Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:57: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CuS2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 23 7 1096 741 119 Max 31 24 8 1103 762 125 Sum 1111 857 255 39607 27123 4439 bravais-lattice index = 14 lattice parameter (alat) = 6.6745 a.u. unit-cell volume = 642.1952 (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)= 6.674512 celldm(2)= 1.316818 celldm(3)= 1.640147 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 1.316818 0.000000 ) a(3) = ( 0.000000 0.000000 1.640147 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.759407 -0.000000 ) b(3) = ( 0.000000 0.000000 0.609701 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Cu 11.00 63.54600 Cu( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 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 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 440 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0022727 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0022727 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 48) = ( 0.5000000 0.0111677 -0.0000000), wk = 0.0022727 k( 49) = ( 0.5000000 0.0223355 -0.0000000), wk = 0.0022727 k( 50) = ( 0.5000000 0.0335032 -0.0000000), wk = 0.0022727 k( 51) = ( 0.5000000 0.0446710 -0.0000000), wk = 0.0022727 k( 52) = ( 0.5000000 0.0558387 -0.0000000), wk = 0.0022727 k( 53) = ( 0.5000000 0.0670065 -0.0000000), wk = 0.0022727 k( 54) = ( 0.5000000 0.0781742 -0.0000000), wk = 0.0022727 k( 55) = ( 0.5000000 0.0893420 -0.0000000), wk = 0.0022727 k( 56) = ( 0.5000000 0.1005097 -0.0000000), wk = 0.0022727 k( 57) = ( 0.5000000 0.1116774 -0.0000000), wk = 0.0022727 k( 58) = ( 0.5000000 0.1228452 -0.0000000), wk = 0.0022727 k( 59) = ( 0.5000000 0.1340129 -0.0000000), wk = 0.0022727 k( 60) = ( 0.5000000 0.1451807 -0.0000000), wk = 0.0022727 k( 61) = ( 0.5000000 0.1563484 -0.0000000), wk = 0.0022727 k( 62) = ( 0.5000000 0.1675162 -0.0000000), wk = 0.0022727 k( 63) = ( 0.5000000 0.1786839 -0.0000000), wk = 0.0022727 k( 64) = ( 0.5000000 0.1898516 -0.0000000), wk = 0.0022727 k( 65) = ( 0.5000000 0.2010194 -0.0000000), wk = 0.0022727 k( 66) = ( 0.5000000 0.2121871 -0.0000000), wk = 0.0022727 k( 67) = ( 0.5000000 0.2233549 -0.0000000), wk = 0.0022727 k( 68) = ( 0.5000000 0.2345226 -0.0000000), wk = 0.0022727 k( 69) = ( 0.5000000 0.2456904 -0.0000000), wk = 0.0022727 k( 70) = ( 0.5000000 0.2568581 -0.0000000), wk = 0.0022727 k( 71) = ( 0.5000000 0.2680259 -0.0000000), wk = 0.0022727 k( 72) = ( 0.5000000 0.2791936 -0.0000000), wk = 0.0022727 k( 73) = ( 0.5000000 0.2903613 -0.0000000), wk = 0.0022727 k( 74) = ( 0.5000000 0.3015291 -0.0000000), wk = 0.0022727 k( 75) = ( 0.5000000 0.3126968 -0.0000000), wk = 0.0022727 k( 76) = ( 0.5000000 0.3238646 -0.0000000), wk = 0.0022727 k( 77) = ( 0.5000000 0.3350323 -0.0000000), wk = 0.0022727 k( 78) = ( 0.5000000 0.3462001 -0.0000000), wk = 0.0022727 k( 79) = ( 0.5000000 0.3573678 -0.0000000), wk = 0.0022727 k( 80) = ( 0.5000000 0.3685355 -0.0000000), wk = 0.0022727 k( 81) = ( 0.5000000 0.3797033 -0.0000000), wk = 0.0022727 k( 82) = ( 0.5000000 0.3797033 -0.0000000), wk = 0.0022727 k( 83) = ( 0.4888889 0.3797033 -0.0000000), wk = 0.0022727 k( 84) = ( 0.4777778 0.3797033 -0.0000000), wk = 0.0022727 k( 85) = ( 0.4666667 0.3797033 -0.0000000), wk = 0.0022727 k( 86) = ( 0.4555556 0.3797033 -0.0000000), wk = 0.0022727 k( 87) = ( 0.4444444 0.3797033 -0.0000000), wk = 0.0022727 k( 88) = ( 0.4333333 0.3797033 -0.0000000), wk = 0.0022727 k( 89) = ( 0.4222222 0.3797033 -0.0000000), wk = 0.0022727 k( 90) = ( 0.4111111 0.3797033 -0.0000000), wk = 0.0022727 k( 91) = ( 0.4000000 0.3797033 -0.0000000), wk = 0.0022727 k( 92) = ( 0.3888889 0.3797033 -0.0000000), wk = 0.0022727 k( 93) = ( 0.3777778 0.3797033 -0.0000000), wk = 0.0022727 k( 94) = ( 0.3666667 0.3797033 -0.0000000), wk = 0.0022727 k( 95) = ( 0.3555556 0.3797033 -0.0000000), wk = 0.0022727 k( 96) = ( 0.3444444 0.3797033 -0.0000000), wk = 0.0022727 k( 97) = ( 0.3333333 0.3797033 -0.0000000), wk = 0.0022727 k( 98) = ( 0.3222222 0.3797033 -0.0000000), wk = 0.0022727 k( 99) = ( 0.3111111 0.3797033 -0.0000000), wk = 0.0022727 k( 100) = ( 0.3000000 0.3797033 -0.0000000), wk = 0.0022727 k( 101) = ( 0.2888889 0.3797033 -0.0000000), wk = 0.0022727 k( 102) = ( 0.2777778 0.3797033 -0.0000000), wk = 0.0022727 k( 103) = ( 0.2666667 0.3797033 -0.0000000), wk = 0.0022727 k( 104) = ( 0.2555556 0.3797033 -0.0000000), wk = 0.0022727 k( 105) = ( 0.2444444 0.3797033 -0.0000000), wk = 0.0022727 k( 106) = ( 0.2333333 0.3797033 -0.0000000), wk = 0.0022727 k( 107) = ( 0.2222222 0.3797033 -0.0000000), wk = 0.0022727 k( 108) = ( 0.2111111 0.3797033 -0.0000000), wk = 0.0022727 k( 109) = ( 0.2000000 0.3797033 -0.0000000), wk = 0.0022727 k( 110) = ( 0.1888889 0.3797033 -0.0000000), wk = 0.0022727 k( 111) = ( 0.1777778 0.3797033 -0.0000000), wk = 0.0022727 k( 112) = ( 0.1666667 0.3797033 -0.0000000), wk = 0.0022727 k( 113) = ( 0.1555556 0.3797033 -0.0000000), wk = 0.0022727 k( 114) = ( 0.1444444 0.3797033 -0.0000000), wk = 0.0022727 k( 115) = ( 0.1333333 0.3797033 -0.0000000), wk = 0.0022727 k( 116) = ( 0.1222222 0.3797033 -0.0000000), wk = 0.0022727 k( 117) = ( 0.1111111 0.3797033 -0.0000000), wk = 0.0022727 k( 118) = ( 0.1000000 0.3797033 -0.0000000), wk = 0.0022727 k( 119) = ( 0.0888889 0.3797033 -0.0000000), wk = 0.0022727 k( 120) = ( 0.0777778 0.3797033 -0.0000000), wk = 0.0022727 k( 121) = ( 0.0666667 0.3797033 -0.0000000), wk = 0.0022727 k( 122) = ( 0.0555556 0.3797033 -0.0000000), wk = 0.0022727 k( 123) = ( 0.0444444 0.3797033 -0.0000000), wk = 0.0022727 k( 124) = ( 0.0333333 0.3797033 -0.0000000), wk = 0.0022727 k( 125) = ( 0.0222222 0.3797033 -0.0000000), wk = 0.0022727 k( 126) = ( 0.0111111 0.3797033 -0.0000000), wk = 0.0022727 k( 127) = ( 0.0000000 0.3797033 -0.0000000), wk = 0.0022727 k( 128) = ( 0.0000000 0.3797033 -0.0000000), wk = 0.0022727 k( 129) = ( 0.0000000 0.3685355 -0.0000000), wk = 0.0022727 k( 130) = ( 0.0000000 0.3573678 -0.0000000), wk = 0.0022727 k( 131) = ( 0.0000000 0.3462001 -0.0000000), wk = 0.0022727 k( 132) = ( 0.0000000 0.3350323 -0.0000000), wk = 0.0022727 k( 133) = ( 0.0000000 0.3238646 -0.0000000), wk = 0.0022727 k( 134) = ( 0.0000000 0.3126968 -0.0000000), wk = 0.0022727 k( 135) = ( 0.0000000 0.3015291 -0.0000000), wk = 0.0022727 k( 136) = ( 0.0000000 0.2903613 -0.0000000), wk = 0.0022727 k( 137) = ( 0.0000000 0.2791936 -0.0000000), wk = 0.0022727 k( 138) = ( 0.0000000 0.2680259 -0.0000000), wk = 0.0022727 k( 139) = ( 0.0000000 0.2568581 -0.0000000), wk = 0.0022727 k( 140) = ( 0.0000000 0.2456904 -0.0000000), wk = 0.0022727 k( 141) = ( 0.0000000 0.2345226 -0.0000000), wk = 0.0022727 k( 142) = ( 0.0000000 0.2233549 -0.0000000), wk = 0.0022727 k( 143) = ( 0.0000000 0.2121871 -0.0000000), wk = 0.0022727 k( 144) = ( 0.0000000 0.2010194 -0.0000000), wk = 0.0022727 k( 145) = ( 0.0000000 0.1898516 -0.0000000), wk = 0.0022727 k( 146) = ( 0.0000000 0.1786839 -0.0000000), wk = 0.0022727 k( 147) = ( 0.0000000 0.1675162 -0.0000000), wk = 0.0022727 k( 148) = ( 0.0000000 0.1563484 -0.0000000), wk = 0.0022727 k( 149) = ( 0.0000000 0.1451807 -0.0000000), wk = 0.0022727 k( 150) = ( 0.0000000 0.1340129 -0.0000000), wk = 0.0022727 k( 151) = ( 0.0000000 0.1228452 -0.0000000), wk = 0.0022727 k( 152) = ( 0.0000000 0.1116774 -0.0000000), wk = 0.0022727 k( 153) = ( 0.0000000 0.1005097 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0000000 0.0893420 -0.0000000), wk = 0.0022727 k( 155) = ( 0.0000000 0.0781742 -0.0000000), wk = 0.0022727 k( 156) = ( 0.0000000 0.0670065 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0000000 0.0558387 -0.0000000), wk = 0.0022727 k( 158) = ( 0.0000000 0.0446710 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0000000 0.0335032 -0.0000000), wk = 0.0022727 k( 160) = ( 0.0000000 0.0223355 -0.0000000), wk = 0.0022727 k( 161) = ( 0.0000000 0.0111677 -0.0000000), wk = 0.0022727 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 164) = ( 0.0000000 0.0000000 0.0108875), wk = 0.0022727 k( 165) = ( 0.0000000 0.0000000 0.0217751), wk = 0.0022727 k( 166) = ( 0.0000000 0.0000000 0.0326626), wk = 0.0022727 k( 167) = ( 0.0000000 0.0000000 0.0435501), wk = 0.0022727 k( 168) = ( 0.0000000 0.0000000 0.0544376), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.0653251), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.0762127), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.0871002), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.0979877), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.1088752), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.1197628), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.1306503), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.1415378), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.1524253), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.1633129), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.1742004), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.1850879), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.1959754), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.2068630), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.2177505), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.2286380), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.2395255), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.2504131), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.2613006), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.2721881), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.2830756), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.2939632), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.3048507), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.3048507), wk = 0.0022727 k( 193) = ( 0.0111111 -0.0000000 0.3048507), wk = 0.0022727 k( 194) = ( 0.0222222 -0.0000000 0.3048507), wk = 0.0022727 k( 195) = ( 0.0333333 -0.0000000 0.3048507), wk = 0.0022727 k( 196) = ( 0.0444444 -0.0000000 0.3048507), wk = 0.0022727 k( 197) = ( 0.0555556 -0.0000000 0.3048507), wk = 0.0022727 k( 198) = ( 0.0666667 -0.0000000 0.3048507), wk = 0.0022727 k( 199) = ( 0.0777778 -0.0000000 0.3048507), wk = 0.0022727 k( 200) = ( 0.0888889 -0.0000000 0.3048507), wk = 0.0022727 k( 201) = ( 0.1000000 -0.0000000 0.3048507), wk = 0.0022727 k( 202) = ( 0.1111111 -0.0000000 0.3048507), wk = 0.0022727 k( 203) = ( 0.1222222 -0.0000000 0.3048507), wk = 0.0022727 k( 204) = ( 0.1333333 -0.0000000 0.3048507), wk = 0.0022727 k( 205) = ( 0.1444444 -0.0000000 0.3048507), wk = 0.0022727 k( 206) = ( 0.1555556 -0.0000000 0.3048507), wk = 0.0022727 k( 207) = ( 0.1666667 -0.0000000 0.3048507), wk = 0.0022727 k( 208) = ( 0.1777778 -0.0000000 0.3048507), wk = 0.0022727 k( 209) = ( 0.1888889 -0.0000000 0.3048507), wk = 0.0022727 k( 210) = ( 0.2000000 -0.0000000 0.3048507), wk = 0.0022727 k( 211) = ( 0.2111111 -0.0000000 0.3048507), wk = 0.0022727 k( 212) = ( 0.2222222 -0.0000000 0.3048507), wk = 0.0022727 k( 213) = ( 0.2333333 -0.0000000 0.3048507), wk = 0.0022727 k( 214) = ( 0.2444444 -0.0000000 0.3048507), wk = 0.0022727 k( 215) = ( 0.2555556 -0.0000000 0.3048507), wk = 0.0022727 k( 216) = ( 0.2666667 -0.0000000 0.3048507), wk = 0.0022727 k( 217) = ( 0.2777778 -0.0000000 0.3048507), wk = 0.0022727 k( 218) = ( 0.2888889 -0.0000000 0.3048507), wk = 0.0022727 k( 219) = ( 0.3000000 -0.0000000 0.3048507), wk = 0.0022727 k( 220) = ( 0.3111111 -0.0000000 0.3048507), wk = 0.0022727 k( 221) = ( 0.3222222 -0.0000000 0.3048507), wk = 0.0022727 k( 222) = ( 0.3333333 -0.0000000 0.3048507), wk = 0.0022727 k( 223) = ( 0.3444444 -0.0000000 0.3048507), wk = 0.0022727 k( 224) = ( 0.3555556 -0.0000000 0.3048507), wk = 0.0022727 k( 225) = ( 0.3666667 -0.0000000 0.3048507), wk = 0.0022727 k( 226) = ( 0.3777778 -0.0000000 0.3048507), wk = 0.0022727 k( 227) = ( 0.3888889 -0.0000000 0.3048507), wk = 0.0022727 k( 228) = ( 0.4000000 -0.0000000 0.3048507), wk = 0.0022727 k( 229) = ( 0.4111111 -0.0000000 0.3048507), wk = 0.0022727 k( 230) = ( 0.4222222 -0.0000000 0.3048507), wk = 0.0022727 k( 231) = ( 0.4333333 -0.0000000 0.3048507), wk = 0.0022727 k( 232) = ( 0.4444444 -0.0000000 0.3048507), wk = 0.0022727 k( 233) = ( 0.4555556 -0.0000000 0.3048507), wk = 0.0022727 k( 234) = ( 0.4666667 -0.0000000 0.3048507), wk = 0.0022727 k( 235) = ( 0.4777778 -0.0000000 0.3048507), wk = 0.0022727 k( 236) = ( 0.4888889 -0.0000000 0.3048507), wk = 0.0022727 k( 237) = ( 0.5000000 -0.0000000 0.3048507), wk = 0.0022727 k( 238) = ( 0.5000000 -0.0000000 0.3048507), wk = 0.0022727 k( 239) = ( 0.5000000 0.0111677 0.3048507), wk = 0.0022727 k( 240) = ( 0.5000000 0.0223355 0.3048507), wk = 0.0022727 k( 241) = ( 0.5000000 0.0335032 0.3048507), wk = 0.0022727 k( 242) = ( 0.5000000 0.0446710 0.3048507), wk = 0.0022727 k( 243) = ( 0.5000000 0.0558387 0.3048507), wk = 0.0022727 k( 244) = ( 0.5000000 0.0670065 0.3048507), wk = 0.0022727 k( 245) = ( 0.5000000 0.0781742 0.3048507), wk = 0.0022727 k( 246) = ( 0.5000000 0.0893420 0.3048507), wk = 0.0022727 k( 247) = ( 0.5000000 0.1005097 0.3048507), wk = 0.0022727 k( 248) = ( 0.5000000 0.1116774 0.3048507), wk = 0.0022727 k( 249) = ( 0.5000000 0.1228452 0.3048507), wk = 0.0022727 k( 250) = ( 0.5000000 0.1340129 0.3048507), wk = 0.0022727 k( 251) = ( 0.5000000 0.1451807 0.3048507), wk = 0.0022727 k( 252) = ( 0.5000000 0.1563484 0.3048507), wk = 0.0022727 k( 253) = ( 0.5000000 0.1675162 0.3048507), wk = 0.0022727 k( 254) = ( 0.5000000 0.1786839 0.3048507), wk = 0.0022727 k( 255) = ( 0.5000000 0.1898516 0.3048507), wk = 0.0022727 k( 256) = ( 0.5000000 0.2010194 0.3048507), wk = 0.0022727 k( 257) = ( 0.5000000 0.2121871 0.3048507), wk = 0.0022727 k( 258) = ( 0.5000000 0.2233549 0.3048507), wk = 0.0022727 k( 259) = ( 0.5000000 0.2345226 0.3048507), wk = 0.0022727 k( 260) = ( 0.5000000 0.2456904 0.3048507), wk = 0.0022727 k( 261) = ( 0.5000000 0.2568581 0.3048507), wk = 0.0022727 k( 262) = ( 0.5000000 0.2680259 0.3048507), wk = 0.0022727 k( 263) = ( 0.5000000 0.2791936 0.3048507), wk = 0.0022727 k( 264) = ( 0.5000000 0.2903613 0.3048507), wk = 0.0022727 k( 265) = ( 0.5000000 0.3015291 0.3048507), wk = 0.0022727 k( 266) = ( 0.5000000 0.3126968 0.3048507), wk = 0.0022727 k( 267) = ( 0.5000000 0.3238646 0.3048507), wk = 0.0022727 k( 268) = ( 0.5000000 0.3350323 0.3048507), wk = 0.0022727 k( 269) = ( 0.5000000 0.3462001 0.3048507), wk = 0.0022727 k( 270) = ( 0.5000000 0.3573678 0.3048507), wk = 0.0022727 k( 271) = ( 0.5000000 0.3685355 0.3048507), wk = 0.0022727 k( 272) = ( 0.5000000 0.3797033 0.3048507), wk = 0.0022727 k( 273) = ( 0.5000000 0.3797033 0.3048507), wk = 0.0022727 k( 274) = ( 0.4888889 0.3797033 0.3048507), wk = 0.0022727 k( 275) = ( 0.4777778 0.3797033 0.3048507), wk = 0.0022727 k( 276) = ( 0.4666667 0.3797033 0.3048507), wk = 0.0022727 k( 277) = ( 0.4555556 0.3797033 0.3048507), wk = 0.0022727 k( 278) = ( 0.4444444 0.3797033 0.3048507), wk = 0.0022727 k( 279) = ( 0.4333333 0.3797033 0.3048507), wk = 0.0022727 k( 280) = ( 0.4222222 0.3797033 0.3048507), wk = 0.0022727 k( 281) = ( 0.4111111 0.3797033 0.3048507), wk = 0.0022727 k( 282) = ( 0.4000000 0.3797033 0.3048507), wk = 0.0022727 k( 283) = ( 0.3888889 0.3797033 0.3048507), wk = 0.0022727 k( 284) = ( 0.3777778 0.3797033 0.3048507), wk = 0.0022727 k( 285) = ( 0.3666667 0.3797033 0.3048507), wk = 0.0022727 k( 286) = ( 0.3555556 0.3797033 0.3048507), wk = 0.0022727 k( 287) = ( 0.3444444 0.3797033 0.3048507), wk = 0.0022727 k( 288) = ( 0.3333333 0.3797033 0.3048507), wk = 0.0022727 k( 289) = ( 0.3222222 0.3797033 0.3048507), wk = 0.0022727 k( 290) = ( 0.3111111 0.3797033 0.3048507), wk = 0.0022727 k( 291) = ( 0.3000000 0.3797033 0.3048507), wk = 0.0022727 k( 292) = ( 0.2888889 0.3797033 0.3048507), wk = 0.0022727 k( 293) = ( 0.2777778 0.3797033 0.3048507), wk = 0.0022727 k( 294) = ( 0.2666667 0.3797033 0.3048507), wk = 0.0022727 k( 295) = ( 0.2555556 0.3797033 0.3048507), wk = 0.0022727 k( 296) = ( 0.2444444 0.3797033 0.3048507), wk = 0.0022727 k( 297) = ( 0.2333333 0.3797033 0.3048507), wk = 0.0022727 k( 298) = ( 0.2222222 0.3797033 0.3048507), wk = 0.0022727 k( 299) = ( 0.2111111 0.3797033 0.3048507), wk = 0.0022727 k( 300) = ( 0.2000000 0.3797033 0.3048507), wk = 0.0022727 k( 301) = ( 0.1888889 0.3797033 0.3048507), wk = 0.0022727 k( 302) = ( 0.1777778 0.3797033 0.3048507), wk = 0.0022727 k( 303) = ( 0.1666667 0.3797033 0.3048507), wk = 0.0022727 k( 304) = ( 0.1555556 0.3797033 0.3048507), wk = 0.0022727 k( 305) = ( 0.1444444 0.3797033 0.3048507), wk = 0.0022727 k( 306) = ( 0.1333333 0.3797033 0.3048507), wk = 0.0022727 k( 307) = ( 0.1222222 0.3797033 0.3048507), wk = 0.0022727 k( 308) = ( 0.1111111 0.3797033 0.3048507), wk = 0.0022727 k( 309) = ( 0.1000000 0.3797033 0.3048507), wk = 0.0022727 k( 310) = ( 0.0888889 0.3797033 0.3048507), wk = 0.0022727 k( 311) = ( 0.0777778 0.3797033 0.3048507), wk = 0.0022727 k( 312) = ( 0.0666667 0.3797033 0.3048507), wk = 0.0022727 k( 313) = ( 0.0555556 0.3797033 0.3048507), wk = 0.0022727 k( 314) = ( 0.0444444 0.3797033 0.3048507), wk = 0.0022727 k( 315) = ( 0.0333333 0.3797033 0.3048507), wk = 0.0022727 k( 316) = ( 0.0222222 0.3797033 0.3048507), wk = 0.0022727 k( 317) = ( 0.0111111 0.3797033 0.3048507), wk = 0.0022727 k( 318) = ( 0.0000000 0.3797033 0.3048507), wk = 0.0022727 k( 319) = ( 0.0000000 0.3797033 0.3048507), wk = 0.0022727 k( 320) = ( 0.0000000 0.3685355 0.3048507), wk = 0.0022727 k( 321) = ( 0.0000000 0.3573678 0.3048507), wk = 0.0022727 k( 322) = ( 0.0000000 0.3462001 0.3048507), wk = 0.0022727 k( 323) = ( 0.0000000 0.3350323 0.3048507), wk = 0.0022727 k( 324) = ( 0.0000000 0.3238646 0.3048507), wk = 0.0022727 k( 325) = ( 0.0000000 0.3126968 0.3048507), wk = 0.0022727 k( 326) = ( 0.0000000 0.3015291 0.3048507), wk = 0.0022727 k( 327) = ( 0.0000000 0.2903613 0.3048507), wk = 0.0022727 k( 328) = ( 0.0000000 0.2791936 0.3048507), wk = 0.0022727 k( 329) = ( 0.0000000 0.2680259 0.3048507), wk = 0.0022727 k( 330) = ( 0.0000000 0.2568581 0.3048507), wk = 0.0022727 k( 331) = ( 0.0000000 0.2456904 0.3048507), wk = 0.0022727 k( 332) = ( 0.0000000 0.2345226 0.3048507), wk = 0.0022727 k( 333) = ( 0.0000000 0.2233549 0.3048507), wk = 0.0022727 k( 334) = ( 0.0000000 0.2121871 0.3048507), wk = 0.0022727 k( 335) = ( 0.0000000 0.2010194 0.3048507), wk = 0.0022727 k( 336) = ( 0.0000000 0.1898516 0.3048507), wk = 0.0022727 k( 337) = ( 0.0000000 0.1786839 0.3048507), wk = 0.0022727 k( 338) = ( 0.0000000 0.1675162 0.3048507), wk = 0.0022727 k( 339) = ( 0.0000000 0.1563484 0.3048507), wk = 0.0022727 k( 340) = ( 0.0000000 0.1451807 0.3048507), wk = 0.0022727 k( 341) = ( 0.0000000 0.1340129 0.3048507), wk = 0.0022727 k( 342) = ( 0.0000000 0.1228452 0.3048507), wk = 0.0022727 k( 343) = ( 0.0000000 0.1116774 0.3048507), wk = 0.0022727 k( 344) = ( 0.0000000 0.1005097 0.3048507), wk = 0.0022727 k( 345) = ( 0.0000000 0.0893420 0.3048507), wk = 0.0022727 k( 346) = ( 0.0000000 0.0781742 0.3048507), wk = 0.0022727 k( 347) = ( 0.0000000 0.0670065 0.3048507), wk = 0.0022727 k( 348) = ( 0.0000000 0.0558387 0.3048507), wk = 0.0022727 k( 349) = ( 0.0000000 0.0446710 0.3048507), wk = 0.0022727 k( 350) = ( 0.0000000 0.0335032 0.3048507), wk = 0.0022727 k( 351) = ( 0.0000000 0.0223355 0.3048507), wk = 0.0022727 k( 352) = ( 0.0000000 0.0111677 0.3048507), wk = 0.0022727 k( 353) = ( 0.0000000 0.0000000 0.3048507), wk = 0.0022727 k( 354) = ( 0.0000000 0.3797033 -0.0000000), wk = 0.0022727 k( 355) = ( 0.0000000 0.3797033 0.0108875), wk = 0.0022727 k( 356) = ( 0.0000000 0.3797033 0.0217751), wk = 0.0022727 k( 357) = ( 0.0000000 0.3797033 0.0326626), wk = 0.0022727 k( 358) = ( 0.0000000 0.3797033 0.0435501), wk = 0.0022727 k( 359) = ( 0.0000000 0.3797033 0.0544376), wk = 0.0022727 k( 360) = ( 0.0000000 0.3797033 0.0653251), wk = 0.0022727 k( 361) = ( 0.0000000 0.3797033 0.0762127), wk = 0.0022727 k( 362) = ( 0.0000000 0.3797033 0.0871002), wk = 0.0022727 k( 363) = ( 0.0000000 0.3797033 0.0979877), wk = 0.0022727 k( 364) = ( 0.0000000 0.3797033 0.1088752), wk = 0.0022727 k( 365) = ( 0.0000000 0.3797033 0.1197628), wk = 0.0022727 k( 366) = ( 0.0000000 0.3797033 0.1306503), wk = 0.0022727 k( 367) = ( 0.0000000 0.3797033 0.1415378), wk = 0.0022727 k( 368) = ( 0.0000000 0.3797033 0.1524253), wk = 0.0022727 k( 369) = ( 0.0000000 0.3797033 0.1633129), wk = 0.0022727 k( 370) = ( 0.0000000 0.3797033 0.1742004), wk = 0.0022727 k( 371) = ( 0.0000000 0.3797033 0.1850879), wk = 0.0022727 k( 372) = ( 0.0000000 0.3797033 0.1959754), wk = 0.0022727 k( 373) = ( 0.0000000 0.3797033 0.2068630), wk = 0.0022727 k( 374) = ( 0.0000000 0.3797033 0.2177505), wk = 0.0022727 k( 375) = ( 0.0000000 0.3797033 0.2286380), wk = 0.0022727 k( 376) = ( 0.0000000 0.3797033 0.2395255), wk = 0.0022727 k( 377) = ( 0.0000000 0.3797033 0.2504131), wk = 0.0022727 k( 378) = ( 0.0000000 0.3797033 0.2613006), wk = 0.0022727 k( 379) = ( 0.0000000 0.3797033 0.2721881), wk = 0.0022727 k( 380) = ( 0.0000000 0.3797033 0.2830756), wk = 0.0022727 k( 381) = ( 0.0000000 0.3797033 0.2939632), wk = 0.0022727 k( 382) = ( 0.0000000 0.3797033 0.3048507), wk = 0.0022727 k( 383) = ( 0.5000000 -0.0000000 0.3048507), wk = 0.0022727 k( 384) = ( 0.5000000 -0.0000000 0.2939632), wk = 0.0022727 k( 385) = ( 0.5000000 -0.0000000 0.2830756), wk = 0.0022727 k( 386) = ( 0.5000000 -0.0000000 0.2721881), wk = 0.0022727 k( 387) = ( 0.5000000 -0.0000000 0.2613006), wk = 0.0022727 k( 388) = ( 0.5000000 -0.0000000 0.2504131), wk = 0.0022727 k( 389) = ( 0.5000000 -0.0000000 0.2395255), wk = 0.0022727 k( 390) = ( 0.5000000 -0.0000000 0.2286380), wk = 0.0022727 k( 391) = ( 0.5000000 -0.0000000 0.2177505), wk = 0.0022727 k( 392) = ( 0.5000000 -0.0000000 0.2068630), wk = 0.0022727 k( 393) = ( 0.5000000 -0.0000000 0.1959754), wk = 0.0022727 k( 394) = ( 0.5000000 -0.0000000 0.1850879), wk = 0.0022727 k( 395) = ( 0.5000000 -0.0000000 0.1742004), wk = 0.0022727 k( 396) = ( 0.5000000 -0.0000000 0.1633129), wk = 0.0022727 k( 397) = ( 0.5000000 -0.0000000 0.1524253), wk = 0.0022727 k( 398) = ( 0.5000000 -0.0000000 0.1415378), wk = 0.0022727 k( 399) = ( 0.5000000 -0.0000000 0.1306503), wk = 0.0022727 k( 400) = ( 0.5000000 -0.0000000 0.1197628), wk = 0.0022727 k( 401) = ( 0.5000000 -0.0000000 0.1088752), wk = 0.0022727 k( 402) = ( 0.5000000 -0.0000000 0.0979877), wk = 0.0022727 k( 403) = ( 0.5000000 -0.0000000 0.0871002), wk = 0.0022727 k( 404) = ( 0.5000000 -0.0000000 0.0762127), wk = 0.0022727 k( 405) = ( 0.5000000 -0.0000000 0.0653251), wk = 0.0022727 k( 406) = ( 0.5000000 -0.0000000 0.0544376), wk = 0.0022727 k( 407) = ( 0.5000000 -0.0000000 0.0435501), wk = 0.0022727 k( 408) = ( 0.5000000 -0.0000000 0.0326626), wk = 0.0022727 k( 409) = ( 0.5000000 -0.0000000 0.0217751), wk = 0.0022727 k( 410) = ( 0.5000000 -0.0000000 0.0108875), wk = 0.0022727 k( 411) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 412) = ( 0.5000000 0.3797033 -0.0000000), wk = 0.0022727 k( 413) = ( 0.5000000 0.3797033 0.0108875), wk = 0.0022727 k( 414) = ( 0.5000000 0.3797033 0.0217751), wk = 0.0022727 k( 415) = ( 0.5000000 0.3797033 0.0326626), wk = 0.0022727 k( 416) = ( 0.5000000 0.3797033 0.0435501), wk = 0.0022727 k( 417) = ( 0.5000000 0.3797033 0.0544376), wk = 0.0022727 k( 418) = ( 0.5000000 0.3797033 0.0653251), wk = 0.0022727 k( 419) = ( 0.5000000 0.3797033 0.0762127), wk = 0.0022727 k( 420) = ( 0.5000000 0.3797033 0.0871002), wk = 0.0022727 k( 421) = ( 0.5000000 0.3797033 0.0979877), wk = 0.0022727 k( 422) = ( 0.5000000 0.3797033 0.1088752), wk = 0.0022727 k( 423) = ( 0.5000000 0.3797033 0.1197628), wk = 0.0022727 k( 424) = ( 0.5000000 0.3797033 0.1306503), wk = 0.0022727 k( 425) = ( 0.5000000 0.3797033 0.1415378), wk = 0.0022727 k( 426) = ( 0.5000000 0.3797033 0.1524253), wk = 0.0022727 k( 427) = ( 0.5000000 0.3797033 0.1633129), wk = 0.0022727 k( 428) = ( 0.5000000 0.3797033 0.1742004), wk = 0.0022727 k( 429) = ( 0.5000000 0.3797033 0.1850879), wk = 0.0022727 k( 430) = ( 0.5000000 0.3797033 0.1959754), wk = 0.0022727 k( 431) = ( 0.5000000 0.3797033 0.2068630), wk = 0.0022727 k( 432) = ( 0.5000000 0.3797033 0.2177505), wk = 0.0022727 k( 433) = ( 0.5000000 0.3797033 0.2286380), wk = 0.0022727 k( 434) = ( 0.5000000 0.3797033 0.2395255), wk = 0.0022727 k( 435) = ( 0.5000000 0.3797033 0.2504131), wk = 0.0022727 k( 436) = ( 0.5000000 0.3797033 0.2613006), wk = 0.0022727 k( 437) = ( 0.5000000 0.3797033 0.2721881), wk = 0.0022727 k( 438) = ( 0.5000000 0.3797033 0.2830756), wk = 0.0022727 k( 439) = ( 0.5000000 0.3797033 0.2939632), wk = 0.0022727 k( 440) = ( 0.5000000 0.3797033 0.3048507), wk = 0.0022727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0022727 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0022727 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0022727 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0022727 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0022727 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0022727 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0022727 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0022727 k( 14) = ( 0.1444444 -0.0000000 0.0000000), wk = 0.0022727 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0022727 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0022727 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0022727 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0022727 k( 20) = ( 0.2111111 0.0000000 -0.0000000), wk = 0.0022727 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0022727 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0022727 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0022727 k( 25) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0022727 k( 26) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0022727 k( 27) = ( 0.2888889 0.0000000 -0.0000000), wk = 0.0022727 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0022727 k( 29) = ( 0.3111111 0.0000000 0.0000000), wk = 0.0022727 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0022727 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0022727 k( 32) = ( 0.3444444 -0.0000000 0.0000000), wk = 0.0022727 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0022727 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0022727 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0022727 k( 36) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0022727 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0022727 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0022727 k( 39) = ( 0.4222222 0.0000000 -0.0000000), wk = 0.0022727 k( 40) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0022727 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0022727 k( 42) = ( 0.4555556 -0.0000000 0.0000000), wk = 0.0022727 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0022727 k( 44) = ( 0.4777778 -0.0000000 0.0000000), wk = 0.0022727 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0022727 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022727 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022727 k( 48) = ( 0.5000000 0.0147059 0.0000000), wk = 0.0022727 k( 49) = ( 0.5000000 0.0294118 0.0000000), wk = 0.0022727 k( 50) = ( 0.5000000 0.0441177 0.0000000), wk = 0.0022727 k( 51) = ( 0.5000000 0.0588235 0.0000000), wk = 0.0022727 k( 52) = ( 0.5000000 0.0735294 0.0000000), wk = 0.0022727 k( 53) = ( 0.5000000 0.0882353 -0.0000000), wk = 0.0022727 k( 54) = ( 0.5000000 0.1029412 0.0000000), wk = 0.0022727 k( 55) = ( 0.5000000 0.1176471 0.0000000), wk = 0.0022727 k( 56) = ( 0.5000000 0.1323529 0.0000000), wk = 0.0022727 k( 57) = ( 0.5000000 0.1470588 0.0000000), wk = 0.0022727 k( 58) = ( 0.5000000 0.1617647 -0.0000000), wk = 0.0022727 k( 59) = ( 0.5000000 0.1764706 -0.0000000), wk = 0.0022727 k( 60) = ( 0.5000000 0.1911765 0.0000000), wk = 0.0022727 k( 61) = ( 0.5000000 0.2058823 0.0000000), wk = 0.0022727 k( 62) = ( 0.5000000 0.2205882 0.0000000), wk = 0.0022727 k( 63) = ( 0.5000000 0.2352941 -0.0000000), wk = 0.0022727 k( 64) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0022727 k( 65) = ( 0.5000000 0.2647059 0.0000000), wk = 0.0022727 k( 66) = ( 0.5000000 0.2794118 0.0000000), wk = 0.0022727 k( 67) = ( 0.5000000 0.2941177 -0.0000000), wk = 0.0022727 k( 68) = ( 0.5000000 0.3088235 0.0000000), wk = 0.0022727 k( 69) = ( 0.5000000 0.3235294 0.0000000), wk = 0.0022727 k( 70) = ( 0.5000000 0.3382353 0.0000000), wk = 0.0022727 k( 71) = ( 0.5000000 0.3529412 0.0000000), wk = 0.0022727 k( 72) = ( 0.5000000 0.3676471 0.0000000), wk = 0.0022727 k( 73) = ( 0.5000000 0.3823529 0.0000000), wk = 0.0022727 k( 74) = ( 0.5000000 0.3970588 -0.0000000), wk = 0.0022727 k( 75) = ( 0.5000000 0.4117647 -0.0000000), wk = 0.0022727 k( 76) = ( 0.5000000 0.4264706 0.0000000), wk = 0.0022727 k( 77) = ( 0.5000000 0.4411765 -0.0000000), wk = 0.0022727 k( 78) = ( 0.5000000 0.4558823 0.0000000), wk = 0.0022727 k( 79) = ( 0.5000000 0.4705882 0.0000000), wk = 0.0022727 k( 80) = ( 0.5000000 0.4852941 0.0000000), wk = 0.0022727 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 83) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0022727 k( 84) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0022727 k( 85) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0022727 k( 86) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0022727 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0022727 k( 88) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0022727 k( 89) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0022727 k( 90) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0022727 k( 91) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0022727 k( 92) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0022727 k( 93) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0022727 k( 94) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0022727 k( 95) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0022727 k( 96) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0022727 k( 97) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0022727 k( 98) = ( 0.3222222 0.5000000 0.0000000), wk = 0.0022727 k( 99) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0022727 k( 100) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0022727 k( 101) = ( 0.2888889 0.5000000 0.0000000), wk = 0.0022727 k( 102) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0022727 k( 103) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0022727 k( 104) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0022727 k( 105) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0022727 