -3.6821 -3.6821 -3.6789 -3.6789 1.9536 1.9536 2.0128 2.0128 2.9805 2.9805 3.0157 3.0157 4.0335 4.0335 4.0661 4.0661 4.9333 4.9333 4.9353 4.9353 5.3417 5.3417 5.3761 5.3761 5.4162 5.4162 5.4479 5.4479 5.5436 5.5436 5.5794 5.5794 5.8668 5.8668 5.9304 5.9304 6.3521 6.3521 6.3990 6.3990 7.5791 7.5791 7.6201 7.6201 10.2512 10.2512 10.2905 10.2905 11.8821 11.8821 11.9818 11.9818 k = 0.4048-0.0000 0.3025 ( 4090 PWs) bands (ev): -6.6594 -6.6594 -6.6585 -6.6585 -3.6811 -3.6811 -3.6778 -3.6778 1.9341 1.9341 1.9926 1.9926 2.9866 2.9866 3.0201 3.0201 4.0262 4.0262 4.0607 4.0607 4.9625 4.9625 4.9644 4.9644 5.3361 5.3361 5.3720 5.3720 5.4242 5.4242 5.4438 5.4438 5.5561 5.5561 5.5844 5.5844 5.8390 5.8390 5.9088 5.9088 6.2986 6.2986 6.3483 6.3483 7.5767 7.5767 7.6190 7.6190 10.2540 10.2540 10.2897 10.2897 11.8695 11.8695 11.9743 11.9743 k = 0.4167-0.0000 0.3025 ( 4102 PWs) bands (ev): -6.6489 -6.6489 -6.6480 -6.6480 -3.6802 -3.6802 -3.6769 -3.6769 1.9156 1.9156 1.9733 1.9733 2.9944 2.9944 3.0260 3.0260 4.0190 4.0190 4.0555 4.0555 4.9888 4.9888 4.9947 4.9947 5.3291 5.3291 5.3664 5.3664 5.4302 5.4302 5.4386 5.4386 5.5711 5.5711 5.5934 5.5934 5.8119 5.8119 5.8873 5.8873 6.2493 6.2493 6.3023 6.3023 7.5745 7.5745 7.6177 7.6177 10.2556 10.2556 10.2882 10.2882 11.8601 11.8601 11.9695 11.9695 k = 0.4286-0.0000 0.3025 ( 4104 PWs) bands (ev): -6.6396 -6.6396 -6.6388 -6.6388 -3.6795 -3.6795 -3.6762 -3.6762 1.8985 1.8985 1.9554 1.9554 3.0029 3.0029 3.0328 3.0328 4.0123 4.0123 4.0508 4.0508 5.0139 5.0139 5.0241 5.0241 5.3216 5.3216 5.3595 5.3595 5.4328 5.4328 5.4332 5.4332 5.5872 5.5872 5.6064 5.6064 5.7863 5.7863 5.8665 5.8665 6.2045 6.2045 6.2612 6.2612 7.5724 7.5724 7.6165 7.6165 10.2564 10.2564 10.2863 10.2863 11.8534 11.8534 11.9669 11.9669 k = 0.4405-0.0000 0.3025 ( 4096 PWs) bands (ev): -6.6317 -6.6317 -6.6308 -6.6308 -3.6789 -3.6789 -3.6756 -3.6756 1.8834 1.8834 1.9395 1.9395 3.0114 3.0114 3.0397 3.0397 4.0062 4.0062 4.0465 4.0465 5.0373 5.0373 5.0521 5.0521 5.3142 5.3142 5.3516 5.3516 5.4272 5.4272 5.4335 5.4335 5.6034 5.6034 5.6227 5.6227 5.7631 5.7631 5.8467 5.8467 6.1647 6.1647 6.2250 6.2250 7.5705 7.5705 7.6153 7.6153 10.2565 10.2565 10.2842 10.2842 11.8487 11.8487 11.9658 11.9658 k = 0.4524-0.0000 0.3025 ( 4092 PWs) bands (ev): -6.6251 -6.6251 -6.6242 -6.6242 -3.6785 -3.6785 -3.6751 -3.6751 1.8706 1.8706 1.9260 1.9260 3.0194 3.0194 3.0461 3.0461 4.0009 4.0009 4.0429 4.0429 5.0585 5.0585 5.0779 5.0779 5.3071 5.3071 5.3428 5.3428 5.4221 5.4221 5.4318 5.4318 5.6186 5.6186 5.6411 5.6411 5.7431 5.7431 5.8281 5.8281 6.1301 6.1301 6.1941 6.1941 7.5689 7.5689 7.6142 7.6142 10.2563 10.2563 10.2822 10.2822 11.8457 11.8457 11.9657 11.9657 k = 0.4643-0.0000 0.3025 ( 4106 PWs) bands (ev): -6.6199 -6.6199 -6.6190 -6.6190 -3.6781 -3.6781 -3.6748 -3.6748 1.8603 1.8603 1.9152 1.9152 3.0261 3.0261 3.0516 3.0516 3.9965 3.9965 4.0398 4.0398 5.0766 5.0766 5.1007 5.1007 5.3006 5.3006 5.3336 5.3336 5.4178 5.4178 5.4290 5.4290 5.6317 5.6317 5.6601 5.6601 5.7269 5.7269 5.8110 5.8110 6.1016 6.1016 6.1689 6.1689 7.5676 7.5676 7.6132 7.6132 10.2559 10.2559 10.2803 10.2803 11.8439 11.8439 11.9662 11.9662 k = 0.4762-0.0000 0.3025 ( 4098 PWs) bands (ev): -6.6161 -6.6161 -6.6152 -6.6152 -3.6779 -3.6779 -3.6745 -3.6745 1.8528 1.8528 1.9073 1.9073 3.0313 3.0313 3.0558 3.0558 3.9932 3.9932 4.0376 4.0376 5.0908 5.0908 5.1191 5.1191 5.2952 5.2952 5.3252 5.3252 5.4147 5.4147 5.4261 5.4261 5.6418 5.6418 5.6779 5.6779 5.7152 5.7152 5.7961 5.7961 6.0802 6.0802 6.1503 6.1503 7.5666 7.5666 7.6125 7.6125 10.2555 10.2555 10.2789 10.2789 11.8429 11.8429 11.9669 11.9669 k = 0.4881-0.0000 0.3025 ( 4084 PWs) bands (ev): -6.6139 -6.6139 -6.6129 -6.6129 -3.6778 -3.6778 -3.6744 -3.6744 1.8482 1.8482 1.9025 1.9025 3.0345 3.0345 3.0585 3.0585 3.9913 3.9913 4.0363 4.0363 5.0999 5.0999 5.1314 5.1314 5.2916 5.2916 5.3190 5.3190 5.4127 5.4127 5.4241 5.4241 5.6482 5.6482 5.6917 5.6917 5.7082 5.7082 5.7847 5.7847 6.0669 6.0669 6.1388 6.1388 7.5660 7.5660 7.6121 7.6121 10.2552 10.2552 10.2781 10.2781 11.8424 11.8424 11.9674 11.9674 k = 0.5000-0.0000 0.3025 ( 4072 PWs) bands (ev): -6.6131 -6.6131 -6.6122 -6.6122 -3.6777 -3.6777 -3.6743 -3.6743 1.8467 1.8467 1.9009 1.9009 3.0356 3.0356 3.0594 3.0594 3.9906 3.9906 4.0359 4.0359 5.1030 5.1030 5.1358 5.1358 5.2904 5.2904 5.3168 5.3168 5.4121 5.4121 5.4234 5.4234 5.6504 5.6504 5.6972 5.6972 5.7059 5.7059 5.7801 5.7801 6.0624 6.0624 6.1349 6.1349 7.5659 7.5659 7.6120 7.6120 10.2551 10.2551 10.2778 10.2778 11.8422 11.8422 11.9676 11.9676 k = 0.5000-0.0000 0.3025 ( 4072 PWs) bands (ev): -6.6131 -6.6131 -6.6122 -6.6122 -3.6777 -3.6777 -3.6743 -3.6743 1.8467 1.8467 1.9009 1.9009 3.0356 3.0356 3.0594 3.0594 3.9906 3.9906 4.0359 4.0359 5.1030 5.1030 5.1358 5.1358 5.2904 5.2904 5.3168 5.3168 5.4121 5.4121 5.4234 5.4234 5.6504 5.6504 5.6972 5.6972 5.7059 5.7059 5.7801 5.7801 6.0624 6.0624 6.1349 6.1349 7.5659 7.5659 7.6120 7.6120 10.2551 10.2551 10.2778 10.2778 11.8422 11.8422 11.9676 11.9676 k = 0.5000 0.0117 0.3025 ( 4080 PWs) bands (ev): -6.6127 -6.6127 -6.6118 -6.6118 -3.6784 -3.6784 -3.6751 -3.6751 1.8450 1.8450 1.8989 1.8989 3.0395 3.0395 3.0626 3.0626 3.9885 3.9885 4.0341 4.0341 5.0939 5.0939 5.1285 5.1285 5.2970 5.2970 5.3197 5.3197 5.4133 5.4133 5.4238 5.4238 5.6503 5.6503 5.6972 5.6972 5.7046 5.7046 5.7756 5.7756 6.0686 6.0686 6.1388 6.1388 7.5692 7.5692 7.6155 7.6155 10.2570 10.2570 10.2800 10.2800 11.8356 11.8356 11.9600 11.9600 k = 0.5000 0.0234 0.3025 ( 4084 PWs) bands (ev): -6.6115 -6.6115 -6.6106 -6.6106 -3.6805 -3.6805 -3.6772 -3.6772 1.8400 1.8400 1.8930 1.8930 3.0510 3.0510 3.0723 3.0723 3.9824 3.9824 4.0289 4.0289 5.0700 5.0700 5.1085 5.1085 5.3132 5.3132 5.3266 5.3266 5.4171 5.4171 5.4252 5.4252 5.6502 5.6502 5.6971 5.6971 5.7013 5.7013 5.7634 5.7634 6.0863 6.0863 6.1503 6.1503 7.5793 7.5793 7.6260 7.6260 10.2628 10.2628 10.2865 10.2865 11.8163 11.8163 11.9378 11.9378 k = 0.5000 0.0350 0.3025 ( 4100 PWs) bands (ev): -6.6095 -6.6095 -6.6085 -6.6085 -3.6840 -3.6840 -3.6806 -3.6806 1.8321 1.8321 1.8835 1.8835 3.0697 3.0697 3.0878 3.0878 3.9722 3.9722 4.0202 4.0202 5.0371 5.0371 5.0798 5.0798 5.3333 5.3333 5.3346 5.3346 5.4227 5.4227 5.4276 5.4276 5.6495 5.6495 5.6965 5.6965 5.6967 5.6967 5.7461 5.7461 6.1131 6.1131 6.1688 6.1688 7.5957 7.5957 7.6432 7.6432 10.2723 10.2723 10.2972 10.2972 11.7855 11.7855 11.9025 11.9025 k = 0.5000 0.0467 0.3025 ( 4108 PWs) bands (ev): -6.6067 -6.6067 -6.6057 -6.6057 -3.6888 -3.6888 -3.6855 -3.6855 1.8217 1.8217 1.8712 1.8712 3.0947 3.0947 3.1085 3.1085 3.9578 3.9578 4.0081 4.0081 4.9997 4.9997 5.0459 5.0459 5.3414 5.3414 5.3532 5.3532 5.4296 5.4296 5.4316 5.4316 5.6480 5.6480 5.6923 5.6923 5.6944 5.6944 5.7273 5.7273 6.1466 6.1466 6.1935 6.1935 7.6178 7.6178 7.6665 7.6665 10.2850 10.2850 10.3118 10.3118 11.7453 11.7453 11.8564 11.8564 k = 0.5000 0.0584 0.3025 ( 4108 PWs) bands (ev): -6.6031 -6.6031 -6.6022 -6.6022 -3.6949 -3.6949 -3.6916 -3.6916 1.8095 1.8095 1.8566 1.8566 3.1251 3.1251 3.1334 3.1334 3.9393 3.9393 3.9927 3.9927 4.9604 4.9604 5.0093 5.0093 5.3463 5.3463 5.3701 5.3701 5.4365 5.4365 5.4378 5.4378 5.6451 5.6451 5.6863 5.6863 5.6893 5.6893 5.7132 5.7132 6.1854 6.1854 6.2238 6.2238 7.6451 7.6451 7.6950 7.6950 10.3004 10.3004 10.3296 10.3296 11.6981 11.6981 11.8021 11.8021 k = 0.5000 0.0701 0.3025 ( 4112 PWs) bands (ev): -6.5988 -6.5988 -6.5979 -6.5979 -3.7023 -3.7023 -3.6991 -3.6991 1.7959 1.7959 1.8406 1.8406 3.1597 3.1597 3.1613 3.1613 3.9168 3.9168 3.9742 3.9742 4.9210 4.9210 4.9717 4.9717 5.3492 5.3492 5.3824 5.3824 5.4429 5.4429 5.4467 5.4467 5.6409 5.6409 5.6689 5.6689 5.6883 5.6883 5.7083 5.7083 6.2281 6.2281 6.2587 6.2587 7.6765 7.6765 7.7281 7.7281 10.3175 10.3175 10.3499 10.3499 11.6467 11.6467 11.7428 11.7428 k = 0.5000 0.0817 0.3025 ( 4116 PWs) bands (ev): -6.5937 -6.5937 -6.5928 -6.5928 -3.7109 -3.7109 -3.7077 -3.7077 1.7817 1.7817 1.8239 1.8239 3.1908 3.1908 3.1970 3.1970 3.8906 3.8906 3.9533 3.9533 4.8826 4.8826 4.9345 4.9345 5.3499 5.3499 5.3900 5.3900 5.4484 5.4484 5.4581 5.4581 5.6358 5.6358 5.6482 5.6482 5.6893 5.6893 5.7077 5.7077 6.2742 6.2742 6.2977 6.2977 7.7113 7.7113 7.7646 7.7646 10.3350 10.3350 10.3715 10.3715 11.5943 11.5943 11.6816 11.6816 k = 0.5000 0.0934 0.3025 ( 4112 PWs) bands (ev): -6.5880 -6.5880 -6.5872 -6.5872 -3.7206 -3.7206 -3.7175 -3.7175 1.7676 1.7676 1.8072 1.8072 3.2200 3.2200 3.2354 3.2354 3.8616 3.8616 3.9310 3.9310 4.8462 4.8462 4.8987 4.8987 5.3486 5.3486 5.3934 5.3934 5.4532 5.4532 5.4709 5.4709 5.6274 5.6274 5.6305 5.6305 5.6917 5.6917 5.7085 5.7085 6.3232 6.3232 6.3404 6.3404 7.7484 7.7484 7.8038 7.8038 10.3512 10.3512 10.3927 10.3927 11.5443 11.5443 11.6220 11.6220 k = 0.5000 0.1051 0.3025 ( 4108 PWs) bands (ev): -6.5817 -6.5817 -6.5808 -6.5808 -3.7314 -3.7314 -3.7284 -3.7284 1.7540 1.7540 1.7912 1.7912 3.2470 3.2470 3.2727 3.2727 3.8312 3.8312 3.9085 3.9085 4.8124 4.8124 4.8650 4.8650 5.3450 5.3450 5.3937 5.3937 5.4576 5.4576 5.4839 5.4839 5.6080 5.6080 5.6256 5.6256 5.6950 5.6950 5.7099 5.7099 6.3749 6.3749 6.3864 6.3864 7.7870 7.7870 7.8445 7.8445 10.3638 10.3638 10.4113 10.4113 11.5005 11.5005 11.5678 11.5678 k = 0.5000 0.1168 0.3025 ( 4104 PWs) bands (ev): -6.5748 -6.5748 -6.5739 -6.5739 -3.7432 -3.7432 -3.7403 -3.7403 1.7414 1.7414 1.7763 1.7763 3.2690 3.2690 3.3059 3.3059 3.8020 3.8020 3.8881 3.8881 4.7816 4.7816 4.8340 4.8340 5.3393 5.3393 5.3912 5.3912 5.4622 5.4622 5.4966 5.4966 5.5904 5.5904 5.6212 5.6212 5.6988 5.6988 5.7118 5.7118 6.4289 6.4289 6.4353 6.4353 7.8262 7.8262 7.8858 7.8858 10.3699 10.3699 10.4242 10.4242 11.4669 11.4669 11.5231 11.5231 k = 0.5000 0.1284 0.3025 ( 4096 PWs) bands (ev): -6.5673 -6.5673 -6.5665 -6.5665 -3.7559 -3.7559 -3.7531 -3.7531 1.7304 1.7304 1.7630 1.7630 3.2831 3.2831 3.3309 3.3309 3.7777 3.7777 3.8724 3.8724 4.7539 4.7539 4.8057 4.8057 5.3317 5.3317 5.3864 5.3864 5.4670 5.4670 5.5085 5.5085 5.5752 5.5752 5.6175 5.6175 5.7030 5.7030 5.7141 5.7141 6.4851 6.4851 6.4868 6.4868 7.8651 7.8651 7.9270 7.9270 10.3668 10.3668 10.4282 10.4282 11.4471 11.4471 11.4921 11.4921 k = 0.5000 0.1401 0.3025 ( 4096 PWs) bands (ev): -6.5594 -6.5594 -6.5585 -6.5585 -3.7694 -3.7694 -3.7666 -3.7666 1.7213 1.7213 1.7517 1.7517 3.2865 3.2865 3.3424 3.3424 3.7636 3.7636 3.8641 3.8641 4.7295 4.7295 4.7804 4.7804 5.3225 5.3225 5.3793 5.3793 5.4721 5.4721 5.5191 5.5191 5.5627 5.5627 5.6145 5.6145 5.7072 5.7072 5.7166 5.7166 6.5407 6.5407 6.5433 6.5433 7.9031 7.9031 7.9673 7.9673 10.3521 10.3521 10.4203 10.4203 11.4442 11.4442 11.4787 11.4787 k = 0.5000 0.1518 0.3025 ( 4104 PWs) bands (ev): -6.5510 -6.5510 -6.5502 -6.5502 -3.7835 -3.7835 -3.7809 -3.7809 1.7145 1.7145 1.7429 1.7429 3.2770 3.2770 3.3361 3.3361 3.7639 3.7639 3.8655 3.8655 4.7079 4.7079 4.7579 4.7579 5.3120 5.3120 5.3701 5.3701 5.4774 5.4774 5.5271 5.5271 5.5544 5.5544 5.6121 5.6121 5.7115 5.7115 5.7196 5.7196 6.5969 6.5969 6.6034 6.6034 7.9394 7.9394 8.0060 8.0060 10.3246 10.3246 10.3985 10.3985 11.4600 11.4600 11.4852 11.4852 k = 0.5000 0.1635 0.3025 ( 4104 PWs) bands (ev): -6.5423 -6.5423 -6.5416 -6.5416 -3.7982 -3.7982 -3.7957 -3.7957 1.7101 1.7101 1.7366 1.7366 3.2541 3.2541 3.3111 3.3111 3.7798 3.7798 3.8769 3.8769 4.6892 4.6892 4.7380 4.7380 5.3007 5.3007 5.3593 5.3593 5.4825 5.4825 5.5285 5.5285 5.5539 5.5539 5.6105 5.6105 5.7159 5.7159 5.7230 5.7230 6.6550 6.6550 6.6653 6.6653 7.9737 7.9737 8.0426 8.0426 10.2848 10.2848 10.3627 10.3627 11.4944 11.4944 11.5120 11.5120 k = 0.5000 0.1751 0.3025 ( 4100 PWs) bands (ev): -6.5334 -6.5334 -6.5326 -6.5326 -3.8133 -3.8133 -3.8109 -3.8109 1.7085 1.7085 1.7332 1.7332 3.2191 3.2191 3.2704 3.2704 3.8084 3.8084 3.8976 3.8976 4.6728 