k( 106) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0022727 k( 107) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0022727 k( 108) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0022727 k( 109) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0022727 k( 110) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0022727 k( 111) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0022727 k( 112) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0022727 k( 113) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0022727 k( 114) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0022727 k( 115) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0022727 k( 116) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0022727 k( 117) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0022727 k( 118) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0022727 k( 119) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0022727 k( 120) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0022727 k( 121) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0022727 k( 122) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0022727 k( 123) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0022727 k( 124) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0022727 k( 125) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0022727 k( 126) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0022727 k( 127) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 128) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 129) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0022727 k( 130) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0022727 k( 131) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0022727 k( 132) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0022727 k( 133) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0022727 k( 134) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0022727 k( 135) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0022727 k( 136) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0022727 k( 137) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0022727 k( 138) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0022727 k( 139) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0022727 k( 140) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0022727 k( 141) = ( 0.0000000 0.3088235 0.0000000), wk = 0.0022727 k( 142) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0022727 k( 143) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0022727 k( 144) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0022727 k( 145) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0022727 k( 146) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0022727 k( 147) = ( 0.0000000 0.2205882 0.0000000), wk = 0.0022727 k( 148) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0022727 k( 149) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0022727 k( 150) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0022727 k( 151) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0022727 k( 152) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0022727 k( 153) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0022727 k( 155) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0022727 k( 156) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0022727 k( 158) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0022727 k( 160) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0022727 k( 161) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0022727 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 164) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0022727 k( 165) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0022727 k( 166) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0022727 k( 167) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022727 k( 168) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 193) = ( 0.0111111 -0.0000000 0.5000000), wk = 0.0022727 k( 194) = ( 0.0222222 -0.0000000 0.5000000), wk = 0.0022727 k( 195) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0022727 k( 196) = ( 0.0444444 -0.0000000 0.5000000), wk = 0.0022727 k( 197) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0022727 k( 198) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0022727 k( 199) = ( 0.0777778 -0.0000000 0.5000000), wk = 0.0022727 k( 200) = ( 0.0888889 -0.0000000 0.5000000), wk = 0.0022727 k( 201) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0022727 k( 202) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0022727 k( 203) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0022727 k( 204) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0022727 k( 205) = ( 0.1444444 -0.0000000 0.5000000), wk = 0.0022727 k( 206) = ( 0.1555556 -0.0000000 0.5000000), wk = 0.0022727 k( 207) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0022727 k( 208) = ( 0.1777778 -0.0000000 0.5000000), wk = 0.0022727 k( 209) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0022727 k( 210) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0022727 k( 211) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0022727 k( 212) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0022727 k( 213) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0022727 k( 214) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0022727 k( 215) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0022727 k( 216) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0022727 k( 217) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0022727 k( 218) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0022727 k( 219) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0022727 k( 220) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0022727 k( 221) = ( 0.3222222 -0.0000000 0.5000000), wk = 0.0022727 k( 222) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0022727 k( 223) = ( 0.3444444 -0.0000000 0.5000000), wk = 0.0022727 k( 224) = ( 0.3555556 -0.0000000 0.5000000), wk = 0.0022727 k( 225) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0022727 k( 226) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0022727 k( 227) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0022727 k( 228) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0022727 k( 229) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0022727 k( 230) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0022727 k( 231) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0022727 k( 232) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0022727 k( 233) = ( 0.4555556 -0.0000000 0.5000000), wk = 0.0022727 k( 234) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0022727 k( 235) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0022727 k( 236) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0022727 k( 237) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 238) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 239) = ( 0.5000000 0.0147059 0.5000000), wk = 0.0022727 k( 240) = ( 0.5000000 0.0294118 0.5000000), wk = 0.0022727 k( 241) = ( 0.5000000 0.0441177 0.5000000), wk = 0.0022727 k( 242) = ( 0.5000000 0.0588235 0.5000000), wk = 0.0022727 k( 243) = ( 0.5000000 0.0735294 0.5000000), wk = 0.0022727 k( 244) = ( 0.5000000 0.0882353 0.5000000), wk = 0.0022727 k( 245) = ( 0.5000000 0.1029412 0.5000000), wk = 0.0022727 k( 246) = ( 0.5000000 0.1176471 0.5000000), wk = 0.0022727 k( 247) = ( 0.5000000 0.1323529 0.5000000), wk = 0.0022727 k( 248) = ( 0.5000000 0.1470588 0.5000000), wk = 0.0022727 k( 249) = ( 0.5000000 0.1617647 0.5000000), wk = 0.0022727 k( 250) = ( 0.5000000 0.1764706 0.5000000), wk = 0.0022727 k( 251) = ( 0.5000000 0.1911765 0.5000000), wk = 0.0022727 k( 252) = ( 0.5000000 0.2058823 0.5000000), wk = 0.0022727 k( 253) = ( 0.5000000 0.2205882 0.5000000), wk = 0.0022727 k( 254) = ( 0.5000000 0.2352941 0.5000000), wk = 0.0022727 k( 255) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0022727 k( 256) = ( 0.5000000 0.2647059 0.5000000), wk = 0.0022727 k( 257) = ( 0.5000000 0.2794118 0.5000000), wk = 0.0022727 k( 258) = ( 0.5000000 0.2941177 0.5000000), wk = 0.0022727 k( 259) = ( 0.5000000 0.3088235 0.5000000), wk = 0.0022727 k( 260) = ( 0.5000000 0.3235294 0.5000000), wk = 0.0022727 k( 261) = ( 0.5000000 0.3382353 0.5000000), wk = 0.0022727 k( 262) = ( 0.5000000 0.3529412 0.5000000), wk = 0.0022727 k( 263) = ( 0.5000000 0.3676471 0.5000000), wk = 0.0022727 k( 264) = ( 0.5000000 0.3823529 0.5000000), wk = 0.0022727 k( 265) = ( 0.5000000 0.3970588 0.5000000), wk = 0.0022727 k( 266) = ( 0.5000000 0.4117647 0.5000000), wk = 0.0022727 k( 267) = ( 0.5000000 0.4264706 0.5000000), wk = 0.0022727 k( 268) = ( 0.5000000 0.4411765 0.5000000), wk = 0.0022727 k( 269) = ( 0.5000000 0.4558823 0.5000000), wk = 0.0022727 k( 270) = ( 0.5000000 0.4705882 0.5000000), wk = 0.0022727 k( 271) = ( 0.5000000 0.4852941 0.5000000), wk = 0.0022727 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 273) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 274) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0022727 k( 275) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0022727 k( 276) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0022727 k( 277) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0022727 k( 278) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0022727 k( 279) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0022727 k( 280) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0022727 k( 281) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0022727 k( 282) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0022727 k( 283) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0022727 k( 284) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0022727 k( 285) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0022727 k( 286) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0022727 k( 287) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0022727 k( 288) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0022727 k( 289) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0022727 k( 290) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0022727 k( 291) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0022727 k( 292) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0022727 k( 293) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0022727 k( 294) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0022727 k( 295) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0022727 k( 296) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0022727 k( 297) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0022727 k( 298) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0022727 k( 299) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0022727 k( 300) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0022727 k( 301) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0022727 k( 302) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0022727 k( 303) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0022727 k( 304) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0022727 k( 305) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0022727 k( 306) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0022727 k( 307) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0022727 k( 308) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0022727 k( 309) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0022727 k( 310) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0022727 k( 311) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0022727 k( 312) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0022727 k( 313) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0022727 k( 314) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0022727 k( 315) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0022727 k( 316) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0022727 k( 317) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0022727 k( 318) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 319) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 320) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0022727 k( 321) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0022727 k( 322) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0022727 k( 323) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0022727 k( 324) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0022727 k( 325) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0022727 k( 326) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0022727 k( 327) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0022727 k( 328) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0022727 k( 329) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0022727 k( 330) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0022727 k( 331) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0022727 k( 332) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0022727 k( 333) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0022727 k( 334) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0022727 k( 335) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0022727 k( 336) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022727 k( 337) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0022727 k( 338) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0022727 k( 339) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0022727 k( 340) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0022727 k( 341) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0022727 k( 342) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0022727 k( 343) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0022727 k( 344) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0022727 k( 345) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0022727 k( 346) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0022727 k( 347) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0022727 k( 348) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0022727 k( 349) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0022727 k( 350) = ( 0.0000000 0.0441177 0.5000000), wk = 0.0022727 k( 351) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0022727 k( 352) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0022727 k( 353) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 354) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 355) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0022727 k( 356) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0022727 k( 357) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0022727 k( 358) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0022727 k( 359) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0022727 k( 360) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0022727 k( 361) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0022727 k( 362) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0022727 k( 363) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0022727 k( 364) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0022727 k( 365) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0022727 k( 366) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0022727 k( 367) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0022727 k( 368) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022727 k( 369) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0022727 k( 370) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0022727 k( 371) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0022727 k( 372) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0022727 k( 373) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0022727 k( 374) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0022727 k( 375) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0022727 k( 376) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0022727 k( 377) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0022727 k( 378) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0022727 k( 379) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0022727 k( 380) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0022727 k( 381) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0022727 k( 382) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 383) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 384) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0022727 k( 385) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0022727 k( 386) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0022727 k( 387) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0022727 k( 388) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0022727 k( 389) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0022727 k( 390) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0022727 k( 391) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0022727 k( 392) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0022727 k( 393) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0022727 k( 394) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0022727 k( 395) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0022727 k( 396) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0022727 k( 397) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0022727 k( 398) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0022727 k( 399) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0022727 k( 400) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0022727 k( 401) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0022727 k( 402) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0022727 k( 403) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0022727 k( 404) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0022727 k( 405) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0022727 k( 406) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0022727 k( 407) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0022727 k( 408) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0022727 k( 409) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0022727 k( 410) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0022727 k( 411) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022727 k( 412) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 413) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0022727 k( 414) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0022727 k( 415) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0022727 k( 416) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0022727 k( 417) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0022727 k( 418) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0022727 k( 419) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0022727 k( 420) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0022727 k( 421) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0022727 k( 422) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0022727 k( 423) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0022727 k( 424) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0022727 k( 425) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0022727 k( 426) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0022727 k( 427) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0022727 k( 428) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0022727 k( 429) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0022727 k( 430) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0022727 k( 431) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0022727 k( 432) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0022727 k( 433) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0022727 k( 434) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0022727 k( 435) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0022727 k( 436) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0022727 k( 437) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0022727 k( 438) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0022727 k( 439) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0022727 k( 440) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 Dense grid: 39607 G-vectors FFT dimensions: ( 36, 45, 54) Smooth grid: 27123 G-vectors FFT dimensions: ( 30, 40, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 190, 56) NL pseudopotentials 0.30 Mb ( 95, 204) Each V/rho on FFT grid 0.05 Mb ( 3240) Each G-vector array 0.01 Mb ( 1103) G-vector shells 0.00 Mb ( 567) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 190, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.35 Mb ( 204, 2, 56) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CuS2.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 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.8 secs Computing kpt #: 14 total cpu time spent up to now is 8.2 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.4 secs Computing kpt #: 18 total cpu time spent up to now is 9.8 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.4 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.5 secs Computing kpt #: 24 total cpu time spent up to now is 13.0 secs Computing kpt #: 25 total cpu time spent up to now is 13.4 secs Computing kpt #: 26 total cpu time spent up to now is 13.9 secs Computing kpt #: 27 total cpu time spent up to now is 14.4 secs Computing kpt #: 28 total cpu time spent up to now is 14.7 secs Computing kpt #: 29 total cpu time spent up to now is 15.1 secs Computing kpt #: 30 total cpu time spent up to now is 15.5 secs Computing kpt #: 31 total cpu time spent up to now is 15.9 secs Computing kpt #: 32 total cpu time spent up to now is 16.2 secs Computing kpt #: 33 total cpu time spent up to now is 16.6 secs Computing kpt #: 34 total cpu time spent up to now is 17.0 secs Computing kpt #: 35 total cpu time spent up to now is 17.3 secs Computing kpt #: 36 total cpu time spent up to now is 17.7 secs Computing kpt #: 37 total cpu time spent up to now is 18.0 secs Computing kpt #: 38 total cpu time spent up to now is 18.4 secs Computing kpt #: 39 total cpu time spent up to now is 18.7 secs Computing kpt #: 40 total cpu time spent up to now is 19.1 secs Computing kpt #: 41 total cpu time spent up to now is 19.4 secs Computing kpt #: 42 total cpu time spent up to now is 19.8 secs Computing kpt #: 43 total cpu time spent up to now is 20.1 secs Computing kpt #: 44 total cpu time spent up to now is 20.5 secs Computing kpt #: 45 total cpu time spent up to now is 20.8 secs Computing kpt #: 46 total cpu time spent up to now is 21.2 secs Computing kpt #: 47 total cpu time spent up to now is 21.5 secs Computing kpt #: 48 total cpu time spent up to now is 21.8 secs Computing kpt #: 49 total cpu time spent up to now is 22.2 secs Computing kpt #: 50 total cpu time spent up to now is 22.5 secs Computing kpt #: 51 total cpu time spent up to now is 22.9 secs Computing kpt #: 52 total cpu time spent up to now is 23.2 secs Computing kpt #: 53 total cpu time spent up to now is 23.6 secs Computing kpt #: 54 total cpu time spent up to now is 24.0 secs Computing kpt #: 55 total cpu time spent up to now is 24.3 secs Computing kpt #: 56 total cpu time spent up to now is 24.7 secs Computing kpt #: 57 total cpu time spent up to now is 25.1 secs Computing kpt #: 58 total cpu time spent up to now is 25.4 secs Computing kpt #: 59 total cpu time spent up to now is 25.8 secs Computing kpt #: 60 total cpu time spent up to now is 26.2 secs Computing kpt #: 61 total cpu time spent up to now is 26.5 secs Computing kpt #: 62 total cpu time spent up to now is 26.9 secs Computing kpt #: 63 total cpu time spent up to now is 27.3 secs Computing kpt #: 64 total cpu time spent up to now is 27.7 secs Computing kpt #: 65 total cpu time spent up to now is 28.1 secs Computing kpt #: 66 total cpu time spent up to now is 28.5 secs Computing kpt #: 67 total cpu time spent up to now is 28.9 secs Computing kpt #: 68 total cpu time spent up to now is 29.3 secs Computing kpt #: 69 total cpu time spent up to now is 29.7 secs Computing kpt #: 70 total cpu time spent up to now is 30.1 secs Computing kpt #: 71 total cpu time spent up to now is 30.5 secs Computing kpt #: 72 total cpu time spent up to now is 30.9 secs Computing kpt #: 73 total cpu time spent up to now is 31.3 secs Computing kpt #: 74 total cpu time spent up to now is 31.7 secs Computing kpt #: 75 total cpu time spent up to now is 32.1 secs Computing kpt #: 76 total cpu time spent up to now is 32.5 secs Computing kpt #: 77 total cpu time spent up to now is 32.9 secs Computing kpt #: 78 total cpu time spent up to now is 33.3 secs Computing kpt #: 79 total cpu time spent up to now is 33.7 secs Computing kpt #: 80 total cpu time spent up to now is 34.0 secs Computing kpt #: 81 total cpu time spent up to now is 34.4 secs Computing kpt #: 82 total cpu time spent up to now is 34.8 secs Computing kpt #: 83 total cpu time spent up to now is 35.1 secs Computing kpt #: 84 total cpu time spent up to now is 35.5 secs Computing kpt #: 85 total cpu time spent up to now is 35.9 secs Computing kpt #: 86 total cpu time spent up to now is 36.3 secs Computing kpt #: 87 total cpu time spent up to now is 36.7 secs Computing kpt #: 88 total cpu time spent up to now is 37.0 secs Computing kpt #: 89 total cpu time spent up to now is 37.4 secs Computing kpt #: 90 total cpu time spent up to now is 37.8 secs Computing kpt #: 91 total cpu time spent up to now is 38.2 secs Computing kpt #: 92 total cpu time spent up to now is 38.6 secs Computing kpt #: 93 total cpu time spent up to now is 39.0 secs Computing kpt #: 94 total cpu time spent up to now is 39.3 secs Computing kpt #: 95 total cpu time spent up to now is 39.7 secs Computing kpt #: 96 total cpu time spent up to now is 40.1 secs Computing kpt #: 97 total cpu time spent up to now is 40.5 secs Computing kpt #: 98 total cpu time spent up to now is 40.9 secs Computing kpt #: 99 total cpu time spent up to now is 41.2 secs Computing kpt #: 100 total cpu time spent up to now is 41.6 secs Computing kpt #: 101 total cpu time spent up to now is 42.0 secs Computing kpt #: 102 total cpu time spent up to now is 42.4 secs Computing kpt #: 103 total cpu time spent up to now is 42.9 secs Computing kpt #: 104 total cpu time spent up to now is 43.3 secs Computing kpt #: 105 total cpu time spent up to now is 43.7 secs Computing kpt #: 106 total cpu time spent up to now is 44.1 secs Computing kpt #: 107 total cpu time spent up to now is 44.5 secs Computing kpt #: 108 total cpu time spent up to now is 45.0 secs Computing kpt #: 109 total cpu time spent up to now is 45.4 secs Computing kpt #: 110 total cpu time spent up to now is 45.8 secs Computing kpt #: 111 total cpu time spent up to now is 46.2 secs Computing kpt #: 112 total cpu time spent up to now is 46.6 secs Computing kpt #: 113 total cpu time spent up to now is 47.0 secs Computing kpt #: 114 total cpu time spent up to now is 47.4 secs Computing kpt #: 115 total cpu time spent up to now is 47.8 secs Computing kpt #: 116 total cpu time spent up to now is 48.2 secs Computing kpt #: 117 total cpu time spent up to now is 48.6 secs Computing kpt #: 118 total cpu time spent up to now is 49.0 secs Computing kpt #: 119 total cpu time spent up to now is 49.4 secs Computing kpt #: 120 total cpu time spent up to now is 49.8 secs Computing kpt #: 121 total cpu time spent up to now is 50.2 secs Computing kpt #: 122 total cpu time spent up to now is 50.6 secs Computing kpt #: 123 total cpu time spent up to now is 51.0 secs Computing kpt #: 124 total cpu time spent up to now is 51.4 secs Computing kpt #: 125 total cpu time spent up to now is 51.8 secs Computing kpt #: 126 total cpu time spent up to now is 52.2 secs Computing kpt #: 127 total cpu time spent up to now is 52.6 secs Computing kpt #: 128 total cpu time spent up to now is 53.0 secs Computing kpt #: 129 total cpu time spent up to now is 53.4 secs Computing kpt #: 130 total cpu time spent up to now is 53.8 secs Computing kpt #: 131 total cpu time spent up to now is 54.2 secs Computing kpt #: 132 total cpu time spent up to now is 54.6 secs Computing kpt #: 133 total cpu time spent up to now is 55.0 secs Computing kpt #: 134 total cpu time spent up to now is 55.4 secs Computing kpt #: 135 total cpu time spent up to now is 55.9 secs Computing kpt #: 136 total cpu time spent up to now is 56.3 secs Computing kpt #: 137 total cpu time spent up to now is 56.7 secs Computing kpt #: 138 total cpu time spent up to now is 57.1 secs Computing kpt #: 139 total cpu time spent up to now is 57.5 secs Computing kpt #: 140 total cpu time spent up to now is 57.9 secs Computing kpt #: 141 total cpu time spent up to now is 58.3 secs Computing kpt #: 142 total cpu time spent up to now is 58.7 secs Computing kpt #: 143 total cpu time spent up to now is 59.1 secs Computing kpt #: 144 total cpu time spent up to now is 59.5 secs Computing kpt #: 145 total cpu time spent up to now is 59.9 secs Computing kpt #: 146 total cpu time spent up to now is 60.3 secs Computing kpt #: 147 total cpu time spent up to now is 60.7 secs Computing kpt #: 148 total cpu time spent up to now is 61.1 secs Computing kpt #: 149 total cpu time spent up to now is 61.5 secs Computing kpt #: 150 total cpu time spent up to now is 62.0 secs Computing kpt #: 151 total cpu time spent up to now is 62.5 secs Computing kpt #: 152 total cpu time spent up to now is 63.0 secs Computing kpt #: 153 total cpu time spent up to now is 63.4 secs Computing kpt #: 154 total cpu time spent up to now is 63.9 secs Computing kpt #: 155 total cpu time spent up to now is 64.4 secs Computing kpt #: 156 total cpu time spent up to now is 64.9 secs Computing kpt #: 157 total cpu time spent up to now is 65.3 secs Computing kpt #: 158 total cpu time spent up to now is 65.8 secs Computing kpt #: 159 total cpu time spent up to now is 66.3 secs Computing kpt #: 160 total cpu time spent up to now is 66.8 secs Computing kpt #: 161 total cpu time spent up to now is 67.3 secs Computing kpt #: 162 total cpu time spent up to now is 67.8 secs Computing kpt #: 163 total cpu time spent up to now is 68.3 secs Computing kpt #: 164 total cpu time spent up to now is 68.8 secs Computing kpt #: 165 total cpu time spent up to now is 69.3 secs Computing kpt #: 166 total cpu time spent up