4.6728 4.7204 4.7204 5.2890 5.2890 5.3472 5.3472 5.4873 5.4873 5.5239 5.5239 5.5604 5.5604 5.6097 5.6097 5.7204 5.7204 5.7268 5.7268 6.7150 6.7150 6.7288 6.7288 8.0054 8.0054 8.0767 8.0767 10.2341 10.2341 10.3142 10.3142 11.5459 11.5459 11.5580 11.5580 k = 0.5000 0.1868 0.3025 ( 4104 PWs) bands (ev): -6.5242 -6.5242 -6.5235 -6.5235 -3.8287 -3.8287 -3.8264 -3.8264 1.7098 1.7098 1.7328 1.7328 3.1740 3.1740 3.2185 3.2185 3.8455 3.8455 3.9256 3.9256 4.6585 4.6585 4.7047 4.7047 5.2771 5.2771 5.3343 5.3343 5.4912 5.4912 5.5177 5.5177 5.5691 5.5691 5.6098 5.6098 5.7252 5.7252 5.7311 5.7311 6.7765 6.7765 6.7936 6.7936 8.0343 8.0343 8.1078 8.1078 10.1748 10.1748 10.2556 10.2556 11.6124 11.6124 11.6205 11.6205 k = 0.5000 0.1985 0.3025 ( 4112 PWs) bands (ev): -6.5150 -6.5150 -6.5143 -6.5143 -3.8442 -3.8442 -3.8420 -3.8420 1.7142 1.7142 1.7356 1.7356 3.1212 3.1212 3.1590 3.1590 3.8876 3.8876 3.9587 3.9587 4.6460 4.6460 4.6907 4.6907 5.2653 5.2653 5.3209 5.3209 5.4941 5.4941 5.5115 5.5115 5.5780 5.5780 5.6108 5.6108 5.7302 5.7302 5.7360 5.7360 6.8393 6.8393 6.8595 6.8595 8.0601 8.0601 8.1358 8.1358 10.1091 10.1091 10.1894 10.1894 11.6915 11.6915 11.6967 11.6967 k = 0.5000 0.2102 0.3025 ( 4116 PWs) bands (ev): -6.5057 -6.5057 -6.5051 -6.5051 -3.8597 -3.8597 -3.8576 -3.8576 1.7217 1.7217 1.7416 1.7416 3.0627 3.0627 3.0945 3.0945 3.9325 3.9325 3.9950 3.9950 4.6348 4.6348 4.6781 4.6781 5.2538 5.2538 5.3073 5.3073 5.4958 5.4958 5.5055 5.5055 5.5866 5.5866 5.6127 5.6127 5.7355 5.7355 5.7413 5.7413 6.9031 6.9031 6.9264 6.9264 8.0828 8.0828 8.1605 8.1605 10.0392 10.0392 10.1182 10.1182 11.7806 11.7806 11.7839 11.7839 k = 0.5000 0.2218 0.3025 ( 4112 PWs) bands (ev): -6.4966 -6.4966 -6.4959 -6.4959 -3.8750 -3.8750 -3.8731 -3.8731 1.7325 1.7325 1.7510 1.7510 3.0002 3.0002 3.0268 3.0268 3.9785 3.9785 4.0333 4.0333 4.6248 4.6248 4.6664 4.6664 5.2428 5.2428 5.2938 5.2938 5.4962 5.4962 5.4997 5.4997 5.5948 5.5948 5.6154 5.6154 5.7413 5.7413 5.7472 5.7472 6.9678 6.9678 6.9939 6.9939 8.1022 8.1022 8.1818 8.1818 9.9668 9.9668 10.0439 10.0439 11.8776 11.8776 11.8794 11.8794 k = 0.5000 0.2335 0.3025 ( 4108 PWs) bands (ev): -6.4875 -6.4875 -6.4870 -6.4870 -3.8900 -3.8900 -3.8882 -3.8882 1.7467 1.7467 1.7638 1.7638 2.9351 2.9351 2.9572 2.9572 4.0246 4.0246 4.0723 4.0723 4.6156 4.6156 4.6555 4.6555 5.2324 5.2324 5.2807 5.2807 5.4942 5.4942 5.4954 5.4954 5.6023 5.6023 5.6186 5.6186 5.7476 5.7476 5.7535 5.7535 7.0328 7.0328 7.0616 7.0616 8.1184 8.1184 8.1997 8.1997 9.8935 9.8935 9.9682 9.9682 11.9803 11.9803 11.9811 11.9811 k = 0.5000 0.2452 0.3025 ( 4112 PWs) bands (ev): -6.4788 -6.4788 -6.4782 -6.4782 -3.9045 -3.9045 -3.9029 -3.9029 1.7642 1.7642 1.7800 1.7800 2.8683 2.8683 2.8866 2.8866 4.0699 4.0699 4.1111 4.1111 4.6070 4.6070 4.6450 4.6450 5.2227 5.2227 5.2680 5.2680 5.4889 5.4889 5.4935 5.4935 5.6091 5.6091 5.6220 5.6220 5.7542 5.7542 5.7602 5.7602 7.0979 7.0979 7.1292 7.1292 8.1314 8.1314 8.2140 8.2140 9.8207 9.8207 9.8926 9.8926 12.0868 12.0868 12.0868 12.0868 k = 0.5000 0.2569 0.3025 ( 4108 PWs) bands (ev): -6.4704 -6.4704 -6.4699 -6.4699 -3.9184 -3.9184 -3.9169 -3.9169 1.7850 1.7850 1.7997 1.7997 2.8007 2.8007 2.8156 2.8156 4.1141 4.1141 4.1493 4.1493 4.5987 4.5987 4.6348 4.6348 5.2138 5.2138 5.2558 5.2558 5.4838 5.4838 5.4908 5.4908 5.6151 5.6151 5.6256 5.6256 5.7612 5.7612 5.7673 5.7673 7.1625 7.1625 7.1961 7.1961 8.1414 8.1414 8.2249 8.2249 9.7493 9.7493 9.8181 9.8181 12.1944 12.1944 12.1951 12.1951 k = 0.5000 0.2685 0.3025 ( 4108 PWs) bands (ev): -6.4625 -6.4625 -6.4620 -6.4620 -3.9315 -3.9315 -3.9301 -3.9301 1.8093 1.8093 1.8227 1.8227 2.7328 2.7328 2.7449 2.7449 4.1565 4.1565 4.1862 4.1862 4.5905 4.5905 4.6246 4.6246 5.2058 5.2058 5.2444 5.2444 5.4790 5.4790 5.4874 5.4874 5.6205 5.6205 5.6289 5.6289 5.7684 5.7684 5.7744 5.7744 7.2262 7.2262 7.2617 7.2617 8.1486 8.1486 8.2323 8.2323 9.6807 9.6807 9.7459 9.7459 12.3019 12.3019 12.3030 12.3030 k = 0.5000 0.2802 0.3025 ( 4116 PWs) bands (ev): -6.4551 -6.4551 -6.4546 -6.4546 -3.9437 -3.9437 -3.9425 -3.9425 1.8369 1.8369 1.8492 1.8492 2.6653 2.6653 2.6749 2.6749 4.1969 4.1969 4.2215 4.2215 4.5823 4.5823 4.6141 4.6141 5.1987 5.1987 5.2336 5.2336 5.4745 5.4745 5.4836 5.4836 5.6250 5.6250 5.6320 5.6320 5.7756 5.7756 5.7814 5.7814 7.2883 7.2883 7.3253 7.3253 8.1532 8.1532 8.2362 8.2362 9.6157 9.6157 9.6769 9.6769 12.4070 12.4070 12.4084 12.4084 k = 0.5000 0.2919 0.3025 ( 4120 PWs) bands (ev): -6.4483 -6.4483 -6.4479 -6.4479 -3.9548 -3.9548 -3.9537 -3.9537 1.8679 1.8679 1.8790 1.8790 2.5984 2.5984 2.6059 2.6059 4.2351 4.2351 4.2549 4.2549 4.5739 4.5739 4.6033 4.6033 5.1926 5.1926 5.2236 5.2236 5.4705 5.4705 5.4796 5.4796 5.6290 5.6290 5.6347 5.6347 5.7828 5.7828 5.7881 5.7881 7.3481 7.3481 7.3860 7.3860 8.1557 8.1557 8.2368 8.2368 9.5556 9.5556 9.6121 9.6121 12.5075 12.5075 12.5091 12.5091 k = 0.5000 0.3036 0.3025 ( 4120 PWs) bands (ev): -6.4422 -6.4422 -6.4419 -6.4419 -3.9646 -3.9646 -3.9637 -3.9637 1.9021 1.9021 1.9121 1.9121 2.5327 2.5327 2.5382 2.5382 4.2706 4.2706 4.2860 4.2860 4.5653 4.5653 4.5920 4.5920 5.1875 5.1875 5.2146 5.2146 5.4669 5.4669 5.4756 5.4756 5.6323 5.6323 5.6369 5.6369 5.7896 5.7896 5.7944 5.7944 7.4049 7.4049 7.4427 7.4427 8.1566 8.1566 8.2341 8.2341 9.5012 9.5012 9.5524 9.5524 12.6012 12.6012 12.6027 12.6027 k = 0.5000 0.3152 0.3025 ( 4112 PWs) bands (ev): -6.4370 -6.4370 -6.4367 -6.4367 -3.9732 -3.9732 -3.9724 -3.9724 1.9395 1.9395 1.9485 1.9485 2.4685 2.4685 2.4721 2.4721 4.3032 4.3032 4.3145 4.3145 4.5566 4.5566 4.5803 4.5803 5.1836 5.1836 5.2065 5.2065 5.4639 5.4639 5.4718 5.4718 5.6351 5.6351 5.6388 5.6388 5.7958 5.7958 5.8001 5.8001 7.4575 7.4575 7.4940 7.4940 8.1565 8.1565 8.2283 8.2283 9.4538 9.4538 9.4987 9.4987 12.6855 12.6855 12.6868 12.6868 k = 0.5000 0.3269 0.3025 ( 4116 PWs) bands (ev): -6.4325 -6.4325 -6.4323 -6.4323 -3.9803 -3.9803 -3.9797 -3.9797 1.9801 1.9801 1.9880 1.9880 2.4059 2.4059 2.4079 2.4079 4.3325 4.3325 4.3400 4.3400 4.5479 4.5479 4.5682 4.5682 5.1808 5.1808 5.1992 5.1992 5.4616 5.4616 5.4683 5.4683 5.6373 5.6373 5.6402 5.6402 5.8013 5.8013 5.8049 5.8049 7.5049 7.5049 7.5384 7.5384 8.1563 8.1563 8.2197 8.2197 9.4144 9.4144 9.4519 9.4519 12.7584 12.7584 12.7593 12.7593 k = 0.5000 0.3386 0.3025 ( 4124 PWs) bands (ev): -6.4290 -6.4290 -6.4289 -6.4289 -3.9860 -3.9860 -3.9855 -3.9855 2.0238 2.0238 2.0305 2.0305 2.3452 2.3452 2.3458 2.3458 4.3576 4.3576 4.3620 4.3620 4.5396 4.5396 4.5561 4.5561 5.1791 5.1791 5.1931 5.1931 5.4599 5.4599 5.4651 5.4651 5.6391 5.6391 5.6412 5.6412 5.8059 5.8059 5.8086 5.8086 7.5458 7.5458 7.5741 7.5741 8.1571 8.1571 8.2090 8.2090 9.3838 9.3838 9.4131 9.4131 12.8176 12.8176 12.8181 12.8181 k = 0.5000 0.3503 0.3025 ( 4132 PWs) bands (ev): -6.4265 -6.4265 -6.4264 -6.4264 -3.9900 -3.9900 -3.9897 -3.9897 2.0704 2.0704 2.0760 2.0760 2.2860 2.2860 2.2867 2.2867 4.3776 4.3776 4.3796 4.3796 4.5328 4.5328 4.5447 4.5447 5.1785 5.1785 5.1879 5.1879 5.4589 5.4589 5.4625 5.4625 5.6404 5.6404 5.6418 5.6418 5.8094 5.8094 5.8112 5.8112 7.5784 7.5784 7.5992 7.5992 8.1599 8.1599 8.1970 8.1970 9.3630 9.3630 9.3831 9.3831 12.8613 12.8613 12.8615 12.8615 k = 0.5000 0.3620 0.3025 ( 4132 PWs) bands (ev): -6.4250 -6.4250 -6.4249 -6.4249 -3.9924 -3.9924 -3.9923 -3.9923 2.1196 2.1196 2.1240 2.1240 2.2288 2.2288 2.2308 2.2308 4.3907 4.3907 4.3914 4.3914 4.5290 4.5290 4.5354 4.5354 5.1792 5.1792 5.1839 5.1839 5.4587 5.4587 5.4605 5.4605 5.6413 5.6413 5.6420 5.6420 5.8117 5.8117 5.8126 5.8126 7.6014 7.6014 7.6124 7.6124 8.1655 8.1655 8.1849 8.1849 9.3524 9.3524 9.3626 9.3626 12.8882 12.8882 12.8882 12.8882 k = 0.5000 0.3736 0.3025 ( 4136 PWs) bands (ev): -6.4244 -6.4244 -6.4244 -6.4244 -3.9932 -3.9932 -3.9932 -3.9932 2.1646 2.1646 2.1646 2.1646 2.1843 2.1843 2.1843 2.1843 4.3955 4.3955 4.3955 4.3955 4.5297 4.5297 4.5297 4.5297 5.1810 5.1810 5.1810 5.1810 5.4592 5.4592 5.4592 5.4592 5.6418 5.6418 5.6418 5.6418 5.8128 5.8128 5.8128 5.8128 7.6131 7.6131 7.6131 7.6131 8.1741 8.1741 8.1741 8.1741 9.3522 9.3522 9.3522 9.3522 12.8972 12.8972 12.8972 12.8972 k = 0.5000 0.3736 0.3025 ( 4136 PWs) bands (ev): -6.4244 -6.4244 -6.4244 -6.4244 -3.9932 -3.9932 -3.9932 -3.9932 2.1646 2.1646 2.1646 2.1646 2.1843 2.1843 2.1843 2.1843 4.3955 4.3955 4.3955 4.3955 4.5297 4.5297 4.5297 4.5297 5.1810 5.1810 5.1810 5.1810 5.4592 5.4592 5.4592 5.4592 5.6418 5.6418 5.6418 5.6418 5.8128 5.8128 5.8128 5.8128 7.6131 7.6131 7.6131 7.6131 8.1741 8.1741 8.1741 8.1741 9.3522 9.3522 9.3522 9.3522 12.8972 12.8972 12.8972 12.8972 k = 0.4881 0.3736 0.3025 ( 4148 PWs) bands (ev): -6.4249 -6.4249 -6.4249 -6.4249 -3.9941 -3.9941 -3.9941 -3.9941 2.1662 2.1662 2.1662 2.1662 2.1859 2.1859 2.1859 2.1859 4.3958 4.3958 4.3958 4.3958 4.5301 4.5301 4.5301 4.5301 5.1815 5.1815 5.1815 5.1815 5.4592 5.4592 5.4592 5.4592 5.6416 5.6416 5.6416 5.6416 5.8125 5.8125 5.8125 5.8125 7.6121 7.6121 7.6121 7.6121 8.1731 8.1731 8.1731 8.1731 9.3551 9.3551 9.3551 9.3551 12.8965 12.8965 12.8965 12.8965 k = 0.4762 0.3736 0.3025 ( 4136 PWs) bands (ev): -6.4263 -6.4263 -6.4263 -6.4263 -3.9970 -3.9970 -3.9970 -3.9970 2.1708 2.1708 2.1708 2.1708 2.1907 2.1907 2.1907 2.1907 4.3967 4.3967 4.3967 4.3967 4.5313 4.5313 4.5313 4.5313 5.1832 5.1832 5.1832 5.1832 5.4593 5.4593 5.4593 5.4593 5.6411 5.6411 5.6411 5.6411 5.8118 5.8118 5.8118 5.8118 7.6094 7.6094 7.6094 7.6094 8.1702 8.1702 8.1702 8.1702 9.3636 9.3636 9.3636 9.3636 12.8943 12.8943 12.8943 12.8943 k = 0.4643 0.3736 0.3025 ( 4136 PWs) bands (ev): -6.4286 -6.4286 -6.4286 -6.4286 -4.0017 -4.0017 -4.0017 -4.0017 2.1785 2.1785 2.1785 2.1785 2.1985 2.1985 2.1985 2.1985 4.3982 4.3982 4.3982 4.3982 4.5334 4.5334 4.5334 4.5334 5.1860 5.1860 5.1860 5.1860 5.4594 5.4594 5.4594 5.4594 5.6402 5.6402 5.6402 5.6402 5.8104 5.8104 5.8104 5.8104 7.6049 7.6049 7.6049 7.6049 8.1654 8.1654 8.1654 8.1654 9.3776 9.3776 9.3776 9.3776 12.8906 12.8906 12.8906 12.8906 k = 0.4524 0.3736 0.3025 ( 4124 PWs) bands (ev): -6.4318 -6.4318 -6.4318 -6.4318 -4.0082 -4.0082 -4.0082 -4.0082 2.1891 2.1891 2.1891 2.1891 2.2093 2.2093 2.2093 2.2093 4.4003 4.4003 4.4003 4.4003 4.5365 4.5365 4.5365 4.5365 5.1901 5.1901 5.1901 5.1901 5.4595 5.4595 5.4595 5.4595 5.6392 5.6392 5.6392 5.6392 5.8087 5.8087 5.8087 5.8087 7.5988 7.5988 7.5988 7.5988 8.1587 8.1587 8.1587 8.1587 9.3970 9.3970 9.3970 9.3970 12.8857 12.8857 12.8857 12.8857 k = 0.4405 0.3736 0.3025 ( 4120 PWs) bands (ev): -6.4358 -6.4358 -6.4358 -6.4358 -4.0165 -4.0165 -4.0165 -4.0165 2.2026 2.2026 2.2026 2.2026 2.2229 2.2229 2.2229 2.2229 4.4028 4.4028 4.4028 4.4028 4.5407 4.5407 4.5407 4.5407 5.1953 5.1953 5.1953 5.1953 5.4597 5.4597 5.4597 5.4597 5.6378 5.6378 5.6378 5.6378 5.8065 5.8065 5.8065 5.8065 7.5911 7.5911 7.5911 7.5911 8.1501 8.1501 8.1501 8.1501 9.4214 9.4214 9.4214 9.4214 12.8795 12.8795 12.8795 12.8795 k = 0.4286 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.4407 -6.4407 -6.4407 -6.4407 -4.0265 -4.0265 -4.0265 -4.0265 2.2189 2.2189 2.2189 2.2189 2.2392 2.2392 2.2392 2.2392 4.4056 4.4056 4.4056 4.4056 4.5461 4.5461 4.5461 4.5461 5.2018 5.2018 5.2018 5.2018 5.4598 5.4598 5.4598 5.4598 5.6363 5.6363 5.6363 5.6363 5.8040 5.8040 5.8040 5.8040 7.5821 7.5821 7.5821 7.5821 8.1397 8.1397 8.1397 8.1397 9.4505 9.4505 9.4505 9.4505 12.8723 12.8723 12.8723 12.8723 k = 0.4167 0.3736 0.3025 ( 4120 PWs) bands (ev): -6.4465 -6.4465 -6.4465 -6.4465 -4.0381 -4.0381 -4.0381 -4.0381 2.2377 2.2377 2.2377 2.2377 2.2581 2.2581 2.2581 2.2581 4.4087 4.4087 4.4087 4.4087 4.5531 4.5531 4.5531 4.5531 5.2095 5.2095 5.2095 5.2095 5.4599 5.4599 5.4599 5.4599 5.6347 5.6347 5.6347 5.6347 5.8013 5.8013 5.8013 5.8013 7.5720 7.5720 7.5720 7.5720 8.1274 8.1274 8.1274 8.1274 9.4841 