to now is 69.8 secs Computing kpt #: 167 total cpu time spent up to now is 70.2 secs Computing kpt #: 168 total cpu time spent up to now is 70.7 secs Computing kpt #: 169 total cpu time spent up to now is 71.1 secs Computing kpt #: 170 total cpu time spent up to now is 71.6 secs Computing kpt #: 171 total cpu time spent up to now is 72.0 secs Computing kpt #: 172 total cpu time spent up to now is 72.4 secs Computing kpt #: 173 total cpu time spent up to now is 72.8 secs Computing kpt #: 174 total cpu time spent up to now is 73.2 secs Computing kpt #: 175 total cpu time spent up to now is 73.6 secs Computing kpt #: 176 total cpu time spent up to now is 73.9 secs Computing kpt #: 177 total cpu time spent up to now is 74.3 secs Computing kpt #: 178 total cpu time spent up to now is 74.7 secs Computing kpt #: 179 total cpu time spent up to now is 75.1 secs Computing kpt #: 180 total cpu time spent up to now is 75.5 secs Computing kpt #: 181 total cpu time spent up to now is 75.9 secs Computing kpt #: 182 total cpu time spent up to now is 76.2 secs Computing kpt #: 183 total cpu time spent up to now is 76.6 secs Computing kpt #: 184 total cpu time spent up to now is 77.0 secs Computing kpt #: 185 total cpu time spent up to now is 77.4 secs Computing kpt #: 186 total cpu time spent up to now is 77.8 secs Computing kpt #: 187 total cpu time spent up to now is 78.2 secs Computing kpt #: 188 total cpu time spent up to now is 78.6 secs Computing kpt #: 189 total cpu time spent up to now is 79.0 secs Computing kpt #: 190 total cpu time spent up to now is 79.3 secs Computing kpt #: 191 total cpu time spent up to now is 79.7 secs Computing kpt #: 192 total cpu time spent up to now is 80.1 secs Computing kpt #: 193 total cpu time spent up to now is 80.5 secs Computing kpt #: 194 total cpu time spent up to now is 80.9 secs Computing kpt #: 195 total cpu time spent up to now is 81.2 secs Computing kpt #: 196 total cpu time spent up to now is 81.6 secs Computing kpt #: 197 total cpu time spent up to now is 82.0 secs Computing kpt #: 198 total cpu time spent up to now is 82.4 secs Computing kpt #: 199 total cpu time spent up to now is 82.8 secs Computing kpt #: 200 total cpu time spent up to now is 83.2 secs Computing kpt #: 201 total cpu time spent up to now is 83.6 secs Computing kpt #: 202 total cpu time spent up to now is 84.0 secs Computing kpt #: 203 total cpu time spent up to now is 84.4 secs Computing kpt #: 204 total cpu time spent up to now is 84.8 secs Computing kpt #: 205 total cpu time spent up to now is 85.2 secs Computing kpt #: 206 total cpu time spent up to now is 85.6 secs Computing kpt #: 207 total cpu time spent up to now is 86.0 secs Computing kpt #: 208 total cpu time spent up to now is 86.4 secs Computing kpt #: 209 total cpu time spent up to now is 86.8 secs Computing kpt #: 210 total cpu time spent up to now is 87.1 secs Computing kpt #: 211 total cpu time spent up to now is 87.5 secs Computing kpt #: 212 total cpu time spent up to now is 87.9 secs Computing kpt #: 213 total cpu time spent up to now is 88.3 secs Computing kpt #: 214 total cpu time spent up to now is 88.7 secs Computing kpt #: 215 total cpu time spent up to now is 89.1 secs Computing kpt #: 216 total cpu time spent up to now is 89.5 secs Computing kpt #: 217 total cpu time spent up to now is 89.8 secs Computing kpt #: 218 total cpu time spent up to now is 90.2 secs Computing kpt #: 219 total cpu time spent up to now is 90.6 secs Computing kpt #: 220 total cpu time spent up to now is 91.0 secs Computing kpt #: 221 total cpu time spent up to now is 91.3 secs Computing kpt #: 222 total cpu time spent up to now is 91.7 secs Computing kpt #: 223 total cpu time spent up to now is 92.0 secs Computing kpt #: 224 total cpu time spent up to now is 92.4 secs Computing kpt #: 225 total cpu time spent up to now is 92.8 secs Computing kpt #: 226 total cpu time spent up to now is 93.1 secs Computing kpt #: 227 total cpu time spent up to now is 93.5 secs Computing kpt #: 228 total cpu time spent up to now is 93.8 secs Computing kpt #: 229 total cpu time spent up to now is 94.2 secs Computing kpt #: 230 total cpu time spent up to now is 94.6 secs Computing kpt #: 231 total cpu time spent up to now is 94.9 secs Computing kpt #: 232 total cpu time spent up to now is 95.3 secs Computing kpt #: 233 total cpu time spent up to now is 95.6 secs Computing kpt #: 234 total cpu time spent up to now is 96.0 secs Computing kpt #: 235 total cpu time spent up to now is 96.3 secs Computing kpt #: 236 total cpu time spent up to now is 96.7 secs Computing kpt #: 237 total cpu time spent up to now is 97.0 secs Computing kpt #: 238 total cpu time spent up to now is 97.4 secs Computing kpt #: 239 total cpu time spent up to now is 97.7 secs Computing kpt #: 240 total cpu time spent up to now is 98.1 secs Computing kpt #: 241 total cpu time spent up to now is 98.4 secs Computing kpt #: 242 total cpu time spent up to now is 98.8 secs Computing kpt #: 243 total cpu time spent up to now is 99.2 secs Computing kpt #: 244 total cpu time spent up to now is 99.5 secs Computing kpt #: 245 total cpu time spent up to now is 99.9 secs Computing kpt #: 246 total cpu time spent up to now is 100.2 secs Computing kpt #: 247 total cpu time spent up to now is 100.6 secs Computing kpt #: 248 total cpu time spent up to now is 100.9 secs Computing kpt #: 249 total cpu time spent up to now is 101.3 secs Computing kpt #: 250 total cpu time spent up to now is 101.6 secs Computing kpt #: 251 total cpu time spent up to now is 102.0 secs Computing kpt #: 252 total cpu time spent up to now is 102.4 secs Computing kpt #: 253 total cpu time spent up to now is 102.7 secs Computing kpt #: 254 total cpu time spent up to now is 103.1 secs Computing kpt #: 255 total cpu time spent up to now is 103.5 secs Computing kpt #: 256 total cpu time spent up to now is 103.8 secs Computing kpt #: 257 total cpu time spent up to now is 104.2 secs Computing kpt #: 258 total cpu time spent up to now is 104.6 secs Computing kpt #: 259 total cpu time spent up to now is 104.9 secs Computing kpt #: 260 total cpu time spent up to now is 105.3 secs Computing kpt #: 261 total cpu time spent up to now is 105.7 secs Computing kpt #: 262 total cpu time spent up to now is 106.0 secs Computing kpt #: 263 total cpu time spent up to now is 106.4 secs Computing kpt #: 264 total cpu time spent up to now is 106.8 secs Computing kpt #: 265 total cpu time spent up to now is 107.1 secs Computing kpt #: 266 total cpu time spent up to now is 107.5 secs Computing kpt #: 267 total cpu time spent up to now is 107.9 secs Computing kpt #: 268 total cpu time spent up to now is 108.3 secs Computing kpt #: 269 total cpu time spent up to now is 108.6 secs Computing kpt #: 270 total cpu time spent up to now is 109.0 secs Computing kpt #: 271 total cpu time spent up to now is 109.4 secs Computing kpt #: 272 total cpu time spent up to now is 109.7 secs Computing kpt #: 273 total cpu time spent up to now is 110.1 secs Computing kpt #: 274 total cpu time spent up to now is 110.4 secs Computing kpt #: 275 total cpu time spent up to now is 110.8 secs Computing kpt #: 276 total cpu time spent up to now is 111.2 secs Computing kpt #: 277 total cpu time spent up to now is 111.5 secs Computing kpt #: 278 total cpu time spent up to now is 111.9 secs Computing kpt #: 279 total cpu time spent up to now is 112.2 secs Computing kpt #: 280 total cpu time spent up to now is 112.6 secs Computing kpt #: 281 total cpu time spent up to now is 113.0 secs Computing kpt #: 282 total cpu time spent up to now is 113.3 secs Computing kpt #: 283 total cpu time spent up to now is 113.7 secs Computing kpt #: 284 total cpu time spent up to now is 114.0 secs Computing kpt #: 285 total cpu time spent up to now is 114.4 secs Computing kpt #: 286 total cpu time spent up to now is 114.7 secs Computing kpt #: 287 total cpu time spent up to now is 115.1 secs Computing kpt #: 288 total cpu time spent up to now is 115.5 secs Computing kpt #: 289 total cpu time spent up to now is 115.8 secs Computing kpt #: 290 total cpu time spent up to now is 116.2 secs Computing kpt #: 291 total cpu time spent up to now is 116.6 secs Computing kpt #: 292 total cpu time spent up to now is 116.9 secs Computing kpt #: 293 total cpu time spent up to now is 117.3 secs Computing kpt #: 294 total cpu time spent up to now is 117.6 secs Computing kpt #: 295 total cpu time spent up to now is 118.0 secs Computing kpt #: 296 total cpu time spent up to now is 118.4 secs Computing kpt #: 297 total cpu time spent up to now is 118.7 secs Computing kpt #: 298 total cpu time spent up to now is 119.1 secs Computing kpt #: 299 total cpu time spent up to now is 119.4 secs Computing kpt #: 300 total cpu time spent up to now is 119.8 secs Computing kpt #: 301 total cpu time spent up to now is 120.2 secs Computing kpt #: 302 total cpu time spent up to now is 120.5 secs Computing kpt #: 303 total cpu time spent up to now is 120.9 secs Computing kpt #: 304 total cpu time spent up to now is 121.3 secs Computing kpt #: 305 total cpu time spent up to now is 121.6 secs Computing kpt #: 306 total cpu time spent up to now is 122.0 secs Computing kpt #: 307 total cpu time spent up to now is 122.4 secs Computing kpt #: 308 total cpu time spent up to now is 122.8 secs Computing kpt #: 309 total cpu time spent up to now is 123.2 secs Computing kpt #: 310 total cpu time spent up to now is 123.7 secs Computing kpt #: 311 total cpu time spent up to now is 124.2 secs Computing kpt #: 312 total cpu time spent up to now is 124.7 secs Computing kpt #: 313 total cpu time spent up to now is 125.1 secs Computing kpt #: 314 total cpu time spent up to now is 125.6 secs Computing kpt #: 315 total cpu time spent up to now is 126.1 secs Computing kpt #: 316 total cpu time spent up to now is 126.6 secs Computing kpt #: 317 total cpu time spent up to now is 127.0 secs Computing kpt #: 318 total cpu time spent up to now is 127.5 secs Computing kpt #: 319 total cpu time spent up to now is 128.0 secs Computing kpt #: 320 total cpu time spent up to now is 128.4 secs Computing kpt #: 321 total cpu time spent up to now is 128.9 secs Computing kpt #: 322 total cpu time spent up to now is 129.4 secs Computing kpt #: 323 total cpu time spent up to now is 129.8 secs Computing kpt #: 324 total cpu time spent up to now is 130.3 secs Computing kpt #: 325 total cpu time spent up to now is 130.7 secs Computing kpt #: 326 total cpu time spent up to now is 131.1 secs Computing kpt #: 327 total cpu time spent up to now is 131.5 secs Computing kpt #: 328 total cpu time spent up to now is 131.9 secs Computing kpt #: 329 total cpu time spent up to now is 132.3 secs Computing kpt #: 330 total cpu time spent up to now is 132.7 secs Computing kpt #: 331 total cpu time spent up to now is 133.1 secs Computing kpt #: 332 total cpu time spent up to now is 133.5 secs Computing kpt #: 333 total cpu time spent up to now is 133.9 secs Computing kpt #: 334 total cpu time spent up to now is 134.3 secs Computing kpt #: 335 total cpu time spent up to now is 134.7 secs Computing kpt #: 336 total cpu time spent up to now is 135.0 secs Computing kpt #: 337 total cpu time spent up to now is 135.4 secs Computing kpt #: 338 total cpu time spent up to now is 135.8 secs Computing kpt #: 339 total cpu time spent up to now is 136.2 secs Computing kpt #: 340 total cpu time spent up to now is 136.6 secs Computing kpt #: 341 total cpu time spent up to now is 137.0 secs Computing kpt #: 342 total cpu time spent up to now is 137.4 secs Computing kpt #: 343 total cpu time spent up to now is 137.8 secs Computing kpt #: 344 total cpu time spent up to now is 138.1 secs Computing kpt #: 345 total cpu time spent up to now is 138.5 secs Computing kpt #: 346 total cpu time spent up to now is 138.9 secs Computing kpt #: 347 total cpu time spent up to now is 139.3 secs Computing kpt #: 348 total cpu time spent up to now is 139.7 secs Computing kpt #: 349 total cpu time spent up to now is 140.0 secs Computing kpt #: 350 total cpu time spent up to now is 140.4 secs Computing kpt #: 351 total cpu time spent up to now is 140.8 secs Computing kpt #: 352 total cpu time spent up to now is 141.1 secs Computing kpt #: 353 total cpu time spent up to now is 141.5 secs Computing kpt #: 354 total cpu time spent up to now is 141.9 secs Computing kpt #: 355 total cpu time spent up to now is 142.3 secs Computing kpt #: 356 total cpu time spent up to now is 142.7 secs Computing kpt #: 357 total cpu time spent up to now is 143.1 secs Computing kpt #: 358 total cpu time spent up to now is 143.5 secs Computing kpt #: 359 total cpu time spent up to now is 143.9 secs Computing kpt #: 360 total cpu time spent up to now is 144.3 secs Computing kpt #: 361 total cpu time spent up to now is 144.7 secs Computing kpt #: 362 total cpu time spent up to now is 145.1 secs Computing kpt #: 363 total cpu time spent up to now is 145.5 secs Computing kpt #: 364 total cpu time spent up to now is 145.9 secs Computing kpt #: 365 total cpu time spent up to now is 146.3 secs Computing kpt #: 366 total cpu time spent up to now is 146.6 secs Computing kpt #: 367 total cpu time spent up to now is 147.0 secs Computing kpt #: 368 total cpu time spent up to now is 147.4 secs Computing kpt #: 369 total cpu time spent up to now is 147.8 secs Computing kpt #: 370 total cpu time spent up to now is 148.2 secs Computing kpt #: 371 total cpu time spent up to now is 148.6 secs Computing kpt #: 372 total cpu time spent up to now is 149.0 secs Computing kpt #: 373 total cpu time spent up to now is 149.4 secs Computing kpt #: 374 total cpu time spent up to now is 149.8 secs Computing kpt #: 375 total cpu time spent up to now is 150.2 secs Computing kpt #: 376 total cpu time spent up to now is 150.6 secs Computing kpt #: 377 total cpu time spent up to now is 151.0 secs Computing kpt #: 378 total cpu time spent up to now is 151.4 secs Computing kpt #: 379 total cpu time spent up to now is 151.9 secs Computing kpt #: 380 total cpu time spent up to now is 152.4 secs Computing kpt #: 381 total cpu time spent up to now is 152.8 secs Computing kpt #: 382 total cpu time spent up to now is 153.3 secs Computing kpt #: 383 total cpu time spent up to now is 153.6 secs Computing kpt #: 384 total cpu time spent up to now is 154.0 secs Computing kpt #: 385 total cpu time spent up to now is 154.3 secs Computing kpt #: 386 total cpu time spent up to now is 154.7 secs Computing kpt #: 387 total cpu time spent up to now is 155.0 secs Computing kpt #: 388 total cpu time spent up to now is 155.4 secs Computing kpt #: 389 total cpu time spent up to now is 155.7 secs Computing kpt #: 390 total cpu time spent up to now is 156.1 secs Computing kpt #: 391 total cpu time spent up to now is 156.5 secs Computing kpt #: 392 total cpu time spent up to now is 156.9 secs Computing kpt #: 393 total cpu time spent up to now is 157.2 secs Computing kpt #: 394 total cpu time spent up to now is 157.6 secs Computing kpt #: 395 total cpu time spent up to now is 158.0 secs Computing kpt #: 396 total cpu time spent up to now is 158.4 secs Computing kpt #: 397 total cpu time spent up to now is 158.7 secs Computing kpt #: 398 total cpu time spent up to now is 159.1 secs Computing kpt #: 399 total cpu time spent up to now is 159.5 secs Computing kpt #: 400 total cpu time spent up to now is 159.9 secs Computing kpt #: 401 total cpu time spent up to now is 160.2 secs Computing kpt #: 402 total cpu time spent up to now is 160.6 secs Computing kpt #: 403 total cpu time spent up to now is 161.0 secs Computing kpt #: 404 total cpu time spent up to now is 161.3 secs Computing kpt #: 405 total cpu time spent up to now is 161.7 secs Computing kpt #: 406 total cpu time spent up to now is 162.1 secs Computing kpt #: 407 total cpu time spent up to now is 162.4 secs Computing kpt #: 408 total cpu time spent up to now is 162.8 secs Computing kpt #: 409 total cpu time spent up to now is 163.1 secs Computing kpt #: 410 total cpu time spent up to now is 163.5 secs Computing kpt #: 411 total cpu time spent up to now is 163.8 secs Computing kpt #: 412 total cpu time spent up to now is 164.2 secs Computing kpt #: 413 total cpu time spent up to now is 164.5 secs Computing kpt #: 414 total cpu time spent up to now is 164.9 secs Computing kpt #: 415 total cpu time spent up to now is 165.3 secs Computing kpt #: 416 total cpu time spent up to now is 165.7 secs Computing kpt #: 417 total cpu time spent up to now is 166.0 secs Computing kpt #: 418 total cpu time spent up to now is 166.4 secs Computing kpt #: 419 total cpu time spent up to now is 166.8 secs Computing kpt #: 420 total cpu time spent up to now is 167.2 secs Computing kpt #: 421 total cpu time spent up to now is 167.6 secs Computing kpt #: 422 total cpu time spent up to now is 168.0 secs Computing kpt #: 423 total cpu time spent up to now is 168.4 secs Computing kpt #: 424 total cpu time spent up to now is 168.7 secs Computing kpt #: 425 total cpu time spent up to now is 169.2 secs Computing kpt #: 426 total cpu time spent up to now is 169.6 secs Computing kpt #: 427 total cpu time spent up to now is 170.0 secs Computing kpt #: 428 total cpu time spent up to now is 170.4 secs Computing kpt #: 429 total cpu time spent up to now is 170.8 secs Computing kpt #: 430 total cpu time spent up to now is 171.1 secs Computing kpt #: 431 total cpu time spent up to now is 171.5 secs Computing kpt #: 432 total cpu time spent up to now is 171.9 secs Computing kpt #: 433 total cpu time spent up to now is 172.3 secs Computing kpt #: 434 total cpu time spent up to now is 172.7 secs Computing kpt #: 435 total cpu time spent up to now is 173.1 secs Computing kpt #: 436 total cpu time spent up to now is 173.4 secs Computing kpt #: 437 total cpu time spent up to now is 173.8 secs Computing kpt #: 438 total cpu time spent up to now is 174.2 secs Computing kpt #: 439 total cpu time spent up to now is 174.5 secs Computing kpt #: 440 total cpu time spent up to now is 174.9 secs ethr = 2.17E-08, avg # of iterations = 17.3 total cpu time spent up to now is 174.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3411 PWs) bands (ev): -6.8570 -6.8570 -4.9920 -4.9920 -3.4019 -3.4019 -2.8028 -2.8028 1.8960 1.8960 3.1955 3.1955 3.5294 3.5294 4.2035 4.2035 4.4666 4.4666 4.6792 4.6792 4.7606 4.7606 5.1726 5.1726 5.6213 5.6213 5.7270 5.7270 5.8371 5.8371 5.9127 5.9127 5.9953 5.9953 6.0600 6.0600 6.2462 6.2462 7.2478 7.2478 7.3585 7.3585 9.6598 9.6598 9.7366 9.7366 9.8419 9.8419 10.0409 10.0409 10.9578 10.9578 12.9895 12.9895 13.8965 13.8965 k = 0.0111-0.0000-0.0000 ( 3403 PWs) bands (ev): -6.8561 -6.8561 -4.9919 -4.9919 -3.4014 -3.4014 -2.8026 -2.8026 1.8971 1.8971 3.1955 3.1955 3.5298 3.5298 4.1999 4.1999 4.4666 4.4666 4.6795 4.6795 4.7651 4.7651 5.1640 5.1640 5.6200 5.6200 5.7291 5.7291 5.8375 5.8375 5.9141 5.9141 5.9937 5.9937 6.0591 6.0591 6.2481 6.2481 7.2454 7.2454 7.3598 7.3598 9.6477 9.6477 9.7352 9.7352 9.8514 9.8514 10.0351 10.0351 10.9577 10.9577 12.9952 12.9952 13.8990 13.8990 k = 0.0222-0.0000-0.0000 ( 3387 PWs) bands (ev): -6.8534 -6.8534 -4.9915 -4.9915 -3.3999 -3.3999 -2.8021 -2.8021 1.9006 1.9006 3.1957 3.1957 3.5311 3.5311 4.1895 4.1895 4.4666 4.4666 4.6799 4.6799 4.7784 4.7784 5.1389 5.1389 5.6162 5.6162 5.7347 5.7347 5.8386 5.8386 5.9181 5.9181 5.9886 5.9886 6.0567 6.0567 6.2536 6.2536 7.2381 7.2381 7.3637 7.3637 9.6168 9.6168 9.7318 9.7318 9.8743 9.8743 10.0177 10.0177 10.9573 10.9573 13.0123 13.0123 13.9067 13.9067 k = 0.0333-0.0000-0.0000 ( 3389 PWs) bands (ev): -6.8489 -6.8489 -4.9909 -4.9909 -3.3974 -3.3974 -2.8011 -2.8011 1.9063 1.9063 3.1959 3.1959 3.5331 3.5331 4.1733 4.1733 4.4664 4.4664 4.6803 4.6803 4.7996 4.7996 5.0998 5.0998 5.6100 5.6100 5.7422 5.7422 5.8402 5.8402 5.9241 5.9241 5.9794 5.9794 6.0532 6.0532 6.2625 6.2625 7.2264 7.2264 7.3699 7.3699 9.5749 9.5749 9.7267 9.7267 9.9020 9.9020 9.9891 9.9891 10.9564 10.9564 13.0408 13.0408 13.9194 13.9194 k = 0.0444-0.0000-0.0000 ( 3387 PWs) bands (ev): -6.8427 -6.8427 -4.9901 -4.9901 -3.3939 -3.3939 -2.7998 -2.7998 1.9144 1.9144 3.1960 3.1960 3.5359 3.5359 4.1525 4.1525 4.4661 4.4661 4.6806 4.6806 4.8275 4.8275 5.0494 5.0494 5.6015 5.6015 5.7501 5.7501 5.8424 5.8424 5.9312 5.9312 5.9657 5.9657 6.0494 6.0494 6.2745 6.2745 7.2104 7.2104 7.3784 7.3784 9.5269 9.5269 9.7197 9.7197 9.9299 9.9299 9.9501 9.9501 10.9551 10.9551 13.0805 13.0805 13.9370 13.9370 k = 0.0556-0.0000-0.0000 ( 3391 PWs) bands (ev): -6.8346 -6.8346 -4.9891 -4.9891 -3.3894 -3.3894 -2.7982 -2.7982 1.9247 1.9247 3.1959 3.1959 3.5394 3.5394 4.1282 4.1282 4.4657 4.4657 4.6806 4.6806 4.8604 4.8604 4.9912 4.9912 5.5907 5.5907 5.7572 5.7572 5.8449 5.8449 5.9377 5.9377 5.9485 5.9485 6.0457 6.0457 6.2889 6.2889 7.1907 7.1907 7.3891 7.3891 9.4752 9.4752 9.7107 9.7107 9.9003 9.9003 9.9571 9.9571 10.9532 10.9532 13.1312 13.1312 13.9593 13.9593 k = 0.0667-0.0000-0.0000 ( 3387 PWs) bands (ev): -6.8248 -6.8248 -4.9879 -4.9879 -3.3840 -3.3840 -2.7962 -2.7962 1.9373 1.9373 3.1955 3.1955 3.5436 3.5436 4.1016 4.1016 4.4652 4.4652 4.6806 4.6806 4.8906 4.8906 4.9342 4.9342 5.5775 5.5775 5.7630 5.7630 5.8470 5.8470 5.9235 5.9235 5.9477 5.9477 6.0424 6.0424 6.3051 6.3051 7.1678 7.1678 7.4018 7.4018 9.4211 9.4211 9.6995 9.6995 9.8421 9.8421 9.9809 9.9809 10.9504 10.9504 13.1926 13.1926 13.9861 13.9861 k = 0.0778-0.0000-0.0000 ( 3391 PWs) bands (ev): -6.8133 -6.8133 -4.9866 -4.9866 -3.3776 -3.3776 -2.7938 -2.7938 1.9522 1.9522 3.1947 3.1947 3.5484 3.5484 4.0736 4.0736 4.4644 4.4644 4.6802 4.6802 4.8491 4.8491 4.9486 4.9486 5.5618 5.5618 5.7670 5.7670 5.8462 5.8462 5.9007 5.9007 5.9541 5.9541 6.0393 6.0393 6.3221 6.3221 7.1421 7.1421 7.4163 7.4163 9.3656 9.3656 9.6859 9.6859 9.7758 9.7758 10.0016 10.0016 10.9468 10.9468 13.2645 13.2645 14.0170 14.0170 k = 0.0889-0.0000-0.0000 ( 3387 PWs) bands (ev): -6.8000 -6.8000 -4.9853 -4.9853 -3.3703 -3.3703 -2.7912 -2.7912 1.9693 1.9693 3.1931 3.1931 3.5536 3.5536 4.0447 4.0447 4.4634 4.4634 4.6789 4.6789 4.7799 4.7799 4.9921 4.9921 5.5437 5.5437 5.7680 5.7680 5.8344 5.8344 5.8864 5.8864 5.9598 5.9598 6.0366 6.0366 6.3394 6.3394 7.1142 7.1142 7.4326 7.4326 9.3094 9.3094 9.6687 9.6687 9.7033 9.7033 10.0190 10.0190 10.9421 10.9421 13.3464 13.3464 14.0475 14.0475 k = 0.1000-0.0000-0.0000 ( 3383 PWs) bands (ev): -6.7850 -6.7850 -4.9838 -4.9838 -3.3621 -3.3621 -2.7883 -2.7883 1.9887 1.9887 3.1904 3.1904 3.5593 3.5593 4.0155 4.0155 4.4619 4.4619 4.6703 4.6703 4.7154 4.7154 5.0395 5.0395 5.5230 5.5230 5.7609 5.7609 5.8121 5.8121 5.8857 5.8857 5.9644 5.9644 6.0339 6.0339 6.3561 6.3561 7.0846 7.0846 7.4502 7.4502 9.2529 9.2529 9.6184 9.6184 9.6550 9.6550 10.0327 10.0327 10.9362 10.9362 13.4380 13.4380 14.0186 14.0186 k = 0.1111-0.0000-0.0000 ( 3381 PWs) bands (ev): -6.7683 -6.7683 -4.9824 -4.9824 -3.3529 -3.3529 -2.7851 -2.7851 2.0103 2.0103 3.1864 3.1864 3.5652 3.5652 3.9864 3.9864 4.4600 4.4600 4.6209 4.6209 4.6918 4.6918 5.0891 5.0891 5.4999 5.4999 5.7345 5.7345 5.7984 5.7984 5.8914 5.8914 5.9681 5.9681 6.0314 6.0314 6.3717 6.3717 7.0538 7.0538 7.4691 7.4691 9.1967 9.1967 9.5339 9.5339 9.6328 9.6328 10.0429 10.0429 10.9291 10.9291 13.5388 13.5388 13.9770 13.9770 k = 0.1222-0.0000-0.0000 ( 3377 PWs) bands (ev): -6.7499 -6.7499 -4.9810 -4.9810 -3.3429 -3.3429 -2.7816 -2.7816 2.0341 2.0341 3.1805 3.1805 3.5711 3.5711 3.9576 3.9576 4.4572 4.4572 4.5519 4.5519 4.6896 4.6896 5.1403 5.1403 5.4743 5.4743 5.6914 5.6914 5.7950 5.7950 5.8997 5.8997 5.9709 5.9709 6.0290 6.0290 6.3858 6.3858 7.0221 7.0221 7.4889 7.4889 9.1413 9.1413 9.4436 9.4436 9.6092 9.6092 10.0494 10.0494 10.9207 10.9207 13.6483 13.6483 13.9282 13.9282 k = 0.1333-0.0000-0.0000 ( 3377 PWs) bands (ev): -6.7298 -6.7298 -4.9797 -4.9797 -3.3321 -3.3321 -2.7780 -2.7780 2.0600 2.0600 3.1724 3.1724 3.5770 3.5770 3.9294 3.9294 4.4507 4.4507 4.4858 4.4858 4.6903 4.6903 5.1923 5.1923 5.4465 5.4465 5.6405 5.6405 5.7949 5.7949 5.9093 5.9093 5.9729 5.9729 6.0266 6.0266 6.3982 6.3982 6.9898 6.9898 7.5095 7.5095 9.0870 9.0870 9.3493 9.3493 9.5831 9.5831 10.0524 10.0524 10.9110 10.9110 13.7656 13.7656 13.8735 13.8735 k = 0.1444-0.0000-0.0000 ( 3375 PWs) bands (ev): -6.7082 -6.7082 -4.9787 -4.9787 -3.3204 -3.3204 -2.7742 -2.7742 2.0881 2.0881 3.1616 3.1616 3.5826 3.5826 3.9020 3.9020 4.4092 4.4092 4.4569 4.4569 4.6920 4.6920 5.2442 5.2442 5.4167 5.4167 5.5856 5.5856 5.7958 5.7958 5.9194 5.9194 5.9746 5.9746 6.0243 6.0243 6.4085 6.4085 6.9573 6.9573 7.5305 7.5305 9.0341 9.0341 9.2518 9.2518 9.5545 9.5545 10.0518 10.0518 10.8998 10.8998 13.8141 13.8141 13.8904 13.8904 k = 0.1556-0.0000-0.0000 ( 3371 PWs) bands (ev): -6.6849 -6.6849 -4.9779 -4.9779 -3.3080 -3.3080 -2.7702 -2.7702 2.1184 2.1184 3.1475 3.1475 3.5876 3.5876 3.8756 3.8756 4.3483 4.3483 4.4509 4.4509 4.6944 4.6944 5.2932 5.2932 5.3863 5.3863 5.5293 5.5293 5.7973 5.7973 5.9296 5.9296 5.9763 5.9763 6.0222 6.0222 6.4169 6.4169 6.9248 6.9248 7.5519 7.5519 8.9830 8.9830 9.1519 9.1519 9.5234 9.5234 10.0478 10.0478 10.8871 10.8871 13.7518 13.7518 14.0212 14.0212 k = 0.1667-0.0000-0.0000 ( 3373 PWs) bands (ev): -6.6601 -6.6601 -4.9774 -4.9774 -3.2948 -3.2948 -2.7661 -2.7661 2.1507 2.1507 3.1297 3.1297 3.5917 3.5917 3.8502 3.8502 4.2911 4.2911 4.4456 4.4456 4.6973 4.6973 5.3235 5.3235 5.3653 5.3653 5.4781 5.4781 5.7993 5.7993 5.9389 5.9389 5.9785 5.9785 6.0204 6.0204 6.4232 6.4232 6.8923 6.8923 7.5734 7.5734 8.9335 8.9335 9.0506 9.0506 9.4898 9.4898 10.0405 10.0405 10.8728 10.8728 13.6875 13.6875 14.1571 14.1571 k = 0.1778-0.0000-0.0000 ( 3381 PWs) bands (ev): -6.6338 -6.6338 -4.9774 -4.9774 -3.2809 -3.2809 -2.7620 -2.7620 2.1851 2.1851 3.1078 3.1078 3.5947 3.5947 3.8259 3.8259 4.2397 4.2397 4.4398 4.4398 4.7009 4.7009 5.3025 5.3025 5.3583 5.3583 5.4605 5.4605 5.8021 5.8021 5.9462 5.9462 5.9821 5.9821 6.0190 6.0190 6.4275 6.4275 6.8600 6.8600 7.5948 7.5948 8.8846 8.8846 8.9498 8.9498 9.4538 9.4538 10.0300 10.0300 10.8570 10.8570 13.6224 13.6224 14.2965 14.2965 k = 0.1889-0.0000-0.0000 ( 3379 PWs) bands (ev): -6.6059 -6.6059 -4.9778 -4.9778 -3.2663 -3.2663 -2.7578 -2.7578 2.2215 2.2215 3.0816 3.0816 3.5961 3.5961 3.8029 3.8029 4.1948 4.1948 4.4331 4.4331 4.7051 4.7051 5.2661 5.2661 5.3130 5.3130 5.4935 5.4935 5.8062 5.8062 5.9508 5.9508 5.9877 5.9877 6.0184 6.0184 6.4299 6.4299 6.8280 6.8280 7.6161 7.6161 8.8244 8.8244 8.8624 8.8624 9.4155 9.4155 10.0165 10.0165 10.8395 10.8395 13.5574 13.5574 14.4368 14.4368 k = 0.2000-0.0000-0.0000 ( 3385 PWs) bands (ev): -6.5767 -6.5767 -4.9789 -4.9789 -3.2511 -3.2511 -2.7536 -2.7536 2.2599 2.2599 3.0509 3.0509 3.5954 3.5954 3.7813 3.7813 4.1570 4.1570 4.4254 4.4254 4.7097 4.7097 5.2264 5.2264 5.2543 5.2543 5.5397 5.5397 5.8123 5.8123 5.9527 5.9527 5.9947 5.9947 6.0194 6.0194 6.4303 6.4303 6.7961 6.7961 7.6372 7.6372 8.7305 8.7305 8.8109 8.8109 9.3751 9.3751 10.0002 10.0002 10.8203 10.8203 13.4934 13.4934 14.5742 14.5742 k = 0.2111-0.0000-0.0000 ( 3378 PWs) bands (ev): -6.5460 -6.5460 -4.9806 -4.9806 -3.2353 -3.2353 -2.7495 -2.7495 2.3002 2.3002 3.0161 3.0161 3.5923 3.5923 3.7611 3.7611 4.1264 4.1264 4.4167 4.4167 4.7148 4.7148 5.1844 5.1844 5.1940 5.1940 5.5858 5.5858 5.8219 5.8219 5.9528 5.9528 6.0009 6.0009 6.0234 6.0234 6.4291 6.4291 6.7645 6.7645 7.6579 7.6579 8.6283 8.6283 8.7709 8.7709 9.3327 9.3327 9.9812 9.9812 10.7994 10.7994 13.4309 13.4309 14.6500 14.6500 k = 0.2222-0.0000-0.0000 ( 3384 PWs) bands (ev): -6.5140 -6.5140 -4.9831 -4.9831 -3.2190 -3.2190 -2.7454 -2.7454 2.3425 2.3425 2.9775 2.9775 3.5861 3.5861 3.7423 3.7423 4.1028 4.1028 4.4070 4.4070 4.7199 4.7199 5.1321 5.1321 5.1437 5.1437 5.6269 5.6269 5.8364 5.8364 5.9521 5.9521 6.0053 6.0053 6.0310 6.0310 6.4261 6.4261 6.7332 6.7332 7.6783 7.6783 8.5256 8.5256 8.7350 8.7350 9.2886 9.2886 9.9598 9.9598 10.7768 10.7768 13.3706 13.3706 14.7194 14.7194 k = 0.2333-0.0000-0.0000 ( 3388 PWs) bands (ev): -6.4807 -6.4807 -4.9864 -4.9864 -3.2022 -3.2022 -2.7415 -2.7415 2.3865 2.3865 2.9359 2.9359 3.5764 3.5764 3.7251 3.7251 4.0858 4.0858 4.3962 4.3962 4.7248 4.7248 5.0743 5.0743 5.1007 5.1007 5.6598 5.6598 5.8570 5.8570 5.9515 5.9515 6.0097 6.0097 6.0409 6.0409 6.4216 6.4216 6.7021 6.7021 7.6983 7.6983 8.4236 8.4236 8.7023 8.7023 9.2429 9.2429 9.9362 9.9362 10.7524 10.7524 13.3129 13.3129 14.7910 14.7910 k = 0.2444-0.0000-0.0000 ( 3392 PWs) bands (ev): -6.4462 -6.4462 -4.9908 -4.9908 -3.1850 -3.1850 -2.7378 -2.7378 2.4324 2.4324 2.8919 2.8919 3.5625 3.5625 3.7094 3.7094 4.0749 4.0749 4.3847 4.3847 4.7287 4.7287 5.0189 5.0189 5.0587 5.0587 5.6829 5.6829 5.8817 5.8817 5.9522 5.9522 6.0173 6.0173 6.0518 6.0518 6.4155 6.4155 6.6714 6.6714 7.7179 7.7179 8.3231 8.3231 8.6724 8.6724 9.1959 9.1959 9.9108 9.9108 10.7263 10.7263 13.2581 13.2581 14.8636 14.8636 k = 0.2556-0.0000-0.0000 ( 3392 PWs) bands (ev): -6.4105 -6.4105 -4.9961 -4.9961 -3.1674 -3.1674 -2.7343 -2.7343 2.4800 2.4800 2.8465 2.8465 3.5440 3.5440 3.6954 3.6954 4.0694 4.0694 4.3725 4.3725 4.7304 4.7304 4.9667 4.9667 5.0190 5.0190 5.6973 5.6973 5.9030 5.9030 5.9559 5.9559 6.0332 6.0332 6.0629 6.0629 6.4080 6.4080 6.6409 6.6409 7.7371 7.7371 8.2246 8.2246 8.6452 8.6452 9.1478 9.1478 9.8838 9.8838 10.6984 10.6984 13.2066 13.2066 14.8635 14.8635 k = 0.2667-0.0000-0.0000 ( 3396 PWs) bands (ev): -6.3736 -6.3736 -5.0026 -5.0026 -3.1494 -3.1494 -2.7311 -2.7311 2.5292 2.5292 2.8005 2.8005 3.5205 3.5205 3.6831 3.6831 4.0687 4.0687 4.3599 4.3599 4.7280 4.7280 4.9182 4.9182 4.9837 4.9837 5.7054 5.7054 5.9141 5.9141 5.9623 5.9623 6.0623 6.0623 6.0740 6.0740 6.3991 6.3991 6.6108 6.6108 7.7558 7.7558 8.1286 8.1286 8.6202 8.6202 9.0988 9.0988 9.8556 9.8556 10.6688 10.6688 13.1585 13.1585 14.7969 14.7969 k = 0.2778-0.0000-0.0000 ( 3388 PWs) bands (ev): -6.3358 -6.3358 -5.0104 -5.0104 -3.1312 -3.1312 -2.7282 -2.7282 2.5800 2.5800 2.7547 2.7547 3.4918 3.4918 3.6727 3.6727 4.0722 4.0722 4.3472 4.3472 4.7188 4.7188 4.8733 4.8733 4.9557 4.9557 5.7091 5.7091 5.9171 5.9171 5.9676 5.9676 6.0848 6.0848 6.1040 6.1040 6.3891 6.3891 6.5812 6.5812 7.7740 7.7740 8.0360 8.0360 8.5972 8.5972 9.0492 9.0492 9.8267 9.8267 10.6374 10.6374 13.1141 13.1141 14.7104 14.7104 k = 0.2889-0.0000-0.0000 ( 3394 PWs) bands (ev): -6.2969 -6.2969 -5.0194 -5.0194 -3.1127 -3.1127 -2.7257 -2.7257 2.6323 2.6323 2.7099 2.7099 3.4578 3.4578 3.6640 3.6640 4.0792 4.0792 4.3346 4.3346 4.7002 4.7002 4.8320 4.8320 4.9376 4.9376 5.7097 5.7097 5.9166 5.9166 5.9707 5.9707 6.0952 6.0952 6.1530 6.1530 6.3779 6.3779 6.5521 6.5521 7.7912 7.7912 7.9478 7.9478 8.5758 8.5758 8.9992 8.9992 9.7975 9.7975 10.6044 10.6044 13.0735 13.0735 14.6139 14.6139 k = 0.3000-0.0000-0.0000 ( 3402 PWs) bands (ev): -6.2571 -6.2571 -5.0299 -5.0299 -3.0941 -3.0941 -2.7236 -2.7236 2.6654 2.6654 2.6872 2.6872 3.4188 3.4188 3.6571 3.6571 4.0892 4.0892 4.3221 4.3221 4.6716 4.6716 4.7942 4.7942 4.9304 4.9304 5.7081 5.7081 5.9149 5.9149 5.9725 5.9725 6.1052 6.1052 6.2049 6.2049 6.3659 6.3659 6.5238 6.5238 7.8036 7.8036 7.8684 7.8684 8.5554 8.5554 8.9491 8.9491 9.7685 9.7685 10.5697 10.5697 13.0368 13.0368 14.5127 14.5127 k = 0.3111-0.0000-0.0000 ( 3396 PWs) bands (ev): -6.2165 -6.2165 -5.0418 -5.0418 -3.0754 -3.0754 -2.7219 -2.7219 2.6250 2.6250 2.7417 2.7417 3.3750 3.3750 3.6521 3.6521 4.1018 4.1018 4.3097 4.3097 4.6348 4.6348 4.7596 4.7596 4.9326 4.9326 5.7048 5.7048 5.9130 5.9130 5.9737 5.9737 6.1148 6.1148 6.2563 6.2563 6.3538 6.3538 6.4963 6.4963 7.7700 7.7700 7.8399 7.8399 8.5356 8.5356 8.8990 8.8990 9.7404 9.7404 10.5335 10.5335 13.0041 13.0041 14.4100 14.4100 k = 0.3222-0.0000-0.0000 ( 3392 PWs) bands (ev): -6.1752 -6.1752 -5.0552 -5.0552 -3.0567 -3.0567 -2.7208 -2.7208 2.5865 2.5865 2.7980 2.7980 3.3272 3.3272 3.6491 3.6491 4.1164 4.1164 4.2972 4.2972 4.5923 4.5923 4.7276 4.7276 4.9418 4.9418 5.6999 5.6999 5.9112 5.9112 5.9748 5.9748 6.1238 6.1238 6.3004 6.3004 6.3466 6.3466 6.4699 6.4699 7.7006 7.7006 7.8532 7.8532 8.5158 8.5158 8.8493 8.8493 9.7137 9.7137 10.4957 10.4957 12.9754 12.9754 14.3076 14.3076 k = 0.3333-0.0000-0.0000 ( 3398 PWs) bands (ev): -6.1332 -6.1332 -5.0702 -5.0702 -3.0380 -3.0380 -2.7202 -2.7202 2.5510 2.5510 2.8556 2.8556 3.2759 3.2759 3.6480 3.6480 4.1327 4.1327 4.2842 4.2842 4.5463 4.5463 4.6980 4.6980 4.9560 4.9560 5.6934 5.6934 5.9099 5.9099 5.9759 5.9759 6.1321 6.1321 6.3100 6.3100 6.3692 6.3692 6.4458 6.4458 7.6344 7.6344 7.8702 7.8702 8.4953 8.4953 8.8000 8.8000 9.6890 9.6890 10.4566 10.4566 12.9509 12.9509 14.2066 14.2066 k = 0.3444-0.0000-0.0000 ( 3394 PWs) bands (ev): -6.0906 -6.0906 -5.0868 -5.0868 -3.0193 -3.0193 -2.7202 -2.7202 2.5190 2.5190 2.9141 2.9141 3.2220 3.2220 3.6490 3.6490 4.1504 4.1504 4.2702 4.2702 4.4985 4.4985 4.6704 4.6704 4.9739 4.9739 5.6856 5.6856 5.9093 5.9093 5.9773 5.9773 6.1399 6.1399 6.2975 6.2975 6.3990 6.3990 6.4329 6.4329 7.5758 7.5758 7.8881 7.8881 8.4736 8.4736 8.7515 8.7515 9.6671 9.6671 10.4163 10.4163 12.9307 12.9307 14.1077 14.1077 k = 0.3556-0.0000-0.0000 ( 3382 PWs) bands (ev): -6.0475 -6.0475 -5.1052 -5.1052 -3.0008 -3.0008 -2.7209 -2.7209 2.4908 2.4908 2.9735 2.9735 3.1662 3.1662 3.6520 3.6520 4.1691 4.1691 4.2547 4.2547 4.4497 4.4497 4.6448 4.6448 4.9948 4.9948 5.6761 5.6761 5.9096 5.9096 5.9791 5.9791 6.1468 6.1468 6.2814 6.2814 6.3892 6.3892 6.4584 6.4584 7.5268 7.5268 7.9065 7.9065 8.4498 8.4498 8.7038 8.7038 9.6485 9.6485 10.3748 10.3748 12.9146 12.9146 14.0115 14.0115 k = 0.3667-0.0000-0.0000 ( 3378 PWs) bands (ev): -6.0041 -6.0041 -5.1252 -5.1252 -2.9825 -2.9825 -2.7222 -2.7222 2.4665 2.4665 3.0330 3.0330 3.1101 3.1101 3.6571 3.6571 4.1885 4.1885 4.2369 4.2369 4.4008 4.4008 4.6210 4.6210 5.0181 5.0181 5.6650 5.6650 5.9109 5.9109 5.9813 5.9813 6.1526 6.1526 6.2644 6.2644 6.3692 6.3692 6.4890 6.4890 7.4891 7.4891 7.9252 7.9252 8.4235 8.4235 8.6572 8.6572 9.6338 9.6338 10.3323 10.3323 12.9028 12.9028 13.9183 13.9183 k = 0.3778-0.0000-0.0000 ( 3380 PWs) bands (ev): -5.9604 -5.9604 -5.1469 -5.1469 -2.9645 -2.9645 -2.7242 -2.7242 2.4464 2.4464 3.0479 3.0479 3.0985 3.0985 3.6643 3.6643 4.2083 4.2083 4.2163 4.2163 4.3522 4.3522 4.5989 4.5989 5.0433 5.0433 5.6521 5.6521 5.9133 5.9133 5.9842 5.9842 6.1569 6.1569 6.2470 6.2470 6.3498 6.3498 6.5126 6.5126 7.4642 7.4642 7.9443 7.9443 8.3941 8.3941 8.6117 8.6117 9.6236 9.6236 10.2889 10.2889 12.8953 12.8953 13.8285 13.8285 k = 0.3889-0.0000-0.0000 ( 3376 PWs) bands (ev): -5.9165 -5.9165 -5.1704 -5.1704 -2.9468 -2.9468 -2.7270 -2.7270 2.4307 2.4307 2.9921 2.9921 3.1584 3.1584 3.6736 3.6736 4.1924 4.1924 4.2278 4.2278 4.3049 4.3049 4.5785 4.5785 5.0703 5.0703 5.6375 5.6375 5.9169 5.9169 5.9876 5.9876 6.1588 6.1588 6.2303 6.2303 6.3325 6.3325 6.5270 6.5270 7.4531 7.4531 7.9639 7.9639 8.3614 8.3614 8.5674 8.5674 9.6181 9.6181 10.2449 10.2449 12.8921 12.8921 13.7422 13.7422 k = 0.4000-0.0000-0.0000 ( 3384 PWs) bands (ev): -5.8725 -5.8725 -5.1956 -5.1956 -2.9295 -2.9295 -2.7305 -2.7305 2.4194 2.4194 2.9354 2.9354 3.2202 3.2202 3.6850 3.6850 4.1650 4.1650 4.2395 4.2395 4.2663 4.2663 4.5597 4.5597 5.0988 5.0988 5.6207 5.6207 5.9217 5.9217 5.9918 5.9918 6.1572 6.1572 6.2148 6.2148 6.3181 6.3181 6.5319 6.5319 7.4560 7.4560 7.9841 7.9841 8.3249 8.3249 8.5246 8.5246 9.6176 9.6176 10.2003 10.2003 12.8932 12.8932 13.6596 13.6596 k = 0.4111-0.0000-0.0000 ( 3388 PWs) bands (ev): -5.8286 -5.8286 -5.2224 -5.2224 -2.9126 -2.9126 -2.7348 -2.7348 2.4127 2.4127 2.8797 2.8797 3.2825 3.2825 3.6987 3.6987 4.1339 4.1339 4.2058 4.2058 4.2741 4.2741 4.5423 4.5423 5.1285 5.1285 5.6022 5.6022 5.9278 5.9278 5.9966 5.9966 6.1511 6.1511 6.2012 6.2012 6.3077 6.3077 6.5280 6.5280 7.4719 7.4719 8.0048 8.0048 8.2847 8.2847 8.4831 8.4831 9.6222 9.6222 10.1554 10.1554 12.8987 12.8987 13.5809 13.5809 k = 0.4222-0.0000-0.0000 ( 3378 PWs) bands (ev): -5.7848 -5.7848 -5.2510 -5.2510 -2.8962 -2.8962 -2.7399 -2.7399 2.4107 2.4107 2.8256 2.8256 3.3449 3.3449 3.7145 3.7145 4.0990 4.0990 4.1616 4.1616 4.2933 4.2933 4.5261 4.5261 5.1595 5.1595 5.5819 5.5819 5.9351 5.9351 6.0022 6.0022 6.1407 6.1407 6.1888 6.1888 6.3021 6.3021 6.5168 6.5168 7.4993 7.4993 8.0262 8.0262 8.2410 8.2410 8.4432 8.4432 9.6318 9.6318 10.1105 10.1105 12.9085 12.9085 13.5062 13.5062 k = 0.4333-0.0000-0.0000 ( 3378 PWs) bands (ev): -5.7414 -5.7414 -5.2811 -5.2811 -2.8804 -2.8804 -2.7459 -2.7459 2.4132 2.4132 2.7735 2.7735 3.4072 3.4072 3.7325 3.7325 4.0607 4.0607 4.1177 4.1177 4.3130 4.3130 4.5107 4.5107 5.1913 5.1913 5.5595 5.5595 5.9436 5.9436 6.0084 6.0084 6.1275 6.1275 6.1763 6.1763 6.3015 6.3015 6.5002 6.5002 7.5362 7.5362 8.0482 8.0482 8.1939 8.1939 8.4047 8.4047 9.6462 9.6462 10.0657 10.0657 12.9227 12.9227 13.4355 13.4355 k = 0.4444-0.0000-0.0000 ( 3382 PWs) bands (ev): -5.6982 -5.6982 -5.3128 -5.3128 -2.8651 -2.8651 -2.7527 -2.7527 2.4203 2.4203 2.7239 2.7239 3.4692 3.4692 3.7527 3.7527 4.0192 4.0192 4.0749 4.0749 4.3325 4.3325 4.4959 4.4959 5.2239 5.2239 5.5352 5.5352 5.9531 5.9531 6.0149 6.0149 6.1135 6.1135 6.1630 6.1630 6.3055 6.3055 6.4801 6.4801 7.5805 7.5805 8.0703 8.0703 8.1445 8.1445 8.3677 8.3677 9.6651 9.6651 10.0213 10.0213 12.9413 12.9413 13.3690 13.3690 k = 0.4556-0.0000-0.0000 ( 3386 PWs) bands (ev): -5.6556 -5.6556 -5.3461 -5.3461 -2.8505 -2.8505 -2.7603 -2.7603 2.4320 2.4320 2.6770 2.6770 3.5308 3.5308 3.7750 3.7750 3.9745 3.9745 4.0335 4.0335 4.3515 4.3515 4.4814 4.4814 5.2569 5.2569 5.5090 5.5090 5.9636 5.9636 6.0210 6.0210 6.1003 6.1003 6.1488 6.1488 6.3134 6.3134 6.4581 6.4581 7.6304 7.6304 8.0799 8.0799 8.1057 8.1057 8.3322 8.3322 9.6883 9.6883 9.9775 9.9775 12.9644 12.9644 13.3067 13.3067 k = 0.4667-0.0000-0.0000 ( 3386 PWs) bands (ev): -5.6136 -5.6136 -5.3807 -5.3807 -2.8366 -2.8366 -2.7687 -2.7687 2.4482 2.4482 2.6332 2.6332 3.5915 3.5915 3.7994 3.7994 3.9270 3.9270 3.9940 3.9940 4.3699 4.3699 4.4669 4.4669 5.2903 5.2903 5.4811 5.4811 5.9749 5.9749 6.0254 6.0254 6.0900 6.0900 6.1344 6.1344 6.3244 6.3244 6.4355 6.4355 7.6843 7.6843 8.0319 8.0319 8.1234 8.1234 8.2981 8.2981 9.7152 9.7152 9.9347 9.9347 12.9918 12.9918 13.2487 13.2487 k = 0.4778-0.0000-0.0000 ( 3394 PWs) bands (ev): -5.5723 -5.5723 -5.4167 -5.4167 -2.8233 -2.8233 -2.7781 -2.7781 2.4689 2.4689 2.5928 2.5928 3.6513 3.6513 3.8251 3.8251 3.8776 3.8776 3.9565 3.9565 4.3877 4.3877 4.4521 4.4521 5.3235 5.3235 5.4517 5.4517 5.9867 5.9867 6.0256 6.0256 6.0852 6.0852 6.1203 6.1203 6.3380 6.3380 6.4132 6.4132 7.7409 7.7409 7.9754 7.9754 8.1488 8.1488 8.2655 8.2655 9.7455 9.7455 9.8931 9.8931 13.0236 13.0236 13.1949 13.1949 k = 0.4889-0.0000-0.0000 ( 3394 PWs) bands (ev): -5.5319 -5.5319 -5.4540 -5.4540 -2.8108 -2.8108 -2.7882 -2.7882 2.4938 2.4938 2.5559 2.5559 3.7098 3.7098 3.8199 3.8199 3.8588 3.8588 3.9211 3.9211 4.4048 4.4048 4.4369 4.4369 5.3566 5.3566 5.4210 5.4210 5.9987 5.9987 6.0200 6.0200 6.0876 6.0876 6.1071 6.1071 6.3540 6.3540 6.3919 6.3919 7.7991 7.7991 7.9172 7.9172 8.1759 8.1759 8.2343 8.2343 9.7789 9.7789 9.8530 9.8530 13.0599 13.0599 13.1455 13.1455 k = 0.5000-0.0000-0.0000 ( 3402 PWs) bands (ev): -5.4924 -5.4924 -5.4924 -5.4924 -2.7991 -2.7991 -2.7991 -2.7991 2.5228 2.5228 2.5228 2.5228 3.7665 3.7665 3.7665 3.7665 3.8881 3.8881 3.8881 3.8881 4.4211 4.4211 4.4212 4.4212 5.3892 5.3892 5.3892 5.3892 6.0102 6.0102 6.0103 6.0103 6.0957 6.0957 6.0957 6.0957 6.3720 6.3720 6.3720 6.3720 7.8581 7.8581 7.8581 7.8581 8.2044 8.2044 8.2044 8.2044 9.8148 9.8148 9.8148 9.8148 13.1005 13.1005 13.1005 13.1005 k = 0.5000-0.0000-0.0000 ( 3402 PWs) bands (ev): -5.4924 -5.4924 -5.4924 -5.4924 -2.7991 -2.7991 -2.7991 -2.7991 2.5228 2.5228 2.5228 2.5228 3.7665 3.7665 3.7665 3.7665 3.8881 3.8881 3.8881 3.8881 4.4211 4.4211 4.4212 4.4212 5.3892 5.3892 5.3892 5.3892 6.0102 6.0102 6.0103 6.0103 6.0957 6.0957 6.0957 6.0957 6.3720 6.3720 6.3720 6.3720 7.8581 7.8581 7.8581 7.8581 8.2044 8.2044 8.2044 8.2044 9.8148 9.8148 9.8148 9.8148 13.1005 13.1005 13.1005 13.1005 k = 0.5000 0.0112-0.0000 ( 3390 PWs) bands (ev): -5.4918 -5.4918 -5.4918 -5.4918 -2.8003 -2.8003 -2.8000 -2.8000 2.5236 2.5236 2.5240 2.5240 3.7418 3.7418 3.7534 3.7534 3.9020 3.9020 3.9126 3.9126 4.4190 4.4190 4.4212 4.4212 5.3891 5.3891 5.3919 5.3919 6.0090 6.0090 6.0114 6.0114 6.0945 6.0945 6.0968 6.0968 6.3688 6.3688 6.3704 6.3704 7.8522 7.8522 7.8593 7.8593 8.2002 8.2002 8.2100 8.2100 9.8180 9.8180 9.8192 9.8192 13.1057 13.1057 13.1069 13.1069 k = 0.5000 0.0223-0.0000 ( 3390 PWs) bands (ev): -5.4900 -5.4900 -5.4899 -5.4899 -2.8037 -2.8037 -2.8030 -2.8030 2.5263 2.5263 2.5272 2.5272 3.7002 3.7002 3.7157 3.7157 3.9411 3.9411 3.9546 3.9546 4.4146 4.4146 4.4191 4.4191 5.3917 5.3917 5.3973 5.3973 6.0077 6.0077 6.0123 6.0123 6.0929 6.0929 6.0976 6.0976 6.3609 6.3609 6.3639 6.3639 7.8418 7.8418 7.8557 7.8557 8.1977 8.1977 8.2167 8.2167 9.8287 9.8287 9.8312 9.8312 13.1225 13.1225 13.1249 13.1249 k = 0.5000 0.0335-0.0000 ( 3394 PWs) bands (ev): -5.4869 -5.4869 -5.4868 -5.4868 -2.8091 -2.8091 -2.8081 -2.8081 2.5309 2.5309 2.5323 2.5323 3.6545 3.6545 3.6712 3.6712 3.9874 3.9874 4.0012 4.0012 4.4081 4.4081 4.4149 4.4149 5.3969 5.3969 5.4052 5.4052 6.0061 6.0061 6.0130 6.0130 6.0909 6.0909 6.0982 6.0982 6.3484 6.3484 6.3524 6.3524 7.8274 7.8274 7.8473 7.8473 8.1972 8.1972 8.2245 8.2245 9.8467 9.8467 9.8502 9.8502 13.1507 13.1507 13.1542 13.1542 k = 0.5000 0.0447-0.0000 ( 3398 PWs) bands (ev): -5.4826 -5.4826 -5.4825 -5.4825 -2.8166 -2.8166 -2.8152 -2.8152 2.5375 2.5375 2.5393 2.5393 3.6083 3.6083 3.6257 3.6257 4.0353 4.0353 4.0484 4.0484 4.3994 4.3994 4.4087 4.4087 5.4047 5.4047 5.4156 5.4156 6.0045 6.0045 6.0134 6.0134 6.0884 6.0884 6.0985 6.0985 6.3317 6.3317 6.3362 6.3362 7.8095 7.8095 7.8345 7.8345 8.1990 8.1990 8.2334 8.2334 9.8716 9.8716 9.8760 9.8760 13.1900 13.1900 13.1946 13.1946 k = 0.5000 0.0558-0.0000 ( 3406 PWs) bands (ev): -5.4771 -5.4771 -5.4770 -5.4770 -2.8261 -2.8261 -2.8244 -2.8244 2.5459 2.5459 2.5481 2.5481 3.5631 3.5631 3.5808 3.5808 4.0827 4.0827 4.0945 4.0945 4.3889 4.3889 4.4008 4.4008 5.4150 5.4150 5.4283 5.4283 6.0027 6.0027 6.0134 6.0134 6.0852 6.0852 6.0985 6.0985 6.3113 6.3113 6.3154 6.3154 7.7888 7.7888 7.8179 7.8179 8.2035 8.2035 8.2437 8.2437 9.9029 9.9029 9.9080 9.9080 13.2399 13.2399 13.2457 13.2457 k = 0.5000 0.0670-0.0000 ( 3398 PWs) bands (ev): -5.4704 -5.4704 -5.4703 -5.4703 -2.8375 -2.8375 -2.8355 -2.8355 2.5561 2.5561 2.5588 2.5588 3.5197 3.5197 3.5374 3.5374 4.1286 4.1286 4.1384 4.1384 4.3766 4.3766 4.3916 4.3916 5.4277 5.4277 5.4433 5.4433 6.0008 6.0008 6.0129 6.0129 6.0811 6.0811 6.0982 6.0982 6.2878 6.2878 6.2903 6.2903 7.7659 7.7659 7.7981 7.7981 8.2109 8.2109 8.2556 8.2556 9.9399 9.9399 9.9454 9.9454 13.3000 13.3000 13.3068 13.3068 k = 0.5000 0.0782-0.0000 ( 3402 PWs) bands (ev): -5.4626 -5.4626 -5.4625 -5.4625 -2.8508 -2.8508 -2.8485 -2.8485 2.5682 2.5682 2.5713 2.5713 3.4784 3.4784 3.4962 3.4962 4.1717 4.1717 4.1785 4.1785 4.3632 4.3632 4.3819 4.3819 5.4424 5.4424 5.4601 5.4601 5.9987 5.9987 6.0113 6.0113 6.0756 6.0756 6.0972 6.0972 6.2615 6.2615 6.2622 6.2622 7.7414 7.7414 7.7759 7.7759 8.2216 8.2216 8.2695 8.2695 9.9818 9.9818 9.9876 9.9876 13.3696 13.3696 13.3775 13.3775 k = 0.5000 0.0893-0.0000 ( 3398 PWs) bands (ev): -5.4536 -5.4536 -5.4535 -5.4535 -2.8660 -2.8660 -2.8634 -2.8634 2.5819 2.5819 2.5855 2.5855 3.4398 3.4398 3.4575 3.4575 4.2105 4.2105 4.2129 4.2129 4.3499 4.3499 4.3735 4.3735 5.4589 5.4589 5.4785 5.4785 5.9963 5.9963 6.0077 6.0077 6.0685 6.0685 6.0950 6.0950 6.2299 6.2299 6.2361 6.2361 7.7161 7.7161 7.7520 7.7520 8.2360 8.2360 8.2860 8.2860 10.0278 10.0278 10.0337 10.0337 13.4482 13.4482 13.4570 13.4570 k = 0.5000 0.1005-0.0000 ( 3396 PWs) bands (ev): -5.4436 -5.4436 -5.4435 -5.4435 -2.8829 -2.8829 -2.8800 -2.8800 2.5973 2.5973 2.6012 2.6012 3.4040 3.4040 3.4216 3.4216 4.2377 4.2377 4.2410 4.2410 4.3403 4.3403 4.3697 4.3697 5.4769 5.4769 5.4979 5.4979 5.9936 5.9936 6.0002 6.0002 6.0602 6.0602 6.0903 6.0903 6.1972 6.1972 6.2114 6.2114 7.6903 7.6903 7.7272 7.7272 8.2544 8.2544 8.3056 8.3056 10.0772 10.0772 10.0829 10.0829 13.5349 13.5349 13.5446 13.5446 k = 0.5000 0.1117-0.0000 ( 3388 PWs) bands (ev): -5.4326 -5.4326 -5.4325 -5.4325 -2.9014 -2.9014 -2.8982 -2.8982 2.6143 2.6143 2.6185 2.6185 3.3714 3.3714 3.3887 3.3887 4.2484 4.2484 4.2546 4.2546 4.3429 4.3429 4.3753 4.3753 5.4958 5.4958 5.5177 5.5177 5.9854 5.9854 5.9903 5.9903 6.0522 6.0522 6.0805 6.0805 6.1672 6.1672 6.1903 6.1903 7.6648 7.6648 7.7020 7.7020 8.2772 8.2772 8.3288 8.3288 10.1291 10.1291 10.1345 10.1345 13.6290 13.6290 13.6397 13.6397 k = 0.5000 0.1228-0.0000 ( 3384 PWs) bands (ev): -5.4206 -5.4206 -5.4205 -5.4205 -2.9214 -2.9214 -2.9179 -2.9179 2.6326 2.6326 2.6372 2.6372 3.3422 3.3422 3.3591 3.3591 4.2439 4.2439 4.2476 4.2476 4.3614 4.3614 4.3910 4.3910 5.5150 5.5150 5.5371 5.5371 5.9606 5.9606 5.9857 5.9857 6.0465 6.0465 6.0612 6.0612 6.1455 6.1455 6.1740 6.1740 7.6400 7.6400 7.6770 7.6770 8.3047 8.3047 8.3561 8.3561 10.1826 10.1826 10.1876 10.1876 13.7298 13.7298 13.7413 13.7413 k = 0.5000 0.1340-0.0000 ( 3392 PWs) bands (ev): -5.4077 -5.4077 -5.4076 -5.4076 -2.9428 -2.9428 -2.9391 -2.9391 2.6523 2.6523 2.6571 2.6571 3.3165 3.3165 3.3330 3.3330 4.2287 4.2287 4.2289 4.2289 4.3869 4.3869 4.4123 4.4123 5.5337 5.5337 5.5548 5.5548 5.9261 5.9261 5.9775 5.9775 6.0340 6.0340 6.0434 6.0434 6.1338 6.1338 6.1624 6.1624 7.6162 7.6162 7.6526 7.6526 8.3374 8.3374 8.3879 8.3879 10.2369 10.2369 10.2413 10.2413 13.8363 13.8363 13.8487 13.8487 k = 0.5000 0.1452-0.0000 ( 3396 PWs) bands (ev): -5.3939 -5.3939 -5.3938 -5.3938 -2.9654 -2.9654 -2.9614 -2.9614 2.6731 2.6731 2.6781 2.6781 3.2945 3.2945 3.3105 3.3105 4.2046 4.2046 4.2077 4.2077 4.4133 4.4133 4.4352 4.4352 5.5507 5.5507 5.5693 5.5693 5.8848 5.8848 5.9595 5.9595 6.0104 6.0104 6.0420 6.0420 6.1284 6.1284 6.1546 6.1546 7.5939 7.5939 7.6292 7.6292 8.3754 8.3754 8.4247 8.4247 10.2911 10.2911 10.2950 10.2950 13.9477 13.9477 13.9610 13.9610 k = 0.5000 0.1563-0.0000 ( 3396 PWs) bands (ev): -5.3794 -5.3794 -5.3793 -5.3793 -2.9891 -2.9891 -2.9849 -2.9849 2.6950 2.6950 2.7001 2.7001 3.2765 3.2765 3.2918 3.2918 4.1774 4.1774 4.1826 4.1826 4.4385 4.4385 4.4576 4.4576 5.5642 5.5642 5.5781 5.5781 5.8400 5.8400 5.9296 5.9296 5.9982 5.9982 6.0416 6.0416 6.1260 6.1260 6.1496 6.1496 7.5732 7.5732 7.6072 7.6072 8.4191 8.4191 8.4668 8.4668 10.3445 10.3445 10.3477 10.3477 14.0631 14.0631 14.0772 14.0772 k = 0.5000 0.1675-0.0000 ( 3396 PWs) bands (ev): -5.3643 -5.3643 -5.3642 -5.3642 -3.0137 -3.0137 -3.0093 -3.0093 2.7176 2.7176 2.7227 2.7227 3.2624 3.2624 3.2769 3.2769 4.1482 4.1482 4.1549 4.1549 4.4618 4.4618 4.4786 4.4786 5.5712 5.5712 5.5780 5.5780 5.7960 5.7960 5.8978 5.8978 5.9921 5.9921 6.0419 6.0419 6.1251 6.1251 6.1467 6.1467 7.5544 7.5544 7.5868 7.5868 8.4686 8.4686 8.5144 8.5144 10.3963 10.3963 10.3987 10.3987 14.1813 14.1813 14.1964 14.1964 k = 0.5000 0.1787-0.0000 ( 3388 PWs) bands (ev): -5.3485 -5.3485 -5.3484 -5.3484 -3.0391 -3.0391 -3.0345 -3.0345 2.7409 2.7409 2.7459 2.7459 3.2523 3.2523 3.2659 3.2659 4.1175 4.1175 4.1253 4.1253 4.4831 4.4831 4.4979 4.4979 5.5657 5.5657 5.5664 5.5664 5.7589 5.7589 5.8722 5.8722 5.9881 5.9881 6.0426 6.0426 6.1250 6.1250 6.1451 6.1451 7.5375 7.5375 7.5680 7.5680 8.5240 8.5240 8.5678 8.5678 10.4455 10.4455 10.4471 10.4471 14.3012 14.3012 14.3174 14.3174 k = 0.5000 0.1899-0.0000 ( 3392 PWs) bands (ev): -5.3323 -5.3323 -5.3322 -5.3322 -3.0651 -3.0651 -3.0602 -3.0602 2.7646 2.7646 2.7693 2.7693 3.2463 3.2463 3.2588 3.2588 4.0856 4.0856 4.0943 4.0943 4.5023 4.5023 4.5153 4.5153 5.5390 5.5390 5.5435 5.5435 5.7355 5.7355 5.8566 5.8566 5.9849 5.9849 6.0434 6.0434 6.1254 6.1254 6.1444 6.1444 7.5224 7.5224 7.5509 7.5509 8.5852 8.5852 8.6268 8.6268 10.4914 10.4914 10.4922 10.4922 14.4216 14.4216 14.4389 14.4389 k = 0.5000 0.2010-0.0000 ( 3384 PWs) bands (ev): -5.3157 -5.3157 -5.3156 -5.3156 -3.0914 -3.0914 -3.0863 -3.0863 2.7886 2.7886 2.7929 2.7929 3.2444 3.2444 3.2555 3.2555 4.0530 4.0530 4.0624 4.0624 4.5195 4.5195 4.5308 4.5308 5.4991 5.4991 5.5022 5.5022 5.7267 5.7267 5.8505 5.8505 5.9822 5.9822 6.0445 6.0445 6.1261 6.1261 6.1446 6.1446 7.5093 7.5093 7.5357 7.5357 8.6521 8.6521 8.6915 8.6915 10.5331 10.5331 10.5332 10.5332 14.5408 14.5408 14.5594 14.5594 k = 0.5000 0.2122-0.0000 ( 3384 PWs) bands (ev): -5.2989 -5.2989 -5.2989 -5.2989 -3.1178 -3.1178 -3.1126 -3.1126 2.8127 2.8127 2.8165 2.8165 3.2462 3.2462 3.2559 3.2559 4.0201 4.0201 4.0301 4.0301 4.5349 4.5349 4.5447 4.5447 5.4483 5.4483 5.4492 5.4492 5.7271 5.7271 5.8513 5.8513 5.9797 5.9797 6.0457 6.0457 6.1270 6.1270 6.1452 6.1452 7.4979 7.4979 7.5221 7.5221 8.7247 8.7247 8.7618 8.7618 10.5690 10.5690 10.5701 10.5701 14.6572 14.6572 14.6770 14.6770 k = 0.5000 0.2234-0.0000 ( 3384 PWs) bands (ev): -5.2821 -5.2821 -5.2820 -5.2820 -3.1442 -3.1442 -3.1388 -3.1388 2.8369 2.8369 2.8400 2.8400 3.2514 3.2514 3.2596 3.2596 3.9872 3.9872 3.9979 3.9979 4.5487 4.5487 4.5570 4.5570 5.3876 5.3876 5.3926 5.3926 5.7316 5.7316 5.8561 5.8561 5.9776 5.9776 6.0468 6.0468 6.1281 6.1281 6.1462 6.1462 7.4882 7.4882 7.5101 7.5101 8.8025 8.8025 8.8374 8.8374 10.5993 10.5993 10.6013 10.6013 14.7684 14.7684 14.7898 14.7898 k = 0.5000 0.2345-0.0000 ( 3384 PWs) bands (ev): -5.2652 -5.2652 -5.2651 -5.2651 -3.1703 -3.1703 -3.1648 -3.1648 2.8609 2.8609 2.8632 2.8632 3.2597 3.2597 3.2661 3.2661 3.9549 3.9549 3.9663 3.9663 4.5610 4.5610 4.5678 4.5678 5.3234 5.3234 5.3318 5.3318 5.7374 5.7374 5.8628 5.8628 5.9756 5.9756 6.0480 6.0480 6.1292 6.1292 6.1474 6.1474 7.4799 7.4799 7.4996 7.4996 8.8852 8.8852 8.9179 8.9179 10.6231 10.6231 10.6261 10.6261 14.8721 14.8721 14.8950 14.8950 k = 0.5000 0.2457-0.0000 ( 3388 PWs) bands (ev): -5.2486 -5.2486 -5.2485 -5.2485 -3.1959 -3.1959 -3.1902 -3.1902 2.8850 2.8850 2.8864 2.8864 3.2701 3.2701 3.2748 3.2748 3.9239 3.9239 3.9360 3.9360 4.5719 4.5719 4.5772 4.5772 5.2575 5.2575 5.2688 5.2688 5.7434 5.7434 5.8700 5.8700 5.9738 5.9738 6.0491 6.0491 6.1304 6.1304 6.1488 6.1488 7.4729 7.4729 7.4905 7.4905 8.9723 8.9723 9.0029 9.0029 10.6397 10.6397 10.6438 10.6438 14.9653 14.9653 14.9897 14.9897 k = 0.5000 0.2569-0.0000 ( 3384 PWs) bands (ev): -5.2323 -5.2323 -5.2323 -5.2323 -3.2206 -3.2206 -3.2148 -3.2148 2.9090 2.9090 2.9094 2.9094 3.2819 3.2819 3.2849 3.2849 3.8947 3.8947 3.9077 3.9077 4.5816 4.5816 4.5855 4.5855 5.1911 5.1911 5.2049 5.2049 5.7489 5.7489 5.8771 5.8771 5.9724 5.9724 6.0502 6.0502 6.1316 6.1316 6.1502 6.1502 7.4671 7.4671 7.4827 7.4827 9.0633 9.0633 9.0918 9.0918 10.6487 10.6487 10.6539 10.6539 15.0453 15.0453 15.0710 15.0710 k = 0.5000 0.2680-0.0000 ( 3388 PWs) bands (ev): -5.2166 -5.2166 -5.2166 -5.2166 -3.2444 -3.2444 -3.2385 -3.2385 2.9325 2.9325 2.9330 2.9330 3.2938 3.2938 3.2952 3.2952 3.8681 3.8681 3.8823 3.8823 4.5903 4.5903 4.5925 4.5925 5.1253 5.1253 5.1411 5.1411 5.7538 5.7538 5.8837 5.8837 5.9711 5.9711 6.0511 6.0511 6.1327 6.1327 6.1516 6.1516 7.4623 7.4623 7.4760 7.4760 9.1575 9.1575 9.1841 9.1841 10.6494 10.6494 10.6558 10.6558 15.1098 15.1098 15.1362 15.1362 k = 0.5000 0.2792-0.0000 ( 3392 PWs) bands (ev): -5.2017 -5.2017 -5.2016 -5.2016 -3.2669 -3.2669 -3.2609 -3.2609 2.9557 2.9557 2.9572 2.9572 3.3044 3.3044 3.3044 3.3044 3.8451 3.8451 3.8608 3.8608 4.5980 4.5980 4.5985 4.5985 5.0609 5.0609 5.0783 5.0783 5.7579 5.7579 5.8894 5.8894 5.9702 5.9702 6.0520 6.0520 6.1338 6.1338 6.1530 6.1530 7.4584 7.4584 7.4704 7.4704 9.2544 9.2544 9.2789 9.2789 10.6415 10.6415 10.6491 10.6491 15.1578 15.1578 15.1843 15.1843 k = 0.5000 0.2904-0.0000 ( 3400 PWs) bands (ev): -5.1876 -5.1876 -5.1875 -5.1875 -3.2879 -3.2879 -3.2818 -3.2818 2.9792 2.9792 2.9816 2.9816 3.3113 3.3113 3.3125 3.3125 3.8265 3.8265 3.8441 3.8441 4.6035 4.6035 4.6050 4.6050 4.9988 4.9988 5.0174 5.0174 5.7614 5.7614 5.8942 5.8942 5.9694 5.9694 6.0528 6.0528 6.1348 6.1348 6.1542 6.1542 7.4552 7.4552 7.4656 7.4656 9.3530 9.3530 9.3757 9.3757 10.6248 10.6248 10.6337 10.6337 15.1905 15.1905 15.2162 15.2162 k = 0.5000 0.3015-0.0000 ( 3400 PWs) bands (ev): -5.1747 -5.1747 -5.1746 -5.1746 -3.3071 -3.3071 -3.3009 -3.3009 3.0030 3.0030 3.0062 3.0062 3.3146 3.3146 3.3167 3.3167 3.8130 3.8130 3.8328 3.8328 4.6075 4.6075 4.6115 4.6115 4.9398 4.9398 4.9592 4.9592 5.7642 5.7642 5.8983 5.8983 5.9689 5.9689 6.0535 6.0535 6.1357 6.1357 6.1553 6.1553 7.4526 7.4526 7.4617 7.4617 9.4527 9.4527 9.4734 9.4734 10.5992 10.5992 10.6096 10.6096 15.2104 15.2104 15.2350 15.2350 k = 0.5000 0.3127-0.0000 ( 3394 PWs) bands (ev): -5.1630 -5.1630 -5.1629 -5.1629 -3.3243 -3.3243 -3.3180 -3.3180 3.0270 3.0270 3.0311 3.0311 3.3134 3.3134 3.3162 3.3162 3.8048 3.8048 3.8273 3.8273 4.6105 4.6105 4.6176 4.6176 4.8851 4.8851 4.9047 4.9047 5.7665 5.7665 5.9015 5.9015 5.9686 5.9686 6.0541 6.0541 6.1365 6.1365 6.1563 6.1563 7.4505 7.4505 7.4584 7.4584 9.5523 9.5523 9.5712 9.5712 10.5651 10.5651 10.5770 10.5770 15.2212 15.2212 15.2444 15.2444 k = 0.5000 0.3239-0.0000 ( 3394 PWs) bands (ev): -5.1528 -5.1528 -5.1526 -5.1526 -3.3393 -3.3393 -3.3329 -3.3329 3.0511 3.0511 3.0562 3.0562 3.3073 3.3073 3.3107 3.3107 3.8016 3.8016 3.8269 3.8269 4.6125 4.6125 4.6235 4.6235 4.8358 4.8358 4.8545 4.8545 5.7683 5.7683 5.9040 5.9040 5.9685 5.9685 6.0546 6.0546 6.1372 6.1372 6.1572 6.1572 7.4489 7.4489 7.4558 7.4558 9.6509 9.6509 9.6677 9.6677 10.5229 10.5229 10.5365 10.5365 15.2262 15.2262 15.2479 15.2479 k = 0.5000 0.3350-0.0000 ( 3398 PWs) bands (ev): -5.1442 -5.1442 -5.1440 -5.1440 -3.3519 -3.3519 -3.3455 -3.3455 3.0749 3.0749 3.0810 3.0810 3.2968 3.2968 3.3008 3.3008 3.8024 3.8024 3.8306 3.8306 4.6133 4.6133 4.6296 4.6296 4.7932 4.7932 4.8098 4.8098 5.7696 5.7696 5.9059 5.9059 5.9685 5.9685 6.0550 6.0550 6.1378 6.1378 6.1579 6.1579 7.4477 7.4477 7.4538 7.4538 9.7468 9.7468 9.7614 9.7614 10.4736 10.4736 10.4891 10.4891 15.2280 15.2280 15.2484 15.2484 k = 0.5000 0.3462-0.0000 ( 3394 PWs) bands (ev): -5.1373 -5.1373 -5.1372 -5.1372 -3.3618 -3.3618 -3.3554 -3.3554 3.0976 3.0976 3.1051 3.1051 3.2829 3.2829 3.2878 3.2878 3.8056 3.8056 3.8365 3.8365 4.6130 4.6130 4.6361 4.6361 4.7589 4.7589 4.7714 4.7714 5.7706 5.7706 5.9073 5.9073 5.9685 5.9685 6.0554 6.0554 6.1382 6.1382 6.1584 6.1584 7.4468 7.4468 7.4522 7.4522 9.8380 9.8380 9.8499 9.8499 10.4190 10.4190 10.4370 10.4370 15.2284 15.2284 15.2476 15.2476 k = 0.5000 0.3574-0.0000 ( 3396 PWs) bands (ev): -5.1324 -5.1324 -5.1322 -5.1322 -3.3691 -3.3691 -3.3626 -3.3626 3.1179 3.1179 3.1270 3.1270 3.2675 3.2675 3.2738 3.2738 3.8095 3.8095 3.8427 3.8427 4.6117 4.6117 4.6431 4.6431 4.7341 4.7341 4.7404 4.7404 5.7713 5.7713 5.9082 5.9082 5.9685 5.9685 6.0556 6.0556 6.1385 6.1385 6.1588 6.1588 7.4462 7.4462 7.4512 7.4512 9.9204 9.9204 9.9291 9.9291 10.3630 10.3630 10.3841 10.3841 15.2283 15.2283 15.2466 15.2466 k = 0.5000 0.3685-0.0000 ( 3392 PWs) bands (ev): -5.1293 -5.1293 -5.1291 -5.1291 -3.3735 -3.3735 -3.3669 -3.3669 3.1331 3.1331 3.1441 3.1441 3.2541 3.2541 3.2622 3.2622 3.8126 3.8126 3.8473 3.8473 4.6102 4.6102 4.6499 4.6499 4.7188 4.7188 4.7193 4.7193 5.7717 5.7717 5.9087 5.9087 5.9686 5.9686 6.0557 6.0557 6.1387 6.1387 6.1590 6.1590 7.4458 7.4458 7.4506 7.4506 9.9848 9.9848 9.9897 9.9897 10.3143 10.3143 10.3393 10.3393 15.2282 15.2282 15.2459 15.2459 k = 0.5000 0.3797-0.0000 ( 3392 PWs) bands (ev): -5.1283 -5.1283 -5.1281 -5.1281 -3.3749 -3.3749 -3.3684 -3.3684 3.1390 3.1390 3.1511 3.1511 3.2483 3.2483 3.2574 3.2574 3.8138 3.8138 3.8490 3.8490 4.6095 4.6095 4.6532 4.6532 4.7104 4.7104 4.7144 4.7144 5.7718 5.7718 5.9089 5.9089 5.9686 5.9686 6.0558 6.0558 6.1388 6.1388 6.1591 6.1591 7.4457 7.4457 7.4503 7.4503 10.0116 10.0116 10.0142 10.0142 10.2928 10.2928 10.3200 10.3200 15.2281 15.2281 15.2457 15.2457 k = 0.5000 0.3797-0.0000 ( 3392 PWs) bands (ev): -5.1283 -5.1283 -5.1281 -5.1281 -3.3749 -3.3749 -3.3684 -3.3684 3.1390 3.1390 3.1511 3.1511 3.2483 3.2483 3.2574 3.2574 3.8138 3.8138 3.8490 3.8490 4.6095 4.6095 4.6532 4.6532 4.7104 4.7104 4.7144 4.7144 5.7718 5.7718 5.9089 5.9089 5.9686 5.9686 6.0558 6.0558 6.1388 6.1388 6.1591 6.1591 7.4457 7.4457 7.4503 7.4503 10.0116 10.0116 10.0142 10.0142 10.2928 10.2928 10.3200 10.3200 15.2281 15.2281 15.2457 15.2457 k = 0.4889 0.3797-0.0000 ( 3388 PWs) bands (ev): -5.1291 -5.1291 -5.1289 -5.1289 -3.3754 -3.3754 -3.3688 -3.3688 3.1339 3.1339 3.1457 3.1457 3.2538 3.2538 3.2631 3.2631 3.8136 3.8136 3.8486 3.8486 4.6027 4.6027 4.6421 4.6421 4.7215 4.7215 4.7299 4.7299 5.7721 5.7721 5.9092 5.9092 5.9688 5.9688 6.0560 6.0560 6.1394 6.1394 6.1597 6.1597 7.4456 7.4456 7.4502 7.4502 10.0081 10.0081 10.0105 10.0105 10.2958 10.2958 10.3227 10.3227 15.2265 15.2265 15.2440 15.2440 k = 0.4778 0.3797-0.0000 ( 3388 PWs) bands (ev): -5.1315 -5.1315 -5.1313 -5.1313 -3.3767 -3.3767 -3.3702 -3.3702 3.1205 3.1205 3.1318 3.1318 3.2681 3.2681 3.2778 3.2778 3.8131 3.8131 3.8478 3.8478 4.5882 4.5882 4.6227 4.6227 4.7488 4.7488 4.7624 4.7624 5.7726 5.7726 5.9099 5.9099 5.9693 5.9693 6.0565 6.0565 6.1411 6.1411 6.1613 6.1613 7.4453 7.4453 7.4498 7.4498 9.9981 9.9981 9.9998 9.9998 10.3040 10.3040 10.3303 10.3303 15.2217 15.2217 15.2391 15.2391 k = 0.4667 0.3797-0.0000 ( 3388 PWs) bands (ev): -5.1355 -5.1355 -5.1353 -5.1353 -3.3789 -3.3789 -3.3724 -3.3724 3.1020 3.1020 3.1126 3.1126 3.2882 3.2882 3.2983 3.2983 3.8125 3.8125 3.8467 3.8467 4.5728 4.5728 4.6046 4.6046 4.7849 4.7849 4.8018 4.8018 5.7736 5.7736 5.9112 5.9112 5.9702 5.9702 6.0574 6.0574 6.1440 6.1440 6.1641 6.1641 7.4446 7.4446 7.4492 7.4492 9.9824 9.9824 9.9833 9.9833 10.3164 10.3164 10.3418 10.3418 15.2141 15.2141 15.2312 15.2312 k = 0.4556 0.3797-0.0000 ( 3388 PWs) bands (ev): -5.1410 -5.1410 -5.1408 -5.1408 -3.3820 -3.3820 -3.3755 -3.3755 3.0801 3.0801 3.0900 3.0900 3.3121 3.3121 3.3225 3.3225 3.8125 3.8125 3.8460 3.8460 4.5596 4.5596 4.5898 4.5898 4.8265 4.8265 4.8456 4.8456 5.7750 5.7750 5.9127 5.9127 5.9715 5.9715 6.0586 6.0586 6.1481 6.1481 6.1682 6.1682 7.4438 7.4438 7.4483 7.4483 9.9623 9.9623 9.9625 9.9625 10.3317 10.3317 10.3561 10.3561 15.2041 15.2041 15.2210 15.2210 k = 0.4444 0.3797-0.0000 ( 3388 PWs) bands (ev): -5.1480 -5.1480 -5.1478 -5.1478 -3.3859 -3.3859 -3.3795 -3.3795 3.0556 3.0556 3.0648 3.0648 3.3389 3.3389 3.3496 3.3496 3.8134 3.8134 3.8461 3.8461 4.5494 4.5494 4.5787 4.5787 4.8720 4.8720 4.8927 4.8927 5.7768 5.7768 5.9145 5.9145 5.9734 5.9734 6.0599 6.0599 6.1538 6.1538 6.1737 6.1737 7.4428 7.4428 7.4472 7.4472 9.9384 9.9384 9.9390 9.9390 10.3485 10.3485 10.3722 10.3722 15.1922 15.1922 15.2089 15.2089 k = 0.4333 0.3797-0.0000 ( 3388 PWs) bands (ev): -5.1564 -5.1564 -5.1562 -5.1562 -3.3907 -3.3907 -3.3843 -3.3843 3.0286 3.0286 3.0371 3.0371 3.3682 3.3682 3.3792 3.3792 3.8161 3.8161 3.8479 3.8479 4.5424 4.5424 4.5712 4.5712 4.9203 4.9203 4.9423 4.9423 5.7790 5.7790 5.9164 5.9164 5.9758 5.9758 6.0615 6.0615 6.1610 6.1610 6.1808 6.1808 7.4416 7.4416 7.4459 7.4459 9.9122 9.9122 9.9133 9.9133 10.3661 10.3661 10.3890 10.3890 15.1790 15.1790 15.1955 15.1955 k = 0.4222 0.3797-0.0000 ( 3392 PWs) bands (ev): -5.1662 -5.1662 -5.1661 -5.1661 -3.3963 -3.3963 -3.3900 -3.3900 2.9994 2.9994 3.0071 3.0071 3.3998 3.3998 3.4111 3.4111 3.8210 3.8210 3.8520 3.8520 4.5386 4.5386 4.5670 4.5670 4.9707 4.9707 4.9938 4.9938 5.7817 5.7817 5.9182 5.9182 5.9790 5.9790 6.0632 6.0632 6.1700 6.1700 6.1897 6.1897 7.4403 7.4403 7.4445 7.4445 9.8845 9.8845 9.8859 9.8859 10.3836 10.3836 10.4061 10.4061 15.1649 15.1649 15.1813 15.1813 k = 0.4111 0.3797-0.0000 ( 3382 PWs) bands (ev): -5.1774 -5.1774 -5.1772 -5.1772 -3.4027 -3.4027 -3.3964 -3.3964 2.9680 2.9680 2.9749 2.9749 3.4334 3.4334 3.4450 3.4450 3.8288 3.8288 3.8589 3.8589 4.5378 4.5378 4.5660 4.5660 5.0226 5.0226 5.0466 5.0466 5.7850 5.7850 5.9197 5.9197 5.9831 5.9831 6.0651 6.0651 6.1811 6.1811 6.2007 6.2007 7.4389 7.4389 7.4432 7.4432 9.8559 9.8559 9.8575 9.8575 10.4008 10.4008 10.4227 10.4227 15.1505 15.1505 15.1669 15.1669 k = 0.4000 0.3797-0.0000 ( 3378 PWs) bands (ev): -5.1897 -5.1897 -5.1896 -5.1896 -3.4098 -3.4098 -3.4036 -3.4036 2.9345 2.9345 2.9405 2.9405 3.4688 3.4688 3.4807 3.4807 3.8400 3.8400 3.8693 3.8693 4.5396 4.5396 4.5676 4.5676 5.0751 5.0751 5.0998 5.0998 5.7888 5.7888 5.9210 5.9210 5.9880 5.9880 6.0671 6.0671 6.1945 6.1945 6.2140 6.2140 7.4375 7.4375 7.4418 7.4418 9.8267 9.8267 9.8285 9.8285 10.4171 10.4171 10.4387 10.4387 15.1362 15.1362 15.1525 15.1525 k = 0.3889 0.3797-0.0000 ( 3370 PWs) bands (ev): -5.2032 -5.2032 -5.2031 -5.2031 -3.4177 -3.4177 -3.4116 -3.4116 2.8990 2.8990 2.9042 2.9042 3.5055 3.5055 3.5178 3.5178 3.8552 3.8552 3.8837 3.8837 4.5437 4.5437 4.5716 4.5716 5.1278 5.1278 5.1530 5.1530 5.7932 5.7932 5.9219 5.9219 5.9939 5.9939 6.0693 6.0693 6.2105 6.2105 6.2297 6.2297 7.4362 7.4362 7.4405 7.4405 9.7973 9.7973 9.7992 9.7992 10.4323 10.4323 10.4536 10.4536 15.1222 15.1222 15.1386 15.1386 k = 0.3778 0.3797-0.0000 ( 3370 PWs) bands (ev): -5.2178 -5.2178 -5.2177 -5.2177 -3.4263 -3.4263 -3.4202 -3.4202 2.8617 2.8617 2.8662 2.8662 3.5433 3.5433 3.5557 3.5557 3.8747 3.8747 3.9026 3.9026 4.5500 4.5500 4.5776 4.5776 5.1800 5.1800 5.2053 5.2053 5.7983 5.7983 5.9224 5.9224 6.0007 6.0007 6.0719 6.0719 6.2292 6.2292 6.2482 6.2482 7.4350 7.4350 7.4395 7.4395 9.7680 9.7680 9.7699 9.7699 10.4462 10.4462 10.4673 10.4673 15.1088 15.1088 15.1254 15.1254 k = 0.3667 0.3797-0.0000 ( 3374 PWs) bands (ev): -5.2334 -5.2334 -5.2332 -5.2332 -3.4355 -3.4355 -3.4295 -3.4295 2.8230 2.8230 2.8268 2.8268 3.5814 3.5814 3.5940 3.5940 3.8992 3.8992 3.9264 3.9264 4.5581 4.5581 4.5853 4.5853 5.2310 5.2310 5.2561 5.2561 5.8040 5.8040 5.9226 