9.4841 9.4841 9.4841 12.8643 12.8643 12.8643 12.8643 k = 0.4048 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.4529 -6.4529 -6.4529 -6.4529 -4.0512 -4.0512 -4.0512 -4.0512 2.2589 2.2589 2.2589 2.2589 2.2792 2.2792 2.2792 2.2792 4.4119 4.4119 4.4119 4.4119 4.5618 4.5618 4.5618 4.5618 5.2186 5.2186 5.2186 5.2186 5.4599 5.4599 5.4599 5.4599 5.6331 5.6331 5.6331 5.6331 5.7986 5.7986 5.7986 5.7986 7.5609 7.5609 7.5609 7.5609 8.1134 8.1134 8.1134 8.1134 9.5215 9.5215 9.5215 9.5215 12.8555 12.8555 12.8555 12.8555 k = 0.3929 0.3736 0.3025 ( 4112 PWs) bands (ev): -6.4602 -6.4602 -6.4602 -6.4602 -4.0657 -4.0657 -4.0657 -4.0657 2.2822 2.2822 2.2822 2.2822 2.3024 2.3024 2.3024 2.3024 4.4151 4.4151 4.4151 4.4151 4.5725 4.5725 4.5725 4.5725 5.2290 5.2290 5.2290 5.2290 5.4599 5.4599 5.4599 5.4599 5.6318 5.6318 5.6318 5.6318 5.7960 5.7960 5.7960 5.7960 7.5491 7.5491 7.5491 7.5491 8.0977 8.0977 8.0977 8.0977 9.5625 9.5625 9.5625 9.5625 12.8463 12.8463 12.8463 12.8463 k = 0.3810 0.3736 0.3025 ( 4112 PWs) bands (ev): -6.4681 -6.4681 -6.4681 -6.4681 -4.0815 -4.0815 -4.0815 -4.0815 2.3071 2.3071 2.3071 2.3071 2.3277 2.3277 2.3277 2.3277 4.4181 4.4181 4.4181 4.4181 4.5854 4.5854 4.5854 4.5854 5.2407 5.2407 5.2407 5.2407 5.4598 5.4598 5.4598 5.4598 5.6308 5.6308 5.6308 5.6308 5.7936 5.7936 5.7936 5.7936 7.5366 7.5366 7.5366 7.5366 8.0804 8.0804 8.0804 8.0804 9.6065 9.6065 9.6065 9.6065 12.8367 12.8367 12.8367 12.8367 k = 0.3690 0.3736 0.3025 ( 4104 PWs) bands (ev): -6.4766 -6.4766 -6.4766 -6.4766 -4.0985 -4.0985 -4.0985 -4.0985 2.3332 2.3332 2.3332 2.3332 2.3550 2.3550 2.3550 2.3550 4.4207 4.4207 4.4207 4.4207 4.6008 4.6008 4.6008 4.6008 5.2535 5.2535 5.2535 5.2535 5.4597 5.4597 5.4597 5.4597 5.6305 5.6305 5.6305 5.6305 5.7917 5.7917 5.7917 5.7917 7.5237 7.5237 7.5237 7.5237 8.0615 8.0615 8.0615 8.0615 9.6532 9.6532 9.6532 9.6532 12.8270 12.8270 12.8270 12.8270 k = 0.3571 0.3736 0.3025 ( 4108 PWs) bands (ev): -6.4857 -6.4857 -6.4857 -6.4857 -4.1165 -4.1165 -4.1165 -4.1165 2.3598 2.3598 2.3598 2.3598 2.3845 2.3845 2.3845 2.3845 4.4228 4.4228 4.4228 4.4228 4.6189 4.6189 4.6189 4.6189 5.2674 5.2674 5.2674 5.2674 5.4596 5.4596 5.4596 5.4596 5.6309 5.6309 5.6309 5.6309 5.7904 5.7904 5.7904 5.7904 7.5104 7.5104 7.5104 7.5104 8.0412 8.0412 8.0412 8.0412 9.7020 9.7020 9.7020 9.7020 12.8173 12.8173 12.8173 12.8173 k = 0.3452 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.4953 -6.4953 -6.4953 -6.4953 -4.1354 -4.1354 -4.1354 -4.1354 2.3862 2.3862 2.3862 2.3862 2.4160 2.4160 2.4160 2.4160 4.4243 4.4243 4.4243 4.4243 4.6400 4.6400 4.6400 4.6400 5.2820 5.2820 5.2820 5.2820 5.4596 5.4596 5.4596 5.4596 5.6325 5.6325 5.6325 5.6325 5.7900 5.7900 5.7900 5.7900 7.4970 7.4970 7.4970 7.4970 8.0196 8.0196 8.0196 8.0196 9.7524 9.7524 9.7524 9.7524 12.8077 12.8077 12.8077 12.8077 k = 0.3333 0.3736 0.3025 ( 4112 PWs) bands (ev): -6.5054 -6.5054 -6.5054 -6.5054 -4.1551 -4.1551 -4.1551 -4.1551 2.4122 2.4122 2.4122 2.4122 2.4496 2.4496 2.4496 2.4496 4.4251 4.4251 4.4251 4.4251 4.6642 4.6642 4.6642 4.6642 5.2970 5.2970 5.2970 5.2970 5.4599 5.4599 5.4599 5.4599 5.6356 5.6356 5.6356 5.6356 5.7906 5.7906 5.7906 5.7906 7.4835 7.4835 7.4835 7.4835 7.9968 7.9968 7.9968 7.9968 9.8041 9.8041 9.8041 9.8041 12.7983 12.7983 12.7983 12.7983 k = 0.3214 0.3736 0.3025 ( 4112 PWs) bands (ev): -6.5158 -6.5158 -6.5158 -6.5158 -4.1755 -4.1755 -4.1755 -4.1755 2.4373 2.4373 2.4373 2.4373 2.4850 2.4850 2.4850 2.4850 4.4249 4.4249 4.4249 4.4249 4.6918 4.6918 4.6918 4.6918 5.3117 5.3117 5.3117 5.3117 5.4606 5.4606 5.4606 5.4606 5.6407 5.6407 5.6407 5.6407 5.7928 5.7928 5.7928 5.7928 7.4700 7.4700 7.4700 7.4700 7.9729 7.9729 7.9729 7.9729 9.8565 9.8565 9.8565 9.8565 12.7892 12.7892 12.7892 12.7892 k = 0.3095 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.5266 -6.5266 -6.5266 -6.5266 -4.1963 -4.1963 -4.1963 -4.1963 2.4613 2.4613 2.4613 2.4613 2.5218 2.5218 2.5218 2.5218 4.4237 4.4237 4.4237 4.4237 4.7227 4.7227 4.7227 4.7227 5.3254 5.3254 5.3254 5.3254 5.4618 5.4618 5.4618 5.4618 5.6481 5.6481 5.6481 5.6481 5.7968 5.7968 5.7968 5.7968 7.4566 7.4566 7.4566 7.4566 7.9481 7.9481 7.9481 7.9481 9.9092 9.9092 9.9092 9.9092 12.7803 12.7803 12.7803 12.7803 k = 0.2976 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.5377 -6.5377 -6.5377 -6.5377 -4.2175 -4.2175 -4.2175 -4.2175 2.4840 2.4840 2.4840 2.4840 2.5598 2.5598 2.5598 2.5598 4.4214 4.4214 4.4214 4.4214 4.7571 4.7571 4.7571 4.7571 5.3376 5.3376 5.3376 5.3376 5.4637 5.4637 5.4637 5.4637 5.6582 5.6582 5.6582 5.6582 5.8034 5.8034 5.8034 5.8034 7.4433 7.4433 7.4433 7.4433 7.9225 7.9225 7.9225 7.9225 9.9617 9.9617 9.9617 9.9617 12.7717 12.7717 12.7717 12.7717 k = 0.2857 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.5489 -6.5489 -6.5489 -6.5489 -4.2389 -4.2389 -4.2389 -4.2389 2.5052 2.5052 2.5052 2.5052 2.5987 2.5987 2.5987 2.5987 4.4179 4.4179 4.4179 4.4179 4.7947 4.7947 4.7947 4.7947 5.3476 5.3476 5.3476 5.3476 5.4664 5.4664 5.4664 5.4664 5.6709 5.6709 5.6709 5.6709 5.8133 5.8133 5.8133 5.8133 7.4302 7.4302 7.4302 7.4302 7.8963 7.8963 7.8963 7.8963 10.0136 10.0136 10.0136 10.0136 12.7632 12.7632 12.7632 12.7632 k = 0.2738 0.3736 0.3025 ( 4112 PWs) bands (ev): -6.5602 -6.5602 -6.5602 -6.5602 -4.2604 -4.2604 -4.2604 -4.2604 2.5247 2.5247 2.5247 2.5247 2.6383 2.6383 2.6383 2.6383 4.4133 4.4133 4.4133 4.4133 4.8354 4.8354 4.8354 4.8354 5.3551 5.3551 5.3551 5.3551 5.4696 5.4696 5.4696 5.4696 5.6860 5.6860 5.6860 5.6860 5.8275 5.8275 5.8275 5.8275 7.4173 7.4173 7.4173 7.4173 7.8698 7.8698 7.8698 7.8698 10.0645 10.0645 10.0645 10.0645 12.7547 12.7547 12.7547 12.7547 k = 0.2619 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.5717 -6.5717 -6.5717 -6.5717 -4.2820 -4.2820 -4.2820 -4.2820 2.5423 2.5423 2.5423 2.5423 2.6784 2.6784 2.6784 2.6784 4.4074 4.4074 4.4074 4.4074 4.8787 4.8787 4.8787 4.8787 5.3603 5.3603 5.3603 5.3603 5.4732 5.4732 5.4732 5.4732 5.7028 5.7028 5.7028 5.7028 5.8471 5.8471 5.8471 5.8471 7.4046 7.4046 7.4046 7.4046 7.8430 7.8430 7.8430 7.8430 10.1140 10.1140 10.1140 10.1140 12.7459 12.7459 12.7459 12.7459 k = 0.2500 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.5831 -6.5831 -6.5831 -6.5831 -4.3034 -4.3034 -4.3034 -4.3034 2.5581 2.5581 2.5581 2.5581 2.7187 2.7187 2.7187 2.7187 4.4004 4.4004 4.4004 4.4004 4.9242 4.9242 4.9242 4.9242 5.3636 5.3636 5.3636 5.3636 5.4770 5.4770 5.4770 5.4770 5.7206 5.7206 5.7206 5.7206 5.8731 5.8731 5.8731 5.8731 7.3921 7.3921 7.3921 7.3921 7.8162 7.8162 7.8162 7.8162 10.1618 10.1618 10.1618 10.1618 12.7367 12.7367 12.7367 12.7367 k = 0.2381 0.3736 0.3025 ( 4128 PWs) bands (ev): -6.5944 -6.5944 -6.5944 -6.5944 -4.3245 -4.3245 -4.3245 -4.3245 2.5720 2.5720 2.5720 2.5720 2.7591 2.7591 2.7591 2.7591 4.3923 4.3923 4.3923 4.3923 4.9711 4.9711 4.9711 4.9711 5.3654 5.3654 5.3654 5.3654 5.4807 5.4807 5.4807 5.4807 5.7388 5.7388 5.7388 5.7388 5.9057 5.9057 5.9057 5.9057 7.3798 7.3798 7.3798 7.3798 7.7895 7.7895 7.7895 7.7895 10.2075 10.2075 10.2075 10.2075 12.7267 12.7267 12.7267 12.7267 k = 0.2262 0.3736 0.3025 ( 4128 PWs) bands (ev): -6.6056 -6.6056 -6.6056 -6.6056 -4.3453 -4.3453 -4.3453 -4.3453 2.5840 2.5840 2.5840 2.5840 2.7992 2.7992 2.7992 2.7992 4.3831 4.3831 4.3831 4.3831 5.0185 5.0185 5.0185 5.0185 5.3664 5.3664 5.3664 5.3664 5.4844 5.4844 5.4844 5.4844 5.7580 5.7580 5.7580 5.7580 5.9448 5.9448 5.9448 5.9448 7.3677 7.3677 7.3677 7.3677 7.7633 7.7633 7.7633 7.7633 10.2509 10.2509 10.2509 10.2509 12.7156 12.7156 12.7156 12.7156 k = 0.2143 0.3736 0.3025 ( 4132 PWs) bands (ev): -6.6167 -6.6167 -6.6167 -6.6167 -4.3656 -4.3656 -4.3656 -4.3656 2.5943 2.5943 2.5943 2.5943 2.8390 2.8390 2.8390 2.8390 4.3730 4.3730 4.3730 4.3730 5.0652 5.0652 5.0652 5.0652 5.3671 5.3671 5.3671 5.3671 5.4880 5.4880 5.4880 5.4880 5.7786 5.7786 5.7786 5.7786 5.9895 5.9895 5.9895 5.9895 7.3559 7.3559 7.3559 7.3559 7.7377 7.7377 7.7377 7.7377 10.2917 10.2917 10.2917 10.2917 12.7029 12.7029 12.7029 12.7029 k = 0.2024 0.3736 0.3025 ( 4128 PWs) bands (ev): -6.6275 -6.6275 -6.6275 -6.6275 -4.3854 -4.3854 -4.3854 -4.3854 2.6028 2.6028 2.6028 2.6028 2.8782 2.8782 2.8782 2.8782 4.3621 4.3621 4.3621 4.3621 5.1098 5.1098 5.1098 5.1098 5.3681 5.3681 5.3681 5.3681 5.4919 5.4919 5.4919 5.4919 5.8016 5.8016 5.8016 5.8016 6.0389 6.0389 6.0389 6.0389 7.3442 7.3442 7.3442 7.3442 7.7128 7.7128 7.7128 7.7128 10.3297 10.3297 10.3297 10.3297 12.6885 12.6885 12.6885 12.6885 k = 0.1905 0.3736 0.3025 ( 4128 PWs) bands (ev): -6.6379 -6.6379 -6.6379 -6.6379 -4.4045 -4.4045 -4.4045 -4.4045 2.6097 2.6097 2.6097 2.6097 2.9166 2.9166 2.9166 2.9166 4.3504 4.3504 4.3504 4.3504 5.1507 5.1507 5.1507 5.1507 5.3700 5.3700 5.3700 5.3700 5.4960 5.4960 5.4960 5.4960 5.8279 5.8279 5.8279 5.8279 6.0920 6.0920 6.0920 6.0920 7.3328 7.3328 7.3328 7.3328 7.6890 7.6890 7.6890 7.6890 10.3647 10.3647 10.3647 10.3647 12.6719 12.6719 12.6719 12.6719 k = 0.1786 0.3736 0.3025 ( 4124 PWs) bands (ev): -6.6481 -6.6481 -6.6481 -6.6481 -4.4228 -4.4228 -4.4228 -4.4228 2.6152 2.6152 2.6152 2.6152 2.9540 2.9540 2.9540 2.9540 4.3381 4.3381 4.3381 4.3381 5.1863 5.1863 5.1863 5.1863 5.3733 5.3733 5.3733 5.3733 5.5006 5.5006 5.5006 5.5006 5.8584 5.8584 5.8584 5.8584 6.1477 6.1477 6.1477 6.1477 7.3216 7.3216 7.3216 7.3216 7.6664 7.6664 7.6664 7.6664 10.3967 10.3967 10.3967 10.3967 12.6529 12.6529 12.6529 12.6529 k = 0.1667 0.3736 0.3025 ( 4120 PWs) bands (ev): -6.6578 -6.6578 -6.6578 -6.6578 -4.4404 -4.4404 -4.4404 -4.4404 2.6194 2.6194 2.6194 2.6194 2.9903 2.9903 2.9903 2.9903 4.3253 4.3253 4.3253 4.3253 5.2152 5.2152 5.2152 5.2152 5.3785 5.3785 5.3785 5.3785 5.5057 5.5057 5.5057 5.5057 5.8936 5.8936 5.8936 5.8936 6.2052 6.2052 6.2052 6.2052 7.3106 7.3106 7.3106 7.3106 7.6452 7.6452 7.6452 7.6452 10.4256 10.4256 10.4256 10.4256 12.6315 12.6315 12.6315 12.6315 k = 0.1548 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.6670 -6.6670 -6.6670 -6.6670 -4.4570 -4.4570 -4.4570 -4.4570 2.6225 2.6225 2.6225 2.6225 3.0254 3.0254 3.0254 3.0254 4.3122 4.3122 4.3122 4.3122 5.2370 5.2370 5.2370 5.2370 5.3856 5.3856 5.3856 5.3856 5.5114 5.5114 5.5114 5.5114 5.9337 5.9337 5.9337 5.9337 6.2634 6.2634 6.2634 6.2634 7.2999 7.2999 7.2999 7.2999 7.6256 7.6256 7.6256 7.6256 10.4514 10.4514 10.4514 10.4514 12.6076 12.6076 12.6076 12.6076 k = 0.1429 0.3736 0.3025 ( 4100 PWs) bands (ev): -6.6758 -6.6758 -6.6758 -6.6758 -4.4727 -4.4727 -4.4727 -4.4727 2.6247 2.6247 2.6247 2.6247 3.0589 3.0589 3.0589 3.0589 4.2990 4.2990 4.2990 4.2990 5.2519 5.2519 5.2519 5.2519 5.3941 5.3941 5.3941 5.3941 5.5177 5.5177 5.5177 5.5177 5.9785 5.9785 5.9785 5.9785 6.3214 6.3214 6.3214 6.3214 7.2896 7.2896 7.2896 7.2896 7.6078 7.6078 7.6078 7.6078 10.4741 10.4741 10.4741 10.4741 12.5815 12.5815 12.5815 12.5815 k = 0.1310 0.3736 0.3025 ( 4096 PWs) bands (ev): -6.6840 -6.6840 -6.6840 -6.6840 -4.4874 -4.4874 -4.4874 -4.4874 2.6260 2.6260 2.6260 2.6260 3.0907 3.0907 3.0907 3.0907 4.2858 4.2858 4.2858 4.2858 5.2614 5.2614 5.2614 5.2614 5.4028 5.4028 5.4028 5.4028 5.5242 5.5242 5.5242 5.5242 6.0272 6.0272 6.0272 6.0272 6.3782 6.3782 6.3782 6.3782 7.2797 7.2797 7.2797 7.2797 7.5919 7.5919 7.5919 7.5919 10.4938 10.4938 10.4938 10.4938 12.5534 12.5534 12.5534 12.5534 k = 0.1190 0.3736 0.3025 ( 4096 PWs) bands (ev): -6.6916 -6.6916 -6.6916 -6.6916 -4.5010 -4.5010 -4.5010 -4.5010 2.6267 2.6267 2.6267 2.6267 3.1207 3.1207 3.1207 3.1207 4.2728 4.2728 4.2728 4.2728 5.2670 5.2670 5.2670 5.2670 5.4109 5.4109 5.4109 5.4109 5.5308 5.5308 5.5308 5.5308 6.0787 6.0787 6.0787 6.0787 6.4329 6.4329 6.4329 6.4329 7.2703 7.2703 7.2703 7.2703 7.5780 7.5780 7.5780 7.5780 10.5106 10.5106 10.5106 10.5106 12.5239 12.5239 12.5239 12.5239 k = 