5.9226 6.0084 6.0084 6.0748 6.0748 6.2508 6.2508 6.2695 6.2695 7.4341 7.4341 7.4388 7.4388 9.7391 9.7391 9.7408 9.7408 10.4587 10.4587 10.4796 10.4796 15.0963 15.0963 15.1131 15.1131 k = 0.3556 0.3797-0.0000 ( 3374 PWs) bands (ev): -5.2498 -5.2498 -5.2497 -5.2497 -3.4453 -3.4453 -3.4394 -3.4394 2.7831 2.7831 2.7862 2.7862 3.6195 3.6195 3.6320 3.6320 3.9290 3.9290 3.9555 3.9555 4.5678 4.5678 4.5945 4.5945 5.2803 5.2803 5.3047 5.3047 5.8106 5.8106 5.9226 5.9226 6.0171 6.0171 6.0783 6.0783 6.2756 6.2756 6.2941 6.2941 7.4337 7.4337 7.4387 7.4387 9.7106 9.7106 9.7121 9.7121 10.4697 10.4697 10.4904 10.4904 15.0847 15.0847 15.1018 15.1018 k = 0.3444 0.3797-0.0000 ( 3366 PWs) bands (ev): -5.2669 -5.2669 -5.2668 -5.2668 -3.4557 -3.4557 -3.4499 -3.4499 2.7422 2.7422 2.7447 2.7447 3.6571 3.6571 3.6692 3.6692 3.9644 3.9644 3.9902 3.9902 4.5789 4.5789 4.6049 4.6049 5.3271 5.3271 5.3503 5.3503 5.8181 5.8181 5.9227 5.9227 6.0269 6.0269 6.0826 6.0826 6.3037 6.3037 6.3220 6.3220 7.4339 7.4339 7.4393 7.4393 9.6827 9.6827 9.6841 9.6841 10.4789 10.4789 10.4995 10.4995 15.0742 15.0742 15.0916 15.0916 k = 0.3333 0.3797-0.0000 ( 3372 PWs) bands (ev): -5.2847 -5.2847 -5.2846 -5.2846 -3.4666 -3.4666 -3.4609 -3.4609 2.7006 2.7006 2.7026 2.7026 3.6935 3.6935 3.7050 3.7050 4.0055 4.0055 4.0305 4.0305 4.5912 4.5912 4.6162 4.6162 5.3709 5.3709 5.3922 5.3922 5.8264 5.8264 5.9228 5.9228 6.0376 6.0376 6.0877 6.0877 6.3351 6.3351 6.3533 6.3533 7.4349 7.4349 7.4409 7.4409 9.6557 9.6557 9.6568 9.6568 10.4864 10.4864 10.5069 10.5069 15.0646 15.0646 15.0823 15.0823 k = 0.3222 0.3797-0.0000 ( 3364 PWs) bands (ev): -5.3031 -5.3031 -5.3030 -5.3030 -3.4779 -3.4779 -3.4723 -3.4723 2.6587 2.6587 2.6602 2.6602 3.7287 3.7287 3.7394 3.7394 4.0520 4.0520 4.0763 4.0763 4.6046 4.6046 4.6284 4.6284 5.4112 5.4112 5.4301 5.4301 5.8357 5.8357 5.9232 5.9232 6.0495 6.0495 6.0939 6.0939 6.3698 6.3698 6.3882 6.3882 7.4371 7.4371 7.4439 7.4439 9.6295 9.6295 9.6304 9.6304 10.4920 10.4920 10.5124 10.5124 15.0558 15.0558 15.0739 15.0739 k = 0.3111 0.3797-0.0000 ( 3364 PWs) bands (ev): -5.3218 -5.3218 -5.3218 -5.3218 -3.4896 -3.4896 -3.4842 -3.4842 2.6167 2.6167 2.6178 2.6178 3.7626 3.7626 3.7723 3.7723 4.1034 4.1034 4.1273 4.1273 4.6191 4.6191 4.6411 4.6411 5.4473 5.4473 5.4633 5.4633 5.8458 5.8458 5.9239 5.9239 6.0624 6.0624 6.1011 6.1011 6.4077 6.4077 6.4266 6.4266 7.4407 7.4407 7.4484 7.4484 9.6043 9.6043 9.6049 9.6049 10.4957 10.4957 10.5161 10.5161 15.0475 15.0475 15.0659 15.0659 k = 0.3000 0.3797-0.0000 ( 3354 PWs) bands (ev): -5.3410 -5.3410 -5.3409 -5.3409 -3.5016 -3.5016 -3.4963 -3.4963 2.5747 2.5747 2.5755 2.5755 3.7953 3.7953 3.8039 3.8039 4.1590 4.1590 4.1827 4.1827 4.6347 4.6347 4.6545 4.6545 5.4791 5.4791 5.4918 5.4918 5.8567 5.8567 5.9252 5.9252 6.0764 6.0764 6.1096 6.1096 6.4484 6.4484 6.4683 6.4683 7.4463 7.4463 7.4551 7.4551 9.5801 9.5801 9.5804 9.5804 10.4974 10.4974 10.5177 10.5177 15.0390 15.0390 15.0577 15.0577 k = 0.2889 0.3797-0.0000 ( 3354 PWs) bands (ev): -5.3603 -5.3603 -5.3603 -5.3603 -3.5139 -3.5139 -3.5087 -3.5087 2.5331 2.5331 2.5336 2.5336 3.8269 3.8269 3.8345 3.8345 4.2177 4.2177 4.2418 4.2418 4.6515 4.6515 4.6684 4.6684 5.5064 5.5064 5.5155 5.5155 5.8681 5.8681 5.9271 5.9271 6.0913 6.0913 6.1193 6.1193 6.4917 6.4917 6.5128 6.5128 7.4541 7.4541 7.4644 7.4644 9.5569 9.5569 9.5570 9.5570 10.4971 10.4971 10.5174 10.5174 15.0296 15.0296 15.0485 15.0485 k = 0.2778 0.3797-0.0000 ( 3354 PWs) bands (ev): -5.3798 -5.3798 -5.3798 -5.3798 -3.5264 -3.5264 -3.5214 -3.5214 2.4920 2.4920 2.4922 2.4922 3.8576 3.8576 3.8644 3.8644 4.2784 4.2784 4.3038 4.3038 4.6699 4.6699 4.6828 4.6828 5.5290 5.5290 5.5348 5.5348 5.8798 5.8798 5.9298 5.9298 6.1071 6.1071 6.1302 6.1302 6.5370 6.5370 6.5596 6.5596 7.4650 7.4650 7.4767 7.4767 9.5347 9.5347 9.5348 9.5348 10.4946 10.4946 10.5149 10.5149 15.0178 15.0178 15.0369 15.0369 k = 0.2667 0.3797-0.0000 ( 3362 PWs) bands (ev): -5.3994 -5.3994 -5.3993 -5.3993 -3.5390 -3.5390 -3.5341 -3.5341 2.4515 2.4515 2.4515 2.4515 3.8877 3.8877 3.8936 3.8936 4.3396 4.3396 4.3674 4.3674 4.6904 4.6904 4.6982 4.6982 5.5472 5.5472 5.5499 5.5499 5.8917 5.8917 5.9331 5.9331 6.1235 6.1235 6.1421 6.1421 6.5835 6.5835 6.6079 6.6079 7.4794 7.4794 7.4927 7.4927 9.5133 9.5133 9.5138 9.5138 10.4901 10.4901 10.5103 10.5103 15.0020 15.0020 15.0208 15.0208 k = 0.2556 0.3797-0.0000 ( 3362 PWs) bands (ev): -5.4189 -5.4189 -5.4188 -5.4188 -3.5517 -3.5517 -3.5470 -3.5470 2.4117 2.4117 2.4119 2.4119 3.9173 3.9173 3.9224 3.9224 4.3998 4.3998 4.4314 4.4314 4.7141 4.7141 4.7151 4.7151 5.5613 5.5613 5.5614 5.5614 5.9036 5.9036 5.9372 5.9372 6.1404 6.1404 6.1550 6.1550 6.6308 6.6308 6.6569 6.6569 7.4982 7.4982 7.5132 7.5132 9.4931 9.4931 9.4938 9.4938 10.4833 10.4833 10.5035 10.5035 14.9797 14.9797 14.9978 14.9978 k = 0.2444 0.3797-0.0000 ( 3364 PWs) bands (ev): -5.4382 -5.4382 -5.4381 -5.4381 -3.5644 -3.5644 -3.5598 -3.5598 2.3729 2.3729 2.3732 2.3732 3.9465 3.9465 3.9508 3.9508 4.4567 4.4567 4.4938 4.4938 4.7347 4.7347 4.7423 4.7423 5.5699 5.5699 5.5717 5.5717 5.9154 5.9154 5.9419 5.9419 6.1574 6.1574 6.1687 6.1687 6.6779 6.6779 6.7055 6.7055 7.5222 7.5222 7.5387 7.5387 9.4738 9.4738 9.4747 9.4747 10.4742 10.4742 10.4945 10.4945 14.9482 14.9482 14.9649 14.9649 k = 0.2333 0.3797-0.0000 ( 3368 PWs) bands (ev): -5.4573 -5.4573 -5.4572 -5.4572 -3.5770 -3.5770 -3.5726 -3.5726 2.3352 2.3352 2.3357 2.3357 3.9753 3.9753 3.9790 3.9790 4.5079 4.5079 4.5518 4.5518 4.7590 4.7590 4.7767 4.7767 5.5757 5.5757 5.5789 5.5789 5.9270 5.9270 5.9473 5.9473 6.1743 6.1743 6.1830 6.1830 6.7241 6.7241 6.7529 6.7529 7.5520 7.5520 7.5698 7.5698 9.4554 9.4554 9.4565 9.4565 10.4628 10.4628 10.4831 10.4831 14.9049 14.9049 14.9198 14.9198 k = 0.2222 0.3797-0.0000 ( 3364 PWs) bands (ev): -5.4760 -5.4760 -5.4759 -5.4759 -3.5895 -3.5895 -3.5853 -3.5853 2.2988 2.2988 2.2993 2.2993 4.0038 4.0038 4.0069 4.0069 4.5516 4.5516 4.6017 4.6017 4.7910 4.7910 4.8186 4.8186 5.5795 5.5795 5.5834 5.5834 5.9385 5.9385 5.9533 5.9533 6.1908 6.1908 6.1975 6.1975 6.7690 6.7690 6.7982 6.7982 7.5884 7.5884 7.6070 7.6070 9.4378 9.4378 9.4391 9.4391 10.4491 10.4491 10.4694 10.4694 14.8483 14.8483 14.8611 14.8611 k = 0.2111 0.3797-0.0000 ( 3368 PWs) bands (ev): -5.4943 -5.4943 -5.4943 -5.4943 -3.6018 -3.6018 -3.5978 -3.5978 2.2636 2.2636 2.2642 2.2642 4.0320 4.0320 4.0345 4.0345 4.5869 4.5869 4.6405 4.6405 4.8329 4.8329 4.8679 4.8679 5.5816 5.5816 5.5859 5.5859 5.9498 5.9498 5.9597 5.9597 6.2066 6.2066 6.2122 6.2122 6.8121 6.8121 6.8409 6.8409 7.6317 7.6317 7.6507 7.6507 9.4209 9.4209 9.4224 9.4224 10.4329 10.4329 10.4532 10.4532 14.7789 14.7789 14.7895 14.7895 k = 0.2000 0.3797-0.0000 ( 3366 PWs) bands (ev): -5.5122 -5.5122 -5.5121 -5.5121 -3.6139 -3.6139 -3.6101 -3.6101 2.2299 2.2299 2.2306 2.2306 4.0598 4.0598 4.0619 4.0619 4.6147 4.6147 4.6684 4.6684 4.8838 4.8838 4.9230 4.9230 5.5826 5.5826 5.5868 5.5868 5.9610 5.9610 5.9666 5.9666 6.2215 6.2215 6.2268 6.2268 6.8532 6.8532 6.8807 6.8807 7.6820 7.6820 7.7007 7.7007 9.4046 9.4046 9.4062 9.4062 10.4142 10.4142 10.4345 10.4345 14.6982 14.6982 14.7070 14.7070 k = 0.1889 0.3797-0.0000 ( 3376 PWs) bands (ev): -5.5295 -5.5295 -5.5294 -5.5294 -3.6257 -3.6257 -3.6221 -3.6221 2.1976 2.1976 2.1983 2.1983 4.0872 4.0872 4.0889 4.0889 4.6366 4.6366 4.6881 4.6881 4.9401 4.9401 4.9814 4.9814 5.5830 5.5830 5.5867 5.5867 5.9720 5.9720 5.9738 5.9738 6.2354 6.2354 6.2412 6.2412 6.8924 6.8924 6.9177 6.9177 7.7390 7.7390 7.7569 7.7569 9.3886 9.3886 9.3904 9.3904 10.3931 10.3931 10.4133 10.4133 14.6091 14.6091 14.6164 14.6164 k = 0.1778 0.3797-0.0000 ( 3384 PWs) bands (ev): -5.5461 -5.5461 -5.5461 -5.5461 -3.6371 -3.6371 -3.6337 -3.6337 2.1669 2.1669 2.1676 2.1676 4.1142 4.1142 4.1154 4.1154 4.6542 4.6542 4.7025 4.7025 4.9981 4.9981 5.0406 5.0406 5.5832 5.5832 5.5864 5.5864 5.9814 5.9814 5.9828 5.9828 6.2480 6.2480 6.2551 6.2551 6.9300 6.9300 6.9525 6.9525 7.8021 7.8021 7.8187 7.8187 9.3730 9.3730 9.3748 9.3748 10.3693 10.3693 10.3895 10.3895 14.5141 14.5141 14.5203 14.5203 k = 0.1667 0.3797-0.0000 ( 3384 PWs) bands (ev): -5.5621 -5.5621 -5.5620 -5.5620 -3.6481 -3.6481 -3.6449 -3.6449 2.1378 2.1378 2.1385 2.1385 4.1406 4.1406 4.1415 4.1415 4.6686 4.6686 4.7134 4.7134 5.0551 5.0551 5.0985 5.0985 5.5838 5.5838 5.5865 5.5865 5.9894 5.9894 5.9935 5.9935 6.2593 6.2593 6.2685 6.2685 6.9666 6.9666 6.9856 6.9856 7.8706 7.8706 7.8855 7.8855 9.3575 9.3575 9.3594 9.3594 10.3430 10.3430 10.3632 10.3632 14.4158 14.4158 14.4212 14.4212 k = 0.1556 0.3797-0.0000 ( 3376 PWs) bands (ev): -5.5773 -5.5773 -5.5772 -5.5772 -3.6586 -3.6586 -3.6556 -3.6556 2.1103 2.1103 2.1111 2.1111 4.1665 4.1665 4.1670 4.1670 4.6806 4.6806 4.7221 4.7221 5.1090 5.1090 5.1531 5.1531 5.5854 5.5854 5.5879 5.5879 5.9978 5.9978 6.0040 6.0040 6.2693 6.2693 6.2811 6.2811 7.0025 7.0025 7.0178 7.0178 7.9434 7.9434 7.9564 7.9564 9.3421 9.3421 9.3440 9.3440 10.3142 10.3142 10.3342 10.3342 14.3162 14.3162 14.3210 14.3210 k = 0.1444 0.3797-0.0000 ( 3372 PWs) bands (ev): -5.5917 -5.5917 -5.5916 -5.5916 -3.6687 -3.6687 -3.6658 -3.6658 2.0846 2.0846 2.0853 2.0853 4.1916 4.1916 4.1918 4.1918 4.6909 4.6909 4.7289 4.7289 5.1583 5.1583 5.2024 5.2024 5.5886 5.5886 5.5913 5.5913 6.0064 6.0064 6.0143 6.0143 6.2780 6.2780 6.2929 6.2929 7.0382 7.0382 7.0498 7.0498 8.0197 8.0197 8.0306 8.0306 9.3265 9.3265 9.3284 9.3284 10.2830 10.2830 10.3028 10.3028 14.2172 14.2172 14.2215 14.2215 k = 0.1333 0.3797-0.0000 ( 3376 PWs) bands (ev): -5.6053 -5.6053 -5.6052 -5.6052 -3.6781 -3.6781 -3.6755 -3.6755 2.0606 2.0606 2.0613 2.0613 4.2158 4.2158 4.2158 4.2158 4.6996 4.6996 4.7344 4.7344 5.2016 5.2016 5.2450 5.2450 5.5940 5.5940 5.5976 5.5976 6.0153 6.0153 6.0242 6.0242 6.2854 6.2854 6.3036 6.3036 7.0741 7.0741 7.0820 7.0820 8.0982 8.0982 8.1071 8.1071 9.3108 9.3108 9.3127 9.3127 10.2494 10.2494 10.2690 10.2690 14.1203 14.1203 14.1243 14.1243 k = 0.1222 0.3797-0.0000 ( 3370 PWs) bands (ev): -5.6179 -5.6179 -5.6178 -5.6178 -3.6870 -3.6870 -3.6845 -3.6845 2.0385 2.0385 2.0391 2.0391 4.2388 4.2388 4.2390 4.2390 4.7072 4.7072 4.7389 4.7389 5.2383 5.2383 5.2797 5.2797 5.6022 5.6022 5.6075 5.6075 6.0244 6.0244 6.0336 6.0336 6.2917 6.2917 6.3132 6.3132 7.1104 7.1104 7.1149 7.1149 8.1781 8.1781 8.1850 8.1850 9.2948 9.2948 9.2967 9.2967 10.2136 10.2136 10.2329 10.2329 14.0270 14.0270 14.0307 14.0307 k = 0.1111 0.3797-0.0000 ( 3376 PWs) bands (ev): -5.6296 -5.6296 -5.6295 -5.6295 -3.6952 -3.6952 -3.6930 -3.6930 2.0181 2.0181 2.0187 2.0187 4.2606 4.2606 4.2611 4.2611 4.7138 4.7138 4.7424 4.7424 5.2678 5.2678 5.3060 5.3060 5.6132 5.6132 5.6210 5.6210 6.0336 6.0336 6.0426 6.0426 6.2971 6.2971 6.3216 6.3216 7.1469 7.1469 7.1486 7.1486 8.2582 8.2582 8.2632 8.2632 9.2786 9.2786 9.2805 9.2805 10.1760 10.1760 10.1948 10.1948 13.9383 13.9383 13.9417 13.9417 k = 0.1000 0.3797-0.0000 ( 3384 PWs) bands (ev): -5.6403 -5.6403 -5.6402 -5.6402 -3.7027 -3.7027 -3.7007 -3.7007 1.9996 1.9996 2.0002 2.0002 4.2811 4.2811 4.2817 4.2817 4.7195 4.7195 4.7451 4.7451 5.2902 5.2902 5.3244 5.3244 5.6267 5.6267 5.6374 5.6374 6.0427 6.0427 6.0509 6.0509 6.3018 6.3018 6.3286 6.3286 7.1829 7.1829 7.1835 7.1835 8.3375 8.3375 8.3407 8.3407 9.2622 9.2622 9.2641 9.2641 10.1370 10.1370 10.1552 10.1552 13.8553 13.8553 13.8585 13.8585 k = 0.0889 0.3797-0.0000 ( 3384 PWs) bands (ev): -5.6499 -5.6499 -5.6499 -5.6499 -3.7095 -3.7095 -3.7077 -3.7077 1.9830 1.9830 1.9835 1.9835 4.3002 4.3002 4.3010 4.3010 4.7246 4.7246 4.7471 4.7471 5.3065 5.3065 5.3360 5.3360 5.6422 5.6422 5.6554 5.6554 6.0516 6.0516 6.0587 6.0587 6.3060 6.3060 6.3343 6.3343 7.2174 7.2174 7.2198 7.2198 8.4150 8.4150 8.4166 8.4166 9.2459 9.2459 9.2477 9.2477 10.0970 10.0970 10.1145 10.1145 13.7790 13.7790 13.7818 13.7818 k = 0.0778 0.3797-0.0000 ( 3388 PWs) bands (ev): -5.6585 -5.6585 -5.6585 -5.6585 -3.7156 -3.7156 -3.7140 -3.7140 1.9683 1.9683 1.9688 1.9688 4.3177 4.3177 4.3185 4.3185 4.7289 4.7289 4.7485 4.7485 5.3177 5.3177 5.3426 5.3426 5.6587 5.6587 5.6735 5.6735 6.0599 6.0599 6.0656 6.0656 6.3099 6.3099 6.3387 6.3387 7.2516 7.2516 7.2551 7.2551 8.4894 8.4894 8.4897 8.4897 9.2299 9.2299 9.2316 9.2316 10.0569 10.0569 10.0734 10.0734 13.7099 13.7099 13.7125 13.7125 k = 0.0667 0.3797-0.0000 ( 3392 PWs) bands (ev): -5.6660 -5.6660 -5.6660 -5.6660 -3.7209 -3.7209 -3.7195 -3.7195 1.9555 1.9555 1.9559 1.9559 4.3333 4.3333 4.3341 4.3341 4.7327 4.7327 4.7495 4.7495 5.3250 5.3250 5.3455 5.3455 5.6750 5.6750 5.6904 5.6904 6.0676 6.0676 6.0718 6.0718 6.3137 6.3137 6.3417 6.3417 7.2845 7.2845 7.2886 7.2886 8.5586 8.5586 8.5594 8.5594 9.2145 9.2145 9.2162 9.2162 10.0175 10.0175 10.0328 10.0328 13.6489 13.6489 13.6512 13.6512 k = 0.0556 0.3797-0.0000 ( 3388 PWs) bands (ev): -5.6724 -5.6724 -5.6724 -5.6724 -3.7254 -3.7254 -3.7242 -3.7242 1.9447 1.9447 1.9450 1.9450 4.3470 4.3470 4.3478 4.3478 4.7361 4.7361 4.7500 4.7500 5.3297 5.3297 5.3461 5.3461 5.6903 5.6903 5.7052 5.7052 6.0744 6.0744 6.0772 6.0772 6.3175 6.3175 6.3434 6.3434 7.3151 7.3151 7.3193 7.3193 8.6219 8.6219 8.6234 8.6234 9.2001 9.2001 9.2017 9.2017 9.9801 9.9801 9.9939 9.9939 13.5964 13.5964 13.5984 13.5984 k = 0.0444 0.3797-0.0000 ( 3390 PWs) bands (ev): -5.6777 -5.6777 -5.6776 -5.6776 -3.7291 -3.7291 -3.7282 -3.7282 1.9358 1.9358 1.9361 1.9361 4.3585 4.3585 4.3591 4.3591 4.7390 4.7390 4.7500 4.7500 5.3325 5.3325 5.3453 5.3453 5.7040 5.7040 5.7172 5.7172 6.0800 6.0800 6.0816 6.0816 6.3213 6.3213 6.3439 6.3439 7.3424 7.3424 7.3462 7.3462 8.6780 8.6780 8.6798 8.6798 9.1873 9.1873 9.1887 9.1887 9.9462 9.9462 9.9580 9.9580 13.5529 13.5529 13.5545 13.5545 k = 0.0333 0.3797-0.0000 ( 3378 PWs) bands (ev): -5.6818 -5.6818 -5.6817 -5.6817 -3.7319 -3.7319 -3.7312 -3.7312 1.9289 1.9289 1.9291 1.9291 4.3676 4.3676 4.3682 4.3682 4.7416 4.7416 4.7498 4.7498 5.3344 5.3344 5.3437 5.3437 5.7156 5.7156 5.7263 5.7263 6.0844 6.0844 6.0853 6.0853 6.3253 6.3253 6.3433 6.3433 7.3651 7.3651 7.3682 7.3682 8.7248 8.7248 8.7266 8.7266 9.1766 9.1766 9.1778 9.1778 9.9174 9.9174 9.9268 9.9268 13.5188 13.5188 13.5200 13.5200 k = 0.0222 0.3797-0.0000 ( 3378 PWs) bands (ev): -5.6847 -5.6847 -5.6847 -5.6847 -3.7339 -3.7339 -3.7335 -3.7335 1.9239 1.9239 1.9241 1.9241 4.3743 4.3743 4.3747 4.3747 4.7437 4.7437 4.7492 4.7492 5.3358 5.3358 5.3419 5.3419 5.7247 5.7247 5.7321 5.7321 6.0876 6.0876 6.0879 6.0879 6.3292 6.3292 6.3418 6.3418 7.3824 7.3824 7.3846 7.3846 8.7604 8.7604 8.7619 8.7619 9.1685 9.1685 9.1694 9.1694 9.8955 9.8955 9.9021 9.9021 13.4943 13.4943 13.4951 13.4951 k = 0.0111 0.3797-0.0000 ( 3386 PWs) bands (ev): -5.6865 -5.6865 -5.6864 -5.6864 -3.7351 -3.7351 -3.7349 -3.7349 1.9210 1.9210 1.9211 1.9211 4.3783 4.3783 4.3785 4.3785 4.7455 4.7455 4.7483 4.7483 5.3370 5.3370 5.3400 5.3400 5.7309 5.7309 5.7348 5.7348 6.0894 6.0894 6.0895 6.0895 6.3330 6.3330 6.3394 6.3394 7.3933 7.3933 7.3944 7.3944 8.7830 8.7830 8.7838 8.7838 9.1636 9.1636 9.1640 9.1640 9.8823 9.8823 9.8857 9.8857 13.4796 13.4796 13.4800 13.4800 k = 0.0000 0.3797-0.0000 ( 3390 PWs) bands (ev): -5.6871 -5.6871 -5.6870 -5.6870 -3.7354 -3.7354 -3.7354 -3.7354 1.9200 1.9200 1.9200 1.9200 4.3797 4.3797 4.3797 4.3797 4.7470 4.7470 4.7470 4.7470 5.3384 5.3384 5.3384 5.3384 5.7344 5.7344 5.7344 5.7344 6.0900 6.0900 6.0900 6.0900 6.3364 6.3364 6.3364 6.3364 7.3974 7.3974 7.3974 7.3974 8.7909 8.7909 8.7909 8.7909 9.1620 9.1620 9.1620 9.1620 9.8789 9.8789 9.8789 9.8789 13.4749 13.4749 13.4749 13.4749 k = 0.0000 0.3797-0.0000 ( 3390 PWs) bands (ev): -5.6871 -5.6871 -5.6870 -5.6870 -3.7354 -3.7354 -3.7354 -3.7354 1.9200 1.9200 1.9200 1.9200 4.3797 4.3797 4.3797 4.3797 4.7470 4.7470 4.7470 4.7470 5.3384 5.3384 5.3384 5.3384 5.7344 5.7344 5.7344 5.7344 6.0900 6.0900 6.0900 6.0900 6.3364 6.3364 6.3364 6.3364 7.3974 7.3974 7.3974 7.3974 8.7909 8.7909 8.7909 8.7909 9.1620 9.1620 9.1620 9.1620 9.8789 9.8789 9.8789 9.8789 13.4749 13.4749 13.4749 13.4749 k = 0.0000 0.3685-0.0000 ( 3391 PWs) bands (ev): -5.7451 -5.7451 -5.6291 -5.6291 -3.7483 -3.7483 -3.7213 -3.7213 1.9075 1.9075 1.9365 1.9365 4.3746 4.3746 4.3859 4.3859 4.7405 4.7405 4.7454 4.7454 5.2734 5.2734 5.4037 5.4037 5.7235 5.7235 5.7452 5.7452 6.0826 6.0826 6.0967 6.0967 6.3254 6.3254 6.3498 6.3498 7.3215 7.3215 7.4724 7.4724 8.7499 8.7499 8.8333 8.8333 9.1159 9.1159 9.2042 9.2042 9.8733 9.8733 9.8851 9.8851 13.4315 13.4315 13.5202 13.5202 k = 0.0000 0.3574-0.0000 ( 3387 PWs) bands (ev): -5.8030 -5.8030 -5.5715 -5.5715 -3.7595 -3.7595 -3.7061 -3.7061 1.8989 1.8989 1.9566 1.9566 4.3703 4.3703 4.3931 4.3931 4.7222 4.7222 4.7381 4.7381 5.2134 5.2134 5.4659 5.4659 5.7124 5.7124 5.7558 5.7558 6.0746 6.0746 6.1025 6.1025 6.3168 6.3168 6.3656 6.3656 7.2453 7.2453 7.5456 7.5456 8.7112 8.7112 8.8764 8.8764 9.0659 9.0659 9.2428 9.2428 9.8684 9.8684 9.8915 9.8915 13.3923 13.3923 13.5654 13.5654 k = 0.0000 0.3462-0.0000 ( 3381 PWs) bands (ev): -5.8605 -5.8605 -5.5146 -5.5146 -3.7688 -3.7688 -3.6902 -3.6902 1.8943 1.8943 1.9803 1.9803 4.3670 4.3670 4.4011 4.4011 4.6872 4.6872 4.7273 4.7273 5.1642 5.1642 5.5227 5.5227 5.7012 5.7012 5.7664 5.7664 6.0665 6.0665 6.1070 6.1070 6.3106 6.3106 6.3832 6.3832 7.1691 7.1691 7.6160 7.6160 8.6756 8.6756 8.9198 8.9198 9.0121 9.0121 9.2780 9.2780 9.8642 9.8642 9.8982 9.8982 13.3587 13.3587 13.6076 13.6076 k = 0.0000 0.3350-0.0000 ( 3379 PWs) bands (ev): -5.9174 -5.9174 -5.4588 -5.4588 -3.7757 -3.7757 -3.6738 -3.6738 1.8940 1.8940 2.0074 2.0074 4.3646 4.3646 4.4099 4.4099 4.6325 4.6325 4.7142 4.7142 5.1295 5.1295 5.5727 5.5727 5.6899 5.6899 5.7768 5.7768 6.0583 6.0583 6.1102 6.1102 6.3062 6.3062 6.4019 6.4019 7.0935 7.0935 7.6822 7.6822 8.6448 8.6448 8.9540 8.9540 8.9639 8.9639 9.3105 9.3105 9.8608 9.8608 9.9048 9.9048 13.3323 13.3323 13.6442 13.6442 k = 0.0000 0.3239-0.0000 ( 3375 PWs) bands (ev): -5.9735 -5.9735 -5.4045 -5.4045 -3.7798 -3.7798 -3.6571 -3.6571 1.8979 1.8979 2.0377 2.0377 4.3627 4.3627 4.4196 4.4196 4.5587 4.5587 4.6997 4.6997 5.1097 5.1097 5.6154 5.6154 5.6785 5.6785 5.7870 5.7870 6.0501 6.0501 6.1120 6.1120 6.3036 6.3036 6.4204 6.4204 7.0186 7.0186 7.7422 7.7422 8.6206 8.6206 8.8940 8.8940 9.0063 9.0063 9.3411 9.3411 9.8581 9.8581 9.9112 9.9112 13.3140 13.3140 13.6725 13.6725 k = 0.0000 0.3127-0.0000 ( 3371 PWs) bands (ev): -6.0286 -6.0286 -5.3522 -5.3522 -3.7807 -3.7807 -3.6403 -3.6403 1.9062 1.9062 2.0712 2.0712 4.3602 4.3602 4.4301 4.4301 4.4707 4.4707 4.6842 4.6842 5.1018 5.1018 5.6496 5.6496 5.6683 5.6683 5.7971 5.7971 6.0420 6.0420 6.1123 6.1123 6.3023 6.3023 6.4373 6.4373 6.9448 6.9448 7.7938 7.7938 8.6054 8.6054 8.8304 8.8304 9.0487 9.0487 9.3709 9.3709 9.8562 9.8562 9.9172 9.9172 13.3045 13.3045 13.6903 13.6903 k = 0.0000 0.3015-0.0000 ( 3365 PWs) bands (ev): -6.0826 -6.0826 -5.3022 -5.3022 -3.7780 -3.7780 -3.6235 -3.6235 1.9189 1.9189 2.1075 2.1075 4.3404 4.3404 4.3894 4.3894 4.4414 4.4414 4.6681 4.6681 5.1025 5.1025 5.6525 5.6525 5.6823 5.6823 5.8069 5.8069 6.0342 6.0342 6.1114 6.1114 6.3020 6.3020 6.4510 6.4510 6.8723 6.8723 7.8343 7.8343 8.6017 8.6017 8.7642 8.7642 9.0904 9.0904 9.4008 9.4008 9.8550 9.8550 9.9227 9.9227 13.3042 13.3042 13.6961 13.6961 k = 0.0000 0.2904-0.0000 ( 3375 PWs) bands (ev): -6.1353 -6.1353 -5.2551 -5.2551 -3.7713 -3.7713 -3.6070 -3.6070 1.9361 1.9361 2.1465 2.1465 4.2473 4.2473 4.3743 4.3743 4.4531 4.4531 4.6518 4.6518 5.1088 5.1088 5.6407 5.6407 5.7042 5.7042 5.8163 5.8163 6.0266 6.0266 6.1092 6.1092 6.3024 6.3024 6.4599 6.4599 6.8012 6.8012 7.8615 7.8615 8.6117 8.6117 8.6959 8.6959 9.1310 9.1310 9.4320 9.4320 9.8544 9.8544 9.9275 9.9275 13.3132 13.3132 13.6899 13.6899 k = 0.0000 0.2792-0.0000 ( 3373 PWs) bands (ev): -6.1867 -6.1867 -5.2112 -5.2112 -3.7601 -3.7601 -3.5908 -3.5908 1.9578 1.9578 2.1881 2.1881 4.1334 4.1334 4.3753 4.3753 4.4656 4.4656 4.6353 4.6353 5.1189 5.1189 5.6281 5.6281 5.7210 5.7210 5.8253 5.8253 6.0193 6.0193 6.1060 6.1060 6.3031 6.3031 6.4629 6.4629 6.7320 6.7320 7.8745 7.8745 8.6228 8.6228 8.6393 8.6393 9.1706 9.1706 9.4653 9.4653 9.8547 9.8547 9.9315 9.9315 13.3316 13.3316 13.6726 13.6726 k = 0.0000 0.2680-0.0000 ( 3367 PWs) bands (ev): -6.2366 -6.2366 -5.1710 -5.1710 -3.7441 -3.7441 -3.5750 -3.5750 1.9840 1.9840 2.2319 2.2319 4.0140 4.0140 4.3790 4.3790 4.4787 4.4787 4.6190 4.6190 5.1315 5.1315 5.6150 5.6150 5.7327 5.7327 5.8337 5.8337 6.0124 6.0124 6.1019 6.1019 6.3038 6.3038 6.4588 6.4588 6.6648 6.6648 7.8737 7.8737 8.5530 8.5530 8.6764 8.6764 9.2089 9.2089 9.5014 9.5014 9.8559 9.8559 9.9347 9.9347 13.3589 13.3589 13.6461 13.6461 k = 0.0000 0.2569-0.0000 ( 3369 PWs) bands (ev): -6.2850 -6.2850 -5.1347 -5.1347 -3.7232 -3.7232 -3.5598 -3.5598 2.0148 2.0148 2.2778 2.2778 3.8917 3.8917 4.3842 4.3842 4.4920 4.4920 4.6030 4.6030 5.1459 5.1459 5.6015 5.6015 5.7393 5.7393 5.8415 5.8415 6.0058 6.0058 6.0968 6.0968 6.3041 6.3041 6.4473 6.4473 6.5999 6.5999 7.8614 7.8614 8.4802 8.4802 8.7275 8.7275 9.2459 9.2459 9.5403 9.5403 9.8587 9.8587 9.9370 9.9370 13.3946 13.3946 13.6127 13.6127 k = 0.0000 0.2457-0.0000 ( 3369 PWs) bands (ev): -6.3317 -6.3317 -5.1025 -5.1025 -3.6971 -3.6971 -3.5451 -3.5451 2.0501 2.0501 2.3256 2.3256 3.7677 3.7677 4.3907 4.3907 4.5055 4.5055 4.5876 4.5876 5.1615 5.1615 5.5874 5.5874 5.7408 5.7408 5.8486 5.8486 5.9996 5.9996 6.0908 6.0908 6.3036 6.3036 6.4286 6.4286 6.5379 6.5379 7.8399 7.8399 8.4065 8.4065 8.7882 8.7882 9.2816 9.2816 9.5815 9.5815 9.8641 9.8641 9.9384 9.9384 13.4382 13.4382 13.5743 13.5743 k = 0.0000 0.2345-0.0000 ( 3373 PWs) bands (ev): -6.3768 -6.3768 -5.0745 -5.0745 -3.6660 -3.6660 -3.5312 -3.5312 2.0899 2.0899 2.3749 2.3749 3.6428 3.6428 4.3983 4.3983 4.5183 4.5183 4.5734 4.5734 5.1780 5.1780 5.5727 5.5727 5.7370 5.7370 5.8552 5.8552 5.9937 5.9937 6.0840 6.0840 6.3012 6.3012 6.4032 6.4032 6.4796 6.4796 7.8118 7.8118 8.3324 8.3324 8.8559 8.8559 9.3157 9.3157 9.6232 9.6232 9.8737 9.8737 9.9391 9.9391 13.4886 13.4886 13.5332 13.5332 k = 0.0000 0.2234-0.0000 ( 3373 PWs) bands (ev): -6.4201 -6.4201 -5.0507 -5.0507 -3.6299 -3.6299 -3.5179 -3.5179 2.1342 2.1342 2.4256 2.4256 3.5180 3.5180 4.4071 4.4071 4.5280 4.5280 4.5632 4.5632 5.1952 5.1952 5.5574 5.5574 5.7272 5.7272 5.8614 5.8614 5.9880 5.9880 6.0763 6.0763 6.2951 6.2951 6.3727 6.3727 6.4267 6.4267 7.7791 7.7791 8.2584 8.2584 8.9286 8.9286 9.3484 9.3484 9.6625 9.6625 9.8899 9.8899 9.9396 9.9396 13.4892 13.4892 13.5462 13.5462 k = 0.0000 0.2122-0.0000 ( 3373 PWs) bands (ev): -6.4615 -6.4615 -5.0310 -5.0310 -3.5892 -3.5892 -3.5054 -3.5054 2.1829 2.1829 2.4772 2.4772 3.3938 3.3938 4.4168 4.4168 4.5277 4.5277 4.5637 4.5637 5.2129 5.2129 5.5413 5.5413 5.7104 5.7104 5.8672 5.8672 5.9825 5.9825 6.0677 6.0677 6.2814 6.2814 6.3388 6.3388 6.3832 6.3832 7.7432 7.7432 8.1847 8.1847 9.0045 9.0045 9.3795 9.3795 9.6954 9.6954 9.9128 9.9128 9.9434 9.9434 13.4458 13.4458 13.6078 13.6078 k = 0.0000 0.2010-0.0000 ( 3369 PWs) bands (ev): -6.5011 -6.5011 -5.0150 -5.0150 -3.5444 -3.5444 -3.4936 -3.4936 2.2359 2.2359 2.5296 2.5296 3.2710 3.2710 4.4274 4.4274 4.5181 4.5181 4.5744 4.5744 5.2310 5.2310 5.5244 5.5244 5.6857 5.6857 5.8725 5.8725 5.9771 5.9771 6.0582 6.0582 6.2554 6.2554 6.3027 6.3027 6.3550 6.3550 7.7055 7.7055 8.1118 8.1118 9.0825 9.0825 9.4090 9.4090 9.7192 9.7192 9.9251 9.9251 9.9704 9.9704 13.4025 13.4025 13.6735 13.6735 k = 0.0000 0.1899-0.0000 ( 3375 PWs) bands (ev): -6.5387 -6.5387 -5.0024 -5.0024 -3.4962 -3.4962 -3.4824 -3.4824 2.2932 2.2932 2.5822 2.5822 3.1500 3.1500 4.4387 4.4387 4.5063 4.5063 4.5882 4.5882 5.2494 5.2494 5.5065 5.5065 5.6515 5.6515 5.8773 5.8773 5.9714 5.9714 6.0480 6.0480 6.2191 6.2191 6.2663 6.2663 6.3402 6.3402 7.6668 7.6668 8.0402 8.0402 9.1614 9.1614 9.4370 9.4370 9.7342 9.7342 9.9244 9.9244 10.0218 10.0218 13.3601 13.3601 13.7417 13.7417 k = 0.0000 0.1787-0.0000 ( 3377 PWs) bands (ev): -6.5744 -6.5744 -4.9929 -4.9929 -3.4727 -3.4727 -3.4444 -3.4444 2.3546 2.3546 2.6345 2.6345 3.0319 3.0319 4.4498 4.4498 4.4953 4.4953 4.6028 4.6028 5.2683 5.2683 5.4876 5.4876 5.6070 5.6070 5.8816 5.8816 5.9654 5.9654 6.0374 6.0374 6.1791 6.1791 6.2328 6.2328 6.3318 6.3318 7.6278 7.6278 7.9701 7.9701 9.2404 9.2404 9.4634 9.4634 9.7427 9.7427 9.9208 9.9208 10.0848 10.0848 13.3191 13.3191 13.8107 13.8107 k = 0.0000 0.1675-0.0000 ( 3377 PWs) bands (ev): -6.6081 -6.6081 -4.9860 -4.9860 -3.4632 -3.4632 -3.3907 -3.3907 2.4200 2.4200 2.6852 2.6852 2.9180 2.9180 4.4580 4.4580 4.4883 4.4883 4.6177 4.6177 5.2875 5.2875 5.4676 5.4676 5.5516 5.5516 5.8853 5.8853 5.9586 5.9586 6.0268 6.0268 6.1395 6.1395 6.2034 6.2034 6.3255 6.3255 7.5890 7.5890 7.9021 7.9021 9.3187 9.3187 9.4882 9.4882 9.7471 9.7471 9.9159 9.9159 10.1546 10.1546 13.2799 13.2799 13.8787 13.8787 k = 0.0000 0.1563-0.0000 ( 3373 PWs) bands (ev): -6.6398 -6.6398 -4.9814 -4.9814 -3.4546 -3.4546 -3.3354 -3.3354 2.4892 2.4892 2.7253 2.7253 2.8176 2.8176 4.4567 4.4567 4.4921 4.4921 4.6327 4.6327 5.3068 5.3068 5.4465 5.4465 5.4859 5.4859 5.8881 5.8881 5.9508 5.9508 6.0167 6.0167 6.1024 6.1024 6.1787 6.1787 6.3198 6.3198 7.5509 7.5509 7.8367 7.8367 9.3955 9.3955 9.5116 9.5116 9.7490 9.7490 9.9102 9.9102 10.2285 10.2285 13.2429 13.2429 13.9434 13.9434 k = 0.0000 0.1452-0.0000 ( 3373 PWs) bands (ev): -6.6694 -6.6694 -4.9786 -4.9786 -3.4467 -3.4467 -3.2793 -3.2793 2.5620 2.5620 2.6782 2.6782 2.8074 2.8074 4.4483 4.4483 4.5043 4.5043 4.6473 4.6473 5.3253 5.3253 5.4117 5.4117 5.4243 5.4243 5.8900 5.8900 5.9419 5.9419 6.0074 6.0074 6.0691 6.0691 6.1581 6.1581 6.3139 6.3139 7.5139 7.5139 7.7741 7.7741 9.4695 9.4695 9.5344 9.5344 9.7494 9.7494 9.9040 9.9040 10.3045 10.3045 13.2081 13.2081 14.0021 14.0021 k = 0.0000 0.1340-0.0000 ( 3383 PWs) bands (ev): -6.6969 -6.6969 -4.9773 -4.9773 -3.4396 -3.4396 -3.2230 -3.2230 2.5796 2.5796 2.6388 2.6388 2.8514 2.8514 4.4380 4.4380 4.5194 4.5194 4.6614 4.6614 5.3154 5.3154 5.3579 5.3579 5.4014 5.4014 5.8905 5.8905 5.9318 5.9318 5.9980 5.9980 6.0410 6.0410 6.1408 6.1408 6.3076 6.3076 7.4783 7.4783 7.7149 7.7149 9.5337 9.5337 9.5628 9.5628 9.7489 9.7489 9.8974 9.8974 10.3811 10.3811 13.1757 13.1757 14.0252 14.0252 k = 0.0000 0.1228-0.0000 ( 3387 PWs) bands (ev): -6.7222 -6.7222 -4.9772 -4.9772 -3.4332 -3.4332 -3.1675 -3.1675 2.4821 2.4821 2.7181 2.7181 2.8983 2.8983 4.4275 4.4275 4.5357 4.5357 4.6751 4.6751 5.2309 5.2309 5.3690 5.3690 5.3813 5.3813 5.8888 5.8888 5.9213 5.9213 5.9867 5.9867 6.0206 6.0206 6.1263 6.1263 6.3008 6.3008 7.4444 7.4444 7.6593 7.6593 9.5645 9.5645 9.6199 9.6199 9.7479 9.7479 9.8906 9.8906 10.4571 10.4571 13.1458 13.1458 14.0059 14.0059 k = 0.0000 0.1117-0.0000 ( 3393 PWs) bands (ev): -6.7455 -6.7455 -4.9779 -4.9779 -3.4274 -3.4274 -3.1133 -3.1133 2.3891 2.3891 2.8004 2.8004 2.9441 2.9441 4.4170 4.4170 4.5529 4.5529 4.6880 4.6880 5.1360 5.1360 5.3506 5.3506 5.3963 5.3963 5.8836 5.8836 5.9116 5.9116 5.9718 5.9718 6.0089 6.0089 6.1138 6.1138 6.2938 6.2938 7.4126 7.4126 7.6078 7.6078 9.5827 9.5827 9.6842 9.6842 9.7469 9.7469 9.8838 9.8838 10.5312 10.5312 13.1186 13.1186 13.9875 13.9875 k = 0.0000 0.1005-0.0000 ( 3389 PWs) bands (ev): -6.7666 -6.7666 -4.9793 -4.9793 -3.4223 -3.4223 -3.0613 -3.0613 2.3020 2.3020 2.8851 2.8851 2.9878 2.9878 4.4065 4.4065 4.5704 4.5704 4.7003 4.7003 5.0375 5.0375 5.3258 5.3258 5.4188 5.4188 5.8739 5.8739 5.9040 5.9040 5.9561 5.9561 6.0030 6.0030 6.1030 6.1030 6.2866 6.2866 7.3829 7.3829 7.5609 7.5609 9.5980 9.5980 9.7386 9.7386 9.7530 9.7530 9.8770 9.8770 10.6024 10.6024 13.0939 13.0939 13.9705 13.9705 k = 0.0000 0.0893-0.0000 ( 3385 PWs) bands (ev): -6.7855 -6.7855 -4.9810 -4.9810 -3.4179 -3.4179 -3.0122 -3.0122 2.2216 2.2216 2.9713 2.9713 3.0291 3.0291 4.3958 4.3958 4.5879 4.5879 4.7116 4.7116 4.9377 4.9377 5.3007 5.3007 5.4425 5.4425 5.8605 5.8605 5.8972 5.8972 5.9423 5.9423 5.9998 5.9998 6.0935 6.0935 6.2793 6.2793 7.3558 7.3558 7.5185 7.5185 9.6114 9.6114 9.7423 9.7423 9.8053 9.8053 9.8706 9.8706 10.6697 10.6697 13.0719 13.0719 13.9552 13.9552 k = 0.0000 0.0782-0.0000 ( 3381 PWs) bands (ev): -6.8022 -6.8022 -4.9830 -4.9830 -3.4140 -3.4140 -2.9668 -2.9668 2.1487 2.1487 3.0533 3.0533 3.0726 3.0726 4.3842 4.3842 4.6052 4.6052 4.7216 4.7216 4.8389 4.8389 5.2762 5.2762 5.4671 5.4671 5.8453 5.8453 5.8890 5.8890 5.9315 5.9315 5.9979 5.9979 6.0854 6.0854 6.2723 6.2723 7.3313 7.3313 7.4810 7.4810 9.6230 9.6230 9.7412 9.7412 9.8567 9.8567 9.8652 9.8652 10.7320 10.7320 13.0525 13.0525 13.9416 13.9416 k = 0.0000 0.0670-0.0000 ( 3389 PWs) bands (ev): -6.8167 -6.8167 -4.9850 -4.9850 -3.4107 -3.4107 -2.9257 -2.9257 2.0839 2.0839 3.0963 3.0963 3.1515 3.1515 4.3705 4.3705 4.6218 4.6218 4.7251 4.7251 4.7490 4.7490 5.2526 5.2526 5.4925 5.4925 5.8288 5.8288 5.8788 5.8788 5.9243 5.9243 5.9968 5.9968 6.0784 6.0784 6.2659 6.2659 7.3096 7.3096 7.4484 7.4484 9.6329 9.6329 9.7400 9.7400 9.8587 9.8587 9.9045 9.9045 10.7884 10.7884 13.0357 13.0357 13.9297 13.9297 k = 0.0000 0.0558-0.0000 ( 3397 PWs) bands (ev): -6.8290 -6.8290 -4.9869 -4.9869 -3.4080 -3.4080 -2.8896 -2.8896 2.0279 2.0279 3.1262 3.1262 3.2383 3.2383 4.3528 4.3528 4.6370 4.6370 4.6529 4.6529 4.7415 4.7415 5.2308 5.2308 5.5185 5.5185 5.8111 5.8111 5.8676 5.8676 5.9196 5.9196 5.9961 5.9961 6.0725 6.0725 6.2600 6.2600 7.2910 7.2910 7.4209 7.4209 9.6412 9.6412 9.7390 9.7390 9.8538 9.8538 9.9450 9.9450 10.8381 10.8381 13.0215 13.0215 13.9196 13.9196 k = 0.0000 0.0447-0.0000 ( 3399 PWs) bands (ev): -6.8391 -6.8391 -4.9886 -4.9886 -3.4057 -3.4057 -2.8591 -2.8591 1.9811 1.9811 3.1507 3.1507 3.3226 3.3226 4.3276 4.3276 4.5779 4.5779 4.6514 4.6514 4.7479 4.7479 5.2114 5.2114 5.5447 5.5447 5.7919 5.7919 5.8571 5.8571 5.9167 5.9167 5.9957 5.9957 6.0679 6.0679 6.2551 6.2551 7.2756 7.2756 7.3984 7.3984 9.6480 9.6480 9.7381 9.7381 9.8496 9.8496 9.9789 9.9789 10.8800 10.8800 13.0100 13.0100 13.9113 13.9113 k = 0.0000 0.0335-0.0000 ( 3401 PWs) bands (ev): -6.8469 -6.8469 -4.9901 -4.9901 -3.4040 -3.4040 -2.8349 -2.8349 1.9442 1.9442 3.1701 3.1701 3.4005 3.4005 4.2925 4.2925 4.5228 4.5228 4.6631 4.6631 4.7533 4.7533 5.1952 5.1952 5.5705 5.5705 5.7715 5.7715 5.8485 5.8485 5.9148 5.9148 5.9955 5.9955 6.0644 6.0644 6.2512 6.2512 7.2635 7.2635 7.3809 7.3809 9.6532 9.6532 9.7374 9.7374 9.8463 9.8463 10.0058 10.0058 10.9135 10.9135 13.0010 13.0010 13.9048 13.9048 k = 0.0000 0.0223-0.0000 ( 3401 PWs) bands (ev): -6.8525 -6.8525 -4.9911 -4.9911 -3.4028 -3.4028 -2.8172 -2.8172 1.9175 1.9175 3.1842 3.1842 3.4666 3.4666 4.2514 4.2514 4.4889 4.4889 4.6719 4.6719 4.7573 4.7573 5.1829 5.1829 5.5945 5.5945 5.7511 5.7511 5.8422 5.8422 5.9136 5.9136 5.9954 5.9954 6.0619 6.0619 6.2484 6.2484 7.2548 7.2548 7.3685 7.3685 9.6569 9.6569 9.7370 9.7370 9.8439 9.8439 10.0252 10.0252 10.9379 10.9379 12.9946 12.9946 13.9002 13.9002 k = 0.0000 0.0112-0.0000 ( 3399 PWs) bands (ev): -6.8559 -6.8559 -4.9918 -4.9918 -3.4021 -3.4021 -2.8064 -2.8064 1.9014 1.9014 3.1927 3.1927 3.5126 3.5126 4.2170 4.2170 4.4718 4.4718 4.6774 