0.1071 0.3736 0.3025 ( 4104 PWs) bands (ev): -6.6987 -6.6987 -6.6987 -6.6987 -4.5134 -4.5134 -4.5134 -4.5134 2.6269 2.6269 2.6269 2.6269 3.1487 3.1487 3.1487 3.1487 4.2601 4.2601 4.2601 4.2601 5.2701 5.2701 5.2701 5.2701 5.4179 5.4179 5.4179 5.4179 5.5371 5.5371 5.5371 5.5371 6.1317 6.1317 6.1317 6.1317 6.4843 6.4843 6.4843 6.4843 7.2617 7.2617 7.2617 7.2617 7.5662 7.5662 7.5662 7.5662 10.5247 10.5247 10.5247 10.5247 12.4936 12.4936 12.4936 12.4936 k = 0.0952 0.3736 0.3025 ( 4108 PWs) bands (ev): -6.7050 -6.7050 -6.7050 -6.7050 -4.5247 -4.5247 -4.5247 -4.5247 2.6267 2.6267 2.6267 2.6267 3.1745 3.1745 3.1745 3.1745 4.2480 4.2480 4.2480 4.2480 5.2715 5.2715 5.2715 5.2715 5.4238 5.4238 5.4238 5.4238 5.5430 5.5430 5.5430 5.5430 6.1849 6.1849 6.1849 6.1849 6.5316 6.5316 6.5316 6.5316 7.2538 7.2538 7.2538 7.2538 7.5565 7.5565 7.5565 7.5565 10.5363 10.5363 10.5363 10.5363 12.4634 12.4634 12.4634 12.4634 k = 0.0833 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.7107 -6.7107 -6.7107 -6.7107 -4.5347 -4.5347 -4.5347 -4.5347 2.6262 2.6262 2.6262 2.6262 3.1978 3.1978 3.1978 3.1978 4.2366 4.2366 4.2366 4.2366 5.2719 5.2719 5.2719 5.2719 5.4285 5.4285 5.4285 5.4285 5.5482 5.5482 5.5482 5.5482 6.2368 6.2368 6.2368 6.2368 6.5739 6.5739 6.5739 6.5739 7.2469 7.2469 7.2469 7.2469 7.5489 7.5489 7.5489 7.5489 10.5456 10.5456 10.5456 10.5456 12.4340 12.4340 12.4340 12.4340 k = 0.0714 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.7157 -6.7157 -6.7157 -6.7157 -4.5435 -4.5435 -4.5435 -4.5435 2.6256 2.6256 2.6256 2.6256 3.2185 3.2185 3.2185 3.2185 4.2263 4.2263 4.2263 4.2263 5.2718 5.2718 5.2718 5.2718 5.4322 5.4322 5.4322 5.4322 5.5528 5.5528 5.5528 5.5528 6.2861 6.2861 6.2861 6.2861 6.6104 6.6104 6.6104 6.6104 7.2411 7.2411 7.2411 7.2411 7.5432 7.5432 7.5432 7.5432 10.5528 10.5528 10.5528 10.5528 12.4065 12.4065 12.4065 12.4065 k = 0.0595 0.3736 0.3025 ( 4116 PWs) bands (ev): -6.7199 -6.7199 -6.7199 -6.7199 -4.5509 -4.5509 -4.5509 -4.5509 2.6250 2.6250 2.6250 2.6250 3.2365 3.2365 3.2365 3.2365 4.2171 4.2171 4.2171 4.2171 5.2714 5.2714 5.2714 5.2714 5.4351 5.4351 5.4351 5.4351 5.5566 5.5566 5.5566 5.5566 6.3314 6.3314 6.3314 6.3314 6.6406 6.6406 6.6406 6.6406 7.2363 7.2363 7.2363 7.2363 7.5394 7.5394 7.5394 7.5394 10.5583 10.5583 10.5583 10.5583 12.3815 12.3815 12.3815 12.3815 k = 0.0476 0.3736 0.3025 ( 4108 PWs) bands (ev): -6.7234 -6.7234 -6.7234 -6.7234 -4.5571 -4.5571 -4.5571 -4.5571 2.6243 2.6243 2.6243 2.6243 3.2515 3.2515 3.2515 3.2515 4.2093 4.2093 4.2093 4.2093 5.2709 5.2709 5.2709 5.2709 5.4374 5.4374 5.4374 5.4374 5.5598 5.5598 5.5598 5.5598 6.3712 6.3712 6.3712 6.3712 6.6643 6.6643 6.6643 6.6643 7.2326 7.2326 7.2326 7.2326 7.5370 7.5370 7.5370 7.5370 10.5623 10.5623 10.5623 10.5623 12.3599 12.3599 12.3599 12.3599 k = 0.0357 0.3736 0.3025 ( 4112 PWs) bands (ev): -6.7262 -6.7262 -6.7262 -6.7262 -4.5619 -4.5619 -4.5619 -4.5619 2.6237 2.6237 2.6237 2.6237 3.2633 3.2633 3.2633 3.2633 4.2030 4.2030 4.2030 4.2030 5.2704 5.2704 5.2704 5.2704 5.4391 5.4391 5.4391 5.4391 5.5622 5.5622 5.5622 5.5622 6.4042 6.4042 6.4042 6.4042 6.6818 6.6818 6.6818 6.6818 7.2300 7.2300 7.2300 7.2300 7.5358 7.5358 7.5358 7.5358 10.5651 10.5651 10.5651 10.5651 12.3424 12.3424 12.3424 12.3424 k = 0.0238 0.3736 0.3025 ( 4112 PWs) bands (ev): -6.7282 -6.7282 -6.7282 -6.7282 -4.5653 -4.5653 -4.5653 -4.5653 2.6233 2.6233 2.6233 2.6233 3.2719 3.2719 3.2719 3.2719 4.1984 4.1984 4.1984 4.1984 5.2700 5.2700 5.2700 5.2700 5.4402 5.4402 5.4402 5.4402 5.5638 5.5638 5.5638 5.5638 6.4291 6.4291 6.4291 6.4291 6.6935 6.6935 6.6935 6.6935 7.2282 7.2282 7.2282 7.2282 7.5353 7.5353 7.5353 7.5353 10.5669 10.5669 10.5669 10.5669 12.3295 12.3295 12.3295 12.3295 k = 0.0119 0.3736 0.3025 ( 4104 PWs) bands (ev): -6.7293 -6.7293 -6.7293 -6.7293 -4.5674 -4.5674 -4.5674 -4.5674 2.6230 2.6230 2.6230 2.6230 3.2771 3.2771 3.2771 3.2771 4.1957 4.1957 4.1957 4.1957 5.2697 5.2697 5.2697 5.2697 5.4409 5.4409 5.4409 5.4409 5.5649 5.5649 5.5649 5.5649 6.4446 6.4446 6.4446 6.4446 6.7001 6.7001 6.7001 6.7001 7.2272 7.2272 7.2272 7.2272 7.5351 7.5351 7.5351 7.5351 10.5680 10.5680 10.5680 10.5680 12.3217 12.3217 12.3217 12.3217 k = 0.0000 0.3736 0.3025 ( 4104 PWs) bands (ev): -6.7297 -6.7297 -6.7297 -6.7297 -4.5681 -4.5681 -4.5681 -4.5681 2.6229 2.6229 2.6229 2.6229 3.2788 3.2788 3.2788 3.2788 4.1947 4.1947 4.1947 4.1947 5.2696 5.2696 5.2696 5.2696 5.4411 5.4411 5.4411 5.4411 5.5652 5.5652 5.5652 5.5652 6.4499 6.4499 6.4499 6.4499 6.7023 6.7023 6.7023 6.7023 7.2269 7.2269 7.2269 7.2269 7.5351 7.5351 7.5351 7.5351 10.5683 10.5683 10.5683 10.5683 12.3190 12.3190 12.3190 12.3190 k = 0.0000 0.3736 0.3025 ( 4104 PWs) bands (ev): -6.7297 -6.7297 -6.7297 -6.7297 -4.5681 -4.5681 -4.5681 -4.5681 2.6229 2.6229 2.6229 2.6229 3.2788 3.2788 3.2788 3.2788 4.1947 4.1947 4.1947 4.1947 5.2696 5.2696 5.2696 5.2696 5.4411 5.4411 5.4411 5.4411 5.5652 5.5652 5.5652 5.5652 6.4499 6.4499 6.4499 6.4499 6.7023 6.7023 6.7023 6.7023 7.2269 7.2269 7.2269 7.2269 7.5351 7.5351 7.5351 7.5351 10.5683 10.5683 10.5683 10.5683 12.3190 12.3190 12.3190 12.3190 k = 0.0000 0.3620 0.3025 ( 4108 PWs) bands (ev): -6.7308 -6.7308 -6.7308 -6.7308 -4.5660 -4.5660 -4.5660 -4.5660 2.6182 2.6182 2.6182 2.6182 3.2840 3.2840 3.2840 3.2840 4.1953 4.1953 4.1953 4.1953 5.2694 5.2694 5.2694 5.2694 5.4408 5.4408 5.4408 5.4408 5.5650 5.5650 5.5650 5.5650 6.4402 6.4402 6.4402 6.4402 6.7078 6.7078 6.7078 6.7078 7.2107 7.2107 7.2107 7.2107 7.5524 7.5524 7.5524 7.5524 10.5676 10.5676 10.5676 10.5676 12.3084 12.3084 12.3084 12.3084 k = 0.0000 0.3503 0.3025 ( 4112 PWs) bands (ev): -6.7341 -6.7341 -6.7341 -6.7341 -4.5599 -4.5599 -4.5599 -4.5599 2.6047 2.6047 2.6047 2.6047 3.2992 3.2992 3.2992 3.2992 4.1971 4.1971 4.1971 4.1971 5.2686 5.2686 5.2686 5.2686 5.4397 5.4397 5.4397 5.4397 5.5643 5.5643 5.5643 5.5643 6.4136 6.4136 6.4136 6.4136 6.7219 6.7219 6.7219 6.7219 7.1703 7.1703 7.1703 7.1703 7.5963 7.5963 7.5963 7.5963 10.5653 10.5653 10.5653 10.5653 12.2845 12.2845 12.2845 12.2845 k = 0.0000 0.3386 0.3025 ( 4120 PWs) bands (ev): -6.7394 -6.7394 -6.7394 -6.7394 -4.5498 -4.5498 -4.5498 -4.5498 2.5834 2.5834 2.5834 2.5834 3.3230 3.3230 3.3230 3.3230 4.2000 4.2000 4.2000 4.2000 5.2672 5.2672 5.2672 5.2672 5.4381 5.4381 5.4381 5.4381 5.5631 5.5631 5.5631 5.5631 6.3746 6.3746 6.3746 6.3746 6.7401 6.7401 6.7401 6.7401 7.1180 7.1180 7.1180 7.1180 7.6549 7.6549 7.6549 7.6549 10.5609 10.5609 10.5609 10.5609 12.2593 12.2593 12.2593 12.2593 k = 0.0000 0.3269 0.3025 ( 4124 PWs) bands (ev): -6.7467 -6.7467 -6.7467 -6.7467 -4.5357 -4.5357 -4.5357 -4.5357 2.5561 2.5561 2.5561 2.5561 3.3539 3.3539 3.3539 3.3539 4.2042 4.2042 4.2042 4.2042 5.2650 5.2650 5.2650 5.2650 5.4357 5.4357 5.4357 5.4357 5.5615 5.5615 5.5615 5.5615 6.3274 6.3274 6.3274 6.3274 6.7585 6.7585 6.7585 6.7585 7.0614 7.0614 7.0614 7.0614 7.7209 7.7209 7.7209 7.7209 10.5536 10.5536 10.5536 10.5536 12.2395 12.2395 12.2395 12.2395 k = 0.0000 0.3152 0.3025 ( 4132 PWs) bands (ev): -6.7559 -6.7559 -6.7559 -6.7559 -4.5180 -4.5180 -4.5180 -4.5180 2.5242 2.5242 2.5242 2.5242 3.3901 3.3901 3.3901 3.3901 4.2095 4.2095 4.2095 4.2095 5.2617 5.2617 5.2617 5.2617 5.4328 5.4328 5.4328 5.4328 5.5595 5.5595 5.5595 5.5595 6.2747 6.2747 6.2747 6.2747 6.7736 6.7736 6.7736 6.7736 7.0055 7.0055 7.0055 7.0055 7.7910 7.7910 7.7910 7.7910 10.5423 10.5423 10.5423 10.5423 12.2283 12.2283 12.2283 12.2283 k = 0.0000 0.3036 0.3025 ( 4128 PWs) bands (ev): -6.7667 -6.7667 -6.7667 -6.7667 -4.4968 -4.4968 -4.4968 -4.4968 2.4891 2.4891 2.4891 2.4891 3.4303 3.4303 3.4303 3.4303 4.2160 4.2160 4.2160 4.2160 5.2569 5.2569 5.2569 5.2569 5.4294 5.4294 5.4294 5.4294 5.5572 5.5572 5.5572 5.5572 6.2186 6.2186 6.2186 6.2186 6.7809 6.7809 6.7809 6.7809 6.9557 6.9557 6.9557 6.9557 7.8635 7.8635 7.8635 7.8635 10.5263 10.5263 10.5263 10.5263 12.2274 12.2274 12.2274 12.2274 k = 0.0000 0.2919 0.3025 ( 4124 PWs) bands (ev): -6.7791 -6.7791 -6.7791 -6.7791 -4.4724 -4.4724 -4.4724 -4.4724 2.4518 2.4518 2.4518 2.4518 3.4731 3.4731 3.4731 3.4731 4.2237 4.2237 4.2237 4.2237 5.2500 5.2500 5.2500 5.2500 5.4254 5.4254 5.4254 5.4254 5.5545 5.5545 5.5545 5.5545 6.1607 6.1607 6.1607 6.1607 6.7725 6.7725 6.7725 6.7725 6.9206 6.9206 6.9206 6.9206 7.9373 7.9373 7.9373 7.9373 10.5048 10.5048 10.5048 10.5048 12.2374 12.2374 12.2374 12.2374 k = 0.0000 0.2802 0.3025 ( 4132 PWs) bands (ev): -6.7928 -6.7928 -6.7928 -6.7928 -4.4451 -4.4451 -4.4451 -4.4451 2.4133 2.4133 2.4133 2.4133 3.5176 3.5176 3.5176 3.5176 4.2325 4.2325 4.2325 4.2325 5.2404 5.2404 5.2404 5.2404 5.4210 5.4210 5.4210 5.4210 5.5515 5.5515 5.5515 5.5515 6.1025 6.1025 6.1025 6.1025 6.7422 6.7422 6.7422 6.7422 6.9066 6.9066 6.9066 6.9066 8.0119 8.0119 8.0119 8.0119 10.4775 10.4775 10.4775 10.4775 12.2585 12.2585 12.2585 12.2585 k = 0.0000 0.2685 0.3025 ( 4124 PWs) bands (ev): -6.8076 -6.8076 -6.8076 -6.8076 -4.4151 -4.4151 -4.4151 -4.4151 2.3742 2.3742 2.3742 2.3742 3.5628 3.5628 3.5628 3.5628 4.2425 4.2425 4.2425 4.2425 5.2274 5.2274 5.2274 5.2274 5.4163 5.4163 5.4163 5.4163 5.5485 5.5485 5.5485 5.5485 6.0456 6.0456 6.0456 6.0456 6.6965 6.6965 6.6965 6.6965 6.9080 6.9080 6.9080 6.9080 8.0868 8.0868 8.0868 8.0868 10.4441 10.4441 10.4441 10.4441 12.2899 12.2899 12.2899 12.2899 k = 0.0000 0.2569 0.3025 ( 4112 PWs) bands (ev): -6.8234 -6.8234 -6.8234 -6.8234 -4.3828 -4.3828 -4.3828 -4.3828 2.3350 2.3350 2.3350 2.3350 3.6081 3.6081 3.6081 3.6081 4.2536 4.2536 4.2536 4.2536 5.2102 5.2102 5.2102 5.2102 5.4112 5.4112 5.4112 5.4112 5.5455 5.5455 5.5455 5.5455 5.9914 5.9914 5.9914 5.9914 6.6446 6.6446 6.6446 6.6446 6.9160 6.9160 6.9160 6.9160 8.1616 8.1616 8.1616 8.1616 10.4051 10.4051 10.4051 10.4051 12.3306 12.3306 12.3306 12.3306 k = 0.0000 0.2452 0.3025 ( 4116 PWs) bands (ev): -6.8398 -6.8398 -6.8398 -6.8398 -4.3486 -4.3486 -4.3486 -4.3486 2.2960 2.2960 2.2960 2.2960 3.6527 3.6527 3.6527 3.6527 4.2658 4.2658 4.2658 4.2658 5.1882 5.1882 5.1882 5.1882 5.4055 5.4055 5.4055 5.4055 5.5428 5.5428 5.5428 5.5428 5.9412 5.9412 5.9412 5.9412 6.5911 6.5911 6.5911 6.5911 6.9264 6.9264 6.9264 6.9264 8.2360 8.2360 8.2360 8.2360 10.3609 10.3609 10.3609 10.3609 12.3791 12.3791 12.3791 12.3791 k = 0.0000 0.2335 0.3025 ( 4112 PWs) bands (ev): -6.8567 -6.8567 -6.8567 -6.8567 -4.3127 -4.3127 -4.3127 -4.3127 2.2576 2.2576 2.2576 2.2576 3.6960 3.6960 3.6960 3.6960 4.2791 4.2791 4.2791 4.2791 5.1610 5.1610 5.1610 5.1610 5.3991 5.3991 5.3991 5.3991 5.5408 5.5408 5.5408 5.5408 5.8963 5.8963 5.8963 5.8963 6.5379 6.5379 6.5379 6.5379 6.9378 6.9378 6.9378 6.9378 8.3098 8.3098 8.3098 8.3098 10.3120 10.3120 10.3120 10.3120 12.4338 12.4338 12.4338 12.4338 k = 0.0000 0.2218 0.3025 ( 4112 PWs) bands (ev): -6.8739 -6.8739 -6.8739 -6.8739 -4.2755 -4.2755 -4.2755 -4.2755 2.2200 2.2200 2.2200 2.2200 3.7374 3.7374 3.7374 3.7374 4.2933 4.2933 4.2933 4.2933 5.1287 5.1287 5.1287 5.1287 5.3915 5.3915 5.3915 5.3915 5.5397 5.5397 5.5397 5.5397 5.8573 5.8573 5.8573 5.8573 6.4861 6.4861 6.4861 6.4861 6.9494 6.9494 6.9494 6.9494 8.3827 8.3827 8.3827 8.3827 10.2593 10.2593 10.2593 10.2593 12.4928 12.4928 12.4928 12.4928 k = 0.0000 0.2102 0.3025 ( 4114 PWs) bands (ev): -6.8912 -6.8912 -6.8912 -6.8912 -4.2373 -4.2373 -4.2373 -4.2373 2.1835 2.1835 2.1835 2.1835 3.7765 3.7765 3.7765 3.7765 4.3086 4.3086 4.3086 4.3086 5.0918 5.0918 5.0918 5.0918 5.3825 5.3825 5.3825 5.3825 5.5397 5.5397 5.5397 5.5397 5.8247 5.8247 5.8247 5.8247 6.4362 6.4362 6.4362 6.4362 6.9610 6.9610 6.9610 6.9610 8.4543 8.4543 8.4543 8.4543 10.2034 10.2034 10.2034 10.2034 12.5542 12.5542 12.5542 12.5542 k = 0.0000 0.1985 0.3025 ( 4114 PWs) bands (ev): -6.9085 -6.9085 -6.9085 -6.9085 -4.1986 -4.1986 -4.1986 -4.1986 2.1481 2.1481 2.1481 2.1481 3.8125 3.8125 3.8125 3.8125 4.3248 4.3248 4.3248 4.3248 5.0512 5.0512 5.0512 5.0512 5.3718 5.3718 5.3718 5.3718 5.5408 5.5408 5.5408 5.5408 5.7985 5.7985 5.7985 5.7985 6.3886 6.3886 6.3886 6.3886 6.9727 6.9727 6.9727 6.9727 8.5244 8.5244 8.5244 8.5244 10.1452 10.1452 10.1452 10.1452 12.6159 12.6159 12.6159 12.6159 k = 0.0000 0.1868 0.3025 ( 4116 PWs) bands (ev): -6.9256 -6.9256 -6.9256 -6.9256 -4.1597 -4.1597 -4.1597 -4.1597 2.1141 2.1141 2.1141 2.1141 3.8449 3.8449 3.8449 3.8449 4.3419 4.3419 4.3419 4.3419 5.0084 5.0084 5.0084 5.0084 5.3593 5.3593 5.3593 5.3593 5.5430 5.5430 5.5430 5.5430 5.7784 5.7784 5.7784 5.7784 6.3436 6.3436 6.3436 6.3436 6.9844 6.9844 6.9844 6.9844 8.5927 8.5927 8.5927 8.5927 10.0852 10.0852 10.0852 10.0852 12.6760 12.6760 12.6760 12.6760 k = 0.0000 0.1751 0.3025 ( 4108 PWs) bands (ev): -6.9422 -6.9422 -6.9422 -6.9422 -4.1209 -4.1209 -4.1209 -4.1209 2.0815 2.0815 2.0815 2.0815 3.8733 3.8733 3.8733 3.8733 4.3600 4.3600 4.3600 4.3600 4.9648 4.9648 4.9648 4.9648 5.3451 5.3451 5.3451 5.3451 5.5458 5.5458 5.5458 5.5458 5.7639 5.7639 5.7639 5.7639 6.3015 6.3015 6.3015 6.3015 6.9961 6.9961 6.9961 6.9961 8.6590 8.6590 8.6590 8.6590 10.0242 10.0242 10.0242 10.0242 12.7326 12.7326 12.7326 12.7326 k = 0.0000 0.1635 0.3025 ( 4112 PWs) bands (ev): -6.9584 -6.9584 -6.9584 -6.9584 -4.0825 -4.0825 -4.0825 -4.0825 2.0504 2.0504 2.0504 2.0504 3.8972 3.8972 3.8972 3.8972 4.3787 4.3787 4.3787 4.3787 4.9218 4.9218 4.9218 4.9218 5.3290 5.3290 5.3290 5.3290 5.5488 5.5488 5.5488 5.5488 5.7546 5.7546 5.7546 5.7546 6.2623 6.2623 6.2623 6.2623 7.0079 7.0079 7.0079 7.0079 8.7230 8.7230 8.7230 8.7230 9.9628 9.9628 9.9628 9.9628 12.7837 12.7837 12.7837 12.7837 k = 0.0000 0.1518 0.3025 ( 4102 PWs) bands (ev): -6.9740 -6.9740 -6.9740 -6.9740 -4.0449 -4.0449 -4.0449 -4.0449 2.0210 2.0210 2.0210 2.0210 3.9161 3.9161 3.9161 3.9161 4.3982 4.3982 4.3982 4.3982 4.8810 4.8810 4.8810 4.8810 5.3114 5.3114 5.3114 5.3114 5.5516 5.5516 5.5516 5.5516 5.7500 5.7500 5.7500 5.7500 6.2262 6.2262 6.2262 6.2262 7.0198 7.0198 7.0198 7.0198 8.7842 8.7842 8.7842 8.7842 9.9016 9.9016 9.9016 9.9016 12.8282 12.8282 12.8282 12.8282 k = 0.0000 0.1401 0.3025 ( 4112 PWs) bands (ev): -6.9888 -6.9888 -6.9888 -6.9888 -4.0085 -4.0085 -4.0085 -4.0085 1.9934 1.9934 1.9934 1.9934 3.9299 3.9299 3.9299 3.9299 4.4182 4.4182 4.4182 4.4182 4.8434 4.8434 4.8434 4.8434 5.2923 5.2923 5.2923 5.2923 5.5540 5.5540 5.5540 5.5540 5.7494 5.7494 5.7494 5.7494 6.1932 6.1932 6.1932 6.1932 7.0317 7.0317 7.0317 7.0317 8.8426 8.8426 8.8426 8.8426 9.8414 9.8414 9.8414 9.8414 12.8651 12.8651 12.8651 12.8651 k = 0.0000 0.1284 0.3025 ( 4110 PWs) bands (ev): -7.0028 -7.0028 -7.0028 -7.0028 -3.9735 -3.9735 -3.9735 -3.9735 1.9676 1.9676 1.9676 1.9676 3.9385 3.9385 3.9385 3.9385 4.4387 4.4387 4.4387 4.4387 4.8099 4.8099 4.8099 4.8099 5.2720 5.2720 5.2720 5.2720 5.5556 5.5556 5.5556 5.5556 5.7522 5.7522 5.7522 5.7522 6.1634 6.1634 6.1634 6.1634 7.0437 7.0437 7.0437 7.0437 8.8976 8.8976 8.8976 8.8976 9.7826 9.7826 9.7826 9.7826 12.8940 12.8940 12.8940 12.8940 k = 0.0000 0.1168 0.3025 ( 4130 PWs) bands (ev): -7.0158 -7.0158 -7.0158 -7.0158 -3.9403 -3.9403 -3.9403 -3.9403 1.9437 1.9437 1.9437 1.9437 3.9421 3.9421 3.9421 3.9421 4.4594 4.4594 4.4594 4.4594 4.7812 4.7812 4.7812 4.7812 5.2508 5.2508 5.2508 5.2508 5.5564 5.5564 5.5564 5.5564 5.7577 5.7577 5.7577 5.7577 6.1368 6.1368 6.1368 6.1368 7.0555 7.0555 7.0555 7.0555 8.9491 8.9491 8.9491 8.9491 9.7260 9.7260 9.7260 9.7260 12.9155 12.9155 12.9155 12.9155 k = 0.0000 0.1051 0.3025 ( 4134 PWs) bands (ev): -7.0278 -7.0278 -7.0278 -7.0278 -3.9093 -3.9093 -3.9093 -3.9093 1.9218 1.9218 1.9218 1.9218 3.9413 3.9413 3.9413 3.9413 4.4802 4.4802 4.4802 4.4802 4.7573 4.7573 4.7573 4.7573 5.2289 5.2289 5.2289 5.2289 5.5567 5.5567 5.5567 5.5567 5.7653 5.7653 5.7653 5.7653 6.1132 6.1132 6.1132 6.1132 7.0673 7.0673 7.0673 7.0673 8.9967 8.9967 8.9967 8.9967 9.6721 9.6721 9.6721 9.6721 12.9304 12.9304 12.9304 12.9304 k = 0.0000 0.0934 0.3025 ( 4132 PWs) bands (ev): -7.0388 -7.0388 -7.0388 -7.0388 -3.8806 -3.8806 -3.8806 -3.8806 1.9020 1.9020 1.9020 1.9020 3.9368 3.9368 3.9368 3.9368 4.5009 4.5009 4.5009 4.5009 4.7382 4.7382 4.7382 4.7382 5.2068 5.2068 5.2068 5.2068 5.5565 5.5565 5.5565 5.5565 5.7740 5.7740 5.7740 5.7740 6.0928 6.0928 6.0928 6.0928 7.0788 7.0788 7.0788 7.0788 9.0402 9.0402 9.0402 9.0402 9.6216 9.6216 9.6216 9.6216 12.9397 12.9397 12.9397 12.9397 k = 0.0000 0.0817 0.3025 ( 4136 PWs) bands (ev): -7.0486 -7.0486 -7.0486 -7.0486 -3.8545 -3.8545 -3.8545 -3.8545 1.8843 1.8843 1.8843 1.8843 3.9295 3.9295 3.9295 3.9295 4.5210 4.5210 4.5210 4.5210 4.7233 4.7233 4.7233 4.7233 5.1850 5.1850 5.1850 5.1850 5.5559 5.5559 5.5559 5.5559 5.7833 5.7833 5.7833 5.7833 6.0752 6.0752 6.0752 6.0752 7.0897 7.0897 7.0897 7.0897 9.0792 9.0792 9.0792 9.0792 9.5751 9.5751 9.5751 9.5751 12.9448 12.9448 12.9448 12.9448 k = 0.0000 0.0701 0.3025 ( 4136 PWs) bands (ev): -7.0572 -7.0572 -7.0572 -7.0572 -3.8314 -3.8314 -3.8314 -3.8314 1.8689 1.8689 1.8689 1.8689 3.9206 3.9206 3.9206 3.9206 4.5402 4.5402 4.5402 4.5402 4.7122 4.7122 4.7122 4.7122 5.1639 5.1639 5.1639 5.1639 5.5551 5.5551 5.5551 5.5551 5.7925 5.7925 5.7925 5.7925 6.0604 6.0604 6.0604 6.0604 7.1000 7.1000 7.1000 7.1000 9.1135 9.1135 9.1135 9.1135 9.5334 9.5334 9.5334 9.5334 12.9468 12.9468 12.9468 12.9468 k = 0.0000 0.0584 0.3025 ( 4128 PWs) bands (ev): -7.0645 -7.0645 -7.0645 -7.0645 -3.8114 -3.8114 -3.8114 -3.8114 1.8557 1.8557 1.8557 1.8557 3.9111 3.9111 3.9111 3.9111 4.5580 4.5580 4.5580 4.5580 4.7041 4.7041 4.7041 4.7041 5.1442 5.1442 5.1442 5.1442 5.5543 5.5543 5.5543 5.5543 5.8010 5.8010 5.8010 5.8010 6.0483 6.0483 6.0483 6.0483 7.1093 7.1093 7.1093 7.1093 9.1428 9.1428 9.1428 9.1428 9.4969 9.4969 9.4969 9.4969 12.9468 12.9468 12.9468 12.9468 k = 0.0000 0.0467 0.3025 ( 4128 PWs) bands (ev): -7.0706 -7.0706 -7.0706 -7.0706 -3.7948 -3.7948 -3.7948 -3.7948 1.8448 1.8448 1.8448 1.8448 3.9019 3.9019 3.9019 3.9019 4.5739 4.5739 4.5739 4.5739 4.6985 4.6985 4.6985 4.6985 5.1265 5.1265 5.1265 5.1265 5.5536 5.5536 5.5536 5.5536 5.8086 5.8086 5.8086 5.8086 6.0386 6.0386 6.0386 6.0386 7.1173 7.1173 7.1173 7.1173 9.1670 9.1670 9.1670 9.1670 9.4664 9.4664 9.4664 9.4664 12.9457 12.9457 12.9457 12.9457 k = 0.0000 0.0350 0.3025 ( 4136 PWs) bands (ev): -7.0753 -7.0753 -7.0753 -7.0753 -3.7817 -3.7817 -3.7817 -3.7817 1.8363 1.8363 1.8363 1.8363 3.8938 3.8938 3.8938 3.8938 4.5871 4.5871 4.5871 4.5871 4.6948 4.6948 4.6948 4.6948 5.1116 5.1116 5.1116 5.1116 5.5528 5.5528 5.5528 5.5528 5.8147 5.8147 5.8147 5.8147 6.0313 6.0313 6.0313 6.0313 7.1239 7.1239 7.1239 7.1239 9.1858 9.1858 9.1858 9.1858 9.4421 9.4421 9.4421 9.4421 12.9441 12.9441 12.9441 12.9441 k = 0.0000 0.0234 0.3025 ( 4140 PWs) bands (ev): -7.0787 -7.0787 -7.0787 -7.0787 -3.7722 -3.7722 -3.7722 -3.7722 1.8301 1.8301 1.8301 1.8301 3.8875 3.8875 3.8875 3.8875 4.5971 4.5971 4.5971 4.5971 4.6925 4.6925 4.6925 4.6925 5.1003 5.1003 5.1003 5.1003 5.5523 5.5523 5.5523 5.5523 5.8192 5.8192 5.8192 5.8192 6.0262 6.0262 6.0262 6.0262 7.1288 7.1288 7.1288 7.1288 9.1992 9.1992 9.1992 9.1992 9.4247 9.4247 9.4247 9.4247 12.9426 12.9426 12.9426 12.9426 k = 0.0000 0.0117 0.3025 ( 4124 PWs) bands (ev): -7.0808 -7.0808 -7.0808 -7.0808 -3.7665 -3.7665 -3.7665 -3.7665 1.8265 1.8265 1.8265 1.8265 3.8837 3.8837 3.8837 3.8837 4.6034 4.6034 4.6034 4.6034 4.6913 4.6913 4.6913 4.6913 5.0932 5.0932 5.0932 5.0932 5.5520 5.5520 5.5520 5.5520 5.8221 5.8221 5.8221 5.8221 6.0232 6.0232 6.0232 6.0232 7.1318 7.1318 7.1318 7.1318 9.2072 9.2072 9.2072 9.2072 9.4141 9.4141 9.4141 9.4141 12.9416 12.9416 12.9416 12.9416 k = 0.0000 0.0000 0.3025 ( 4126 PWs) bands (ev): -7.0815 -7.0815 -7.0815 -7.0815 -3.7646 -3.7646 -3.7646 -3.7646 1.8252 1.8252 1.8252 1.8252 3.8823 3.8823 3.8823 3.8823 4.6056 4.6056 4.6056 4.6056 4.6909 4.6909 4.6909 4.6909 5.0908 5.0908 5.0908 5.0908 5.5519 5.5519 5.5519 5.5519 5.8230 5.8230 5.8230 5.8230 6.0222 6.0222 6.0222 6.0222 7.1329 7.1329 7.1329 7.1329 9.2099 9.2099 9.2099 9.2099 9.4106 9.4106 9.4106 9.4106 12.9412 12.9412 12.9412 12.9412 k = 0.0000 0.3736-0.0000 ( 4136 PWs) bands (ev): -6.8206 -6.8206 -6.8206 -6.8206 -4.3278 -4.3278 -4.3278 -4.3278 1.5870 1.5870 1.5870 1.5870 4.2264 4.2264 4.2264 4.2264 4.3941 4.3941 4.3941 4.3941 4.9572 4.9572 4.9572 4.9572 5.3969 5.3969 5.3969 5.3969 5.5837 5.5837 5.5837 5.5837 5.7076 5.7076 5.7076 5.7076 6.9680 6.9680 6.9680 6.9680 7.9561 7.9561 7.9561 7.9561 8.2692 8.2692 8.2692 8.2692 9.5565 9.5565 9.5565 9.5565 12.0807 12.0807 12.0807 12.0807 k = 0.0000 0.3736 0.0116 ( 4134 PWs) bands (ev): -6.8203 -6.8203 -6.8203 -6.8203 -4.3287 -4.3287 -4.3287 -4.3287 1.5895 1.5895 1.5895 1.5895 4.2262 4.2262 4.2262 4.2262 4.3896 4.3896 4.3896 4.3896 4.9610 4.9610 4.9610 4.9610 5.3974 5.3974 5.3974 5.3974 5.5841 5.5841 5.5841 5.5841 5.7070 5.7070 5.7070 5.7070 6.9685 6.9685 6.9685 6.9685 7.9545 7.9545 7.9545 7.9545 8.2634 8.2634 8.2634 8.2634 9.5626 9.5626 9.5626 9.5626 12.0790 12.0790 12.0790 12.0790 k = 0.0000 0.3736 0.0233 ( 4138 PWs) bands (ev): -6.8194 -6.8194 -6.8194 -6.8194 -4.3313 -4.3313 -4.3313 -4.3313 1.5970 1.5970 1.5970 1.5970 4.2257 4.2257 4.2257 4.2257 4.3765 4.3765 4.3765 4.3765 4.9721 4.9721 4.9721 4.9721 5.3985 5.3985 5.3985 5.3985 5.5852 5.5852 5.5852 5.5852 5.7053 5.7053 5.7053 5.7053 6.9697 6.9697 6.9697 6.9697 7.9498 7.9498 7.9498 7.9498 8.2464 8.2464 8.2464 8.2464 9.5806 9.5806 9.5806 9.5806 12.0741 12.0741 12.0741 12.0741 k = 0.0000 0.3736 0.0349 ( 4142 PWs) bands (ev): -6.8179 -6.8179 -6.8179 -6.8179 -4.3357 -4.3357 -4.3357 -4.3357 1.6094 1.6094 1.6094 1.6094 4.2248 4.2248 4.2248 4.2248 4.3559 4.3559 4.3559 4.3559 4.9895 4.9895 4.9895 4.9895 5.4003 5.4003 5.4003 5.4003 5.5870 5.5870 5.5870 5.5870 5.7028 5.7028 5.7028 5.7028 6.9719 6.9719 6.9719 6.9719 7.9419 7.9419 7.9419 7.9419 8.2193 8.2193 8.2193 8.2193 9.6095 9.6095 9.6095 9.6095 12.0662 12.0662 12.0662 12.0662 k = 0.0000 0.3736 0.0465 ( 4142 PWs) bands (ev): -6.8158 -6.8158 -6.8158 -6.8158 -4.3417 -4.3417 -4.3417 -4.3417 1.6267 1.6267 1.6267 1.6267 4.2234 4.2234 4.2234 4.2234 4.3288 4.3288 4.3288 4.3288 5.0117 5.0117 5.0117 5.0117 5.4029 5.4029 5.4029 5.4029 5.5894 5.5894 5.5894 5.5894 5.6998 5.6998 5.6998 5.6998 6.9749 6.9749 6.9749 6.9749 7.9307 7.9307 7.9307 7.9307 8.1837 8.1837 8.1837 8.1837 9.6478 9.6478 9.6478 9.6478 12.0556 12.0556 12.0556 12.0556 k = 0.0000 0.3736 0.0582 ( 4146 PWs) bands (ev): -6.8131 -6.8131 -6.8131 -6.8131 -4.3493 -4.3493 -4.3493 -4.3493 1.6488 1.6488 1.6488 1.6488 4.2212 4.2212 4.2212 4.2212 4.2969 4.2969 4.2969 4.2969 5.0373 5.0373 5.0373 5.0373 5.4062 5.4062 5.4062 5.4062 5.5920 5.5920 5.5920 5.5920 5.6970 5.6970 5.6970 5.6970 6.9788 6.9788 6.9788 6.9788 7.9158 7.9158 7.9158 7.9158 8.1415 8.1415 8.1415 8.1415 9.6937 9.6937 9.6937 9.6937 12.0429 12.0429 12.0429 12.0429 k = 0.0000 0.3736 0.0698 ( 4142 PWs) bands (ev): -6.8099 -6.8099 -6.8099 -6.8099 -4.3583 -4.3583 -4.3583 -4.3583 1.6755 1.6755 1.6755 1.6755 4.2169 4.2169 4.2169 4.2169 4.2625 4.2625 4.2625 4.2625 5.0650 5.0650 5.0650 5.0650 5.4100 5.4100 5.4100 5.4100 5.5944 5.5944 5.5944 5.5944 5.6955 5.6955 5.6955 5.6955 6.9836 6.9836 6.9836 6.9836 7.8967 7.8967 7.8967 7.8967 8.0947 8.0947 8.0947 8.0947 9.7457 9.7457 9.7457 9.7457 12.0286 12.0286 12.0286 12.0286 k = 0.0000 0.3736 0.0814 ( 4134 PWs) bands (ev): -6.8062 -6.8062 -6.8062 -6.8062 -4.3686 -4.3686 -4.3686 -4.3686 1.7066 1.7066 1.7066 1.7066 4.2021 4.2021 4.2021 4.2021 4.2348 4.2348 4.2348 4.2348 5.0937 5.0937 5.0937 5.0937 5.4143 5.4143 5.4143 5.4143 5.5958 5.5958 5.5958 5.5958 5.6964 5.6964 5.6964 5.6964 6.9892 6.9892 6.9892 6.9892 7.8725 7.8725 7.8725 7.8725 8.0458 8.0458 8.0458 8.0458 9.8022 9.8022 9.8022 9.8022 12.0134 12.0134 12.0134 12.0134 k = 0.0000 0.3736 0.0931 ( 4120 PWs) bands (ev): -6.8021 -6.8021 -6.8021 -6.8021 -4.3801 -4.3801 -4.3801 -4.3801 1.7420 1.7420 1.7420 1.7420 4.1661 4.1661 4.1661 4.1661 4.2250 4.2250 4.2250 4.2250 5.1222 5.1222 5.1222 5.1222 5.4191 5.4191 5.4191 5.4191 5.5955 5.5955 5.5955 5.5955 5.7015 5.7015 5.7015 5.7015 6.9957 6.9957 6.9957 6.9957 7.8417 7.8417 7.8417 7.8417 7.9975 7.9975 7.9975 7.9975 9.8619 9.8619 9.8619 9.8619 11.9980 11.9980 11.9980 11.9980 k = 0.0000 0.3736 0.1047 ( 4124 PWs) bands (ev): -6.7976 -6.7976 -6.7976 -6.7976 -4.3925 -4.3925 -4.3925 -4.3925 1.7815 1.7815 1.7815 1.7815 4.1213 4.1213 4.1213 4.1213 4.2212 4.2212 4.2212 4.2212 5.1495 5.1495 5.1495 5.1495 5.4239 5.4239 5.4239 5.4239 5.5930 5.5930 5.5930 5.5930 5.7117 5.7117 5.7117 5.7117 7.0029 7.0029 7.0029 7.0029 7.8025 7.8025 7.8025 7.8025 7.9525 7.9525 7.9525 7.9525 9.9235 9.9235 9.9235 9.9235 11.9832 11.9832 11.9832 11.9832 k = 0.0000 0.3736 0.1163 ( 4120 PWs) bands (ev): -6.7927 -6.7927 -6.7927 -6.7927 -4.4058 -4.4058 -4.4058 -4.4058 1.8247 1.8247 1.8247 1.8247 4.0729 4.0729 4.0729 4.0729 4.2184 4.2184 4.2184 4.2184 5.1749 5.1749 5.1749 5.1749 5.4288 5.4288 5.4288 5.4288 5.5884 5.5884 5.5884 5.5884 5.7279 5.7279 5.7279 5.7279 7.0109 7.0109 7.0109 7.0109 7.7544 7.7544 7.7544 7.7544 7.9125 7.9125 7.9125 7.9125 9.9860 9.9860 9.9860 9.9860 11.9697 11.9697 11.9697 11.9697 k = 0.0000 0.3736 0.1280 ( 4116 PWs) bands (ev): -6.7876 -6.7876 -6.7876 -6.7876 -4.4196 -4.4196 -4.4196 -4.4196 1.8715 1.8715 1.8715 1.8715 4.0221 4.0221 4.0221 4.0221 4.2160 4.2160 4.2160 4.2160 5.1978 5.1978 5.1978 5.1978 5.4334 5.4334 5.4334 5.4334 5.5827 5.5827 5.5827 5.5827 5.7499 5.7499 5.7499 5.7499 7.0196 7.0196 7.0196 7.0196 7.6984 7.6984 7.6984 7.6984 7.8770 7.8770 7.8770 7.8770 10.0485 10.0485 10.0485 10.0485 11.9583 11.9583 11.9583 11.9583 k = 0.0000 0.3736 0.1396 ( 4114 PWs) bands (ev): -6.7823 -6.7823 -6.7823 -6.7823 -4.4339 -4.4339 -4.4339 -4.4339 1.9215 1.9215 1.9215 1.9215 3.9692 3.9692 3.9692 3.9692 4.2138 4.2138 4.2138 4.2138 5.2176 5.2176 5.2176 5.2176 5.4375 5.4375 5.4375 5.4375 5.5765 5.5765 5.5765 5.5765 5.7775 5.7775 5.7775 5.7775 7.0289 7.0289 7.0289 7.0289 7.6369 7.6369 7.6369 7.6369 7.8447 7.8447 7.8447 7.8447 10.1099 10.1099 10.1099 10.1099 11.9498 11.9498 11.9498 11.9498 k = 0.0000 0.3736 0.1512 ( 4122 PWs) bands (ev): -6.7769 -6.7769 -6.7769 -6.7769 -4.4483 -4.4483 -4.4483 -4.4483 1.9745 1.9745 1.9745 1.9745 3.9145 3.9145 3.9145 3.9145 4.2115 4.2115 4.2115 4.2115 5.2342 5.2342 5.2342 5.2342 5.4408 5.4408 5.4408 5.4408 5.5705 5.5705 5.5705 5.5705 5.8106 5.8106 5.8106 5.8106 7.0387 7.0387 7.0387 7.0387 7.5718 7.5718 7.5718 7.5718 7.8141 7.8141 7.8141 7.8141 10.1696 10.1696 10.1696 10.1696 11.9448 11.9448 11.9448 11.9448 k = 0.0000 0.3736 0.1629 ( 4122 PWs) bands (ev): -6.7714 -6.7714 -6.7714 -6.7714 -4.4628 -4.4628 -4.4628 -4.4628 2.0300 2.0300 2.0300 2.0300 3.8582 3.8582 3.8582 3.8582 4.2094 4.2094 4.2094 4.2094 5.2476 5.2476 5.2476 5.2476 5.4433 5.4433 5.4433 5.4433 5.5655 5.5655 5.5655 5.5655 5.8488 5.8488 5.8488 5.8488 7.0485 7.0485 7.0485 7.0485 7.5048 7.5048 7.5048 7.5048 7.7846 7.7846 7.7846 7.7846 10.2267 10.2267 10.2267 10.2267 11.9443 11.9443 11.9443 11.9443 k = 0.0000 0.3736 0.1745 ( 4128 PWs) bands (ev): -6.7659 -6.7659 -6.7659 -6.7659 -4.4770 -4.4770 -4.4770 -4.4770 2.0877 2.0877 2.0877 2.0877 3.8006 3.8006 3.8006 3.8006 4.2073 4.2073 4.2073 4.2073 5.2579 5.2579 5.2579 5.2579 5.4447 5.4447 5.4447 5.4447 5.5617 5.5617 5.5617 5.5617 5.8914 5.8914 5.8914 5.8914 7.0580 7.0580 7.0580 7.0580 7.4373 7.4373 7.4373 7.4373 7.7556 7.7556 7.7556 7.7556 10.2807 10.2807 10.2807 10.2807 11.9487 11.9487 11.9487 11.9487 k = 0.0000 0.3736 0.1861 ( 4128 PWs) bands (ev): -6.7606 -6.7606 -6.7606 -6.7606 -4.4908 -4.4908 -4.4908 -4.4908 2.1472 2.1472 2.1472 2.1472 3.7419 3.7419 3.7419 3.7419 4.2053 4.2053 4.2053 4.2053 5.2653 5.2653 5.2653 5.2653 5.4453 5.4453 5.4453 5.4453 5.5593 5.5593 5.5593 5.5593 5.9383 5.9383 5.9383 5.9383 7.0659 7.0659 7.0659 7.0659 7.3709 7.3709 7.3709 7.3709 7.7271 7.7271 7.7271 7.7271 10.3309 10.3309 10.3309 10.3309 11.9588 11.9588 11.9588 11.9588 k = 0.0000 0.3736 0.1978 ( 4122 PWs) bands (ev): -6.7554 -6.7554 -6.7554 -6.7554 -4.5040 -4.5040 -4.5040 -4.5040 2.2079 2.2079 2.2079 2.2079 3.6824 3.6824 3.6824 3.6824 4.2035 4.2035 4.2035 4.2035 5.2703 5.2703 5.2703 5.2703 5.4452 5.4452 5.4452 5.4452 5.5581 5.5581 5.5581 5.5581 5.9887 5.9887 5.9887 5.9887 7.0702 7.0702 7.0702 7.0702 7.3081 7.3081 7.3081 7.3081 7.6991 7.6991 7.6991 7.6991 10.3767 10.3767 10.3767 10.3767 11.9749 11.9749 11.9749 11.9749 k = 0.0000 0.3736 0.2094 ( 4122 PWs) bands (ev): -6.7505 -6.7505 -6.7505 -6.7505 -4.5164 -4.5164 -4.5164 -4.5164 2.2692 2.2692 2.2692 2.2692 3.6226 3.6226 3.6226 3.6226 4.2017 4.2017 4.2017 4.2017 5.2732 5.2732 5.2732 5.2732 5.4446 5.4446 5.4446 5.4446 5.5580 5.5580 5.5580 5.5580 6.0421 6.0421 6.0421 6.0421 7.0658 7.0658 7.0658 7.0658 7.2542 7.2542 7.2542 7.2542 7.6719 7.6719 7.6719 7.6719 10.4179 10.4179 10.4179 10.4179 11.9974 11.9974 11.9974 11.9974 k = 0.0000 0.3736 0.2211 ( 4114 PWs) bands (ev): -6.7460 -6.7460 -6.7460 -6.7460 -4.5278 -4.5278 -4.5278 -4.5278 2.3305 2.3305 2.3305 2.3305 3.5631 3.5631 3.5631 3.5631 4.2002 4.2002 4.2002 4.2002 5.2745 5.2745 5.2745 5.2745 5.4439 5.4439 5.4439 5.4439 5.5586 5.5586 5.5586 5.5586 6.0982 6.0982 6.0982 6.0982 7.0444 7.0444 7.0444 7.0444 7.2177 7.2177 7.2177 7.2177 7.6456 7.6456 7.6456 7.6456 10.4541 10.4541 10.4541 10.4541 12.0265 12.0265 12.0265 12.0265 k = 0.0000 0.3736 0.2327 ( 4114 PWs) bands (ev): -6.7419 -6.7419 -6.7419 -6.7419 -4.5380 -4.5380 -4.5380 -4.5380 2.3907 2.3907 2.3907 2.3907 3.5047 3.5047 3.5047 3.5047 4.1988 4.1988 4.1988 4.1988 5.2745 5.2745 5.2745 5.2745 5.4432 5.4432 5.4432 5.4432 5.5597 5.5597 5.5597 5.5597 6.1562 6.1562 6.1562 6.1562 7.0021 7.0021 7.0021 7.0021 7.2025 7.2025 7.2025 7.2025 7.6207 7.6207 7.6207 7.6207 10.4852 10.4852 10.4852 10.4852 12.0619 12.0619 12.0619 12.0619 k = 0.0000 0.3736 0.2443 ( 4106 PWs) bands (ev): -6.7384 -6.7384 -6.7384 -6.7384 -4.5469 -4.5469 -4.5469 -4.5469 2.4487 2.4487 2.4487 2.4487 3.4484 3.4484 3.4484 3.4484 4.1976 4.1976 4.1976 4.1976 5.2739 5.2739 5.2739 5.2739 5.4426 5.4426 5.4426 5.4426 5.5610 5.5610 5.5610 5.5610 6.2156 6.2156 6.2156 6.2156 6.9462 6.9462 6.9462 6.9462 7.2015 7.2015 7.2015 7.2015 7.5977 7.5977 7.5977 7.5977 10.5111 10.5111 10.5111 10.5111 12.1035 12.1035 12.1035 12.1035 k = 0.0000 0.3736 0.2560 ( 4120 PWs) bands (ev): -6.7353 -6.7353 -6.7353 -6.7353 -4.5544 -4.5544 -4.5544 -4.5544 2.5027 2.5027 2.5027 2.5027 3.3959 3.3959 3.3959 3.3959 4.1965 4.1965 4.1965 4.1965 5.2727 5.2727 5.2727 5.2727 5.4420 5.4420 5.4420 5.4420 5.5623 5.5623 5.5623 5.5623 6.2753 6.2753 6.2753 6.2753 6.8848 6.8848 6.8848 6.8848 7.2068 7.2068 7.2068 7.2068 7.5771 7.5771 7.5771 7.5771 10.5320 10.5320 10.5320 10.5320 12.1504 12.1504 12.1504 12.1504 k = 0.0000 0.3736 0.2676 ( 4120 PWs) bands (ev): -6.7329 -6.7329 -6.7329 -6.7329 -4.5603 -4.5603 -4.5603 -4.5603 2.5505 2.5505 2.5505 2.5505 3.3495 3.3495 3.3495 3.3495 4.1957 4.1957 4.1957 4.1957 5.2715 5.2715 5.2715 5.2715 5.4416 5.4416 5.4416 5.4416 5.5635 5.5635 5.5635 5.5635 6.3340 6.3340 6.3340 6.3340 6.8232 6.8232 6.8232 6.8232 7.2139 7.2139 7.2139 7.2139 7.5597 7.5597 7.5597 7.5597 10.5481 10.5481 10.5481 10.5481 12.2012 12.2012 12.2012 12.2012 k = 0.0000 0.3736 0.2792 ( 4118 PWs) bands (ev): -6.7312 -6.7312 -6.7312 -6.7312 -4.5646 -4.5646 -4.5646 -4.5646 2.5888 2.5888 2.5888 2.5888 3.3121 3.3121 3.3121 3.3121 4.1952 4.1952 4.1952 4.1952 5.2705 5.2705 5.2705 5.2705 5.4413 5.4413 5.4413 5.4413 5.5644 5.5644 5.5644 5.5644 6.3885 6.3885 6.3885 6.3885 6.7660 6.7660 6.7660 6.7660 7.2206 7.2206 7.2206 7.2206 7.5464 7.5464 7.5464 7.5464 10.5594 10.5594 10.5594 10.5594 12.2530 12.2530 12.2530 12.2530 k = 0.0000 0.3736 0.2909 ( 4112 PWs) bands (ev): -6.7301 -6.7301 -6.7301 -6.7301 -4.5672 -4.5672 -4.5672 -4.5672 2.6140 2.6140 2.6140 2.6140 3.2875 3.2875 3.2875 3.2875 4.1948 4.1948 4.1948 4.1948 5.2698 5.2698 5.2698 5.2698 5.4412 5.4412 5.4412 5.4412 5.5650 5.5650 5.5650 5.5650 6.4319 6.4319 6.4319 6.4319 6.7209 6.7209 6.7209 6.7209 7.2252 7.2252 7.2252 7.2252 7.5380 7.5380 7.5380 7.5380 10.5661 10.5661 10.5661 10.5661 12.2985 12.2985 12.2985 12.2985 k = 0.0000 0.3736 0.3025 ( 4104 PWs) bands (ev): -6.7297 -6.7297 -6.7297 -6.7297 -4.5681 -4.5681 -4.5681 -4.5681 2.6229 2.6229 2.6229 2.6229 3.2788 3.2788 3.2788 3.2788 4.1947 4.1947 4.1947 4.1947 5.2696 5.2696 5.2696 5.2696 5.4411 5.4411 5.4411 5.4411 5.5652 5.5652 5.5652 5.5652 6.4499 6.4499 6.4499 6.4499 6.7023 6.7023 6.7023 6.7023 7.2269 7.2269 7.2269 7.2269 7.5351 7.5351 7.5351 7.5351 10.5683 10.5683 10.5683 10.5683 12.3190 12.3190 12.3190 12.3190 k = 0.5000-0.0000 0.3025 ( 4072 PWs) bands (ev): -6.6131 -6.6131 -6.6122 -6.6122 -3.6777 -3.6777 -3.6743 -3.6743 1.8467 1.8467 1.9009 1.9009 3.0356 3.0356 3.0594 3.0594 3.9906 3.9906 4.0359 4.0359 5.1030 5.1030 5.1358 5.1358 5.2904 5.2904 5.3168 5.3168 5.4121 5.4121 5.4234 5.4234 5.6504 5.6504 5.6972 5.6972 5.7059 5.7059 5.7801 5.7801 6.0624 6.0624 6.1349 6.1349 7.5659 7.5659 7.6120 7.6120 10.2551 10.2551 10.2778 10.2778 11.8422 11.8422 11.9676 11.9676 k = 0.5000-0.0000 0.2909 ( 4080 PWs) bands (ev): -6.6133 -6.6133 -6.6123 -6.6123 -3.6773 -3.6773 -3.6739 -3.6739 1.8470 1.8470 1.9011 1.9011 3.0358 3.0358 3.0598 3.0598 3.9902 3.9902 4.0357 4.0357 5.1019 5.1019 5.1336 5.1336 5.2923 5.2923 5.3141 5.3141 5.4136 5.4136 5.4211 5.4211 5.6496 5.6496 5.6831 5.6831 5.7131 5.7131 5.7752 5.7752 6.0704 6.0704 6.1412 6.1412 7.5666 7.5666 7.6127 7.6127 10.2536 10.2536 10.2765 10.2765 11.8418 11.8418 11.9662 11.9662 k = 0.5000-0.0000 0.2792 ( 4080 PWs) bands (ev): -6.6137 -6.6137 -6.6128 -6.6128 -3.6760 -3.6760 -3.6727 -3.6727 1.8481 1.8481 1.9018 1.9018 3.0363 3.0363 3.0611 3.0611 3.9892 3.9892 4.0352 4.0352 5.0987 5.0987 5.1277 5.1277 5.2967 5.2967 5.3056 5.3056 5.4146 5.4146 5.4185 5.4185 5.6472 5.6472 5.6597 5.6597 5.7188 5.7188 5.7626 5.7626 6.0924 6.0924 6.1585 6.1585 7.5687 7.5687 7.6150 7.6150 10.2491 10.2491 10.2727 10.2727 11.8407 11.8407 11.9624 11.9624 k = 0.5000-0.0000 0.2676 ( 4080 PWs) bands (ev): -6.6145 -6.6145 -6.6136 -6.6136 -3.6740 -3.6740 -3.6707 -3.6707 1.8499 1.8499 1.9028 1.9028 3.0372 3.0372 3.0633 3.0633 3.9875 3.9875 4.0342 4.0342 5.0936 5.0936 5.1191 5.1191 5.2900 5.2900 5.2987 5.2987 5.4055 5.4055 5.4266 5.4266 5.6345 5.6345 5.6431 5.6431 5.7223 5.7223 5.7466 5.7466 6.1238 6.1238 6.1837 6.1837 7.5721 7.5721 7.6185 7.6185 10.2415 10.2415 10.2661 10.2661 11.8394 11.8394 11.9568 11.9568 k = 0.5000-0.0000 0.2560 ( 4076 PWs) bands (ev): -6.6156 -6.6156 -6.6147 -6.6147 -3.6711 -3.6711 -3.6678 -3.6678 1.8524 1.8524 1.9043 1.9043 3.0385 3.0385 3.0664 3.0664 3.9850 3.9850 4.0329 4.0329 5.0868 5.0868 5.1090 5.1090 5.2663 5.2663 5.2893 5.2893 5.3996 5.3996 5.4377 5.4377 5.6129 5.6129 5.6375 5.6375 5.7248 5.7248 5.7320 5.7320 6.1603 6.1603 6.2135 6.2135 7.5764 7.5764 7.6230 7.6230 10.2302 10.2302 10.2562 10.2562 11.8388 11.8388 11.9505 11.9505 k = 0.5000-0.0000 0.2443 ( 4086 PWs) bands (ev): -6.6169 -6.6169 -6.6161 -6.6161 -3.6675 -3.6675 -3.6643 -3.6643 1.8555 1.8555 1.9061 1.9061 3.0403 3.0403 3.0704 3.0704 3.9817 3.9817 4.0310 4.0310 5.0784 5.0784 5.0980 5.0980 5.2343 5.2343 5.2607 5.2607 5.4030 5.4030 5.4508 5.4508 5.5982 5.5982 5.6313 5.6313 5.7214 5.7214 5.7271 5.7271 6.1990 6.1990 6.2456 6.2456 7.5814 7.5814 7.6281 7.6281 10.2151 10.2151 10.2426 10.2426 11.8396 11.8396 11.9447 11.9447 