4.6774 4.7598 4.7598 5.1753 5.1753 5.6135 5.6135 5.7342 5.7342 5.8385 5.8385 5.9130 5.9130 5.9954 5.9954 6.0605 6.0605 6.2468 6.2468 7.2496 7.2496 7.3611 7.3611 9.6591 9.6591 9.7367 9.7367 9.8424 9.8424 10.0370 10.0370 10.9528 10.9528 12.9908 12.9908 13.8974 13.8974 k = 0.0000 0.0000 0.0000 ( 3411 PWs) bands (ev): -6.8570 -6.8570 -4.9920 -4.9920 -3.4019 -3.4019 -2.8028 -2.8028 1.8960 1.8960 3.1955 3.1955 3.5294 3.5294 4.2035 4.2035 4.4666 4.4666 4.6792 4.6792 4.7606 4.7606 5.1726 5.1726 5.6213 5.6213 5.7270 5.7270 5.8371 5.8371 5.9127 5.9127 5.9953 5.9953 6.0600 6.0600 6.2462 6.2462 7.2478 7.2478 7.3585 7.3585 9.6598 9.6598 9.7366 9.7366 9.8419 9.8419 10.0409 10.0409 10.9578 10.9578 12.9895 12.9895 13.8965 13.8965 k = 0.0000 0.0000 0.0000 ( 3411 PWs) bands (ev): -6.8570 -6.8570 -4.9920 -4.9920 -3.4019 -3.4019 -2.8028 -2.8028 1.8960 1.8960 3.1955 3.1955 3.5294 3.5294 4.2035 4.2035 4.4666 4.4666 4.6792 4.6792 4.7606 4.7606 5.1726 5.1726 5.6213 5.6213 5.7270 5.7270 5.8371 5.8371 5.9127 5.9127 5.9953 5.9953 6.0600 6.0600 6.2462 6.2462 7.2478 7.2478 7.3585 7.3585 9.6598 9.6598 9.7366 9.7366 9.8419 9.8419 10.0409 10.0409 10.9578 10.9578 12.9895 12.9895 13.8965 13.8965 k = 0.0000 0.0000 0.0109 ( 3399 PWs) bands (ev): -6.8560 -6.8560 -4.9948 -4.9948 -3.4001 -3.4001 -2.8028 -2.8028 1.8966 1.8966 3.1976 3.1976 3.5273 3.5273 4.2037 4.2037 4.4620 4.4620 4.6793 4.6793 4.7604 4.7604 5.1731 5.1731 5.6278 5.6278 5.7282 5.7282 5.8368 5.8368 5.9130 5.9130 5.9955 5.9955 6.0604 6.0604 6.2460 6.2460 7.2467 7.2467 7.3591 7.3591 9.6599 9.6599 9.7300 9.7300 9.8398 9.8398 10.0407 10.0407 10.9559 10.9559 12.9912 12.9912 13.8853 13.8853 k = 0.0000 0.0000 0.0218 ( 3401 PWs) bands (ev): -6.8531 -6.8531 -5.0031 -5.0031 -3.3949 -3.3949 -2.8029 -2.8029 1.8985 1.8985 3.2038 3.2038 3.5208 3.5208 4.2044 4.2044 4.4486 4.4486 4.6792 4.6792 4.7597 4.7597 5.1744 5.1744 5.6468 5.6468 5.7319 5.7319 5.8358 5.8358 5.9136 5.9136 5.9960 5.9960 6.0617 6.0617 6.2456 6.2456 7.2435 7.2435 7.3604 7.3604 9.6597 9.6597 9.7111 9.7111 9.8333 9.8333 10.0401 10.0401 10.9501 10.9501 12.9963 12.9963 13.8625 13.8625 k = 0.0000 0.0000 0.0327 ( 3395 PWs) bands (ev): -6.8482 -6.8482 -5.0169 -5.0169 -3.3863 -3.3863 -2.8029 -2.8029 1.9015 1.9015 3.2141 3.2141 3.5100 3.5100 4.2055 4.2055 4.4278 4.4278 4.6791 4.6791 4.7586 4.7586 5.1766 5.1766 5.6769 5.6769 5.7377 5.7377 5.8344 5.8344 5.9146 5.9146 5.9969 5.9969 6.0639 6.0639 6.2448 6.2448 7.2382 7.2382 7.3627 7.3627 9.6556 9.6556 9.6850 9.6850 9.8219 9.8219 10.0390 10.0390 10.9406 10.9406 13.0048 13.0048 13.8413 13.8413 k = 0.0000 0.0000 0.0436 ( 3391 PWs) bands (ev): -6.8413 -6.8413 -5.0357 -5.0357 -3.3746 -3.3746 -2.8031 -2.8031 1.9058 1.9058 3.2284 3.2284 3.4947 3.4947 4.2072 4.2072 4.4013 4.4013 4.6790 4.6790 4.7571 4.7571 5.1797 5.1797 5.7160 5.7160 5.7452 5.7452 5.8331 5.8331 5.9156 5.9156 5.9982 5.9982 6.0671 6.0671 6.2437 6.2437 7.2308 7.2308 7.3660 7.3660 9.6275 9.6275 9.6729 9.6729 9.8051 9.8051 10.0375 10.0375 10.9272 10.9272 13.0165 13.0165 13.8275 13.8275 k = 0.0000 0.0000 0.0544 ( 3383 PWs) bands (ev): -6.8325 -6.8325 -5.0594 -5.0594 -3.3601 -3.3601 -2.8032 -2.8032 1.9113 1.9113 3.2468 3.2468 3.4749 3.4749 4.2094 4.2094 4.3712 4.3712 4.6789 4.6789 4.7552 4.7552 5.1835 5.1835 5.7536 5.7536 5.7611 5.7611 5.8333 5.8333 5.9165 5.9165 6.0002 6.0002 6.0715 6.0715 6.2425 6.2425 7.2214 7.2214 7.3703 7.3703 9.5785 9.5785 9.6733 9.6733 9.7833 9.7833 10.0355 10.0355 10.9102 10.9102 13.0316 13.0316 13.8232 13.8232 k = 0.0000 0.0000 0.0653 ( 3383 PWs) bands (ev): -6.8218 -6.8218 -5.0875 -5.0875 -3.3432 -3.3432 -2.8035 -2.8035 1.9179 1.9179 3.2691 3.2691 3.4505 3.4505 4.2124 4.2124 4.3392 4.3392 4.6787 4.6787 4.7529 4.7529 5.1882 5.1882 5.7614 5.7614 5.8041 5.8041 5.8423 5.8423 5.9169 5.9169 6.0028 6.0028 6.0771 6.0771 6.2410 6.2410 7.2100 7.2100 7.3756 7.3756 9.5197 9.5197 9.6763 9.6763 9.7568 9.7568 10.0332 10.0332 10.8895 10.8895 13.0499 13.0499 13.8287 13.8287 k = 0.0000 0.0000 0.0762 ( 3383 PWs) bands (ev): -6.8091 -6.8091 -5.1197 -5.1197 -3.3241 -3.3241 -2.8038 -2.8038 1.9256 1.9256 3.2951 3.2951 3.4217 3.4217 4.2161 4.2161 4.3071 4.3071 4.6785 4.6785 4.7502 4.7502 5.1938 5.1938 5.7664 5.7664 5.8240 5.8240 5.8802 5.8802 5.9171 5.9171 6.0063 6.0063 6.0842 6.0842 6.2393 6.2393 7.1966 7.1966 7.3821 7.3821 9.4541 9.4541 9.6802 9.6802 9.7263 9.7263 10.0304 10.0304 10.8652 10.8652 13.0713 13.0713 13.8438 13.8438 k = 0.0000 0.0000 0.0871 ( 3375 PWs) bands (ev): -6.7945 -6.7945 -5.1554 -5.1554 -3.3033 -3.3033 -2.8043 -2.8043 1.9344 1.9344 3.3235 3.3235 3.3897 3.3897 4.2207 4.2207 4.2759 4.2759 4.6783 4.6783 4.7473 4.7473 5.2001 5.2001 5.7668 5.7668 5.8349 5.8349 5.9132 5.9132 5.9365 5.9365 6.0110 6.0110 6.0929 6.0929 6.2377 6.2377 7.1813 7.1813 7.3900 7.3900 9.3832 9.3832 9.6838 9.6838 9.6939 9.6939 10.0271 10.0271 10.8374 10.8374 13.0957 13.0957 13.8677 13.8677 k = 0.0000 0.0000 0.0980 ( 3373 PWs) bands (ev): -6.7780 -6.7780 -5.1944 -5.1944 -3.2812 -3.2812 -2.8049 -2.8049 1.9442 1.9442 3.3367 3.3367 3.3722 3.3722 4.2262 4.2262 4.2469 4.2469 4.6781 4.6781 4.7442 4.7442 5.2072 5.2072 5.7627 5.7627 5.8468 5.8468 5.9134 5.9134 5.9877 5.9877 6.0191 6.0191 6.1033 6.1033 6.2362 6.2362 7.1642 7.1642 7.3993 7.3993 9.3086 9.3086 9.6556 9.6556 9.6916 9.6916 10.0235 10.0235 10.8062 10.8062 13.1231 13.1231 13.8997 13.8997 k = 0.0000 0.0000 0.1089 ( 3375 PWs) bands (ev): -6.7597 -6.7597 -5.2361 -5.2361 -3.2581 -3.2581 -2.8057 -2.8057 1.9551 1.9551 3.3019 3.3019 3.4022 3.4022 4.2188 4.2188 4.2344 4.2344 4.6779 4.6779 4.7409 4.7409 5.2151 5.2151 5.7553 5.7553 5.8577 5.8577 5.9141 5.9141 6.0147 6.0147 6.0516 6.0516 6.1155 6.1155 6.2352 6.2352 7.1453 7.1453 7.4103 7.4103 9.2315 9.2315 9.6183 9.6183 9.6977 9.6977 10.0194 10.0194 10.7717 10.7717 13.1533 13.1533 13.9388 13.9388 k = 0.0000 0.0000 0.1198 ( 3380 PWs) bands (ev): -6.7394 -6.7394 -5.2802 -5.2802 -3.2342 -3.2342 -2.8067 -2.8067 1.9670 1.9670 3.2570 3.2570 3.4417 3.4417 4.1948 4.1948 4.2427 4.2427 4.6777 4.6777 4.7373 4.7373 5.2238 5.2238 5.7456 5.7456 5.8630 5.8630 5.9198 5.9198 6.0230 6.0230 6.0986 6.0986 6.1308 6.1308 6.2355 6.2355 7.1247 7.1247 7.4229 7.4229 9.1533 9.1533 9.5806 9.5806 9.7046 9.7046 10.0149 10.0149 10.7340 10.7340 13.1863 13.1863 13.9841 13.9841 k = 0.0000 0.0000 0.1307 ( 3384 PWs) bands (ev): -6.7173 -6.7173 -5.3264 -5.3264 -3.2100 -3.2100 -2.8079 -2.8079 1.9800 1.9800 3.2082 3.2082 3.4849 3.4849 4.1732 4.1732 4.2534 4.2534 4.6774 4.6774 4.7337 4.7337 5.2333 5.2333 5.7342 5.7342 5.8598 5.8598 5.9319 5.9319 6.0305 6.0305 6.1316 6.1316 6.1575 6.1575 6.2383 6.2383 7.1025 7.1025 7.4376 7.4376 9.0752 9.0752 9.5435 9.5435 9.7121 9.7121 10.0099 10.0099 10.6931 10.6931 13.2221 13.2221 14.0343 14.0343 k = 0.0000 0.0000 0.1415 ( 3384 PWs) bands (ev): -6.6934 -6.6934 -5.3742 -5.3742 -3.1856 -3.1856 -2.8094 -2.8094 1.9942 1.9942 3.1568 3.1568 3.5304 3.5304 4.1539 4.1539 4.2666 4.2666 4.6773 4.6773 4.7300 4.7300 5.2435 5.2435 5.7215 5.7215 5.8499 5.8499 5.9475 5.9475 6.0388 6.0388 6.1479 6.1479 6.1923 6.1923 6.2473 6.2473 7.0786 7.0786 7.4544 7.4544 8.9979 8.9979 9.5084 9.5084 9.7202 9.7202 10.0046 10.0046 10.6492 10.6492 13.2605 13.2605 14.0884 14.0884 k = 0.0000 0.0000 0.1524 ( 3386 PWs) bands (ev): -6.6677 -6.6677 -5.4235 -5.4235 -3.1613 -3.1613 -2.8112 -2.8112 2.0095 2.0095 3.1034 3.1034 3.5776 3.5776 4.1370 4.1370 4.2828 4.2828 4.6772 4.6772 4.7264 4.7264 5.2545 5.2545 5.7078 5.7078 5.8348 5.8348 5.9636 5.9636 6.0485 6.0485 6.1594 6.1594 6.2182 6.2182 6.2665 6.2665 7.0534 7.0534 7.4735 7.4735 8.9224 8.9224 9.4765 9.4765 9.7288 9.7288 9.9988 9.9988 10.6025 10.6025 13.3014 13.3014 14.1449 14.1449 k = 0.0000 0.0000 0.1633 ( 3394 PWs) bands (ev): -6.6402 -6.6402 -5.4739 -5.4739 -3.1373 -3.1373 -2.8135 -2.8135 2.0260 2.0260 3.0486 3.0486 3.6256 3.6256 4.1221 4.1221 4.3027 4.3027 4.6771 4.6771 4.7227 4.7227 5.2661 5.2661 5.6930 5.6930 5.8152 5.8152 5.9782 5.9782 6.0595 6.0595 6.1677 6.1677 6.2370 6.2370 6.2925 6.2925 7.0267 7.0267 7.4951 7.4951 8.8489 8.8489 9.4489 9.4489 9.7379 9.7379 9.9926 9.9926 10.5529 10.5529 13.3448 13.3448 14.2023 14.2023 k = 0.0000 0.0000 0.1742 ( 3388 PWs) bands (ev): -6.6109 -6.6109 -5.5252 -5.5252 -3.1137 -3.1137 -2.8161 -2.8161 2.0439 2.0439 2.9931 2.9931 3.6733 3.6733 4.1090 4.1090 4.3270 4.3270 4.6771 4.6771 4.7191 4.7191 5.2785 5.2785 5.6774 5.6774 5.7910 5.7910 5.9906 5.9906 6.0714 6.0714 6.1739 6.1739 6.2557 6.2557 6.3174 6.3174 6.9988 6.9988 7.5194 7.5194 8.7778 8.7778 9.4270 9.4270 9.7474 9.7474 9.9859 9.9859 10.5007 10.5007 13.3907 13.3907 14.2587 14.2587 k = 0.0000 0.0000 0.1851 ( 3390 PWs) bands (ev): -6.5800 -6.5800 -5.5770 -5.5770 -3.0907 -3.0907 -2.8192 -2.8192 2.0631 2.0631 2.9372 2.9372 3.7197 3.7197 4.0973 4.0973 4.3565 4.3565 4.6771 4.6771 4.7155 4.7155 5.2914 5.2914 5.6608 5.6608 5.7620 5.7620 6.0007 6.0007 6.0825 6.0825 6.1801 6.1801 6.2765 6.2765 6.3381 6.3381 6.9697 6.9697 7.5464 7.5464 8.7089 8.7089 9.4119 9.4119 9.7573 9.7573 9.9789 9.9789 10.4460 10.4460 13.4389 13.4389 14.3115 14.3115 k = 0.0000 0.0000 0.1960 ( 3390 PWs) bands (ev): -6.5473 -6.5473 -5.6293 -5.6293 -3.0684 -3.0684 -2.8228 -2.8228 2.0838 2.0838 2.8814 2.8814 3.7638 3.7638 4.0869 4.0869 4.3922 4.3922 4.6773 4.6773 4.7120 4.7120 5.3050 5.3050 5.6434 5.6434 5.7279 5.7279 6.0089 6.0089 6.0910 6.0910 6.1884 6.1884 6.2993 6.2993 6.3537 6.3537 6.9395 6.9395 7.5763 7.5763 8.6420 8.6420 9.4045 9.4045 9.7675 9.7675 9.9715 9.9715 10.3890 10.3890 13.4895 13.4895 14.3577 14.3577 k = 0.0000 0.0000 0.2069 ( 3394 PWs) bands (ev): -6.5131 -6.5131 -5.6818 -5.6818 -3.0469 -3.0469 -2.8269 -2.8269 2.1060 2.1060 2.8260 2.8260 3.8044 3.8044 4.0774 4.0774 4.4346 4.4346 4.6775 4.6775 4.7086 4.7086 5.3192 5.3192 5.6245 5.6245 5.6890 5.6890 6.0159 6.0159 6.0957 6.0957 6.1998 6.1998 6.3238 6.3238 6.3646 6.3646 6.9084 6.9084 7.6092 7.6092 8.5768 8.5768 9.4055 9.4055 9.7779 9.7779 9.9636 9.9636 10.3298 10.3298 13.5422 13.5422 14.3933 14.3933 k = 0.0000 0.0000 0.2178 ( 3394 PWs) bands (ev): -6.4772 -6.4772 -5.7343 -5.7343 -3.0263 -3.0263 -2.8317 -2.8317 2.1299 2.1299 2.7715 2.7715 3.8410 3.8410 4.0686 4.0686 4.4841 4.4841 4.6778 4.6778 4.7054 4.7054 5.3339 5.3339 5.6020 5.6020 5.6471 5.6471 6.0219 6.0219 6.0968 6.0968 6.2141 6.2141 6.3494 6.3494 6.3716 6.3716 6.8764 6.8764 7.6450 7.6450 8.5128 8.5128 9.4151 9.4151 9.7886 9.7886 9.9554 9.9554 10.2688 10.2688 13.5971 13.5971 14.4146 14.4146 k = 0.0000 0.0000 0.2286 ( 3390 PWs) bands (ev): -6.4397 -6.4397 -5.7867 -5.7867 -3.0067 -3.0067 -2.8372 -2.8372 2.1556 2.1556 2.7180 2.7180 3.8733 3.8733 4.0604 4.0604 4.5406 4.5406 4.6784 4.6784 4.7024 4.7024 5.3491 5.3491 5.5683 5.5683 5.6101 5.6101 6.0274 6.0274 6.0952 6.0952 6.2300 6.2300 6.3687 6.3687 6.3826 6.3826 6.8436 6.8436 7.6839 7.6839 8.4498 8.4498 9.4335 9.4335 9.7995 9.7995 9.9468 9.9468 10.2062 10.2062 13.6541 13.6541 14.4185 14.4185 k = 0.0000 0.0000 0.2395 ( 3386 PWs) bands (ev): -6.4008 -6.4008 -5.8388 -5.8388 -2.9880 -2.9880 -2.8433 -2.8433 2.1830 2.1830 2.6659 2.6659 3.9011 3.9011 4.0525 4.0525 4.6037 4.6037 4.6790 4.6790 4.6997 4.6997 5.3646 5.3646 5.5171 5.5171 5.5844 5.5844 6.0325 6.0325 6.0918 6.0918 6.2464 6.2464 6.3706 6.3706 6.4092 6.4092 6.8103 6.8103 7.7256 7.7256 8.3875 8.3875 9.4602 9.4602 9.8104 9.8104 9.9378 9.9378 10.1423 10.1423 13.7130 13.7130 14.4044 14.4044 k = 0.0000 0.0000 0.2504 ( 3390 PWs) bands (ev): -6.3604 -6.3604 -5.8905 -5.8905 -2.9704 -2.9704 -2.8503 -2.8503 2.2123 2.2123 2.6152 2.6152 3.9250 3.9250 4.0448 4.0448 4.6707 4.6707 4.6807 4.6807 4.6980 4.6980 5.3798 5.3798 5.4559 5.4559 5.5635 5.5635 6.0375 6.0375 6.0874 6.0874 6.2625 6.2625 6.3680 6.3680 6.4391 6.4391 6.7764 6.7764 7.7701 7.7701 8.3257 8.3257 9.4947 9.4947 9.8214 9.8214 9.9285 9.9285 10.0775 10.0775 13.7737 13.7737 14.3741 14.3741 k = 0.0000 0.0000 0.2613 ( 3386 PWs) bands (ev): -6.3185 -6.3185 -5.9417 -5.9417 -2.9538 -2.9538 -2.8580 -2.8580 2.2436 2.2436 2.5662 2.5662 3.9453 3.9453 4.0370 4.0370 4.6803 4.6803 4.6934 4.6934 4.7481 4.7481 5.3770 5.3770 5.4066 5.4066 5.5441 5.5441 6.0423 6.0423 6.0825 6.0825 6.2780 6.2780 6.3631 6.3631 6.4705 6.4705 6.7422 6.7422 7.8173 7.8173 8.2646 8.2646 9.5360 9.5360 9.8322 9.8322 9.9189 9.9189 10.0123 10.0123 13.8360 13.8360 14.3311 14.3311 k = 0.0000 0.0000 0.2722 ( 3378 PWs) bands (ev): -6.2754 -6.2754 -5.9921 -5.9921 -2.9382 -2.9382 -2.8666 -2.8666 2.2768 2.2768 2.5190 2.5190 3.9626 3.9626 4.0291 4.0291 4.6815 4.6815 4.6914 4.6914 4.8255 4.8255 5.3093 5.3093 5.4176 5.4176 5.5252 5.5252 6.0471 6.0471 6.0774 6.0774 6.2925 6.2925 6.3566 6.3566 6.5028 6.5028 6.7077 6.7077 7.8670 7.8670 8.2041 8.2041 9.5834 9.5834 9.8426 9.8426 9.9088 9.9088 9.9477 9.9477 13.8996 13.8996 14.2790 14.2790 k = 0.0000 0.0000 0.2831 ( 3386 PWs) bands (ev): -6.2309 -6.2309 -6.0418 -6.0418 -2.9238 -2.9238 -2.8761 -2.8761 2.3121 2.3121 2.4736 2.4736 3.9774 3.9774 4.0206 4.0206 4.6827 4.6827 4.6893 4.6893 4.9058 4.9058 5.2324 5.2324 5.4343 5.4343 5.5065 5.5065 6.0519 6.0519 6.0722 6.0722 6.3059 6.3059 6.3487 6.3487 6.5360 6.5360 6.6730 6.6730 7.9189 7.9189 8.1445 8.1445 9.6359 9.6359 9.8494 9.8494 9.8854 9.8854 9.9001 9.9001 13.9642 13.9642 14.2207 14.2207 k = 0.0000 0.0000 0.2940 ( 3386 PWs) bands (ev): -6.1853 -6.1853 -6.0907 -6.0907 -2.9103 -2.9103 -2.8865 -2.8865 2.3494 2.3494 2.4302 2.4302 3.9902 3.9902 4.0115 4.0115 4.6841 4.6841 4.6874 4.6874 4.9879 4.9879 5.1523 5.1523 5.4518 5.4518 5.4880 5.4880 6.0569 6.0569 6.0670 6.0670 6.3182 6.3182 6.3396 6.3396 6.5697 6.5697 6.6384 6.6384 7.9729 7.9729 8.0859 8.0859 9.6924 9.6924 9.8123 9.8123 9.8700 9.8700 9.8892 9.8892 14.0294 14.0294 14.1586 14.1586 k = 0.0000 0.0000 0.3049 ( 3392 PWs) bands (ev): -6.1385 -6.1385 -6.1385 -6.1385 -2.8979 -2.8979 -2.8979 -2.8979 2.3888 2.3888 2.3888 2.3888 4.0014 4.0014 4.0014 4.0014 4.6856 4.6856 4.6856 4.6856 5.0704 5.0704 5.0704 5.0704 5.4697 5.4697 5.4697 5.4697 6.0618 6.0618 6.0618 6.0618 6.3294 6.3294 6.3295 6.3295 6.6039 6.6039 6.6039 6.6039 8.0286 8.0286 8.0286 8.0286 9.7518 9.7518 9.7519 9.7519 9.8789 9.8789 9.8789 9.8789 14.0945 14.0945 14.0945 14.0945 k = 0.0000 0.0000 0.3049 ( 3392 PWs) bands (ev): -6.1385 -6.1385 -6.1385 -6.1385 -2.8979 -2.8979 -2.8979 -2.8979 2.3888 2.3888 2.3888 2.3888 4.0014 4.0014 4.0014 4.0014 4.6856 4.6856 4.6856 4.6856 5.0704 5.0704 5.0704 5.0704 5.4697 5.4697 5.4697 5.4697 6.0618 6.0618 6.0618 6.0618 6.3294 6.3294 6.3295 6.3295 6.6039 6.6039 6.6039 6.6039 8.0286 8.0286 8.0286 8.0286 9.7518 9.7518 9.7519 9.7519 9.8789 9.8789 9.8789 9.8789 14.0945 14.0945 14.0945 14.0945 k = 0.0111-0.0000 0.3049 ( 3382 PWs) bands (ev): -6.1378 -6.1378 -6.1378 -6.1378 -2.8979 -2.8979 -2.8978 -2.8978 2.3894 2.3894 2.3898 2.3898 4.0011 4.0011 4.0023 4.0023 4.6825 4.6825 4.6873 4.6873 5.0680 5.0680 5.0725 5.0725 5.4643 5.4643 5.4678 5.4678 6.0572 6.0572 6.0651 6.0651 6.3278 6.3278 6.3287 6.3287 6.6036 6.6036 6.6072 6.6072 8.0305 8.0305 8.0324 8.0324 9.7418 9.7418 9.7515 9.7515 9.8742 9.8742 9.8855 9.8855 14.0986 14.0986 14.0990 14.0990 k = 0.0222-0.0000 0.3049 ( 3384 PWs) bands (ev): -6.1356 -6.1356 -6.1356 -6.1356 -2.8979 -2.8979 -2.8977 -2.8977 2.3915 2.3915 2.3923 2.3923 4.0011 4.0011 4.0034 4.0034 4.6781 4.6781 4.6874 4.6874 5.0651 5.0651 5.0739 5.0739 5.4520 5.4520 5.4585 5.4585 6.0512 6.0512 6.0665 6.0665 6.3239 6.3239 6.3256 6.3256 6.6061 6.6061 6.6132 6.6132 8.0380 8.0380 8.0417 8.0417 9.7227 9.7227 9.7395 9.7395 9.8726 9.8726 9.8925 9.8925 14.1114 14.1114 14.1121 14.1121 k = 0.0333-0.0000 0.3049 ( 3388 PWs) bands (ev): -6.1320 -6.1320 -6.1320 -6.1320 -2.8978 -2.8978 -2.8974 -2.8974 2.3951 2.3951 2.3963 2.3963 4.0014 4.0014 4.0050 4.0050 4.6722 4.6722 4.6861 4.6861 5.0611 5.0611 5.0741 5.0741 5.4336 5.4336 5.4429 5.4429 6.0443 6.0443 6.0661 6.0661 6.3183 6.3183 6.3207 6.3207 6.6111 6.6111 6.6209 6.6209 8.0507 8.0507 8.0563 8.0563 9.6953 9.6953 9.7157 9.7157 9.8743 9.8743 9.8994 9.8994 14.1325 14.1325 14.1335 14.1335 k = 0.0444-0.0000 0.3049 ( 3386 PWs) bands (ev): -6.1270 -6.1270 -6.1269 -6.1269 -2.8976 -2.8976 -2.8971 -2.8971 2.4003 2.4003 2.4019 2.4019 4.0021 4.0021 4.0068 4.0068 4.6651 4.6651 4.6833 4.6833 5.0550 5.0550 5.0719 5.0719 5.4111 5.4111 5.4226 5.4226 6.0368 6.0368 6.0637 6.0637 6.3115 6.3115 6.3145 6.3145 6.6179 6.6179 6.6298 6.6298 8.0684 8.0684 8.0758 8.0758 9.6600 9.6600 9.6814 9.6814 9.8787 9.8787 9.9063 9.9063 14.1613 14.1613 14.1626 14.1626 k = 0.0556-0.0000 0.3049 ( 3386 PWs) bands (ev): -6.1205 -6.1205 -6.1205 -6.1205 -2.8973 -2.8973 -2.8968 -2.8968 2.4070 2.4070 2.4090 2.4090 4.0028 4.0028 4.0088 4.0088 4.6569 4.6569 4.6792 4.6792 5.0452 5.0452 5.0656 5.0656 5.3868 5.3868 5.4001 5.4001 6.0288 6.0288 6.0596 6.0596 6.3039 6.3039 6.3076 6.3076 6.6256 6.6256 6.6391 6.6391 8.0903 8.0903 8.0994 8.0994 9.6169 9.6169 9.6379 9.6379 9.8850 9.8850 9.9133 9.9133 14.1972 14.1972 14.1987 14.1987 k = 0.0667-0.0000 0.3049 ( 3394 PWs) bands (ev): -6.1127 -6.1127 -6.1126 -6.1126 -2.8971 -2.8971 -2.8964 -2.8964 2.4151 2.4151 2.4175 2.4175 4.0035 4.0035 4.0108 4.0108 4.6476 4.6476 4.6737 4.6737 5.0298 5.0298 5.0530 5.0530 5.3636 5.3636 5.3785 5.3785 6.0205 6.0205 6.0539 6.0539 6.2959 6.2959 6.3003 6.3003 6.6336 6.6336 6.6481 6.6481 8.1158 8.1158 8.1264 8.1264 9.5665 9.5665 9.5861 9.5861 9.8925 9.8925 9.9206 9.9206 14.2391 14.2391 14.2406 14.2406 k = 0.0778-0.0000 0.3049 ( 3398 PWs) bands (ev): -6.1034 -6.1034 -6.1033 -6.1033 -2.8968 -2.8968 -2.8960 -2.8960 2.4246 2.4246 2.4275 2.4275 4.0039 4.0039 4.0125 4.0125 4.6371 4.6371 4.6668 4.6668 5.0072 5.0072 5.0324 5.0324 5.3443 5.3443 5.3609 5.3609 6.0120 6.0120 6.0468 6.0468 6.2877 6.2877 6.2931 6.2931 6.6414 6.6414 6.6564 6.6564 8.1442 8.1442 8.1563 8.1563 9.5092 9.5092 9.5270 9.5270 9.9010 9.9010 9.9285 9.9285 14.2855 14.2855 14.2870 14.2870 k = 0.0889-0.0000 0.3049 ( 3390 PWs) bands (ev): -6.0928 -6.0928 -6.0927 -6.0927 -2.8965 -2.8965 -2.8956 -2.8956 2.4354 2.4354 2.4388 2.4388 4.0037 4.0037 4.0137 4.0137 4.6253 4.6253 4.6584 4.6584 4.9768 4.9768 5.0029 5.0029 5.3312 5.3312 5.3498 5.3498 6.0034 6.0034 6.0387 6.0387 6.2793 6.2793 6.2858 6.2858 6.6486 6.6486 6.6638 6.6638 8.1746 8.1746 8.1881 8.1881 9.4456 9.4456 9.4615 9.4615 9.9104 9.9104 9.9371 9.9371 14.3343 14.3343 14.3358 14.3358 k = 0.1000-0.0000 0.3049 ( 3390 PWs) bands (ev): -6.0809 -6.0809 -6.0808 -6.0808 -2.8962 -2.8962 -2.8952 -2.8952 2.4475 2.4475 2.4514 2.4514 4.0026 4.0026 4.0139 4.0139 4.6118 4.6118 4.6477 4.6477 4.9397 4.9397 4.9658 4.9658 5.3247 5.3247 5.3457 5.3457 5.9945 5.9945 6.0296 6.0296 6.2708 6.2708 6.2784 6.2784 6.6549 6.6549 6.6699 6.6699 8.2064 8.2064 8.2211 8.2211 9.3763 9.3763 9.3904 9.3904 9.9206 9.9206 9.9463 9.9463 14.3831 14.3831 14.3843 14.3843 k = 0.1111-0.0000 0.3049 ( 3386 PWs) bands (ev): -6.0676 -6.0676 -6.0675 -6.0675 -2.8959 -2.8959 -2.8949 -2.8949 2.4608 2.4608 2.4652 2.4652 4.0001 4.0001 4.0128 4.0128 4.5960 4.5960 4.6339 4.6339 4.8990 4.8990 4.9241 4.9241 5.3245 5.3245 5.3477 5.3477 5.9855 5.9855 6.0198 6.0198 6.2620 6.2620 6.2710 6.2710 6.6600 6.6600 6.6747 6.6747 8.2387 8.2387 8.2547 8.2547 9.3021 9.3021 9.3145 9.3145 9.9315 9.9315 9.9561 9.9561 14.4284 14.4284 14.4293 14.4293 k = 0.1222-0.0000 0.3049 ( 3384 PWs) bands (ev): -6.0531 -6.0531 -6.0530 -6.0530 -2.8957 -2.8957 -2.8946 -2.8946 2.4752 2.4752 2.4801 2.4801 3.9954 3.9954 4.0096 4.0096 4.5770 4.5770 4.6155 4.6155 4.8588 4.8588 4.8814 4.8814 5.3292 5.3292 5.3548 5.3548 5.9762 5.9762 6.0096 6.0096 6.2530 6.2530 6.2632 6.2632 6.6640 6.6640 6.6782 6.6782 8.2709 8.2709 8.2880 8.2880 9.2239 9.2239 9.2346 9.2346 9.9431 9.9431 9.9667 9.9667 14.4662 14.4662 14.4668 14.4668 k = 0.1333-0.0000 0.3049 ( 3384 PWs) bands (ev): -6.0374 -6.0374 -6.0373 -6.0373 -2.8956 -2.8956 -2.8944 -2.8944 2.4905 2.4905 2.4960 2.4960 3.9878 3.9878 4.0034 4.0034 4.5540 4.5540 4.5909 4.5909 4.8235 4.8235 4.8416 4.8416 5.3378 5.3378 5.3655 5.3655 5.9669 5.9669 5.9989 5.9989 6.2435 6.2435 6.2551 6.2551 6.6667 6.6667 6.6801 6.6801 8.3021 8.3021 8.3203 8.3203 9.1426 9.1426 9.1517 9.1517 9.9553 9.9553 9.9778 9.9778 14.4924 14.4924 14.4925 14.4925 k = 0.1444-0.0000 0.3049 ( 3392 PWs) bands (ev): -6.0206 -6.0206 -6.0204 -6.0204 -2.8956 -2.8956 -2.8943 -2.8943 2.5067 2.5067 2.5127 2.5127 3.9763 3.9763 3.9932 3.9932 4.5264 4.5264 4.5596 4.5596 4.7962 4.7962 4.8080 4.8080 5.3491 5.3491 5.3789 5.3789 5.9573 5.9573 5.9880 5.9880 6.2337 6.2337 6.2464 6.2464 6.6681 6.6681 6.6807 6.6807 8.3314 8.3314 8.3507 8.3507 9.0594 9.0594 9.0669 9.0669 9.9680 9.9680 9.9894 9.9894 14.5031 14.5031 14.5035 14.5035 k = 0.1556-0.0000 0.3049 ( 3394 PWs) bands (ev): -6.0026 -6.0026 -6.0024 -6.0024 -2.8958 -2.8958 -2.8944 -2.8944 2.5235 2.5235 2.5302 2.5302 3.9599 3.9599 3.9779 3.9779 4.4953 4.4953 4.5233 4.5233 4.7779 4.7779 4.7824 4.7824 5.3626 5.3626 5.3943 5.3943 5.9477 5.9477 5.9769 5.9769 6.2233 6.2233 6.2373 6.2373 6.6683 6.6683 6.6799 6.6799 8.3577 8.3577 8.3782 8.3782 8.9756 8.9756 8.9814 8.9814 9.9812 9.9812 10.0015 10.0015 14.4971 14.4971 14.4979 14.4979 k = 0.1667-0.0000 0.3049 ( 3390 PWs) bands (ev): -5.9835 -5.9835 -5.9833 -5.9833 -2.8961 -2.8961 -2.8947 -2.8947 2.5407 2.5407 2.5481 2.5481 3.9375 3.9375 3.9564 3.9564 4.4629 4.4629 4.4855 4.4855 4.7649 4.7649 4.7676 4.7676 5.3777 5.3777 5.4112 5.4112 5.9380 5.9380 5.9657 5.9657 6.2123 6.2123 6.2274 6.2274 6.6670 6.6670 6.6776 6.6776 8.3792 8.3792 8.4010 8.4010 8.8933 8.8933 8.8973 8.8973 9.9949 9.9949 10.0141 10.0141 14.4752 14.4752 14.4765 14.4765 k = 0.1778-0.0000 0.3049 ( 3390 PWs) bands (ev): -5.9634 -5.9634 -5.9632 -5.9632 -2.8966 -2.8966 -2.8951 -2.8951 2.5581 2.5581 2.5662 2.5662 3.9083 3.9083 3.9277 3.9277 4.4319 4.4319 4.4496 4.4496 4.7546 4.7546 4.7635 4.7635 5.3939 5.3939 5.4291 5.4291 5.9282 5.9282 5.9544 5.9544 6.2008 6.2008 6.2169 6.2169 6.6644 6.6644 6.6738 6.6738 8.3928 8.3928 8.4164 8.4164 8.8157 8.8157 8.8177 8.8177 10.0089 10.0089 10.0270 10.0270 14.4396 14.4396 14.4416 14.4416 k = 0.1889-0.0000 0.3049 ( 3398 PWs) bands (ev): -5.9424 -5.9424 -5.9422 -5.9422 -2.8973 -2.8973 -2.8958 -2.8958 2.5753 2.5753 2.5843 2.5843 3.8721 3.8721 3.8919 3.8919 4.4047 4.4047 4.4181 4.4181 4.7504 4.7504 4.7642 4.7642 5.4109 5.4109 5.4476 5.4476 5.9183 5.9183 5.9430 5.9430 6.1885 6.1885 6.2057 6.2057 6.6605 6.6605 6.6685 6.6685 8.3936 8.3936 8.4188 8.4188 8.7482 8.7482 8.7484 8.7484 10.0233 10.0233 10.0403 10.0403 14.3936 14.3936 14.3964 14.3964 k = 0.2000-0.0000 0.3049 ( 3388 PWs) bands (ev): -5.9205 -5.9205 -5.9202 -5.9202 -2.8983 -2.8983 -2.8967 -2.8967 2.5921 2.5921 2.6018 2.6018 3.8297 3.8297 3.8495 3.8495 4.3823 4.3823 4.3922 4.3922 4.7512 4.7512 4.7690 4.7690 5.4286 5.4286 5.4668 5.4668 5.9086 5.9086 5.9318 5.9318 6.1755 6.1755 6.1937 6.1937 6.6551 6.6551 6.6618 6.6618 8.3743 8.3743 8.4004 8.4004 8.6974 8.6974 8.6987 8.6987 10.0380 10.0380 10.0538 10.0538 14.3402 14.3402 14.3438 14.3438 k = 0.2111-0.0000 0.3049 ( 3388 PWs) bands (ev): -5.8978 -5.8978 -5.8975 -5.8975 -2.8995 -2.8995 -2.8979 -2.8979 2.6079 2.6079 2.6185 2.6185 3.7823 3.7823 3.8022 3.8022 4.3650 4.3650 4.3720 4.3720 4.7563 4.7563 4.7772 4.7772 5.4466 5.4466 5.4864 5.4864 5.8989 5.8989 5.9206 5.9206 6.1619 6.1619 6.1810 6.1810 6.6483 6.6483 6.6534 6.6534 8.3306 8.3306 8.3559 8.3559 8.6706 8.6706 8.6714 8.6714 10.0529 10.0529 10.0675 10.0675 14.2820 14.2820 14.2865 14.2865 k = 0.2222-0.0000 0.3049 ( 3380 PWs) bands (ev): -5.8744 -5.8744 -5.8741 -5.8741 -2.9011 -2.9011 -2.8994 -2.8994 2.6221 2.6221 2.6337 2.6337 3.7321 3.7321 3.7519 3.7519 4.3522 4.3522 4.3569 4.3569 4.7652 4.7652 4.7883 4.7883 5.4650 5.4650 5.5061 5.5061 5.8892 5.8892 5.9094 5.9094 6.1476 6.1476 6.1677 6.1677 6.6401 6.6401 6.6435 6.6435 8.2664 8.2664 8.2901 8.2901 8.6629 8.6629 8.6635 8.6635 10.0681 10.0681 10.0815 10.0815 14.2209 14.2209 14.2264 14.2264 k = 0.2333-0.0000 0.3049 ( 3388 PWs) bands (ev): -5.8503 -5.8503 -5.8500 -5.8500 -2.9029 -2.9029 -2.9013 -2.9013 2.6342 2.6342 2.6467 2.6467 3.6810 3.6810 3.7010 3.7010 4.3429 4.3429 4.3459 4.3459 4.7772 4.7772 4.8021 4.8021 5.4835 5.4835 5.5259 5.5259 5.8797 5.8797 5.8981 5.8981 6.1326 6.1326 6.1537 6.1537 6.6303 6.6303 6.6319 6.6319 8.1895 8.1895 8.2119 8.2119 8.6656 8.6656 8.6674 8.6674 10.0834 10.0834 10.0956 10.0956 14.1586 14.1586 14.1650 14.1650 k = 0.2444-0.0000 0.3049 ( 3392 PWs) bands (ev): -5.8258 -5.8258 -5.8254 -5.8254 -2.9051 -2.9051 -2.9035 -2.9035 2.6435 2.6435 2.6569 2.6569 3.6313 3.6313 3.6514 3.6514 4.3364 4.3364 4.3381 4.3381 4.7923 4.7923 4.8185 4.8185 5.5020 5.5020 5.5457 5.5457 5.8702 5.8702 5.8869 5.8869 6.1169 6.1169 6.1390 6.1390 6.6187 6.6187 6.6191 6.6191 8.1060 8.1060 8.1277 8.1277 8.6739 8.6739 8.6764 8.6764 10.0989 10.0989 10.1098 10.1098 14.0962 14.0962 14.1037 14.1037 k = 0.2556-0.0000 0.3049 ( 3392 PWs) bands (ev): -5.8008 -5.8008 -5.8004 -5.8004 -2.9076 -2.9076 -2.9060 -2.9060 2.6490 2.6490 2.6632 2.6632 3.5848 3.5848 3.6051 3.6051 4.3319 4.3319 4.3329 4.3329 4.8101 4.8101 4.8371 4.8371 5.5205 5.5205 5.5655 5.5655 5.8610 5.8610 5.8758 5.8758 6.1006 6.1006 6.1239 6.1239 6.6038 6.6038 6.6063 6.6063 8.0194 8.0194 8.0410 8.0410 8.6846 8.6846 8.6872 8.6872 10.1144 10.1144 10.1242 10.1242 14.0347 14.0347 14.0432 14.0432 k = 0.2667-0.0000 0.3049 ( 3388 PWs) bands (ev): -5.7754 -5.7754 -5.7750 -5.7750 -2.9105 -2.9105 -2.9089 -2.9089 2.6500 2.6500 2.6649 2.6649 3.5435 3.5435 3.5639 3.5639 4.3290 4.3290 4.3294 4.3294 4.8303 4.8303 4.8579 4.8579 5.5389 5.5389 5.5850 5.5850 5.8520 5.8520 5.8648 5.8648 6.0838 6.0838 6.1084 6.1084 6.5872 6.5872 6.5920 6.5920 7.9318 7.9318 7.9539 7.9539 8.6959 8.6959 8.6983 8.6983 10.1301 10.1301 10.1386 10.1386 13.9747 13.9747 13.9842 13.9842 k = 0.2778-0.0000 0.3049 ( 3388 PWs) bands (ev): -5.7499 -5.7499 -5.7495 -5.7495 -2.9137 -2.9137 -2.9121 -2.9121 2.6459 2.6459 2.6612 2.6612 3.5088 3.5088 3.5291 3.5291 4.3271 4.3271 4.3273 4.3273 4.8527 4.8527 4.8806 4.8806 5.5571 5.5571 5.6043 5.6043 5.8432 5.8432 5.8538 5.8538 6.0665 6.0665 6.0925 6.0925 6.5689 6.5689 6.5762 6.5762 7.8445 7.8445 7.8673 7.8673 8.7071 8.7071 8.7089 8.7089 10.1457 10.1457 10.1530 10.1530 13.9168 13.9168 13.9273 13.9273 k = 0.2889-0.0000 0.3049 ( 3390 PWs) bands (ev): -5.7243 -5.7243 -5.7238 -5.7238 -2.9173 -2.9173 -2.9157 -2.9157 2.6360 2.6360 2.6515 2.6515 3.4817 3.4817 3.5017 3.5017 4.3260 4.3260 4.3262 4.3262 4.8772 4.8772 4.9052 4.9052 5.5750 5.5750 5.6233 5.6233 5.8347 5.8347 5.8429 5.8429 6.0488 6.0488 6.0763 6.0763 6.5488 6.5488 6.5587 6.5587 7.7581 7.7581 7.7822 7.7822 8.7175 8.7175 8.7186 8.7186 10.1614 10.1614 10.1675 10.1675 13.8613 13.8613 13.8727 13.8727 k = 0.3000-0.0000 0.3049 ( 3390 PWs) bands (ev): -5.6987 -5.6987 -5.6982 -5.6982 -2.9211 -2.9211 -2.9196 -2.9196 2.6204 2.6204 2.6357 2.6357 3.4629 3.4629 3.4823 3.4823 4.3254 4.3254 4.3258 4.3258 4.9035 4.9035 4.9313 4.9313 5.5925 5.5925 5.6417 5.6417 5.8265 5.8265 5.8321 5.8321 6.0308 6.0308 6.0601 6.0601 6.5270 6.5270 6.5397 6.5397 7.6734 7.6734 7.6990 7.6990 8.7269 8.7269 8.7272 8.7272 10.1770 10.1770 10.1819 10.1819 13.8085 13.8085 13.8209 13.8209 k = 0.3111-0.0000 0.3049 ( 3388 PWs) bands (ev): -5.6732 -5.6732 -5.6727 -5.6727 -2.9253 -2.9253 -2.9238 -2.9238 2.5994 2.5994 2.6142 2.6142 3.4522 3.4522 3.4708 3.4708 4.3252 4.3252 4.3259 4.3259 4.9314 4.9314 4.9589 4.9589 5.6095 5.6095 5.6596 5.6596 5.8188 5.8188 5.8216 5.8216 6.0127 6.0127 6.0438 6.0438 6.5035 6.5035 6.5193 6.5193 7.5908 7.5908 7.6182 7.6182 8.7346 8.7346 8.7353 8.7353 10.1924 10.1924 10.1962 10.1962 13.7586 13.7586 13.7719 13.7719 k = 0.3222-0.0000 0.3049 ( 3388 PWs) bands (ev): -5.6481 -5.6481 -5.6475 -5.6475 -2.9298 -2.9298 -2.9283 -2.9283 2.5736 2.5736 2.5877 2.5877 3.4492 3.4492 3.4667 3.4667 4.3251 4.3251 4.3262 4.3262 4.9606 4.9606 4.9878 4.9878 5.6256 5.6256 5.6766 5.6766 5.8115 5.8115 5.8115 5.8115 5.9946 5.9946 6.0278 6.0278 6.4784 6.4784 6.4973 6.4973 7.5107 7.5107 7.5402 7.5402 8.7409 8.7409 8.7426 8.7426 10.2077 10.2077 10.2104 10.2104 13.7117 13.7117 13.7259 13.7259 k = 0.3333-0.0000 0.3049 ( 3388 PWs) bands (ev): -5.6234 -5.6234 -5.6228 -5.6228 -2.9345 -2.9345 -2.9331 -2.9331 2.5440 2.5440 2.5572 2.5572 3.4528 3.4528 3.4692 3.4692 4.3251 4.3251 4.3267 4.3267 4.9911 4.9911 5.0177 5.0177 5.6407 5.6407 5.6925 5.6925 5.8022 5.8022 5.8050 5.8050 5.9768 5.9768 6.0119 6.0119 6.4518 6.4518 6.4741 6.4741 7.4334 7.4334 7.4652 7.4652 8.7460 8.7460 8.7488 8.7488 10.2227 10.2227 10.2244 10.2244 13.6680 13.6680 13.6830 13.6830 k = 0.3444-0.0000 0.3049 ( 3404 PWs) bands (ev): -5.5993 -5.5993 -5.5987 -5.5987 -2.9394 -2.9394 -2.9380 -2.9380 2.5118 2.5118 2.5241 2.5241 3.4620 3.4620 3.4772 3.4772 4.3250 4.3250 4.3272 4.3272 5.0226 5.0226 5.0485 5.0485 5.6539 5.6539 5.7065 5.7065 5.7942 5.7942 5.7996 5.7996 5.9595 5.9595 5.9965 5.9965 6.4237 6.4237 6.4494 6.4494 7.3593 7.3593 7.3936 7.3936 8.7500 8.7500 8.7539 8.7539 10.2374 10.2374 10.2381 10.2381 13.6275 13.6275 13.6433 13.6433 k = 0.3556-0.0000 0.3049 ( 3404 PWs) bands (ev): -5.5760 -5.5760 -5.5753 -5.5753 -2.9444 -2.9444 -2.9431 -2.9431 2.4780 2.4780 2.4894 2.4894 3.4757 3.4757 3.4897 3.4897 4.3249 4.3249 4.3276 4.3276 5.0549 5.0549 5.0800 5.0800 5.6646 5.6646 5.7180 5.7180 5.7884 5.7884 5.7960 5.7960 5.9430 5.9430 5.9816 5.9816 6.3945 6.3945 6.4237 6.4237 7.2887 7.2887 7.3256 7.3256 8.7531 8.7531 8.7581 8.7581 10.2515 10.2515 10.2516 10.2516 13.5901 13.5901 13.6066 13.6066 k = 0.3667-0.0000 0.3049 ( 3400 PWs) bands (ev): -5.5535 -5.5535 -5.5528 -5.5528 -2.9495 -2.9495 -2.9482 -2.9482 2.4438 2.4438 2.4542 2.4542 3.4926 3.4926 3.5056 3.5056 4.3245 4.3245 4.3279 4.3279 5.0878 5.0878 5.1120 5.1120 5.6717 5.6717 5.7256 5.7256 5.7860 5.7860 5.7951 5.7951 5.9279 5.9279 5.9675 5.9675 6.3643 6.3643 6.3971 6.3971 7.2218 7.2218 7.2615 7.2615 8.7553 8.7553 8.7614 8.7614 10.2644 10.2644 10.2654 10.2654 13.5559 13.5559 13.5731 13.5731 k = 0.3778-0.0000 0.3049 ( 3394 PWs) bands (ev): -5.5321 -5.5321 -5.5313 -5.5313 -2.9546 -2.9546 -2.9534 -2.9534 2.4099 2.4099 2.4195 2.4195 3.5120 3.5120 3.5239 3.5239 4.3239 4.3239 4.3279 4.3279 5.1210 5.1210 5.1442 5.1442 5.6742 5.6742 5.7285 5.7285 5.7876 5.7876 5.7970 5.7970 5.9149 5.9149 5.9542 5.9542 6.3334 6.3334 6.3697 6.3697 7.1589 7.1589 7.2013 7.2013 8.7568 8.7568 8.7639 8.7639 10.2768 10.2768 10.2785 10.2785 13.5248 13.5248 13.5427 13.5427 k = 0.3889-0.0000 0.3049 ( 3402 PWs) bands (ev): -5.5120 -5.5120 -5.5111 -5.5111 -2.9597 -2.9597 -2.9585 -2.9585 2.3771 2.3771 2.3859 2.3859 3.5328 3.5328 3.5438 3.5438 4.3230 4.3230 4.3276 4.3276 5.1543 5.1543 5.1764 5.1764 5.6721 5.6721 5.7269 5.7269 5.7931 5.7931 5.8005 5.8005 5.9048 5.9048 5.9420 5.9420 6.3021 6.3021 6.3417 6.3417 7.1002 7.1002 7.1454 7.1454 8.7577 8.7577 8.7657 8.7657 10.2885 10.2885 10.2910 10.2910 13.4968 13.4968 13.5153 13.5153 k = 0.4000-0.0000 0.3049 ( 3402 PWs) bands (ev): -5.4931 -5.4931 -5.4922 -5.4922 -2.9646 -2.9646 -2.9635 -2.9635 2.3460 2.3460 2.3542 2.3542 3.5542 3.5542 3.5645 3.5645 4.3218 4.3218 4.3269 4.3269 5.1875 5.1875 5.2083 5.2083 5.6665 5.6665 5.7223 5.7223 5.8011 5.8011 5.8032 5.8032 5.8990 5.8990 5.9316 5.9316 6.2708 6.2708 6.3135 6.3135 7.0459 7.0459 7.0939 7.0939 8.7581 8.7581 8.7670 8.7670 10.2995 10.2995 10.3026 10.3026 13.4718 13.4718 13.4908 13.4908 k = 0.4111-0.0000 0.3049 ( 3402 PWs) bands (ev): -5.4758 -5.4758 -5.4749 -5.4749 -2.9692 -2.9692 -2.9682 -2.9682 2.3171 2.3171 2.3247 2.3247 3.5756 3.5756 3.5853 3.5853 4.3202 4.3202 4.3260 4.3260 5.2202 5.2202 5.2397 5.2397 5.6585 5.6585 5.7156 5.7156 5.8030 5.8030 5.8098 5.8098 5.8984 5.8984 5.9236 5.9236 6.2399 6.2399 6.2853 6.2853 6.9965 6.9965 7.0469 7.0469 8.7581 8.7581 8.7679 8.7679 10.3097 10.3097 10.3133 10.3133 13.4497 13.4497 13.4692 13.4692 k = 0.4222-0.0000 0.3049 ( 3402 PWs) bands (ev): -5.4602 -5.4602 -5.4592 -5.4592 -2.9736 -2.9736 -2.9726 -2.9726 2.2909 2.2909 2.2980 2.2980 3.5964 3.5964 3.6054 3.6054 4.3184 4.3184 4.3247 4.3247 5.2520 5.2520 5.2700 5.2700 5.6494 5.6494 5.7076 5.7076 5.7996 5.7996 5.8168 5.8168 5.9029 5.9029 5.9194 5.9194 6.2100 6.2100 6.2575 6.2575 6.9519 6.9519 7.0047 7.0047 8.7578 8.7578 8.7683 8.7683 10.3189 10.3189 10.3231 10.3231 13.4304 13.4304 13.4504 13.4504 k = 0.4333-0.0000 0.3049 ( 3412 PWs) bands (ev): -5.4463 -5.4463 -5.4453 -5.4453 -2.9776 -2.9776 -2.9766 -2.9766 2.2676 2.2676 2.2742 2.2742 3.6158 3.6158 3.6244 3.6244 4.3164 4.3164 4.3232 4.3232 5.2825 5.2825 5.2989 5.2989 5.6397 5.6397 5.6987 5.6987 5.7939 5.7939 5.8205 5.8205 5.9110 5.9110 5.9201 5.9201 6.1814 6.1814 6.2304 6.2304 6.9126 6.9126 6.9675 6.9675 8.7573 8.7573 8.7686 8.7686 10.3271 10.3271 10.3317 10.3317 13.4139 13.4139 13.4343 13.4343 k = 0.4444-0.0000 0.3049 ( 3416 PWs) bands (ev): -5.4343 -5.4343 -5.4333 -5.4333 -2.9811 -2.9811 -2.9802 -2.9802 2.2475 2.2475 2.2538 2.2538 3.6334 3.6334 3.6415 3.6415 4.3144 4.3144 4.3216 4.3216 5.3110 5.3110 5.3259 5.3259 5.6300 5.6300 5.6895 5.6895 5.7872 5.7872 5.8201 5.8201 5.9212 5.9212 5.9262 5.9262 6.1547 6.1547 6.2045 6.2045 6.8788 6.8788 6.9354 6.9354 8.7568 8.7568 8.7686 8.7686 10.3342 10.3342 10.3391 10.3391 13.4001 13.4001 13.4208 13.4208 k = 0.4556-0.0000 0.3049 ( 3416 PWs) bands (ev): -5.4244 -5.4244 -5.4233 -5.4233 -2.9841 -2.9841 -2.9832 -2.9832 2.2308 2.2308 2.2368 2.2368 3.6486 3.6486 3.6564 3.6564 4.3124 4.3124 4.3200 4.3200 5.3369 5.3369 5.3502 5.3502 5.6209 5.6209 5.6803 5.6803 5.7805 5.7805 5.8166 5.8166 5.9323 5.9323 5.9362 5.9362 6.1305 6.1305 6.1804 6.1804 6.8507 6.8507 6.9088 6.9088 8.7562 8.7562 8.7685 8.7685 10.3401 10.3401 10.3453 10.3453 13.3890 13.3890 13.4099 13.4099 k = 0.4667-0.0000 0.3049 ( 3408 PWs) bands (ev): -5.4165 -5.4165 -5.4155 -5.4155 -2.9864 -2.9864 -2.9856 -2.9856 2.2177 2.2177 2.2235 2.2235 3.6609 3.6609 3.6686 3.6686 4.3107 4.3107 4.3185 4.3185 5.3590 5.3590 5.3709 5.3709 5.6128 5.6128 5.6717 5.6717 5.7747 5.7747 5.8119 5.8119 5.9433 5.9433 5.9481 5.9481 6.1094 6.1094 6.1589 6.1589 6.8286 6.8286 6.8879 6.8879 8.7558 8.7558 8.7684 8.7684 10.3448 10.3448 10.3502 10.3502 13.3803 13.3803 13.4015 13.4015 k = 0.4778-0.0000 0.3049 ( 3400 PWs) bands (ev): -5.4109 -5.4109 -5.4098 -5.4098 -2.9882 -2.9882 -2.9874 -2.9874 2.2082 2.2082 2.2139 2.2139 3.6701 3.6701 3.6775 3.6775 4.3094 4.3094 4.3174 4.3174 5.3763 5.3763 5.3870 5.3870 5.6063 5.6063 5.6644 5.6644 5.7703 5.7703 5.8075 5.8075 5.9530 5.9530 5.9595 5.9595 6.0926 6.0926 6.1413 6.1413 6.8127 6.8127 6.8727 6.8727 8.7554 8.7554 8.7683 8.7683 10.3482 10.3482 10.3538 10.3538 13.3742 13.3742 13.3956 13.3956 k = 0.4889-0.0000 0.3049 ( 3404 PWs) bands (ev): -5.4074 -5.4074 -5.4064 -5.4064 -2.9892 -2.9892 -2.9884 -2.9884 2.2025 2.2025 2.2081 2.2081 3.6757 3.6757 3.6830 3.6830 4.3085 4.3085 4.3167 4.3167 5.3873 5.3873 5.3974 5.3974 5.6019 5.6019 5.6594 5.6594 5.7674 5.7674 5.8043 5.8043 5.9601 5.9601 5.9680 5.9680 6.0813 6.0813 6.1292 6.1292 6.8030 6.8030 6.8635 6.8635 8.7551 8.7551 8.7682 8.7682 10.3503 10.3503 10.3559 10.3559 13.3706 13.3706 13.3920 13.3920 k = 0.5000-0.0000 0.3049 ( 3404 PWs) bands (ev): -5.4063 -5.4063 -5.4052 -5.4052 -2.9896 -2.9896 -2.9888 -2.9888 2.2006 2.2006 2.2061 2.2061 3.6776 3.6776 3.6849 3.6849 4.3082 4.3082 4.3164 4.3164 5.3912 5.3912 5.4009 5.4009 5.6004 5.6004 5.6577 5.6577 5.7664 5.7664 5.8031 5.8031 5.9627 5.9627 5.9712 5.9712 6.0773 6.0773 6.1249 6.1249 6.7997 6.7997 6.8604 6.8604 8.7550 8.7550 8.7682 8.7682 10.3509 10.3509 10.3566 10.3566 13.3693 13.3693 13.3908 13.3908 k = 0.5000-0.0000 0.3049 ( 3404 PWs) bands (ev): -5.4063 -5.4063 -5.4052 -5.4052 -2.9896 -2.9896 -2.9888 -2.9888 2.2006 2.2006 2.2061 2.2061 3.6776 3.6776 3.6849 3.6849 4.3082 4.3082 4.3164 4.3164 5.3912 5.3912 5.4009 5.4009 5.6004 5.6004 5.6577 5.6577 5.7664 5.7664 5.8031 5.8031 5.9627 5.9627 5.9712 5.9712 6.0773 6.0773 6.1249 6.1249 6.7997 6.7997 6.8604 6.8604 8.7550 8.7550 8.7682 8.7682 10.3509 10.3509 10.3566 10.3566 13.3693 13.3693 13.3908 13.3908 k = 0.5000 0.0112 0.3049 ( 3400 PWs) bands (ev): -5.4057 -5.4057 -5.4046 -5.4046 -2.9903 -2.9903 -2.9895 -2.9895 2.1986 2.1986 2.2040 2.2040 3.6809 3.6809 3.6882 3.6882 4.3067 4.3067 4.3149 4.3149 5.3832 5.3832 5.3900 5.3900 5.6091 5.6091 5.6633 5.6633 5.7663 5.7663 5.8036 5.8036 5.9625 5.9625 5.9706 5.9706 6.0780 6.0780 6.1250 6.1250 6.8026 6.8026 6.8630 6.8630 8.7575 8.7575 8.7706 8.7706 10.3513 10.3513 10.3569 10.3569 13.3656 13.3656 13.3869 13.3869 k = 0.5000 0.0223 0.3049 ( 3400 PWs) bands (ev): -5.4039 -5.4039 -5.4028 -5.4028 -2.9925 -2.9925 -2.9918 -2.9918 2.1925 2.1925 2.1978 2.1978 3.6909 3.6909 3.6979 3.6979 4.3020 4.3020 4.3102 4.3102 5.3612 5.3612 5.3620 5.3620 5.6306 5.6306 5.6780 5.6780 5.7658 5.7658 5.8048 5.8048 5.9622 5.9622 5.9687 5.9687 6.0799 6.0799 6.1252 6.1252 6.8112 6.8112 6.8707 6.8707 8.7649 8.7649 8.7777 8.7777 10.3524 10.3524 10.3578 10.3578 13.3547 13.3547 13.3755 13.3755 k = 0.5000 0.0335 0.3049 ( 3396 PWs) bands (ev): -5.4009 -5.4009 -5.3998 -5.3998 -2.9962 -2.9962 -2.9955 -2.9955 2.1827 2.1827 2.1878 2.1878 3.7070 3.7070 3.7135 3.7135 4.2943 4.2943 4.3023 4.3023 5.3244 5.3244 5.3296 5.3296 5.6575 5.6575 5.6977 5.6977 5.7654 5.7654 5.8071 5.8071 5.9619 5.9619 5.9657 5.9657 6.0830 6.0830 6.1257 6.1257 6.8254 6.8254 6.8835 6.8835 8.7769 8.7769 8.7894 8.7894 10.3541 10.3541 10.3592 10.3592 13.3371 13.3371 13.3572 13.3572 k = 0.5000 0.0447 0.3049 ( 3400 PWs) bands (ev): -5.3968 -5.3968 -5.3957 -5.3957 -3.0014 -3.0014 -3.0007 -3.0007 2.1697 2.1697 2.1744 2.1744 3.7285 3.7285 3.7343 3.7343 4.2835 4.2835 4.2912 4.2912 5.2821 5.2821 5.2922 5.2922 5.6847 5.6847 5.7178 5.7178 5.7657 5.7657 5.8106 5.8106 5.9620 5.9620 5.9620 5.9620 6.0869 6.0869 6.1263 6.1263 6.8449 6.8449 6.9011 6.9011 8.7932 8.7932 8.8051 8.8051 10.3564 10.3564 10.3611 10.3611 13.3137 13.3137 13.3329 13.3329 k = 0.5000 0.0558 0.3049 ( 3392 PWs) bands (ev): -5.3915 -5.3915 -5.3904 -5.3904 -3.0080 -3.0080 -3.0073 -3.0073 2.1540 2.1540 2.1584 2.1584 3.7544 3.7544 3.7593 3.7593 4.2698 4.2698 4.2771 4.2771 5.2380 5.2380 5.2519 5.2519 5.7094 5.7094 5.7333 5.7333 5.7702 5.7702 5.8162 5.8162 5.9580 5.9580 5.9628 5.9628 6.0916 6.0916 6.1271 6.1271 6.8695 6.8695 6.9236 6.9236 8.8131 8.8131 8.8244 8.8244 10.3593 10.3593 10.3633 10.3633 13.2859 13.2859 13.3039 13.3039 k = 0.5000 0.0670 0.3049 ( 3392 PWs) bands (ev): -5.3850 -5.3850 -5.3839 -5.3839 -3.0160 -3.0160 -3.0153 -3.0153 2.1362 2.1362 2.1403 2.1403 3.7833 3.7833 3.7869 3.7869 4.2536 4.2536 4.2600 4.2600 5.1939 5.1939 5.2107 5.2107 5.7293 5.7293 5.7387 5.7387 5.7827 5.7827 5.8247 5.8247 5.9540 5.9540 5.9644 5.9644 6.0968 6.0968 6.1280 6.1280 6.8990 6.8990 6.9505 6.9505 8.8361 8.8361 8.8465 8.8465 10.3624 10.3624 10.3658 10.3658 13.2549 13.2549 13.2716 13.2716 k = 0.5000 0.0782 0.3049 ( 3396 PWs) bands (ev): -5.3774 -5.3774 -5.3764 -5.3764 -3.0254 -3.0254 -3.0248 -3.0248 2.1172 2.1172 2.1208 2.1208 3.8135 3.8135 3.8154 3.8154 4.2357 4.2357 4.2408 4.2408 5.1511 5.1511 5.1701 5.1701 5.7367 5.7367 5.7430 5.7430 5.8003 5.8003 5.8369 5.8369 5.9504 5.9504 5.9669 5.9669 6.1022 6.1022 6.1292 6.1292 6.9328 6.9328 6.9819 6.9819 8.8615 8.8615 8.8709 8.8709 10.3657 10.3657 10.3682 10.3682 13.2223 13.2223 13.2376 13.2376 k = 0.5000 0.0893 0.3049 ( 3404 PWs) bands (ev): -5.3688 -5.3688 -5.3678 -5.3678 -3.0362 -3.0362 -3.0356 -3.0356 2.0975 2.0975 2.1006 2.1006 3.8419 3.8419 3.8424 3.8424 4.2178 4.2178 4.2208 4.2208 5.1106 5.1106 5.1312 5.1312 5.7315 5.7315 5.7505 5.7505 5.8187 5.8187 5.8524 5.8524 5.9475 5.9475 5.9702 5.9702 6.1078 6.1078 6.1306 6.1306 6.9710 6.9710 7.0173 7.0173 8.8883 8.8883 8.8967 8.8967 10.3688 10.3688 10.3704 10.3704 13.1895 13.1895 13.2034 13.2034 k = 0.5000 0.1005 0.3049 ( 3400 PWs) bands (ev): -5.3592 -5.3592 -5.3581 -5.3581 -3.0483 -3.0483 -3.0477 -3.0477 2.0777 2.0777 2.0804 2.0804 3.8626 3.8626 3.8662 3.8662 4.2030 4.2030 4.2031 4.2031 5.0732 5.0732 5.0949 5.0949 5.7246 5.7246 5.7532 5.7532 5.8368 5.8368 5.8697 5.8697 5.9458 5.9458 5.9741 5.9741 6.1136 6.1136 6.1323 6.1323 7.0130 7.0130 7.0568 7.0568 8.9159 8.9159 8.9231 8.9231 10.3714 10.3714 10.3720 10.3720 13.1581 13.1581 13.1705 13.1705 k = 0.5000 0.1117 0.3049 ( 3400 PWs) bands (ev): -5.3485 -5.3485 -5.3475 -5.3475 -3.0616 -3.0616 -3.0611 -3.0611 2.0585 2.0585 2.0607 2.0607 3.8723 3.8723 3.8797 3.8797 4.1920 4.1920 4.1956 4.1956 5.0393 5.0393 5.0617 5.0617 5.7168 5.7168 5.7525 5.7525 5.8543 5.8543 5.8875 5.8875 5.9453 5.9453 5.9784 5.9784 6.1195 6.1195 6.1343 6.1343 7.0588 7.0588 7.1000 7.1000 8.9434 8.9434 8.9493 8.9493 10.3726 10.3726 10.3731 10.3731 13.1295 13.1295 13.1406 13.1406 k = 0.5000 0.1228 0.3049 ( 3404 PWs) bands (ev): -5.3370 -5.3370 -5.3359 -5.3359 -3.0761 -3.0761 -3.0757 -3.0757 2.0402 2.0402 2.0420 2.0420 3.8664 3.8664 3.8772 3.8772 4.1927 4.1927 4.1998 4.1998 5.0094 5.0094 5.0321 5.0321 5.7083 5.7083 5.7494 5.7494 5.8709 5.8709 5.9039 5.9039 5.9468 5.9468 5.9829 5.9829 6.1253 6.1253 6.1367 6.1367 7.1080 7.1080 7.1467 7.1467 8.9699 8.9699 8.9745 8.9745 10.3717 10.3717 10.3732 10.3732 13.1052 13.1052 13.1150 13.1150 k = 0.5000 0.1340 0.3049 ( 3404 PWs) bands (ev): -5.3245 -5.3245 -5.3235 -5.3235 -3.0918 -3.0918 -3.0914 -3.0914 2.0235 2.0235 2.0249 2.0249 3.8435 3.8435 3.8565 3.8565 4.2072 4.2072 4.2167 4.2167 4.9834 4.9834 5.0061 5.0061 5.6995 5.6995 5.7447 5.7447 5.8867 5.8867 5.9169 5.9169 5.9519 5.9519 5.9877 5.9877 6.1312 6.1312 6.1396 6.1396 7.1604 7.1604 7.1967 7.1967 8.9949 8.9949 8.9982 8.9982 10.3687 10.3687 10.3713 10.3713 13.0866 13.0866 13.0951 13.0951 k = 0.5000 0.1452 0.3049 ( 3408 PWs) bands (ev): -5.3113 -5.3113 -5.3103 -5.3103 -3.1085 -3.1085 -3.1082 -3.1082 2.0086 2.0086 2.0096 2.0096 3.8058 3.8058 3.8197 3.8197 4.2332 4.2332 4.2438 4.2438 4.9613 4.9613 4.9838 4.9838 5.6907 5.6907 5.7390 5.7390 5.9014 5.9014 5.9244 5.9244 5.9620 5.9620 5.9928 5.9928 6.1371 6.1371 6.1432 6.1432 7.2158 7.2158 7.2499 7.2499 9.0177 9.0177 9.0196 9.0196 10.3630 10.3630 10.3667 10.3667 13.0747 13.0747 13.0821 13.0821 k = 0.5000 0.1563 0.3049 ( 3404 PWs) bands (ev): -5.2973 -5.2973 -5.2963 -5.2963 -3.1262 -3.1262 -3.1259 -3.1259 1.9960 1.9960 1.9965 1.9965 3.7572 3.7572 3.7710 3.7710 4.2666 4.2666 4.2775 4.2775 4.9429 4.9429 4.9650 4.9650 5.6821 5.6821 5.7327 5.7327 5.9146 5.9146 5.9275 5.9275 5.9759 5.9759 5.9986 5.9986 6.1432 6.1432 6.1475 6.1475 7.2742 7.2742 7.3060 7.3060 9.0378 9.0378 9.0384 9.0384 10.3542 10.3542 10.3588 10.3588 13.0707 13.0707 13.0771 13.0771 k = 0.5000 0.1675 0.3049 ( 3400 PWs) bands (ev): -5.2827 -5.2827 -5.2817 -5.2817 -3.1447 -3.1447 -3.1444 -3.1444 1.9858 1.9858 1.9860 1.9860 3.7005 3.7005 3.7139 3.7139 4.3040 4.3040 4.3147 4.3147 4.9279 4.9279 4.9496 4.9496 5.6738 5.6738 5.7261 5.7261 5.9257 5.9257 5.9280 5.9280 5.9912 5.9912 6.0054 6.0054 6.1496 6.1496 6.1528 6.1528 7.3351 7.3351 7.3649 7.3649 9.0542 9.0542 9.0549 9.0549 10.3414 10.3414 10.3469 10.3469 13.0753 13.0753 13.0809 13.0809 k = 0.5000 0.1787 0.3049 ( 3400 PWs) bands (ev): -5.2676 -5.2676 -5.2666 -5.2666 -3.1639 -3.1639 -3.1637 -3.1637 1.9782 1.9782 1.9784 1.9784 3.6382 3.6382 3.6510 3.6510 4.3430 4.3430 4.3534 4.3534 4.9161 4.9161 4.9371 4.9371 5.6660 5.6660 5.7196 5.7196 5.9271 5.9271 5.9341 5.9341 6.0064 6.0064 6.0136 6.0136 6.1564 6.1564 6.1592 6.1592 7.3985 7.3985 7.4263 7.4263 9.0667 9.0667 9.0687 9.0687 10.3244 10.3244 10.3306 10.3306 13.0890 13.0890 13.0940 13.0940 k = 0.5000 0.1899 0.3049 ( 3392 PWs) bands (ev): -5.2519 -5.2519 -5.2510 -5.2510 -3.1837 -3.1837 -3.1836 -3.1836 1.9734 1.9734 1.9740 1.9740 3.5718 3.5718 3.5839 3.5839 4.3822 4.3822 4.3922 4.3922 4.9072 4.9072 4.9275 4.9275 5.6590 5.6590 5.7134 5.7134 5.9251 5.9251 5.9396 5.9396 6.0207 6.0207 6.0231 6.0231 6.1641 6.1641 6.1672 6.1672 7.4641 7.4641 7.4900 7.4900 9.0760 9.0760 9.0791 9.0791 10.3028 10.3028 10.3095 10.3095 13.1123 13.1123 13.1167 13.1167 k = 0.5000 0.2010 0.3049 ( 3388 PWs) bands (ev): -5.2360 -5.2360 -5.2351 -5.2351 -3.2039 -3.2039 -3.2038 -3.2038 1.9716 1.9716 1.9726 1.9726 3.5024 3.5024 3.5139 3.5139 4.4204 4.4204 4.4300 4.4300 4.9008 4.9008 4.9203 4.9203 5.6527 5.6527 5.7076 5.7076 5.9221 5.9221 5.9424 5.9424 6.0335 6.0335 6.0339 6.0339 6.1727 6.1727 6.1767 6.1767 7.5317 7.5317 7.5558 7.5558 9.0820 9.0820 9.0861 9.0861 10.2763 10.2763 10.2835 10.2835 13.1449 13.1449 13.1489 13.1489 k = 0.5000 0.2122 0.3049 ( 3388 PWs) bands (ev): -5.2199 -5.2199 -5.2190 -5.2190 -3.2245 -3.2245 -3.2244 -3.2244 1.9732 1.9732 1.9745 1.9745 3.4311 3.4311 3.4419 3.4419 4.4570 4.4570 4.4661 4.4661 4.8967 4.8967 4.9155 4.9155 5.6472 5.6472 5.7024 5.7024 5.9182 5.9182 5.9429 5.9429 6.0440 6.0440 6.0454 6.0454 6.1826 6.1826 6.1880 6.1880 7.6010 7.6010 7.6233 7.6233 9.0849 9.0849 9.0899 9.0899 10.2449 10.2449 10.2524 10.2524 13.1865 13.1865 13.1902 13.1902 k = 0.5000 0.2234 0.3049 ( 3384 PWs) bands (ev): -5.2036 -5.2036 -5.2028 -5.2028 -3.2451 -3.2451 -3.2450 -3.2450 1.9780 1.9780 1.9797 1.9797 3.3584 3.3584 3.3687 3.3687 4.4914 4.4914 4.5000 4.5000 4.8948 4.8948 4.9127 4.9127 5.6428 5.6428 5.6979 5.6979 5.9136 5.9136 5.9414 5.9414 6.0539 6.0539 6.0553 6.0553 6.1940 6.1940 6.2009 6.2009 7.6719 7.6719 7.6925 7.6925 9.0847 9.0847 9.0905 9.0905 10.2090 10.2090 10.2167 10.2167 13.2364 13.2364 13.2400 13.2400 k = 0.5000 0.2345 0.3049 ( 3380 PWs) bands (ev): -5.1875 -5.1875 -5.1866 -5.1866 -3.2656 -3.2656 -3.2656 -3.2656 1.9863 1.9863 1.9882 1.9882 3.2851 3.2851 3.2948 3.2948 4.5232 4.5232 4.5313 4.5313 4.8948 4.8948 4.9119 4.9119 5.6394 5.6394 5.6941 5.6941 5.9083 5.9083 5.9384 5.9384 6.0627 6.0627 6.0635 6.0635 6.2069 6.2069 6.2153 6.2153 7.7440 7.7440 7.7630 7.7630 9.0818 9.0818 9.0882 9.0882 10.1687 10.1687 10.1765 10.1765 13.2937 13.2937 13.2972 13.2972 k = 0.5000 0.2457 0.3049 ( 3372 PWs) bands (ev): -5.1715 -5.1715 -5.1707 -5.1707 -3.2859 -3.2859 -3.2858 -3.2858 1.9980 1.9980 2.0002 2.0002 3.2116 3.2116 3.2208 3.2208 4.5520 4.5520 4.5596 4.5596 4.8967 4.8967 4.9128 4.9128 5.6371 5.6371 5.6911 5.6911 5.9024 5.9024 5.9342 5.9342 6.0702 6.0702 6.0703 6.0703 6.2212 6.2212 6.2307 6.2307 7.8169 7.8169 7.8343 7.8343 9.0763 9.0763 9.0832 9.0832 10.1247 10.1247 10.1325 10.1325 13.3572 13.3572 13.3606 13.3606 k = 0.5000 0.2569 0.3049 ( 3380 PWs) bands (ev): -5.1559 -5.1559 -5.1552 -5.1552 -3.3057 -3.3057 -3.3056 -3.3056 2.0131 2.0131 2.0156 2.0156 3.1384 3.1384 3.1471 3.1471 4.5777 4.5777 4.5848 4.5848 4.9000 4.9000 4.9152 4.9152 5.6358 5.6358 5.6888 5.6889 5.8959 5.8959 5.9288 5.9288 6.0756 6.0756 6.0764 6.0764 6.2364 6.2364 6.2468 6.2468 7.8903 7.8903 7.9061 7.9061 9.0687 9.0687 9.0760 9.0760 10.0776 10.0776 10.0853 10.0853 13.4254 13.4254 13.4288 13.4288 k = 0.5000 0.2680 0.3049 ( 3380 PWs) bands (ev): -5.1408 -5.1408 -5.1401 -5.1401 -3.3248 -3.3248 -3.3247 -3.3247 2.0317 2.0317 2.0345 2.0345 3.0658 3.0658 3.0741 3.0741 4.6003 4.6003 4.6069 4.6069 4.9047 4.9047 4.9188 4.9188 5.6357 5.6357 5.6873 5.6873 5.8891 5.8891 5.9226 5.9226 6.0801 6.0801 6.0814 6.0814 6.2523 6.2523 6.2631 6.2631 7.9637 7.9637 7.9780 7.9780 9.0591 9.0591 9.0666 9.0666 10.0281 10.0281 10.0357 10.0357 13.4969 13.4969 13.5002 13.5002 k = 0.5000 0.2792 0.3049 ( 3380 PWs) bands (ev): -5.1265 -5.1265 -5.1258 -5.1258 -3.3430 -3.3430 -3.3428 -3.3428 2.0536 2.0536 2.0567 2.0567 2.9943 2.9943 3.0022 3.0022 4.6198 4.6198 4.6258 4.6258 4.9105 4.9105 4.9234 4.9234 5.6366 5.6366 5.6865 5.6865 5.8822 5.8822 5.9158 5.9158 6.0836 6.0836 6.0853 6.0853 6.2683 6.2683 6.2791 6.2791 8.0367 8.0367 8.0495 8.0495 9.0478 9.0478 9.0554 9.0554 9.9773 9.9773 9.9847 9.9847 13.5697 13.5697 13.5730 13.5730 k = 0.5000 0.2904 0.3049 ( 3376 PWs) bands (ev): -5.1130 -5.1130 -5.1124 -5.1124 -3.3600 -3.3600 -3.3598 -3.3598 2.0789 2.0789 2.0822 2.0822 2.9241 2.9241 2.9316 2.9316 4.6363 4.6363 4.6418 4.6418 4.9170 4.9170 4.9286 4.9286 5.6386 5.6386 5.6861 5.6861 5.8754 5.8754 5.9084 5.9084 6.0866 6.0866 6.0884 6.0884 6.2841 6.2841 6.2944 6.2944 8.1085 8.1085 8.1198 8.1198 9.0351 9.0351 9.0427 9.0427 9.9261 9.9261 9.9332 9.9332 13.6422 13.6422 13.6454 13.6454 k = 0.5000 0.3015 0.3049 ( 3376 PWs) bands (ev): -5.1006 -5.1006 -5.1001 -5.1001 -3.3756 -3.3756 -3.3755 -3.3755 2.1074 2.1074 2.1109 2.1109 2.8555 2.8555 2.8627 2.8627 4.6501 4.6501 4.6549 4.6549 4.9238 4.9238 4.9342 4.9342 5.6416 5.6416 5.6861 5.6861 5.8689 5.8689 5.9007 5.9007 6.0889 6.0889 6.0908 6.0908 6.2991 6.2991 6.3087 6.3087 8.1785 8.1785 8.1883 8.1883 9.0212 9.0212 9.0286 9.0286 9.8757 9.8757 9.8824 9.8824 13.7125 13.7125 13.7155 13.7155 k = 0.5000 0.3127 0.3049 ( 3372 PWs) bands (ev): -5.0894 -5.0894 -5.0889 -5.0889 -3.3897 -3.3897 -3.3896 -3.3896 2.1389 2.1389 2.1427 2.1427 2.7890 2.7890 2.7958 2.7958 4.6614 4.6614 4.6656 4.6656 4.9307 4.9307 4.9397 4.9397 5.6454 5.6454 5.6862 5.6862 5.8630 5.8630 5.8928 5.8928 6.0909 6.0909 6.0926 6.0926 6.3130 6.3130 6.3217 6.3217 8.2455 8.2455 8.2539 8.2539 9.0064 9.0064 9.0135 9.0135 9.8274 9.8274 9.8337 9.8337 13.7785 13.7785 13.7813 13.7813 k = 0.5000 0.3239 0.3049 ( 3376 PWs) bands (ev): -5.0796 -5.0796 -5.0792 -5.0792 -3.4020 -3.4020 -3.4019 -3.4019 2.1732 2.1732 2.1772 2.1772 2.7248 2.7248 2.7313 2.7313 4.6705 4.6705 4.6740 4.6740 4.9372 4.9372 4.9448 4.9448 5.6499 5.6499 5.6861 5.6861 5.8579 5.8579 5.8849 5.8849 6.0924 6.0924 6.0940 6.0940 6.3255 6.3255 6.3330 6.3330 8.3085 8.3085 8.3154 8.3154 8.9910 8.9910 8.9975 8.9975 9.7826 9.7826 9.7883 9.7883 13.8385 13.8385 13.8411 13.8411 k = 0.5000 0.3350 0.3049 ( 3380 PWs) bands (ev): -5.0713 -5.0713 -5.0710 -5.0710 -3.4123 -3.4123 -3.4122 -3.4122 2.2099 2.2099 2.2140 2.2140 2.6637 2.6637 2.6698 2.6698 4.6776 4.6776 4.6805 4.6805 4.9431 4.9431 4.9492 4.9492 5.6549 5.6549 5.6855 5.6855 5.8540 5.8540 5.8773 5.8773 6.0936 6.0936 6.0949 6.0949 6.3363 6.3363 6.3424 6.3424 8.3657 8.3657 8.3711 8.3711 8.9755 8.9755 8.9812 8.9812 9.7429 9.7429 9.7478 9.7478 13.8907 13.8907 13.8929 13.8929 k = 0.5000 0.3462 0.3049 ( 3380 PWs) bands (ev): -5.0647 -5.0647 -5.0645 -5.0645 -3.4205 -3.4205 -3.4204 -3.4204 2.2481 2.2481 2.2522 2.2522 2.6065 2.6065 2.6121 2.6121 4.6830 4.6830 4.6852 4.6852 4.9481 4.9481 4.9528 4.9528 5.6603 5.6603 5.6844 5.6844 5.8515 5.8515 5.8701 5.8701 6.0945 6.0945 6.0956 6.0956 6.3451 6.3451 6.3498 6.3498 8.4151 8.4151 8.4191 8.4191 8.9608 8.9608 8.9655 8.9655 9.7100 9.7100 9.7139 9.7139 13.9334 13.9334 13.9352 13.9352 k = 0.5000 0.3574 0.3049 ( 3368 PWs) bands (ev): -5.0599 -5.0599 -5.0598 -5.0598 -3.4265 -3.4265 -3.4264 -3.4264 2.2859 2.2859 2.2897 2.2897 2.5555 2.5555 2.5602 2.5602 4.6869 4.6869 4.6883 4.6883 4.9521 4.9521 4.9552 4.9552 5.6657 5.6657 5.6823 5.6823 5.8507 5.8507 5.8637 5.8637 6.0953 6.0953 6.0960 6.0960 6.3518 6.3518 6.3550 6.3550 8.4540 8.4540 8.4566 8.4566 8.9484 8.9484 8.9517 8.9517 9.6854 9.6854 9.6881 9.6881 13.9652 13.9652 13.9664 13.9664 k = 0.5000 0.3685 0.3049 ( 3368 PWs) bands (ev): -5.0570 -5.0570 -5.0569 -5.0569 -3.4301 -3.4301 -3.4300 -3.4300 2.3186 2.3186 2.3212 2.3212 2.5159 2.5159 2.5191 2.5191 4.6893 4.6893 4.6900 4.6900 4.9549 4.9549 4.9564 4.9564 5.6708 5.6708 5.6793 5.6793 5.8517 5.8517 5.8583 5.8583 6.0958 6.0958 6.0962 6.0962 6.3562 6.3562 6.3578 6.3578 8.4794 8.4794 8.4806 8.4806 8.9400 8.9400 8.9418 8.9418 9.6703 9.6703 9.6718 9.6718 13.9849 13.9849 13.9855 13.9855 k = 0.5000 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.0560 -5.0560 -5.0560 -5.0560 -3.4313 -3.4313 -3.4313 -3.4313 2.3340 2.3340 2.3341 2.3341 2.5006 2.5006 2.5006 2.5006 4.6903 4.6903 4.6903 4.6903 4.9563 4.9563 4.9563 4.9563 5.6754 5.6754 5.6754 5.6754 5.8542 5.8542 5.8542 5.8542 6.0961 6.0961 6.0961 6.0961 6.3582 6.3582 6.3582 6.3582 8.4886 8.4886 8.4886 8.4886 8.9375 8.9375 8.9376 8.9376 9.6657 9.6657 9.6657 9.6657 13.9918 13.9918 13.9918 13.9918 k = 0.5000 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.0560 -5.0560 -5.0560 -5.0560 -3.4313 -3.4313 -3.4313 -3.4313 2.3340 2.3340 2.3341 2.3341 2.5006 2.5006 2.5006 2.5006 4.6903 4.6903 4.6903 4.6903 4.9563 4.9563 4.9563 4.9563 5.6754 5.6754 5.6754 5.6754 5.8542 5.8542 5.8542 5.8542 6.0961 6.0961 6.0961 6.0961 6.3582 6.3582 6.3582 6.3582 8.4886 8.4886 8.4886 8.4886 8.9375 8.9375 8.9376 8.9376 9.6657 9.6657 9.6657 9.6657 13.9918 13.9918 13.9918 13.9918 k = 0.4889 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.0566 -5.0566 -5.0565 -5.0565 -3.4325 -3.4325 -3.4324 -3.4324 2.3358 2.3358 2.3358 2.3358 2.5019 2.5019 2.5019 2.5019 4.6906 4.6906 4.6906 4.6906 4.9568 4.9568 4.9568 4.9568 5.6760 5.6760 5.6760 5.6760 5.8542 5.8542 5.8542 5.8542 6.0960 6.0960 6.0960 6.0960 6.3576 6.3576 6.3576 6.3576 8.4876 8.4876 8.4876 8.4876 8.9369 8.9369 8.9369 8.9369 9.6678 9.6678 9.6679 9.6679 13.9923 13.9923 13.9923 13.9923 k = 0.4778 0.3797 0.3049 ( 3364 PWs) bands (ev): -5.0581 -5.0581 -5.0581 -5.0581 -3.4359 -3.4359 -3.4358 -3.4358 2.3411 2.3411 2.3411 2.3411 2.5061 2.5061 2.5061 2.5061 4.6914 4.6914 4.6914 4.6914 4.9583 4.9583 4.9583 4.9583 5.6779 5.6779 5.6779 5.6779 5.8541 5.8541 5.8541 5.8541 6.0958 6.0958 6.0958 6.0958 6.3557 6.3557 6.3557 6.3557 8.4845 8.4845 8.4845 8.4845 8.9348 8.9348 8.9348 8.9348 9.6742 9.6742 9.6742 9.6742 13.9940 13.9940 13.9941 13.9941 k = 0.4667 0.3797 0.3049 ( 3372 PWs) bands (ev): -5.0608 -5.0608 -5.0607 -5.0607 -3.4416 -3.4416 -3.4415 -3.4415 2.3499 2.3499 2.3499 2.3499 2.5129 2.5129 2.5129 2.5129 4.6929 4.6929 4.6929 4.6929 4.9606 4.9606 4.9606 4.9606 5.6811 5.6811 5.6811 5.6811 5.8539 5.8539 5.8539 5.8539 6.0955 6.0955 6.0955 6.0955 6.3525 6.3525 6.3525 6.3525 8.4794 8.4794 8.4795 8.4795 8.9313 8.9313 8.9314 8.9314 9.6847 9.6847 9.6848 9.6848 13.9969 13.9969 13.9969 13.9969 k = 0.4556 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.0644 -5.0644 -5.0643 -5.0643 -3.4495 -3.4495 -3.4494 -3.4494 2.3620 2.3620 2.3620 2.3620 2.5224 2.5224 2.5224 2.5224 4.6951 4.6951 4.6951 4.6951 4.9639 4.9639 4.9639 4.9639 5.6855 5.6855 5.6855 5.6855 5.8537 5.8537 5.8537 5.8537 6.0950 6.0950 6.0950 6.0950 6.3483 6.3483 6.3483 6.3483 8.4726 8.4726 8.4726 8.4726 8.9265 8.9265 8.9265 8.9265 9.6992 9.6992 9.6992 9.6992 14.0009 14.0009 14.0009 14.0009 k = 0.4444 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.0691 -5.0691 -5.0690 -5.0690 -3.4595 -3.4595 -3.4595 -3.4595 2.3773 2.3773 2.3773 2.3773 2.5346 2.5346 2.5346 2.5346 4.6981 4.6981 4.6981 4.6981 4.9679 4.9679 4.9679 4.9679 5.6912 5.6912 5.6912 5.6912 5.8533 5.8533 5.8533 5.8533 6.0944 6.0944 6.0944 6.0944 6.3431 6.3431 6.3431 6.3431 8.4640 8.4640 8.4640 8.4640 8.9203 8.9203 8.9204 8.9204 9.7174 9.7174 9.7174 9.7174 14.0062 14.0062 14.0062 14.0062 k = 0.4333 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.0747 -5.0747 -5.0746 -5.0746 -3.4716 -3.4716 -3.4716 -3.4716 2.3955 2.3955 2.3955 2.3955 2.5494 2.5494 2.5494 2.5494 4.7022 4.7022 4.7022 4.7022 4.9725 4.9725 4.9726 4.9726 5.6982 5.6982 5.6982 5.6982 5.8528 5.8528 5.8529 5.8529 6.0938 6.0938 6.0938 6.0938 6.3370 6.3370 6.3370 6.3370 8.4539 8.4539 8.4539 8.4539 8.9128 8.9128 8.9128 8.9128 9.7390 9.7390 9.7390 9.7390 14.0126 14.0126 14.0126 14.0126 k = 0.4222 0.3797 0.3049 ( 3372 PWs) bands (ev): -5.0813 -5.0813 -5.0812 -5.0812 -3.4857 -3.4857 -3.4856 -3.4856 2.4164 2.4164 2.4164 2.4164 2.5666 2.5666 2.5666 2.5666 4.7075 4.7075 4.7075 4.7075 4.9777 4.9777 4.9777 4.9777 5.7064 5.7064 5.7064 5.7064 5.8523 5.8523 5.8523 5.8523 6.0932 6.0932 6.0932 6.0932 6.3302 6.3302 6.3302 6.3302 8.4424 8.4424 8.4424 8.4424 8.9040 8.9040 8.9040 8.9040 9.7637 9.7637 9.7638 9.7638 14.0203 14.0203 14.0203 14.0203 k = 0.4111 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.0887 -5.0887 -5.0886 -5.0886 -3.5015 -3.5015 -3.5015 -3.5015 2.4396 2.4396 2.4396 2.4396 2.5864 2.5864 2.5864 2.5864 4.7142 4.7142 4.7142 4.7142 4.9831 4.9831 4.9831 4.9831 5.7159 5.7159 5.7160 5.7160 5.8517 5.8517 5.8517 5.8517 6.0926 6.0926 6.0926 6.0926 6.3231 6.3231 6.3231 6.3231 8.4298 8.4298 8.4298 8.4298 8.8938 8.8938 8.8939 8.8939 9.7913 9.7913 9.7913 9.7913 14.0293 14.0293 14.0293 14.0293 k = 0.4000 0.3797 0.3049 ( 3372 PWs) bands (ev): -5.0970 -5.0970 -5.0970 -5.0970 -3.5191 -3.5191 -3.5191 -3.5191 2.4650 2.4650 2.4650 2.4650 2.6085 2.6085 2.6085 2.6085 4.7227 4.7227 4.7227 4.7227 4.9885 4.9885 4.9885 4.9885 5.7266 5.7266 5.7266 5.7266 5.8509 5.8509 5.8510 5.8510 6.0922 6.0922 6.0922 6.0922 6.3157 6.3157 6.3157 6.3157 8.4162 8.4162 8.4162 8.4162 8.8824 8.8824 8.8824 8.8824 9.8212 9.8212 9.8213 9.8213 14.0396 14.0396 14.0396 14.0396 k = 0.3889 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.1061 -5.1061 -5.1061 -5.1061 -3.5383 -3.5383 -3.5382 -3.5382 2.4920 2.4920 2.4920 2.4920 2.6328 2.6328 2.6328 2.6328 4.7331 4.7331 4.7331 4.7331 4.9938 4.9938 4.9938 4.9938 5.7381 5.7381 5.7381 5.7381 5.8503 5.8503 5.8503 5.8503 6.0919 6.0919 6.0919 6.0919 6.3084 6.3084 6.3084 6.3084 8.4018 8.4018 8.4018 8.4018 8.8698 8.8698 8.8698 8.8698 9.8533 9.8533 9.8533 9.8533 14.0512 14.0512 14.0512 14.0512 k = 0.3778 0.3797 0.3049 ( 3384 PWs) bands (ev): -5.1160 -5.1160 -5.1159 -5.1159 -3.5589 -3.5589 -3.5588 -3.5588 2.5203 2.5203 2.5203 2.5203 2.6593 2.6593 2.6593 2.6593 4.7458 4.7458 4.7458 4.7458 4.9987 4.9987 4.9987 4.9987 5.7502 5.7502 5.7502 5.7502 5.8500 5.8500 5.8500 5.8500 6.0920 6.0920 6.0920 6.0920 6.3017 6.3017 6.3017 6.3017 8.3866 8.3866 8.3866 8.3866 8.8560 8.8560 8.8560 8.8560 9.8871 9.8871 9.8871 9.8871 14.0642 14.0642 14.0642 14.0642 k = 0.3667 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.1265 -5.1265 -5.1264 -5.1264 -3.5807 -3.5807 -3.5807 -3.5807 2.5494 2.5494 2.5494 2.5494 2.6879 2.6879 2.6879 2.6879 4.7610 4.7610 4.7610 4.7610 5.0030 5.0030 5.0030 5.0030 5.7622 5.7622 5.7622 5.7622 5.8503 5.8503 5.8504 5.8504 6.0926 6.0926 6.0927 6.0927 6.2959 6.2959 6.2959 6.2959 8.3709 8.3709 8.3709 8.3709 8.8411 8.8411 8.8411 8.8411 9.9223 9.9223 9.9223 9.9223 14.0785 14.0785 14.0785 14.0785 k = 0.3556 0.3797 0.3049 ( 3384 PWs) bands (ev): -5.1376 -5.1376 -5.1376 -5.1376 -3.6037 -3.6037 -3.6037 -3.6037 2.5790 2.5790 2.5791 2.5791 2.7184 2.7184 2.7184 2.7184 4.7790 4.7790 4.7791 4.7791 5.0064 5.0064 5.0064 5.0064 5.7733 5.7733 5.7733 5.7733 5.8520 5.8520 5.8520 5.8520 6.0940 6.0940 6.0940 6.0940 6.2914 6.2914 6.2914 6.2914 8.3547 8.3547 8.3547 8.3547 8.8252 8.8252 8.8253 8.8253 9.9585 9.9585 9.9586 9.9586 14.0942 14.0942 14.0942 14.0942 k = 0.3444 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.1493 -5.1493 -5.1493 -5.1493 -3.6277 -3.6277 -3.6277 -3.6277 2.6087 2.6087 2.6087 2.6087 2.7507 2.7507 2.7507 2.7507 4.8002 4.8002 4.8002 4.8002 5.0087 5.0087 5.0087 5.0087 5.7821 5.7821 5.7821 5.7821 5.8557 5.8557 5.8557 5.8557 6.0965 6.0965 6.0966 6.0966 6.2887 6.2887 6.2887 6.2887 8.3381 8.3381 8.3381 8.3381 8.8084 8.8084 8.8085 8.8085 9.9956 9.9956 9.9956 9.9956 14.1111 14.1111 14.1111 14.1111 k = 0.3333 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.1615 -5.1615 -5.1615 -5.1615 -3.6525 -3.6525 -3.6525 -3.6525 2.6379 2.6379 2.6380 2.6380 2.7847 2.7847 2.7847 2.7847 4.8247 4.8247 4.8247 4.8247 5.0097 5.0097 5.0097 5.0097 5.7878 5.7878 5.7878 5.7878 5.8619 5.8619 5.8619 5.8619 6.1005 6.1005 6.1005 6.1005 6.2883 6.2883 6.2883 6.2883 8.3211 8.3211 8.3211 8.3211 8.7909 8.7909 8.7909 8.7909 10.0330 10.0330 10.0331 10.0331 14.1293 14.1293 14.1293 14.1293 k = 0.3222 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.1741 -5.1741 -5.1741 -5.1741 -3.6780 -3.6780 -3.6779 -3.6779 2.6664 2.6664 2.6664 2.6664 2.8203 2.8203 2.8203 2.8203 4.8526 4.8526 4.8526 4.8526 5.0092 5.0092 5.0092 5.0092 5.7900 5.7900 5.7900 5.7900 5.8701 5.8701 5.8701 5.8701 6.1062 6.1062 6.1063 6.1063 6.2908 6.2908 6.2908 6.2908 8.3038 8.3038 8.3038 8.3038 8.7726 8.7726 8.7726 8.7726 10.0706 10.0706 10.0707 10.0707 14.1486 14.1486 14.1486 14.1486 k = 0.3111 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.1871 -5.1871 -5.1870 -5.1870 -3.7039 -3.7039 -3.7039 -3.7039 2.6938 2.6938 2.6938 2.6938 2.8573 2.8573 2.8573 2.8573 4.8839 4.8839 4.8839 4.8839 5.0072 5.0072 5.0073 5.0073 5.7894 5.7894 5.7894 5.7894 5.8789 5.8789 5.8790 5.8790 6.1141 6.1141 6.1142 6.1142 6.2971 6.2971 6.2971 6.2971 8.2862 8.2862 8.2862 8.2862 8.7538 8.7538 8.7538 8.7538 10.1081 10.1081 10.1082 10.1082 14.1689 14.1689 14.1689 14.1689 k = 0.3000 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.2003 -5.2003 -5.2003 -5.2003 -3.7303 -3.7303 -3.7302 -3.7302 2.7197 2.7197 2.7197 2.7197 2.8956 2.8956 2.8956 2.8956 4.9182 4.9182 4.9182 4.9182 5.0042 5.0042 5.0042 5.0042 5.7868 5.7868 5.7868 5.7868 5.8872 5.8872 5.8872 5.8872 6.1242 6.1242 6.1242 6.1242 6.3077 6.3077 6.3077 6.3077 8.2682 8.2682 8.2682 8.2682 8.7346 8.7346 8.7346 8.7346 10.1452 10.1452 10.1452 10.1452 14.1900 14.1900 14.1900 14.1900 k = 0.2889 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.2138 -5.2138 -5.2137 -5.2137 -3.7568 -3.7568 -3.7568 -3.7568 2.7438 2.7438 2.7439 2.7439 2.9352 2.9352 2.9352 2.9352 4.9530 4.9530 4.9530 4.9530 5.0023 5.0023 5.0023 5.0023 5.7829 5.7829 5.7829 5.7829 5.8938 5.8938 5.8939 5.8939 6.1362 6.1362 6.1362 6.1362 6.3235 6.3235 6.3235 6.3235 8.2500 8.2500 8.2500 8.2500 8.7152 8.7152 8.7152 8.7152 10.1817 10.1817 10.1817 10.1817 14.2117 14.2117 14.2117 14.2117 k = 0.2778 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.2274 -5.2274 -5.2273 -5.2273 -3.7834 -3.7834 -3.7834 -3.7834 2.7661 2.7661 2.7661 2.7661 2.9758 2.9758 2.9758 2.9758 4.9725 4.9725 4.9725 4.9725 5.0173 5.0173 5.0173 5.0173 5.7780 5.7780 5.7780 5.7780 5.8986 5.8986 5.8986 5.8986 6.1495 6.1495 6.1495 6.1495 6.3451 6.3451 6.3451 6.3451 8.2314 8.2314 8.2314 8.2314 8.6957 8.6957 8.6957 8.6957 10.2172 10.2172 10.2173 10.2173 14.2338 14.2338 14.2338 14.2338 k = 0.2667 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.2410 -5.2410 -5.2410 -5.2410 -3.8100 -3.8100 -3.8100 -3.8100 2.7863 2.7863 2.7863 2.7863 3.0173 3.0173 3.0174 3.0174 4.9682 4.9682 4.9682 4.9682 5.0573 