k = 0.5000-0.0000 0.2327 ( 4088 PWs) bands (ev): -6.6185 -6.6185 -6.6177 -6.6177 -3.6632 -3.6632 -3.6601 -3.6601 1.8593 1.8593 1.9083 1.9083 3.0428 3.0428 3.0755 3.0755 3.9776 3.9776 4.0286 4.0286 5.0675 5.0675 5.0858 5.0858 5.1954 5.1954 5.2159 5.2159 5.4142 5.4142 5.4647 5.4647 5.5912 5.5912 5.6264 5.6264 5.7155 5.7155 5.7296 5.7296 6.2384 6.2384 6.2787 6.2787 7.5867 7.5867 7.6332 7.6332 10.1959 10.1959 10.2250 10.2250 11.8422 11.8422 11.9400 11.9400 k = 0.5000-0.0000 0.2211 ( 4096 PWs) bands (ev): -6.6204 -6.6204 -6.6196 -6.6196 -3.6583 -3.6583 -3.6552 -3.6552 1.8636 1.8636 1.9109 1.9109 3.0459 3.0459 3.0817 3.0817 3.9725 3.9725 4.0256 4.0256 5.0512 5.0512 5.0702 5.0702 5.1541 5.1541 5.1638 5.1638 5.4286 5.4286 5.4781 5.4781 5.5908 5.5908 5.6245 5.6245 5.7139 5.7139 5.7327 5.7327 6.2775 6.2775 6.3120 6.3120 7.5917 7.5917 7.6380 7.6380 10.1725 10.1725 10.2032 10.2032 11.8467 11.8467 11.9368 11.9368 k = 0.5000-0.0000 0.2094 ( 4098 PWs) bands (ev): -6.6224 -6.6224 -6.6216 -6.6216 -3.6528 -3.6528 -3.6498 -3.6498 1.8686 1.8686 1.9138 1.9138 3.0500 3.0500 3.0890 3.0890 3.9664 3.9664 4.0218 4.0218 5.0223 5.0223 5.0419 5.0419 5.1183 5.1183 5.1193 5.1193 5.4432 5.4432 5.4899 5.4899 5.5958 5.5958 5.6262 5.6262 5.7161 5.7161 5.7366 5.7366 6.3159 6.3159 6.3451 6.3451 7.5961 7.5961 7.6419 7.6419 10.1451 10.1451 10.1771 10.1771 11.8525 11.8525 11.9350 11.9350 k = 0.5000-0.0000 0.1978 ( 4106 PWs) bands (ev): -6.6246 -6.6246 -6.6239 -6.6239 -3.6469 -3.6469 -3.6439 -3.6439 1.8740 1.8740 1.9170 1.9170 3.0550 3.0550 3.0977 3.0977 3.9591 3.9591 4.0172 4.0172 4.9757 4.9757 4.9901 4.9901 5.0933 5.0933 5.0978 5.0978 5.4567 5.4567 5.4996 5.4996 5.6050 5.6050 5.6308 5.6308 5.7223 5.7223 5.7420 5.7420 6.3536 6.3536 6.3780 6.3780 7.5993 7.5993 7.6443 7.6443 10.1140 10.1140 10.1470 10.1470 11.8585 11.8585 11.9336 11.9336 k = 0.5000-0.0000 0.1861 ( 4112 PWs) bands (ev): -6.6270 -6.6270 -6.6262 -6.6262 -3.6405 -3.6405 -3.6377 -3.6377 1.8799 1.8799 1.9205 1.9205 3.0611 3.0611 3.1077 3.1077 3.9505 3.9505 4.0115 4.0115 4.9168 4.9168 4.9245 4.9245 5.0814 5.0814 5.0862 5.0862 5.4683 5.4683 5.5074 5.5074 5.6167 5.6167 5.6367 5.6367 5.7327 5.7327 5.7493 5.7493 6.3905 6.3905 6.4108 6.4108 7.6009 7.6009 7.6448 7.6448 10.0800 10.0800 10.1135 10.1135 11.8633 11.8633 11.9313 11.9313 k = 0.5000-0.0000 0.1745 ( 4112 PWs) bands (ev): -6.6294 -6.6294 -6.6287 -6.6287 -3.6339 -3.6339 -3.6312 -3.6312 1.8861 1.8861 1.9243 1.9243 3.0686 3.0686 3.1192 3.1192 3.9403 3.9403 4.0046 4.0046 4.8521 4.8521 4.8546 4.8546 5.0745 5.0745 5.0794 5.0794 5.4782 5.4782 5.5136 5.5136 5.6292 5.6292 5.6425 5.6425 5.7472 5.7472 5.7590 5.7590 6.4271 6.4271 6.4437 6.4437 7.6004 7.6004 7.6428 7.6428 10.0438 10.0438 10.0773 10.0773 11.8650 11.8650 11.9265 11.9265 k = 0.5000-0.0000 0.1629 ( 4124 PWs) bands (ev): -6.6320 -6.6320 -6.6313 -6.6313 -3.6270 -3.6270 -3.6244 -3.6244 1.8927 1.8927 1.9281 1.9281 3.0776 3.0776 3.1324 3.1324 3.9282 3.9282 3.9962 3.9962 4.7841 4.7841 4.7851 4.7851 5.0701 5.0701 5.0751 5.0751 5.4867 5.4867 5.5188 5.5188 5.6410 5.6410 5.6473 5.6473 5.7652 5.7652 5.7717 5.7717 6.4634 6.4634 6.4769 6.4769 7.5974 7.5974 7.6381 7.6381 10.0062 10.0062 10.0392 10.0392 11.8622 11.8622 11.9177 11.9177 k = 0.5000-0.0000 0.1512 ( 4122 PWs) bands (ev): -6.6345 -6.6345 -6.6339 -6.6339 -3.6201 -3.6201 -3.6176 -3.6176 1.8994 1.8994 1.9321 1.9321 3.0882 3.0882 3.1472 3.1472 3.9140 3.9140 3.9861 3.9861 4.7150 4.7150 4.7179 4.7179 5.0673 5.0673 5.0725 5.0725 5.4940 5.4940 5.5233 5.5233 5.6509 5.6509 5.6510 5.6510 5.7856 5.7856 5.7873 5.7873 6.4999 6.4999 6.5108 6.5108 7.5916 7.5916 7.6301 7.6301 9.9683 9.9683 10.0002 10.0002 11.8538 11.8538 11.9038 11.9038 k = 0.5000-0.0000 0.1396 ( 4122 PWs) bands (ev): -6.6370 -6.6370 -6.6364 -6.6364 -3.6131 -3.6131 -3.6108 -3.6108 1.9063 1.9063 1.9362 1.9362 3.1007 3.1007 3.1638 3.1638 3.8972 3.8972 3.9737 3.9737 4.6487 4.6487 4.6522 4.6522 5.0657 5.0657 5.0710 5.0710 5.5007 5.5007 5.5275 5.5275 5.6538 5.6538 5.6586 5.6586 5.8053 5.8053 5.8073 5.8073 6.5368 6.5368 6.5456 6.5456 7.5827 7.5827 7.6188 7.6188 9.9309 9.9309 9.9612 9.9612 11.8395 11.8395 11.8845 11.8845 k = 0.5000-0.0000 0.1280 ( 4122 PWs) bands (ev): -6.6395 -6.6395 -6.6390 -6.6390 -3.6062 -3.6062 -3.6041 -3.6041 1.9131 1.9131 1.9403 1.9403 3.1151 3.1151 3.1824 3.1824 3.8776 3.8776 3.9586 3.9586 4.5862 4.5862 4.5893 4.5893 5.0649 5.0649 5.0703 5.0703 5.5067 5.5067 5.5313 5.5313 5.6560 5.6560 5.6643 5.6643 5.8248 5.8248 5.8292 5.8292 6.5743 6.5743 6.5814 6.5814 7.5705 7.5705 7.6039 7.6039 9.8947 9.8947 9.9232 9.9232 11.8196 11.8196 11.8600 11.8600 k = 0.5000-0.0000 0.1163 ( 4124 PWs) bands (ev): -6.6419 -6.6419 -6.6414 -6.6414 -3.5995 -3.5995 -3.5975 -3.5975 1.9199 1.9199 1.9443 1.9443 3.1316 3.1316 3.2029 3.2029 3.8546 3.8546 3.9403 3.9403 4.5285 4.5285 4.5304 4.5304 5.0648 5.0648 5.0702 5.0702 5.5124 5.5124 5.5349 5.5349 5.6577 5.6577 5.6683 5.6683 5.8449 5.8449 5.8506 5.8506 6.6127 6.6127 6.6184 6.6184 7.5548 7.5548 7.5853 7.5853 9.8606 9.8606 9.8867 9.8867 11.7952 11.7952 11.8313 11.8313 k = 0.5000-0.0000 0.1047 ( 4134 PWs) bands (ev): -6.6442 -6.6442 -6.6438 -6.6438 -3.5932 -3.5932 -3.5913 -3.5913 1.9265 1.9265 1.9481 1.9481 3.1504 3.1504 3.2254 3.2254 3.8281 3.8281 3.9183 3.9183 4.4764 4.4764 4.4767 4.4767 5.0653 5.0653 5.0704 5.0704 5.5176 5.5176 5.5382 5.5382 5.6591 5.6591 5.6709 5.6709 5.8646 5.8646 5.8709 5.8709 6.6519 6.6519 6.6565 6.6565 7.5358 7.5358 7.5633 7.5633 9.8290 9.8290 9.8526 9.8526 11.7675 11.7675 11.7998 11.7998 k = 0.5000-0.0000 0.0931 ( 4130 PWs) bands (ev): -6.6464 -6.6464 -6.6460 -6.6460 -3.5872 -3.5872 -3.5855 -3.5855 1.9329 1.9329 1.9517 1.9517 3.1715 3.1715 3.2499 3.2499 3.7981 3.7981 3.8922 3.8922 4.4290 4.4290 4.4305 4.4305 5.0662 5.0662 5.0711 5.0711 5.5226 5.5226 5.5413 5.5413 5.6604 5.6604 5.6727 5.6727 5.8833 5.8833 5.8896 5.8896 6.6920 6.6920 6.6957 6.6957 7.5136 7.5136 7.5379 7.5379 9.8004 9.8004 9.8214 9.8214 11.7382 11.7382 11.7667 11.7667 k = 0.5000-0.0000 0.0814 ( 4134 PWs) bands (ev): -6.6483 -6.6483 -6.6480 -6.6480 -3.5816 -3.5816 -3.5802 -3.5802 1.9388 1.9388 1.9550 1.9550 3.1951 3.1951 3.2763 3.2763 3.7648 3.7648 3.8618 3.8618 4.3880 4.3880 4.3911 4.3911 5.0673 5.0673 5.0718 5.0718 5.5273 5.5273 5.5440 5.5440 5.6615 5.6615 5.6736 5.6736 5.9006 5.9006 5.9065 5.9065 6.7326 6.7326 6.7357 6.7357 7.4885 7.4885 7.5097 7.5097 9.7751 9.7751 9.7934 9.7934 11.7088 11.7088 11.7336 11.7336 k = 0.5000-0.0000 0.0698 ( 4138 PWs) bands (ev): -6.6501 -6.6501 -6.6498 -6.6498 -3.5766 -3.5766 -3.5754 -3.5754 1.9442 1.9442 1.9579 1.9579 3.2210 3.2210 3.3044 3.3044 3.7288 3.7288 3.8275 3.8275 4.3539 4.3539 4.3580 4.3580 5.0686 5.0686 5.0726 5.0726 5.5317 5.5317 5.5464 5.5464 5.6626 5.6626 5.6740 5.6740 5.9160 5.9160 5.9212 5.9212 6.7733 6.7733 6.7758 6.7758 7.4612 7.4612 7.4793 7.4793 9.7534 9.7534 9.7688 9.7688 11.6807 11.6807 11.7019 11.7019 k = 0.5000-0.0000 0.0582 ( 4142 PWs) bands (ev): -6.6516 -6.6516 -6.6513 -6.6513 -3.5723 -3.5723 -3.5712 -3.5712 1.9492 1.9492 1.9603 1.9603 3.2491 3.2491 3.3337 3.3337 3.6914 3.6914 3.7898 3.7898 4.3266 4.3266 4.3311 4.3311 5.0698 5.0698 5.0734 5.0734 5.5357 5.5357 5.5483 5.5483 5.6638 5.6638 5.6739 5.6739 5.9293 5.9293 5.9338 5.9338 6.8133 6.8133 6.8153 6.8153 7.4326 7.4326 7.4475 7.4475 9.7352 9.7352 9.7479 9.7479 11.6550 11.6550 11.6728 11.6728 k = 0.5000-0.0000 0.0465 ( 4132 PWs) bands (ev): -6.6529 -6.6529 -6.6527 -6.6527 -3.5686 -3.5686 -3.5677 -3.5677 1.9535 1.9535 1.9623 1.9623 3.2793 3.2793 3.3632 3.3632 3.6543 3.6543 3.7499 3.7499 4.3056 4.3056 4.3099 4.3099 5.0712 5.0712 5.0741 5.0741 5.5394 5.5394 5.5496 5.5496 5.6650 5.6650 5.6735 5.6735 5.9404 5.9404 5.9440 5.9440 6.8515 6.8515 6.8529 6.8529 7.4038 7.4038 7.4158 7.4158 9.7207 9.7207 9.7307 9.7307 11.6330 11.6330 11.6472 11.6472 k = 0.5000-0.0000 0.0349 ( 4128 PWs) bands (ev): -6.6539 -6.6539 -6.6537 -6.6537 -3.5656 -3.5656 -3.5650 -3.5650 1.9571 1.9571 1.9636 1.9636 3.3111 3.3111 3.3904 3.3904 3.6204 3.6204 3.7091 3.7091 4.2903 4.2903 4.2939 4.2939 5.0724 5.0724 5.0746 5.0746 5.5426 5.5426 5.5504 5.5504 5.6662 5.6662 5.6729 5.6729 5.9492 5.9492 5.9519 5.9519 6.8861 6.8861 6.8870 6.8870 7.3769 7.3769 7.3859 7.3859 9.7097 9.7097 9.7171 9.7171 11.6153 11.6153 11.6260 11.6260 k = 0.5000-0.0000 0.0233 ( 4128 PWs) bands (ev): -6.6546 -6.6546 -6.6545 -6.6545 -3.5635 -3.5635 -3.5631 -3.5631 1.9600 1.9600 1.9643 1.9643 3.3436 3.3436 3.4106 3.4106 3.5956 3.5956 3.6690 3.6690 4.2800 4.2800 4.2826 4.2826 5.0733 5.0733 5.0748 5.0748 5.5453 5.5453 5.5506 5.5506 5.6674 5.6674 5.6720 5.6720 5.9556 5.9556 5.9574 5.9574 6.9145 6.9145 6.9150 6.9150 7.3542 7.3542 7.3603 7.3603 9.7022 9.7022 9.7071 9.7071 11.6028 11.6028 11.6099 11.6099 k = 0.5000-0.0000 0.0116 ( 4128 PWs) bands (ev): -6.6550 -6.6550 -6.6550 -6.6550 -3.5621 -3.5621 -3.5619 -3.5619 1.9622 1.9622 1.9643 1.9643 3.3749 3.3749 3.4154 3.4154 3.5884 3.5884 3.6321 3.6321 4.2744 4.2744 4.2757 4.2757 5.0741 5.0741 5.0749 5.0749 5.5475 5.5475 5.5502 5.5502 5.6687 5.6687 5.6710 5.6710 5.9596 5.9596 5.9605 5.9605 6.9336 6.9336 6.9339 6.9339 7.3392 7.3392 7.3423 7.3423 9.6983 9.6983 9.7007 9.7007 11.5958 11.5958 11.5994 11.5994 k = 0.5000-0.0000-0.0000 ( 4124 PWs) bands (ev): -6.6552 -6.6552 -6.6552 -6.6552 -3.5616 -3.5616 -3.5616 -3.5616 1.9636 1.9636 1.9636 1.9636 3.4013 3.4013 3.4013 3.4013 3.6028 3.6028 3.6028 3.6028 4.2730 4.2730 4.2730 4.2730 5.0746 5.0746 5.0746 5.0746 5.5492 5.5492 5.5492 5.5492 5.6699 5.6699 5.6699 5.6699 5.9613 5.9613 5.9613 5.9613 6.9405 6.9405 6.9405 6.9405 7.3348 7.3348 7.3348 7.3348 9.6978 9.6978 9.6978 9.6978 11.5946 11.5946 11.5946 11.5946 k = 0.5000 0.3736-0.0000 ( 4108 PWs) bands (ev): -6.4609 -6.4609 -6.4596 -6.4596 -3.9489 -3.9489 -3.9460 -3.9460 2.7385 2.7385 2.8391 2.8391 2.8775 2.8775 2.9108 2.9108 3.4381 3.4381 3.5442 3.5442 4.0205 4.0205 4.1865 4.1865 4.5165 4.5165 4.5193 4.5193 5.3350 5.3350 5.4599 5.4599 5.5416 5.5416 5.6020 5.6020 5.6899 5.6899 5.7147 5.7147 6.6697 6.6697 6.6977 6.6977 9.1064 9.1064 9.1893 9.1893 10.2614 10.2614 10.3632 10.3632 13.6597 13.6597 13.7904 13.7904 k = 0.5000 0.3736 0.0116 ( 4108 PWs) bands (ev): -6.4607 -6.4607 -6.4595 -6.4595 -3.9491 -3.9491 -3.9462 -3.9462 2.7228 2.7228 2.8088 2.8088 2.8881 2.8881 2.9365 2.9365 3.4379 3.4379 3.5458 3.5458 4.0270 4.0270 4.1915 4.1915 4.5172 4.5172 4.5200 4.5200 5.3358 5.3358 5.4606 5.4606 5.5418 5.5418 5.6020 5.6020 5.6900 5.6900 5.7149 5.7149 6.6709 6.6709 6.6987 6.6987 9.1052 9.1052 9.1882 9.1882 10.2583 10.2583 10.3599 10.3599 13.6540 13.6540 13.7841 13.7841 k = 0.5000 0.3736 0.0233 ( 4112 PWs) bands (ev): -6.4603 -6.4603 -6.4591 -6.4591 -3.9496 -3.9496 -3.9467 -3.9467 2.6862 2.6862 2.7566 2.7566 2.9091 2.9091 2.9735 2.9735 3.4393 3.4393 3.5513 3.5513 4.0457 4.0457 4.2058 4.2058 4.5194 4.5194 4.5220 4.5220 5.3384 5.3384 5.4626 5.4626 5.5425 5.5425 5.6019 5.6019 5.6901 5.6901 5.7152 5.7152 6.6746 6.6746 6.7017 6.7017 9.1017 9.1017 9.1848 9.1848 10.2492 10.2492 10.3501 10.3501 13.6371 13.6371 13.7655 13.7655 k = 0.5000 0.3736 0.0349 ( 4104 PWs) bands (ev): -6.4597 -6.4597 -6.4585 -6.4585 -3.9504 -3.9504 -3.9475 -3.9475 2.6410 2.6410 2.7010 2.7010 2.9269 2.9269 3.0000 3.0000 3.4476 3.4476 3.5631 3.5631 4.0743 4.0743 4.2280 4.2280 4.5234 4.5234 4.5256 4.5256 5.3427 5.3427 5.4659 5.4659 5.5439 5.5439 5.6018 5.6018 5.6904 5.6904 5.7158 5.7158 6.6808 6.6808 6.7067 6.7067 9.0958 9.0958 9.1791 9.1791 10.2340 10.2340 10.3338 10.3338 13.6101 13.6101 13.7357 13.7357 k = 0.5000 0.3736 0.0465 ( 4104 PWs) bands (ev): -6.4588 -6.4588 -6.4576 -6.4576 -3.9514 -3.9514 -3.9486 -3.9486 2.5928 2.5928 2.6453 2.6453 2.9351 2.9351 3.0095 3.0095 3.4687 3.4687 3.5836 3.5836 4.1100 4.1100 4.2562 4.2562 4.5292 4.5292 4.5308 4.5308 5.3487 5.3487 5.4703 5.4703 5.5459 5.5459 5.6016 5.6016 5.6908 5.6908 5.7167 5.7167 6.6896 6.6896 6.7139 6.7139 9.0874 9.0874 9.1710 9.1710 10.2127 10.2127 10.3110 10.3110 13.5742 13.5742 13.6961 13.6961 k = 0.5000 0.3736 0.0582 ( 4112 PWs) bands (ev): -6.4577 -6.4577 -6.4565 -6.4565 -3.9528 -3.9528 -3.9500 -3.9500 2.5439 2.5439 2.5909 2.5909 2.9314 2.9314 3.0005 3.0005 3.5048 3.5048 3.6143 3.6143 4.1502 4.1502 4.2881 4.2881 4.5373 4.5373 4.5378 4.5378 5.3563 5.3563 5.4757 5.4757 5.5487 5.5487 5.6013 5.6013 5.6914 5.6914 5.7178 5.7178 6.7011 6.7011 6.7234 6.7234 9.0766 9.0766 9.1605 9.1605 10.1856 10.1856 10.2818 10.2818 13.5313 13.5313 13.6488 13.6488 k = 0.5000 0.3736 0.0698 ( 4116 PWs) bands (ev): -6.4564 -6.4564 -6.4552 -6.4552 -3.9544 -3.9544 -3.9517 -3.9517 2.4959 2.4959 2.5384 2.5384 2.9160 2.9160 2.9758 2.9758 3.5541 3.5541 3.6549 3.6549 4.1925 4.1925 4.3214 4.3214 4.5470 4.5470 4.5484 4.5484 5.3656 5.3656 5.4816 5.4816 5.5526 5.5526 5.6009 5.6009 5.6922 5.6922 5.7193 5.7193 6.7156 6.7156 6.7354 6.7354 9.0631 9.0631 9.1474 9.1474 10.1527 10.1527 10.2463 10.2463 13.4831 13.4831 13.5956 13.5956 k = 0.5000 0.3736 0.0814 ( 4116 PWs) bands (ev): -6.4549 -6.4549 -6.4537 -6.4537 -3.9563 -3.9563 -3.9537 -3.9537 2.4493 2.4493 2.4883 2.4883 2.8906 2.8906 2.9399 2.9399 3.6129 3.6129 3.7040 3.7040 4.2348 4.2348 4.3538 4.3538 4.5588 4.5588 4.5633 4.5633 5.3763 5.3763 5.4877 5.4877 5.5578 5.5578 5.6005 5.6005 5.6934 5.6934 5.7210 5.7210 6.7332 6.7332 6.7500 6.7500 9.0470 9.0470 9.1317 9.1317 10.1143 10.1143 10.2049 10.2049 13.4315 13.4315 13.5386 13.5386 k = 0.5000 0.3736 0.0931 ( 4116 PWs) bands (ev): -6.4532 -6.4532 -6.4521 -6.4521 -3.9584 -3.9584 -3.9558 -3.9558 2.4049 2.4049 2.4410 2.4410 2.8574 2.8574 2.8968 2.8968 3.6776 3.6776 3.7593 3.7593 4.2756 4.2756 4.3836 4.3836 4.5737 4.5737 4.5829 4.5829 5.3883 5.3883 5.4936 5.4936 5.5645 5.5645 5.6001 5.6001 5.6949 5.6949 5.7232 5.7232 6.7543 6.7543 6.7676 6.7676 9.0279 9.0279 9.1131 9.1131 10.0707 10.0707 10.1578 10.1578 13.3781 13.3781 13.4794 13.4794 k = 0.5000 0.3736 0.1047 ( 4116 PWs) bands (ev): -6.4513 -6.4513 -6.4503 -6.4503 -3.9607 -3.9607 -3.9582 -3.9582 2.3630 2.3630 2.3966 2.3966 2.8186 2.8186 2.8491 2.8491 3.7455 3.7455 3.8187 3.8187 4.3135 4.3135 4.4094 4.4094 4.5924 4.5924 4.6076 4.6076 5.4013 5.4013 5.4988 5.4988 5.5729 5.5729 5.5997 5.5997 5.6969 5.6969 5.7257 5.7257 6.7789 6.7789 6.7883 6.7883 9.0058 9.0058 9.0915 9.0915 10.0225 10.0225 10.1055 10.1055 13.3246 13.3246 13.4199 13.4199 k = 0.5000 0.3736 0.1163 ( 4112 PWs) bands (ev): -6.4494 -6.4494 -6.4483 -6.4483 -3.9631 -3.9631 -3.9607 -3.9607 2.3239 2.3239 2.3555 2.3555 2.7761 2.7761 2.7990 2.7990 3.8146 3.8146 3.8802 3.8802 4.3473 4.3473 4.4306 4.4306 4.6152 4.6152 4.6375 4.6375 5.4151 5.4151 5.5031 5.5031 5.5828 5.5828 5.5993 5.5993 5.6997 5.6997 5.7287 5.7287 6.8074 6.8074 6.8125 6.8125 8.9802 8.9802 9.0666 9.0666 9.9701 9.9701 10.0487 10.0487 13.2721 13.2721 13.3612 13.3612 k = 0.5000 0.3736 0.1280 ( 4112 PWs) bands (ev): -6.4473 -6.4473 -6.4463 -6.4463 -3.9656 -3.9656 -3.9634 -3.9634 2.2878 2.2878 2.3177 2.3177 2.7312 2.7312 2.7477 2.7477 3.8833 3.8833 3.9421 3.9421 4.3767 4.3767 4.4479 4.4479 4.6425 4.6425 4.6717 4.6717 5.4291 5.4291 5.5063 5.5063 5.5936 5.5936 5.5990 5.5990 5.7035 5.7035 5.7321 5.7321 6.8400 6.8400 6.8404 6.8404 8.9510 8.9510 9.0380 9.0380 9.9144 9.9144 9.9882 9.9882 13.2218 13.2218 13.3045 13.3045 k = 0.5000 0.3736 0.1396 ( 4104 PWs) bands (ev): -6.4451 -6.4451 -6.4442 -6.4442 -3.9683 -3.9683 -3.9662 -3.9662 2.2549 2.2549 2.2833 2.2833 2.6850 2.6850 2.6962 2.6962 3.9503 3.9503 4.0028 4.0028 4.4015 4.4015 4.4619 4.4619 4.6741 4.6741 4.7094 4.7094 5.4430 5.4430 5.5085 5.5085 5.5989 5.5989 5.6047 5.6047 5.7086 5.7086 5.7361 5.7361 6.8723 6.8723 6.8768 6.8768 8.9177 8.9177 9.0052 9.0052 9.8564 9.8564 9.9250 9.9250 13.1743 13.1743 13.2506 13.2506 k = 0.5000 0.3736 0.1512 ( 4108 PWs) bands (ev): -6.4430 -6.4430 -6.4421 -6.4421 -3.9710 -3.9710 -3.9690 -3.9690 2.2254 2.2254 2.2525 2.2525 2.6385 2.6385 2.6452 2.6452 4.0145 4.0145 4.0611 4.0611 4.4223 4.4223 4.4736 4.4736 4.7095 4.7095 4.7496 4.7496 5.4559 5.4559 5.5098 5.5098 5.5991 5.5991 5.6151 5.6151 5.7153 5.7153 5.7406 5.7406 6.9085 6.9085 6.9182 6.9182 8.8799 8.8799 8.9679 8.9679 9.7971 9.7971 9.8602 9.8602 13.1303 13.1303 13.2002 13.2002 k = 0.5000 0.3736 0.1629 ( 4108 PWs) bands (ev): -6.4408 -6.4408 -6.4399 -6.4399 -3.9737 -3.9737 -3.9718 -3.9718 2.1992 2.1992 2.2253 2.2253 2.5922 2.5922 2.5950 2.5950 4.0747 4.0747 4.1157 4.1157 4.4398 4.4398 4.4835 4.4835 4.7482 4.7482 4.7918 4.7918 5.4673 5.4673 5.5102 5.5102 5.5999 5.5999 5.6243 5.6243 5.7237 5.7237 5.7456 5.7456 6.9491 6.9491 6.9640 6.9640 8.8372 8.8372 8.9255 8.9255 9.7378 9.7378 9.7951 9.7951 13.0901 13.0901 13.1536 13.1536 k = 0.5000 0.3736 0.1745 ( 4116 PWs) bands (ev): -6.4386 -6.4386 -6.4378 -6.4378 -3.9763 -3.9763 -3.9746 -3.9746 2.1766 2.1766 2.2017 2.2017 2.5463 2.5463 2.5467 2.5467 4.1302 4.1302 4.1660 4.1660 4.4547 4.4547 4.4922 4.4922 4.7894 4.7894 4.8356 4.8356 5.4767 5.4767 5.5097 5.5097 5.6014 5.6014 5.6317 5.6317 5.7337 5.7337 5.7512 5.7512 6.9941 6.9941 7.0143 7.0143 8.7892 8.7892 8.8776 8.8776 9.6797 9.6797 9.7313 9.7313 13.0539 13.0539 13.1112 13.1112 k = 0.5000 0.3736 0.1861 ( 4112 PWs) bands (ev): -6.4365 -6.4365 -6.4358 -6.4358 -3.9789 -3.9789 -3.9773 -3.9773 2.1576 2.1576 2.1818 2.1818 2.4993 2.4993 2.5025 2.5025 4.1803 4.1803 4.2111 4.2111 4.4675 4.4675 4.4999 4.4999 4.8326 4.8326 4.8804 4.8804 5.4834 5.4834 5.5085 5.5085 5.6038 5.6038 5.6374 5.6374 5.7450 5.7450 5.7572 5.7572 7.0438 7.0438 7.0691 7.0691 8.7357 8.7357 8.8238 8.8238 9.6241 9.6241 9.6699 9.6699 13.0218 13.0218 13.0730 13.0730 k = 0.5000 0.3736 0.1978 ( 4116 PWs) bands (ev): -6.4345 -6.4345 -6.4338 -6.4338 -3.9814 -3.9814 -3.9800 -3.9800 2.1422 2.1422 2.1656 2.1656 2.4542 2.4542 2.4598 2.4598 4.2247 4.2247 4.2508 4.2508 4.4786 4.4786 4.5066 4.5066 4.8771 4.8771 4.9256 4.9256 5.4873 5.4873 5.5063 5.5063 5.6071 5.6071 5.6415 5.6415 5.7568 5.7568 5.7637 5.7637 7.0978 7.0978 7.1281 7.1281 8.6768 8.6768 8.7640 8.7640 9.5721 9.5721 9.6124 9.6124 12.9938 12.9938 13.0390 13.0390 k = 0.5000 0.3736 0.2094 ( 4104 PWs) bands (ev): -6.4326 -6.4326 -6.4320 -6.4320 -3.9837 -3.9837 -3.9824 -3.9824 2.1304 2.1304 2.1531 2.1531 2.4113 2.4113 2.4190 2.4190 4.2633 4.2633 4.2851 4.2851 4.4885 4.4885 4.5126 4.5126 4.9222 4.9222 4.9707 4.9707 5.4884 5.4884 5.5033 5.5033 5.6111 5.6111 5.6444 5.6444 5.7685 5.7685 5.7706 5.7706 7.1561 7.1561 7.1908 7.1908 8.6127 8.6127 8.6983 8.6983 9.5246 9.5246 9.5597 9.5597 12.9697 12.9697 13.0091 13.0091 k = 0.5000 0.3736 0.2211 ( 4100 PWs) bands (ev): -6.4308 -6.4308 -6.4303 -6.4303 -3.9859 -3.9859 -3.9847 -3.9847 2.1223 2.1223 2.1442 2.1442 2.3708 2.3708 2.3802 2.3802 4.2961 4.2961 4.3140 4.3140 4.4972 4.4972 4.5177 4.5177 4.9670 4.9670 5.0145 5.0145 5.4869 5.4869 5.4993 5.4993 5.6156 5.6156 5.6462 5.6462 5.7775 5.7775 5.7795 5.7795 7.2181 7.2181 7.2567 7.2567 8.5442 8.5442 8.6275 8.6275 9.4824 9.4824 9.5125 9.5125 12.9495 12.9495 12.9833 12.9833 k = 0.5000 0.3736 0.2327 ( 4100 PWs) bands (ev): -6.4292 -6.4292 -6.4288 -6.4288 -3.9878 -3.9878 -3.9868 -3.9868 2.1178 2.1178 2.1391 2.1391 2.3329 2.3329 2.3438 2.3438 4.3235 4.3235 4.3379 4.3379 4.5048 4.5048 4.5220 4.5220 5.0106 5.0106 5.0560 5.0560 5.4831 5.4831 5.4944 5.4944 5.6203 5.6203 5.6472 5.6472 5.7844 5.7844 5.7894 5.7894 7.2831 7.2831 7.3248 7.3248 8.4726 8.4726 8.5525 8.5525 9.4460 9.4460 9.4714 9.4714 12.9328 12.9328 12.9612 12.9612 k = 0.5000 0.3736 0.2443 ( 4096 PWs) bands (ev): -6.4278 -6.4278 -6.4275 -6.4275 -3.9894 -3.9894 -3.9886 -3.9886 2.1169 2.1169 2.1376 2.1376 2.2976 2.2976 2.3100 2.3100 4.3458 4.3458 4.3572 4.3572 4.5114 4.5114 4.5255 4.5255 5.0519 5.0519 5.0941 5.0941 5.4778 5.4778 5.4886 5.4886 5.6249 5.6249 5.6476 5.6476 5.7911 5.7911 5.7978 5.7978 7.3502 7.3502 7.3937 7.3937 8.3997 8.3997 8.4750 8.4750 9.4154 9.4154 9.4364 9.4364 12.9195 12.9195 12.9428 12.9428 k = 0.5000 0.3736 0.2560 ( 4112 PWs) bands (ev): -6.4267 -6.4267 -6.4264 -6.4264 -3.9908 -3.9908 -3.9902 -3.9902 2.1196 2.1196 2.1396 2.1396 2.2652 2.2652 2.2787 2.2787 4.3635 4.3635 4.3722 4.3722 4.5170 4.5170 4.5281 4.5281 5.0898 5.0898 5.1272 5.1272 5.4717 5.4717 5.4820 5.4820 5.6291 5.6291 5.6474 5.6474 5.7973 5.7973 5.8044 5.8044 7.4177 7.4177 7.4614 7.4614 8.3283 8.3283 8.3973 8.3973 9.3909 9.3909 9.4075 9.4075 12.9094 12.9094 12.9278 12.9278 k = 0.5000 0.3736 0.2676 ( 4124 PWs) bands (ev): -6.4257 -6.4257 -6.4255 -6.4255 -3.9919 -3.9919 -3.9914 -3.9914 2.1259 2.1259 2.1452 2.1452 2.2358 2.2358 2.2504 2.2504 4.3770 4.3770 4.3833 4.3833 4.5215 4.5215 4.5298 4.5298 5.1231 5.1231 5.1538 5.1538 5.4657 5.4657 5.4750 5.4750 5.6329 5.6329 5.6467 5.6467 5.8028 5.8028 5.8092 5.8092 7.4831 7.4831 7.5241 7.5241 8.2626 8.2626 8.3225 8.3225 9.3724 9.3724 9.3848 9.3848 12.9023 12.9023 12.9159 12.9159 k = 0.5000 0.3736 0.2792 ( 4124 PWs) bands (ev): -6.4250 -6.4250 -6.4249 -6.4249 -3.9927 -3.9927 -3.9923 -3.9923 2.1356 2.1356 2.1542 2.1542 2.2095 2.2095 2.2250 2.2250 4.3867 4.3867 4.3908 4.3908 4.5252 4.5252 4.5307 4.5307 5.1504 5.1504 5.1725 5.1725 5.4610 5.4610 5.4683 5.4683 5.6364 5.6364 5.6455 5.6455 5.8073 5.8073 5.8122 5.8122 7.5423 7.5423 7.5760 7.5760 8.2090 8.2090 8.2552 8.2552 9.3598 9.3598 9.3681 9.3681 12.8980 12.8980 12.9069 12.9069 k = 0.5000 0.3736 0.2909 ( 4136 PWs) bands (ev): -6.4246 -6.4246 -6.4245 -6.4245 -3.9931 -3.9931 -3.9929 -3.9929 2.1487 2.1487 2.1661 2.1661 2.1870 2.1870 2.2028 2.2028 4.3928 4.3928 4.3948 4.3948 4.5279 4.5279 4.5306 4.5306 5.1701 5.1701 5.1818 5.1818 5.4586 5.4586 5.4627 5.4627 5.6393 5.6393 5.6439 5.6439 5.8108 5.8108 5.8133 5.8133 7.5886 7.5886 7.6084 7.6084 8.1766 8.1766 8.2027 8.2027 9.3531 9.3531 9.3572 9.3572 12.8963 12.8963 12.9008 12.9008 k = 0.5000 0.3736 0.3025 ( 4136 PWs) bands (ev): -6.4244 -6.4244 -6.4244 -6.4244 -3.9932 -3.9932 -3.9932 -3.9932 2.1646 2.1646 2.1646 2.1646 2.1843 2.1843 2.1843 2.1843 4.3955 4.3955 4.3955 4.3955 4.5297 4.5297 4.5297 4.5297 5.1810 5.1810 5.1810 5.1810 5.4592 5.4592 5.4592 5.4592 5.6418 5.6418 5.6418 5.6418 5.8128 5.8128 5.8128 5.8128 7.6131 7.6131 7.6131 7.6131 8.1741 8.1741 8.1741 8.1741 9.3522 9.3522 9.3522 9.3522 12.8972 12.8972 12.8972 12.8972 Writing output data file CuSe2.save init_run : 0.33s CPU 0.49s WALL ( 1 calls) electrons : 313.28s CPU 314.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 313.27s CPU 314.98s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.05s WALL ( 412 calls) cegterg : 290.02s CPU 291.43s WALL ( 685 calls) Called by sum_band: Called by *egterg: h_psi : 194.99s CPU 199.85s WALL ( 10186 calls) s_psi : 11.92s CPU 12.14s WALL ( 10186 calls) g_psi : 0.51s CPU 0.59s WALL ( 9089 calls) cdiaghg : 70.02s CPU 68.40s WALL ( 9501 calls) cegterg:over : 12.35s CPU 11.21s WALL ( 9089 calls) cegterg:upda : 3.80s CPU 5.25s WALL ( 9089 calls) cegterg:last : 3.54s CPU 4.14s WALL ( 1921 calls) Called by h_psi: h_psi:vloc : 180.52s CPU 183.39s WALL ( 10186 calls) h_psi:vnl : 14.37s CPU 16.16s WALL ( 10186 calls) add_vuspsi : 6.32s CPU 8.13s WALL ( 10186 calls) General routines calbec : 8.03s CPU 8.01s WALL ( 10186 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 178.10s CPU 177.24s WALL ( 1271016 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.06s CPU 0.18s WALL ( 824 calls) Parallel routines fft_scatter : 157.13s CPU 125.21s WALL ( 1271039 calls) PWSCF : 5m42.67s CPU 5m54.24s WALL This run was terminated on: 16:38:40 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=