5.0573 5.0573 5.0573 5.7725 5.7725 5.7725 5.7725 5.9015 5.9015 5.9015 5.9015 6.1636 6.1636 6.1636 6.1636 6.3726 6.3726 6.3727 6.3727 8.2123 8.2123 8.2123 8.2123 8.6763 8.6763 8.6763 8.6763 10.2517 10.2517 10.2518 10.2518 14.2559 14.2559 14.2559 14.2559 k = 0.2556 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.2547 -5.2547 -5.2546 -5.2546 -3.8364 -3.8364 -3.8364 -3.8364 2.8043 2.8043 2.8043 2.8043 3.0598 3.0598 3.0598 3.0598 4.9567 4.9567 4.9567 4.9567 5.1054 5.1054 5.1054 5.1054 5.7667 5.7667 5.7668 5.7668 5.9028 5.9028 5.9029 5.9029 6.1783 6.1783 6.1783 6.1783 6.4062 6.4062 6.4062 6.4062 8.1929 8.1929 8.1929 8.1929 8.6573 8.6573 8.6574 8.6574 10.2849 10.2849 10.2850 10.2850 14.2776 14.2776 14.2776 14.2776 k = 0.2444 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.2683 -5.2683 -5.2682 -5.2682 -3.8626 -3.8626 -3.8625 -3.8625 2.8202 2.8202 2.8202 2.8202 3.1030 3.1030 3.1030 3.1030 4.9419 4.9419 4.9419 4.9419 5.1573 5.1573 5.1573 5.1573 5.7608 5.7608 5.7609 5.7609 5.9031 5.9031 5.9031 5.9031 6.1938 6.1938 6.1938 6.1938 6.4451 6.4451 6.4451 6.4451 8.1728 8.1728 8.1729 8.1729 8.6389 8.6389 8.6389 8.6389 10.3167 10.3167 10.3167 10.3167 14.2986 14.2986 14.2986 14.2986 k = 0.2333 0.3797 0.3049 ( 3388 PWs) bands (ev): -5.2818 -5.2818 -5.2817 -5.2817 -3.8883 -3.8883 -3.8882 -3.8882 2.8339 2.8339 2.8339 2.8339 3.1467 3.1467 3.1467 3.1467 4.9244 4.9244 4.9244 4.9244 5.2115 5.2115 5.2115 5.2115 5.7550 5.7550 5.7550 5.7550 5.9027 5.9027 5.9027 5.9027 6.2103 6.2103 6.2103 6.2103 6.4885 6.4885 6.4886 6.4886 8.1522 8.1522 8.1522 8.1522 8.6212 8.6212 8.6212 8.6212 10.3469 10.3469 10.3469 10.3469 14.3183 14.3183 14.3183 14.3183 k = 0.2222 0.3797 0.3049 ( 3388 PWs) bands (ev): -5.2951 -5.2951 -5.2950 -5.2950 -3.9134 -3.9134 -3.9134 -3.9134 2.8455 2.8455 2.8455 2.8455 3.1911 3.1911 3.1911 3.1911 4.9046 4.9046 4.9046 4.9046 5.2672 5.2672 5.2672 5.2672 5.7495 5.7495 5.7495 5.7495 5.9019 5.9019 5.9019 5.9019 6.2283 6.2283 6.2283 6.2283 6.5358 6.5358 6.5358 6.5358 8.1309 8.1309 8.1309 8.1309 8.6046 8.6046 8.6046 8.6046 10.3753 10.3753 10.3754 10.3754 14.3363 14.3363 14.3364 14.3364 k = 0.2111 0.3797 0.3049 ( 3380 PWs) bands (ev): -5.3081 -5.3081 -5.3080 -5.3080 -3.9380 -3.9380 -3.9379 -3.9379 2.8552 2.8552 2.8553 2.8553 3.2359 3.2359 3.2359 3.2359 4.8826 4.8826 4.8826 4.8826 5.3233 5.3233 5.3233 5.3233 5.7445 5.7445 5.7445 5.7445 5.9011 5.9011 5.9011 5.9011 6.2486 6.2486 6.2486 6.2486 6.5859 6.5859 6.5859 6.5859 8.1087 8.1087 8.1088 8.1088 8.5892 8.5892 8.5892 8.5892 10.4020 10.4020 10.4020 10.4020 14.3521 14.3521 14.3522 14.3522 k = 0.2000 0.3797 0.3049 ( 3372 PWs) bands (ev): -5.3208 -5.3208 -5.3208 -5.3208 -3.9618 -3.9618 -3.9617 -3.9617 2.8631 2.8631 2.8631 2.8631 3.2810 3.2810 3.2810 3.2810 4.8587 4.8587 4.8587 4.8587 5.3785 5.3785 5.3785 5.3785 5.7403 5.7403 5.7403 5.7403 5.9005 5.9005 5.9005 5.9005 6.2717 6.2717 6.2718 6.2718 6.6381 6.6381 6.6381 6.6381 8.0857 8.0857 8.0857 8.0857 8.5753 8.5753 8.5753 8.5753 10.4267 10.4267 10.4267 10.4267 14.3652 14.3652 14.3652 14.3652 k = 0.1889 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.3332 -5.3332 -5.3331 -5.3331 -3.9848 -3.9848 -3.9848 -3.9848 2.8693 2.8693 2.8693 2.8693 3.3264 3.3264 3.3264 3.3264 4.8328 4.8328 4.8328 4.8328 5.4315 5.4315 5.4315 5.4315 5.7372 5.7372 5.7372 5.7372 5.9002 5.9002 5.9002 5.9002 6.2984 6.2984 6.2984 6.2984 6.6915 6.6915 6.6916 6.6916 8.0615 8.0615 8.0615 8.0615 8.5631 8.5631 8.5632 8.5632 10.4494 10.4494 10.4495 10.4495 14.3750 14.3750 14.3750 14.3750 k = 0.1778 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.3451 -5.3451 -5.3451 -5.3451 -4.0069 -4.0069 -4.0069 -4.0069 2.8740 2.8740 2.8740 2.8740 3.3720 3.3720 3.3720 3.3720 4.8052 4.8052 4.8052 4.8052 5.4806 5.4806 5.4806 5.4806 5.7359 5.7359 5.7359 5.7359 5.9004 5.9004 5.9004 5.9004 6.3294 6.3294 6.3294 6.3294 6.7455 6.7455 6.7455 6.7455 8.0362 8.0362 8.0362 8.0362 8.5529 8.5529 8.5529 8.5529 10.4702 10.4702 10.4702 10.4702 14.3813 14.3813 14.3813 14.3813 k = 0.1667 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.3566 -5.3566 -5.3566 -5.3566 -4.0281 -4.0281 -4.0280 -4.0280 2.8774 2.8774 2.8775 2.8775 3.4176 3.4176 3.4176 3.4176 4.7760 4.7760 4.7760 4.7760 5.5240 5.5240 5.5240 5.5240 5.7370 5.7370 5.7370 5.7370 5.9013 5.9013 5.9013 5.9013 6.3654 6.3654 6.3654 6.3654 6.7993 6.7993 6.7993 6.7993 8.0096 8.0096 8.0096 8.0096 8.5448 8.5448 8.5449 8.5449 10.4889 10.4889 10.4890 10.4890 14.3836 14.3836 14.3837 14.3837 k = 0.1556 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.3676 -5.3676 -5.3675 -5.3675 -4.0482 -4.0482 -4.0481 -4.0481 2.8797 2.8797 2.8798 2.8798 3.4632 3.4632 3.4632 3.4632 4.7453 4.7453 4.7453 4.7453 5.5600 5.5600 5.5600 5.5600 5.7413 5.7413 5.7413 5.7413 5.9029 5.9029 5.9029 5.9029 6.4069 6.4069 6.4070 6.4070 6.8523 6.8523 6.8523 6.8523 7.9814 7.9814 7.9814 7.9814 8.5391 8.5391 8.5391 8.5391 10.5057 10.5057 10.5057 10.5057 14.3820 14.3820 14.3820 14.3820 k = 0.1444 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.3780 -5.3780 -5.3779 -5.3779 -4.0672 -4.0672 -4.0671 -4.0671 2.8811 2.8811 2.8811 2.8811 3.5086 3.5086 3.5086 3.5086 4.7134 4.7134 4.7134 4.7134 5.5871 5.5871 5.5872 5.5872 5.7495 5.7495 5.7495 5.7495 5.9054 5.9054 5.9054 5.9054 6.4543 6.4543 6.4543 6.4543 6.9037 6.9037 6.9037 6.9037 7.9516 7.9516 7.9516 7.9516 8.5359 8.5359 8.5359 8.5359 10.5205 10.5205 10.5205 10.5205 14.3764 14.3764 14.3764 14.3764 k = 0.1333 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.3878 -5.3878 -5.3877 -5.3877 -4.0850 -4.0850 -4.0850 -4.0850 2.8817 2.8817 2.8817 2.8817 3.5539 3.5539 3.5539 3.5539 4.6805 4.6805 4.6805 4.6805 5.6055 5.6055 5.6055 5.6055 5.7610 5.7610 5.7610 5.7610 5.9087 5.9087 5.9087 5.9087 6.5073 6.5073 6.5073 6.5073 6.9529 6.9529 6.9530 6.9530 7.9199 7.9199 7.9199 7.9199 8.5351 8.5351 8.5352 8.5352 10.5334 10.5334 10.5335 10.5335 14.3670 14.3670 14.3670 14.3670 k = 0.1222 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.3970 -5.3970 -5.3969 -5.3969 -4.1016 -4.1016 -4.1015 -4.1015 2.8816 2.8816 2.8817 2.8817 3.5988 3.5988 3.5988 3.5988 4.6466 4.6466 4.6466 4.6466 5.6166 5.6166 5.6167 5.6167 5.7743 5.7743 5.7744 5.7744 5.9129 5.9129 5.9130 5.9130 6.5658 6.5658 6.5658 6.5658 6.9995 6.9995 6.9995 6.9995 7.8863 7.8863 7.8863 7.8863 8.5369 8.5369 8.5369 8.5369 10.5445 10.5445 10.5446 10.5446 14.3542 14.3542 14.3542 14.3542 k = 0.1111 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.4055 -5.4055 -5.4054 -5.4054 -4.1169 -4.1169 -4.1169 -4.1169 2.8811 2.8811 2.8811 2.8811 3.6431 3.6431 3.6432 3.6432 4.6120 4.6120 4.6120 4.6120 5.6227 5.6227 5.6227 5.6227 5.7876 5.7876 5.7876 5.7876 5.9179 5.9179 5.9179 5.9179 6.6289 6.6289 6.6289 6.6289 7.0429 7.0429 7.0429 7.0429 7.8505 7.8505 7.8505 7.8505 8.5411 8.5411 8.5411 8.5411 10.5539 10.5539 10.5540 10.5540 14.3387 14.3387 14.3387 14.3387 k = 0.1000 0.3797 0.3049 ( 3372 PWs) bands (ev): -5.4132 -5.4132 -5.4132 -5.4132 -4.1309 -4.1309 -4.1308 -4.1308 2.8802 2.8802 2.8802 2.8802 3.6869 3.6869 3.6869 3.6869 4.5770 4.5770 4.5770 4.5770 5.6255 5.6255 5.6255 5.6255 5.7993 5.7993 5.7994 5.7994 5.9234 5.9234 5.9234 5.9234 6.6958 6.6958 6.6959 6.6959 7.0826 7.0826 7.0827 7.0827 7.8123 7.8123 7.8123 7.8123 8.5474 8.5474 8.5474 8.5474 10.5618 10.5618 10.5618 10.5618 14.3211 14.3211 14.3211 14.3211 k = 0.0889 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.4203 -5.4203 -5.4202 -5.4202 -4.1435 -4.1435 -4.1435 -4.1435 2.8791 2.8791 2.8791 2.8791 3.7297 3.7297 3.7297 3.7297 4.5418 4.5418 4.5418 4.5418 5.6265 5.6265 5.6265 5.6265 5.8092 5.8092 5.8092 5.8092 5.9291 5.9291 5.9291 5.9291 6.7658 6.7658 6.7658 6.7658 7.1185 7.1185 7.1185 7.1185 7.7716 7.7716 7.7716 7.7716 8.5555 8.5555 8.5555 8.5555 10.5682 10.5682 10.5682 10.5682 14.3010 14.3010 14.3010 14.3010 k = 0.0778 0.3797 0.3049 ( 3372 PWs) bands (ev): -5.4265 -5.4265 -5.4265 -5.4265 -4.1547 -4.1547 -4.1547 -4.1547 2.8779 2.8779 2.8779 2.8779 3.7712 3.7712 3.7713 3.7713 4.5069 4.5069 4.5069 4.5069 5.6264 5.6264 5.6264 5.6264 5.8171 5.8171 5.8171 5.8171 5.9347 5.9347 5.9347 5.9347 6.8376 6.8376 6.8376 6.8376 7.1502 7.1502 7.1502 7.1502 7.7283 7.7283 7.7283 7.7283 8.5648 8.5648 8.5648 8.5648 10.5733 10.5733 10.5734 10.5734 14.2052 14.2052 14.2052 14.2052 k = 0.0667 0.3797 0.3049 ( 3376 PWs) bands (ev): -5.4320 -5.4320 -5.4320 -5.4320 -4.1645 -4.1645 -4.1645 -4.1645 2.8766 2.8766 2.8766 2.8766 3.8112 3.8112 3.8112 3.8112 4.4725 4.4725 4.4725 4.4725 5.6258 5.6258 5.6258 5.6258 5.8233 5.8233 5.8233 5.8233 5.9399 5.9399 5.9400 5.9400 6.9104 6.9104 6.9104 6.9104 7.1777 7.1777 7.1778 7.1778 7.6822 7.6822 7.6822 7.6822 8.5749 8.5749 8.5749 8.5749 10.5773 10.5773 10.5774 10.5774 14.1132 14.1132 14.1132 14.1132 k = 0.0556 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.4367 -5.4367 -5.4366 -5.4366 -4.1728 -4.1728 -4.1728 -4.1728 2.8754 2.8754 2.8755 2.8755 3.8489 3.8489 3.8489 3.8489 4.4395 4.4395 4.4395 4.4395 5.6249 5.6249 5.6249 5.6249 5.8281 5.8281 5.8281 5.8281 5.9446 5.9446 5.9446 5.9446 6.9833 6.9833 6.9833 6.9833 7.2012 7.2012 7.2012 7.2012 7.6333 7.6333 7.6334 7.6334 8.5850 8.5850 8.5850 8.5850 10.5804 10.5804 10.5805 10.5805 14.0336 14.0336 14.0336 14.0336 k = 0.0444 0.3797 0.3049 ( 3364 PWs) bands (ev): -5.4405 -5.4405 -5.4405 -5.4405 -4.1797 -4.1797 -4.1796 -4.1796 2.8744 2.8744 2.8744 2.8744 3.8835 3.8835 3.8835 3.8835 4.4088 4.4088 4.4088 4.4088 5.6240 5.6240 5.6240 5.6240 5.8316 5.8316 5.8317 5.8317 5.9486 5.9486 5.9486 5.9486 7.0551 7.0551 7.0552 7.0552 7.2208 7.2208 7.2208 7.2208 7.5816 7.5816 7.5816 7.5816 8.5945 8.5945 8.5945 8.5945 10.5827 10.5827 10.5827 10.5827 13.9673 13.9673 13.9673 13.9673 k = 0.0333 0.3797 0.3049 ( 3360 PWs) bands (ev): -5.4435 -5.4435 -5.4435 -5.4435 -4.1850 -4.1850 -4.1850 -4.1850 2.8735 2.8735 2.8736 2.8736 3.9137 3.9137 3.9137 3.9137 4.3815 4.3815 4.3816 4.3816 5.6232 5.6232 5.6232 5.6232 5.8342 5.8342 5.8342 5.8342 5.9517 5.9517 5.9517 5.9517 7.1244 7.1244 7.1244 7.1244 7.2375 7.2375 7.2375 7.2375 7.5271 7.5271 7.5271 7.5271 8.6027 8.6027 8.6027 8.6027 10.5843 10.5843 10.5843 10.5843 13.9150 13.9150 13.9150 13.9150 k = 0.0222 0.3797 0.3049 ( 3360 PWs) bands (ev): -5.4457 -5.4457 -5.4456 -5.4456 -4.1889 -4.1889 -4.1888 -4.1888 2.8729 2.8729 2.8729 2.8729 3.9377 3.9377 3.9377 3.9377 4.3597 4.3597 4.3597 4.3597 5.6225 5.6225 5.6226 5.6226 5.8360 5.8360 5.8360 5.8360 5.9539 5.9539 5.9540 5.9540 7.1863 7.1863 7.1863 7.1863 7.2553 7.2553 7.2554 7.2554 7.4701 7.4701 7.4701 7.4701 8.6090 8.6090 8.6090 8.6090 10.5854 10.5854 10.5854 10.5854 13.8772 13.8772 13.8772 13.8772 k = 0.0111 0.3797 0.3049 ( 3364 PWs) bands (ev): -5.4470 -5.4470 -5.4469 -5.4469 -4.1912 -4.1912 -4.1911 -4.1911 2.8725 2.8725 2.8725 2.8725 3.9534 3.9534 3.9534 3.9534 4.3451 4.3451 4.3451 4.3451 5.6221 5.6221 5.6222 5.6222 5.8370 5.8370 5.8370 5.8370 5.9553 5.9553 5.9553 5.9553 7.2241 7.2241 7.2241 7.2241 7.2898 7.2898 7.2899 7.2899 7.4115 7.4115 7.4116 7.4116 8.6129 8.6129 8.6130 8.6130 10.5860 10.5860 10.5860 10.5860 13.8543 13.8543 13.8544 13.8544 k = 0.0000 0.3797 0.3049 ( 3364 PWs) bands (ev): -5.4474 -5.4474 -5.4474 -5.4474 -4.1919 -4.1919 -4.1919 -4.1919 2.8723 2.8723 2.8723 2.8723 3.9589 3.9589 3.9590 3.9590 4.3400 4.3400 4.3400 4.3400 5.6220 5.6220 5.6220 5.6220 5.8373 5.8373 5.8373 5.8373 5.9557 5.9557 5.9558 5.9558 7.2329 7.2329 7.2329 7.2329 7.3319 7.3319 7.3319 7.3319 7.3653 7.3653 7.3653 7.3653 8.6143 8.6143 8.6143 8.6143 10.5862 10.5862 10.5862 10.5862 13.8467 13.8467 13.8467 13.8467 k = 0.0000 0.3797 0.3049 ( 3364 PWs) bands (ev): -5.4474 -5.4474 -5.4474 -5.4474 -4.1919 -4.1919 -4.1919 -4.1919 2.8723 2.8723 2.8723 2.8723 3.9589 3.9589 3.9590 3.9590 4.3400 4.3400 4.3400 4.3400 5.6220 5.6220 5.6220 5.6220 5.8373 5.8373 5.8373 5.8373 5.9557 5.9557 5.9558 5.9558 7.2329 7.2329 7.2329 7.2329 7.3319 7.3319 7.3319 7.3319 7.3653 7.3653 7.3653 7.3653 8.6143 8.6143 8.6143 8.6143 10.5862 10.5862 10.5862 10.5862 13.8467 13.8467 13.8467 13.8467 k = 0.0000 0.3685 0.3049 ( 3368 PWs) bands (ev): -5.4502 -5.4502 -5.4501 -5.4501 -4.1881 -4.1881 -4.1880 -4.1880 2.8702 2.8702 2.8703 2.8703 3.9613 3.9613 3.9614 3.9614 4.3405 4.3405 4.3405 4.3405 5.6218 5.6218 5.6218 5.6218 5.8369 5.8369 5.8369 5.8369 5.9554 5.9554 5.9554 5.9554 7.2122 7.2122 7.2123 7.2123 7.3215 7.3215 7.3215 7.3215 7.3899 7.3899 7.3899 7.3899 8.6184 8.6184 8.6184 8.6184 10.5855 10.5855 10.5856 10.5856 13.8429 13.8429 13.8429 13.8429 k = 0.0000 0.3574 0.3049 ( 3370 PWs) bands (ev): -5.4582 -5.4582 -5.4582 -5.4582 -4.1767 -4.1767 -4.1766 -4.1766 2.8642 2.8642 2.8642 2.8642 3.9685 3.9685 3.9686 3.9686 4.3421 4.3421 4.3421 4.3421 5.6210 5.6210 5.6210 5.6210 5.8356 5.8356 5.8356 5.8356 5.9545 5.9545 5.9545 5.9545 7.1649 7.1649 7.1649 7.1649 7.3075 7.3075 7.3075 7.3075 7.4320 7.4320 7.4320 7.4320 8.6305 8.6305 8.6305 8.6305 10.5836 10.5836 10.5837 10.5837 13.8330 13.8330 13.8330 13.8330 k = 0.0000 0.3462 0.3049 ( 3370 PWs) bands (ev): -5.4713 -5.4713 -5.4713 -5.4713 -4.1580 -4.1580 -4.1580 -4.1580 2.8543 2.8543 2.8543 2.8543 3.9802 3.9802 3.9802 3.9802 4.3447 4.3447 4.3447 4.3447 5.6197 5.6197 5.6197 5.6197 5.8336 5.8336 5.8336 5.8336 5.9531 5.9531 5.9531 5.9531 7.1066 7.1066 7.1067 7.1067 7.2905 7.2905 7.2905 7.2905 7.4760 7.4760 7.4760 7.4760 8.6502 8.6502 8.6503 8.6503 10.5804 10.5804 10.5804 10.5804 13.8203 13.8203 13.8203 13.8203 k = 0.0000 0.3350 0.3049 ( 3370 PWs) bands (ev): -5.4889 -5.4889 -5.4889 -5.4889 -4.1327 -4.1327 -4.1326 -4.1326 2.8410 2.8410 2.8411 2.8411 3.9959 3.9959 3.9960 3.9960 4.3482 4.3482 4.3482 4.3482 5.6175 5.6175 5.6175 5.6175 5.8309 5.8309 5.8309 5.8309 5.9511 5.9511 5.9511 5.9511 7.0431 7.0431 7.0432 7.0432 7.2692 7.2692 7.2692 7.2692 7.5187 7.5187 7.5187 7.5187 8.6769 8.6769 8.6769 8.6769 10.5754 10.5754 10.5755 10.5755 13.8079 13.8079 13.8079 13.8079 k = 0.0000 0.3239 0.3049 ( 3374 PWs) bands (ev): -5.5104 -5.5104 -5.5104 -5.5104 -4.1013 -4.1013 -4.1013 -4.1013 2.8248 2.8248 2.8248 2.8248 4.0152 4.0152 4.0153 4.0153 4.3527 4.3527 4.3527 4.3527 5.6141 5.6141 5.6141 5.6141 5.8276 5.8276 5.8276 5.8276 5.9487 5.9487 5.9487 5.9487 6.9767 6.9767 6.9767 6.9767 7.2438 7.2438 7.2438 7.2438 7.5590 7.5590 7.5590 7.5590 8.7098 8.7098 8.7098 8.7098 10.5687 10.5687 10.5687 10.5687 13.7982 13.7982 13.7983 13.7983 k = 0.0000 0.3127 0.3049 ( 3374 PWs) bands (ev): -5.5352 -5.5352 -5.5351 -5.5351 -4.0646 -4.0646 -4.0645 -4.0645 2.8060 2.8060 2.8060 2.8060 4.0374 4.0374 4.0374 4.0374 4.3583 4.3583 4.3583 4.3583 5.6092 5.6092 5.6092 5.6092 5.8237 5.8237 5.8237 5.8237 5.9460 5.9460 5.9461 5.9461 6.9085 6.9085 6.9086 6.9086 7.2149 7.2149 7.2149 7.2149 7.5965 7.5965 7.5965 7.5965 8.7481 8.7481 8.7481 8.7481 10.5597 10.5597 10.5597 10.5597 13.7927 13.7927 13.7928 13.7928 k = 0.0000 0.3015 0.3049 ( 3378 PWs) bands (ev): -5.5626 -5.5626 -5.5625 -5.5625 -4.0232 -4.0232 -4.0232 -4.0232 2.7852 2.7852 2.7852 2.7852 4.0619 4.0619 4.0619 4.0619 4.3647 4.3647 4.3647 4.3647 5.6020 5.6020 5.6020 5.6020 5.8194 5.8194 5.8194 5.8194 5.9433 5.9433 5.9433 5.9433 6.8398 6.8398 6.8398 6.8398 7.1832 7.1832 7.1832 7.1832 7.6312 7.6312 7.6313 7.6313 8.7909 8.7909 8.7909 8.7909 10.5483 10.5483 10.5484 10.5484 13.7922 13.7922 13.7922 13.7922 k = 0.0000 0.2904 0.3049 ( 3384 PWs) bands (ev): -5.5920 -5.5920 -5.5919 -5.5919 -3.9779 -3.9779 -3.9779 -3.9779 2.7628 2.7628 2.7628 2.7628 4.0879 4.0879 4.0879 4.0879 4.3722 4.3722 4.3722 4.3722 5.5921 5.5921 5.5921 5.5921 5.8147 5.8147 5.8147 5.8147 5.9407 5.9407 5.9407 5.9407 6.7714 6.7714 6.7714 6.7714 7.1494 7.1494 7.1495 7.1495 7.6633 7.6633 7.6633 7.6633 8.8375 8.8375 8.8375 8.8375 10.5342 10.5342 10.5343 10.5343 13.7970 13.7970 13.7970 13.7970 k = 0.0000 0.2792 0.3049 ( 3388 PWs) bands (ev): -5.6228 -5.6228 -5.6228 -5.6228 -3.9294 -3.9294 -3.9293 -3.9293 2.7393 2.7393 2.7393 2.7393 4.1148 4.1148 4.1149 4.1149 4.3807 4.3807 4.3807 4.3807 5.5788 5.5788 5.5788 5.5788 5.8096 5.8096 5.8096 5.8096 5.9387 5.9387 5.9387 5.9387 6.7044 6.7044 6.7044 6.7044 7.1143 7.1143 7.1143 7.1143 7.6928 7.6928 7.6929 7.6929 8.8872 8.8872 8.8872 8.8872 10.5172 10.5172 10.5173 10.5173 13.8070 13.8070 13.8071 13.8071 k = 0.0000 0.2680 0.3049 ( 3386 PWs) bands (ev): -5.6547 -5.6547 -5.6546 -5.6546 -3.8781 -3.8781 -3.8780 -3.8780 2.7151 2.7151 2.7151 2.7151 4.1420 4.1420 4.1420 4.1420 4.3900 4.3900 4.3901 4.3901 5.5617 5.5617 5.5617 5.5617 5.8040 5.8040 5.8040 5.8040 5.9377 5.9377 5.9377 5.9377 6.6397 6.6397 6.6397 6.6397 7.0783 7.0783 7.0783 7.0783 7.7200 7.7200 7.7200 7.7200 8.9392 8.9392 8.9393 8.9393 10.4972 10.4972 10.4973 10.4973 13.8221 13.8221 13.8222 13.8222 k = 0.0000 0.2569 0.3049 ( 3388 PWs) bands (ev): -5.6870 -5.6870 -5.6870 -5.6870 -3.8247 -3.8247 -3.8246 -3.8246 2.6905 2.6905 2.6905 2.6905 4.1687 4.1687 4.1687 4.1687 4.4003 4.4003 4.4004 4.4004 5.5401 5.5401 5.5401 5.5401 5.7977 5.7977 5.7977 5.7977 5.9382 5.9382 5.9382 5.9382 6.5783 6.5783 6.5783 6.5783 7.0421 7.0421 7.0421 7.0421 7.7451 7.7451 7.7451 7.7451 8.9931 8.9931 8.9932 8.9932 10.4742 10.4742 10.4742 10.4742 13.8417 13.8417 13.8418 13.8418 k = 0.0000 0.2457 0.3049 ( 3382 PWs) bands (ev): -5.7195 -5.7195 -5.7195 -5.7195 -3.7696 -3.7696 -3.7696 -3.7696 2.6659 2.6659 2.6660 2.6660 4.1942 4.1942 4.1943 4.1943 4.4115 4.4115 4.4116 4.4116 5.5141 5.5141 5.5141 5.5141 5.7902 5.7902 5.7902 5.7902 5.9407 5.9407 5.9407 5.9407 6.5210 6.5210 6.5210 6.5210 7.0060 7.0060 7.0060 7.0060 7.7682 7.7682 7.7682 7.7682 9.0483 9.0483 9.0483 9.0483 10.4480 10.4480 10.4481 10.4481 13.8652 13.8652 13.8652 13.8652 k = 0.0000 0.2345 0.3049 ( 3386 PWs) bands (ev): -5.7519 -5.7519 -5.7519 -5.7519 -3.7134 -3.7134 -3.7133 -3.7133 2.6416 2.6416 2.6416 2.6416 4.2180 4.2180 4.2180 4.2180 4.4236 4.4236 4.4236 4.4236 5.4836 5.4836 5.4836 5.4836 5.7813 5.7813 5.7813 5.7813 5.9456 5.9456 5.9456 5.9456 6.4683 6.4683 6.4684 6.4684 6.9705 6.9705 6.9705 6.9705 7.7897 7.7897 7.7897 7.7897 9.1043 9.1043 9.1043 9.1043 10.4189 10.4189 10.4190 10.4190 13.8916 13.8916 13.8916 13.8916 k = 0.0000 0.2234 0.3049 ( 3390 PWs) bands (ev): -5.7839 -5.7839 -5.7838 -5.7838 -3.6564 -3.6564 -3.6563 -3.6563 2.6178 2.6178 2.6178 2.6178 4.2392 4.2392 4.2392 4.2392 4.4364 4.4364 4.4364 4.4364 5.4492 5.4492 5.4492 5.4492 5.7706 5.7706 5.7706 5.7706 5.9529 5.9529 5.9529 5.9529 6.4209 6.4209 6.4209 6.4209 6.9359 6.9359 6.9359 6.9359 7.8096 7.8096 7.8096 7.8096 9.1607 9.1607 9.1607 9.1607 10.3871 10.3871 10.3871 10.3871 13.9201 13.9201 13.9201 13.9201 k = 0.0000 0.2122 0.3049 ( 3394 PWs) bands (ev): -5.8152 -5.8152 -5.8152 -5.8152 -3.5990 -3.5990 -3.5990 -3.5990 2.5946 2.5946 2.5946 2.5946 4.2572 4.2572 4.2573 4.2573 4.4499 4.4499 4.4499 4.4499 5.4116 5.4116 5.4116 5.4116 5.7583 5.7583 5.7583 5.7583 5.9626 5.9626 5.9626 5.9626 6.3790 6.3790 6.3790 6.3790 6.9024 6.9024 6.9025 6.9025 7.8282 7.8282 7.8282 7.8282 9.2170 9.2170 9.2170 9.2170 10.3526 10.3526 10.3527 10.3527 13.9494 13.9494 13.9495 13.9495 k = 0.0000 0.2010 0.3049 ( 3396 PWs) bands (ev): -5.8457 -5.8457 -5.8457 -5.8457 -3.5417 -3.5417 -3.5417 -3.5417 2.5723 2.5723 2.5724 2.5724 4.2715 4.2715 4.2715 4.2715 4.4642 4.4642 4.4642 4.4642 5.3719 5.3719 5.3719 5.3719 5.7442 5.7442 5.7442 5.7442 5.9744 5.9744 5.9744 5.9744 6.3425 6.3425 6.3425 6.3425 6.8704 6.8704 6.8704 6.8704 7.8456 7.8456 7.8456 7.8456 9.2729 9.2729 9.2729 9.2729 10.3160 10.3160 10.3160 10.3160 13.9787 13.9787 13.9787 13.9787 k = 0.0000 0.1899 0.3049 ( 3392 PWs) bands (ev): -5.8752 -5.8752 -5.8752 -5.8752 -3.4848 -3.4848 -3.4848 -3.4848 2.5511 2.5511 2.5511 2.5511 4.2813 4.2813 4.2813 4.2813 4.4789 4.4789 4.4789 4.4789 5.3314 5.3314 5.3314 5.3314 5.7286 5.7286 5.7286 5.7286 5.9879 5.9879 5.9879 5.9879 6.3115 6.3115 6.3115 6.3115 6.8400 6.8400 6.8400 6.8400 7.8621 7.8621 7.8621 7.8621 9.3281 9.3281 9.3281 9.3281 10.2773 10.2773 10.2774 10.2774 14.0068 14.0068 14.0068 14.0068 k = 0.0000 0.1787 0.3049 ( 3396 PWs) bands (ev): -5.9036 -5.9036 -5.9035 -5.9035 -3.4287 -3.4287 -3.4287 -3.4287 2.5310 2.5310 2.5311 2.5311 4.2861 4.2861 4.2861 4.2861 4.4941 4.4941 4.4941 4.4941 5.2914 5.2914 5.2914 5.2914 5.7116 5.7116 5.7117 5.7117 6.0026 6.0026 6.0026 6.0026 6.2857 6.2857 6.2857 6.2857 6.8112 6.8112 6.8113 6.8113 7.8777 7.8777 7.8778 7.8778 9.3821 9.3821 9.3822 9.3822 10.2372 10.2372 10.2372 10.2372 14.0327 14.0327 14.0327 14.0327 k = 0.0000 0.1675 0.3049 ( 3402 PWs) bands (ev): -5.9307 -5.9307 -5.9306 -5.9306 -3.3737 -3.3737 -3.3737 -3.3737 2.5122 2.5122 2.5122 2.5122 4.2855 4.2855 4.2855 4.2855 4.5096 4.5096 4.5096 4.5096 5.2532 5.2532 5.2532 5.2532 5.6934 5.6934 5.6935 5.6935 6.0176 6.0176 6.0177 6.0177 6.2651 6.2651 6.2651 6.2651 6.7843 6.7843 6.7844 6.7844 7.8926 7.8926 7.8926 7.8926 9.4348 9.4348 9.4348 9.4348 10.1958 10.1958 10.1958 10.1958 14.0555 14.0555 14.0556 14.0556 k = 0.0000 0.1563 0.3049 ( 3414 PWs) bands (ev): -5.9564 -5.9564 -5.9563 -5.9563 -3.3202 -3.3202 -3.3202 -3.3202 2.4947 2.4947 2.4947 2.4947 4.2792 4.2792 4.2792 4.2792 4.5254 4.5254 4.5254 4.5254 5.2181 5.2181 5.2181 5.2181 5.6744 5.6744 5.6744 5.6744 6.0323 6.0323 6.0323 6.0323 6.2496 6.2496 6.2496 6.2496 6.7594 6.7594 6.7594 6.7594 7.9068 7.9068 7.9068 7.9068 9.4856 9.4856 9.4857 9.4857 10.1537 10.1537 10.1537 10.1537 14.0749 14.0749 14.0749 14.0749 k = 0.0000 0.1452 0.3049 ( 3406 PWs) bands (ev): -5.9806 -5.9806 -5.9806 -5.9806 -3.2685 -3.2685 -3.2685 -3.2685 2.4786 2.4786 2.4786 2.4786 4.2672 4.2672 4.2672 4.2672 4.5414 4.5414 4.5414 4.5414 5.1868 5.1868 5.1868 5.1868 5.6547 5.6547 5.6547 5.6547 6.0456 6.0456 6.0456 6.0456 6.2395 6.2395 6.2395 6.2395 6.7364 6.7364 6.7364 6.7364 7.9205 7.9205 7.9205 7.9205 9.5345 9.5345 9.5346 9.5346 10.1113 10.1113 10.1113 10.1113 14.0903 14.0903 14.0903 14.0903 k = 0.0000 0.1340 0.3049 ( 3400 PWs) bands (ev): -6.0034 -6.0034 -6.0033 -6.0033 -3.2189 -3.2189 -3.2189 -3.2189 2.4639 2.4639 2.4639 2.4639 4.2500 4.2500 4.2500 4.2500 4.5575 4.5575 4.5575 4.5575 5.1599 5.1599 5.1600 5.1600 5.6346 5.6346 5.6346 5.6346 6.0566 6.0566 6.0566 6.0566 6.2347 6.2347 6.2347 6.2347 6.7153 6.7153 6.7154 6.7154 7.9336 7.9336 7.9337 7.9337 9.5811 9.5811 9.5811 9.5811 10.0690 10.0690 10.0691 10.0691 14.1018 14.1018 14.1018 14.1018 k = 0.0000 0.1228 0.3049 ( 3396 PWs) bands (ev): -6.0245 -6.0245 -6.0244 -6.0244 -3.1718 -3.1718 -3.1718 -3.1718 2.4506 2.4506 2.4507 2.4507 4.2282 4.2282 4.2282 4.2282 4.5735 4.5735 4.5735 4.5735 5.1376 5.1376 5.1376 5.1376 5.6143 5.6143 5.6143 5.6143 6.0647 6.0647 6.0647 6.0647 6.2354 6.2354 6.2354 6.2354 6.6963 6.6963 6.6963 6.6963 7.9463 7.9463 7.9463 7.9463 9.6251 9.6251 9.6251 9.6251 10.0275 10.0275 10.0275 10.0275 14.1095 14.1095 14.1095 14.1095 k = 0.0000 0.1117 0.3049 ( 3396 PWs) bands (ev): -6.0439 -6.0439 -6.0439 -6.0439 -3.1276 -3.1276 -3.1275 -3.1275 2.4388 2.4388 2.4389 2.4389 4.2028 4.2028 4.2028 4.2028 4.5892 4.5892 4.5892 4.5892 5.1196 5.1196 5.1196 5.1196 5.5941 5.5941 5.5941 5.5941 6.0695 6.0695 6.0695 6.0695 6.2409 6.2409 6.2409 6.2409 6.6792 6.6792 6.6792 6.6792 7.9584 7.9584 7.9584 7.9584 9.6662 9.6662 9.6662 9.6662 9.9871 9.9871 9.9871 9.9871 14.1139 14.1139 14.1139 14.1139 k = 0.0000 0.1005 0.3049 ( 3392 PWs) bands (ev): -6.0616 -6.0616 -6.0616 -6.0616 -3.0864 -3.0864 -3.0863 -3.0863 2.4284 2.4284 2.4285 2.4285 4.1750 4.1750 4.1750 4.1750 4.6045 4.6045 4.6045 4.6045 5.1055 5.1055 5.1055 5.1055 5.5744 5.5744 5.5744 5.5744 6.0716 6.0716 6.0716 6.0716 6.2501 6.2501 6.2501 6.2501 6.6640 6.6640 6.6641 6.6641 7.9699 7.9699 7.9700 7.9700 9.7041 9.7041 9.7041 9.7041 9.9484 9.9484 9.9485 9.9485 14.1154 14.1154 14.1155 14.1155 k = 0.0000 0.0893 0.3049 ( 3384 PWs) bands (ev): -6.0776 -6.0776 -6.0775 -6.0775 -3.0486 -3.0486 -3.0485 -3.0485 2.4194 2.4194 2.4194 2.4194 4.1461 4.1461 4.1461 4.1461 4.6193 4.6193 4.6193 4.6193 5.0948 5.0948 5.0948 5.0948 5.5554 5.5554 5.5554 5.5554 6.0718 6.0718 6.0718 6.0718 6.2618 6.2618 6.2618 6.2618 6.6507 6.6507 6.6508 6.6508 7.9808 7.9808 7.9808 7.9808 9.7385 9.7385 9.7386 9.7386 9.9121 9.9121 9.9122 9.9122 14.1148 14.1148 14.1148 14.1148 k = 0.0000 0.0782 0.3049 ( 3384 PWs) bands (ev): -6.0918 -6.0918 -6.0917 -6.0917 -3.0145 -3.0145 -3.0144 -3.0144 2.4117 2.4117 2.4118 2.4118 4.1173 4.1173 4.1173 4.1173 4.6331 4.6331 4.6331 4.6331 5.0869 5.0869 5.0869 5.0869 5.5375 5.5375 5.5375 5.5375 6.0707 6.0707 6.0707 6.0707 6.2745 6.2745 6.2745 6.2745 6.6392 6.6392 6.6393 6.6393 7.9910 7.9910 7.9910 7.9910 9.7690 9.7690 9.7691 9.7691 9.8789 9.8789 9.8789 9.8789 14.1126 14.1126 14.1127 14.1127 k = 0.0000 0.0670 0.3049 ( 3388 PWs) bands (ev): -6.1041 -6.1041 -6.1040 -6.1040 -2.9844 -2.9844 -2.9843 -2.9843 2.4053 2.4053 2.4053 2.4053 4.0898 4.0898 4.0898 4.0898 4.6458 4.6458 4.6458 4.6458 5.0811 5.0811 5.0811 5.0811 5.5209 5.5209 5.5210 5.5210 6.0690 6.0690 6.0691 6.0691 6.2872 6.2872 6.2872 6.2872 6.6295 6.6295 6.6295 6.6295 8.0002 8.0002 8.0002 8.0002 9.7943 9.7943 9.7944 9.7944 9.8504 9.8504 9.8504 9.8504 14.1095 14.1095 14.1095 14.1095 k = 0.0000 0.0558 0.3049 ( 3382 PWs) bands (ev): -6.1146 -6.1146 -6.1145 -6.1145 -2.9584 -2.9584 -2.9584 -2.9584 2.4000 2.4000 2.4000 2.4000 4.0647 4.0647 4.0647 4.0647 4.6573 4.6573 4.6573 4.6573 5.0770 5.0770 5.0770 5.0770 5.5062 5.5062 5.5062 5.5062 6.0672 6.0672 6.0672 6.0672 6.2991 6.2991 6.2991 6.2991 6.6214 6.6214 6.6214 6.6214 8.0084 8.0084 8.0084 8.0084 9.8056 9.8056 9.8056 9.8056 9.8357 9.8357 9.8357 9.8357 14.1059 14.1059 14.1059 14.1059 k = 0.0000 0.0447 0.3049 ( 3384 PWs) bands (ev): -6.1232 -6.1232 -6.1231 -6.1231 -2.9369 -2.9369 -2.9369 -2.9369 2.3958 2.3958 2.3959 2.3959 4.0430 4.0430 4.0430 4.0430 4.6671 4.6671 4.6671 4.6671 5.0742 5.0742 5.0742 5.0742 5.4936 5.4936 5.4936 5.4936 6.0654 6.0654 6.0654 6.0654 6.3095 6.3095 6.3095 6.3095 6.6150 6.6150 6.6150 6.6150 8.0154 8.0154 8.0154 8.0154 9.7916 9.7916 9.7916 9.7916 9.8463 9.8463 9.8464 9.8464 14.1023 14.1023 14.1023 14.1023 k = 0.0000 0.0335 0.3049 ( 3384 PWs) bands (ev): -6.1299 -6.1299 -6.1298 -6.1298 -2.9200 -2.9200 -2.9199 -2.9199 2.3927 2.3927 2.3927 2.3927 4.0252 4.0252 4.0253 4.0253 4.6750 4.6750 4.6750 4.6750 5.0723 5.0723 5.0724 5.0724 5.4834 5.4834 5.4834 5.4834 6.0639 6.0639 6.0639 6.0639 6.3180 6.3180 6.3180 6.3180 6.6100 6.6100 6.6101 6.6101 8.0211 8.0211 8.0211 8.0211 9.7751 9.7751 9.7751 9.7751 9.8599 9.8599 9.8600 9.8600 14.0991 14.0991 14.0991 14.0991 k = 0.0000 0.0223 0.3049 ( 3384 PWs) bands (ev): -6.1347 -6.1347 -6.1346 -6.1346 -2.9078 -2.9078 -2.9077 -2.9077 2.3905 2.3905 2.3905 2.3905 4.0122 4.0122 4.0122 4.0122 4.6809 4.6809 4.6809 4.6809 5.0712 5.0712 5.0712 5.0712 5.4759 5.4759 5.4759 5.4759 6.0628 6.0628 6.0628 6.0628 6.3243 6.3243 6.3243 6.3243 6.6066 6.6066 6.6066 6.6066 8.0252 8.0252 8.0252 8.0252 9.7623 9.7623 9.7624 9.7624 9.8704 9.8704 9.8704 9.8704 14.0966 14.0966 14.0966 14.0966 k = 0.0000 0.0112 0.3049 ( 3392 PWs) bands (ev): -6.1376 -6.1376 -6.1375 -6.1375 -2.9004 -2.9004 -2.9004 -2.9004 2.3892 2.3892 2.3892 2.3892 4.0042 4.0042 4.0042 4.0042 4.6844 4.6844 4.6844 4.6844 5.0706 5.0706 5.0706 5.0706 5.4713 5.4713 5.4713 5.4713 6.0621 6.0621 6.0621 6.0621 6.3281 6.3281 6.3281 6.3281 6.6045 6.6045 6.6046 6.6046 8.0277 8.0277 8.0278 8.0278 9.7545 9.7545 9.7545 9.7545 9.8768 9.8768 9.8768 9.8768 14.0950 14.0950 14.0950 14.0950 k = 0.0000 0.0000 0.3049 ( 3392 PWs) bands (ev): -6.1385 -6.1385 -6.1385 -6.1385 -2.8979 -2.8979 -2.8979 -2.8979 2.3888 2.3888 2.3888 2.3888 4.0014 4.0014 4.0014 4.0014 4.6856 4.6856 4.6856 4.6856 5.0704 5.0704 5.0704 5.0704 5.4697 5.4697 5.4697 5.4697 6.0618 6.0618 6.0618 6.0618 6.3294 6.3294 6.3295 6.3295 6.6039 6.6039 6.6039 6.6039 8.0286 8.0286 8.0286 8.0286 9.7518 9.7518 9.7519 9.7519 9.8789 9.8789 9.8789 9.8789 14.0945 14.0945 14.0945 14.0945 k = 0.0000 0.3797-0.0000 ( 3390 PWs) bands (ev): -5.6871 -5.6871 -5.6870 -5.6870 -3.7354 -3.7354 -3.7354 -3.7354 1.9200 1.9200 1.9200 1.9200 4.3797 4.3797 4.3797 4.3797 4.7470 4.7470 4.7470 4.7470 5.3384 5.3384 5.3384 5.3384 5.7344 5.7344 5.7344 5.7344 6.0900 6.0900 6.0900 6.0900 6.3364 6.3364 6.3364 6.3364 7.3974 7.3974 7.3974 7.3974 8.7909 8.7909 8.7909 8.7909 9.1620 9.1620 9.1620 9.1620 9.8789 9.8789 9.8789 9.8789 13.4749 13.4749 13.4749 13.4749 k = 0.0000 0.3797 0.0109 ( 3396 PWs) bands (ev): -5.6865 -5.6865 -5.6864 -5.6864 -3.7368 -3.7368 -3.7368 -3.7368 1.9224 1.9224 1.9224 1.9224 4.3796 4.3796 4.3796 4.3796 4.7440 4.7440 4.7440 4.7440 5.3411 5.3411 5.3411 5.3411 5.7349 5.7349 5.7349 5.7349 6.0900 6.0900 6.0900 6.0900 6.3360 6.3360 6.3360 6.3360 7.3972 7.3972 7.3972 7.3972 8.7903 8.7903 8.7903 8.7903 9.1553 9.1553 9.1553 9.1553 9.8842 9.8842 9.8842 9.8842 13.4740 13.4740 13.4740 13.4740 k = 0.0000 0.3797 0.0218 ( 3396 PWs) bands (ev): -5.6847 -5.6847 -5.6846 -5.6846 -3.7408 -3.7408 -3.7408 -3.7408 1.9293 1.9293 1.9293 1.9293 4.3792 4.3792 4.3792 4.3792 4.7353 4.7353 4.7353 4.7353 5.3491 5.3491 5.3492 5.3492 5.7364 5.7364 5.7364 5.7364 6.0901 6.0901 6.0902 6.0902 6.3349 6.3349 6.3349 6.3349 7.3965 7.3965 7.3966 7.3966 8.7886 8.7886 8.7886 8.7886 9.1358 9.1358 9.1359 9.1359 9.8993 9.8993 9.8994 9.8994 13.4715 13.4715 13.4715 13.4715 k = 0.0000 0.3797 0.0327 ( 3384 PWs) bands (ev): -5.6817 -5.6817 -5.6816 -5.6816 -3.7474 -3.7474 -3.7474 -3.7474 1.9409 1.9409 1.9409 1.9409 4.3785 4.3785 4.3785 4.3785 4.7214 4.7214 4.7214 4.7214 5.3619 5.3619 5.3619 5.3619 5.7390 5.7390 5.7390 5.7390 6.0903 6.0903 6.0903 6.0903 6.3333 6.3333 6.3333 6.3333 7.3955 7.3955 7.3955 7.3955 8.7857 8.7857 8.7857 8.7857 9.1050 9.1050 9.1051 9.1051 9.9229 9.9229 9.9230 9.9230 13.4675 13.4675 13.4675 13.4675 k = 0.0000 0.3797 0.0436 ( 3376 PWs) bands (ev): -5.6775 -5.6775 -5.6774 -5.6774 -3.7566 -3.7566 -3.7566 -3.7566 1.9570 1.9570 1.9570 1.9570 4.3776 4.3776 4.3776 4.3776 4.7028 4.7028 4.7028 4.7028 5.3787 5.3787 5.3787 5.3787 5.7425 5.7425 5.7425 5.7425 6.0900 6.0900 6.0901 6.0901 6.3317 6.3317 6.3317 6.3317 7.3941 7.3941 7.3941 7.3941 8.7816 8.7816 8.7816 8.7816 9.0648 9.0648 9.0649 9.0649 9.9530 9.9530 9.9531 9.9531 13.4626 13.4626 13.4626 13.4626 k = 0.0000 0.3797 0.0544 ( 3376 PWs) bands (ev): -5.6722 -5.6722 -5.6721 -5.6721 -3.7682 -3.7682 -3.7682 -3.7682 1.9774 1.9774 1.9774 1.9774 4.3764 4.3764 4.3764 4.3764 4.6804 4.6804 4.6804 4.6804 5.3985 5.3985 5.3985 5.3985 5.7468 5.7468 5.7469 5.7469 6.0892 6.0892 6.0892 6.0892 6.3306 6.3306 6.3306 6.3306 7.3922 7.3922 7.3923 7.3923 8.7765 8.7765 8.7765 8.7765 9.0170 9.0170 9.0171 9.0171 9.9878 9.9878 9.9879 9.9879 13.4570 13.4570 13.4570 13.4570 k = 0.0000 0.3797 0.0653 ( 3372 PWs) bands (ev): -5.6657 -5.6657 -5.6657 -5.6657 -3.7822 -3.7822 -3.7821 -3.7821 2.0021 2.0021 2.0021 2.0021 4.3749 4.3749 4.3750 4.3750 4.6546 4.6546 4.6546 4.6546 5.4205 5.4205 5.4205 5.4205 5.7521 5.7521 5.7521 5.7521 6.0873 6.0873 6.0873 6.0873 6.3309 6.3309 6.3309 6.3309 7.3900 7.3900 7.3900 7.3900 8.7704 8.7704 8.7704 8.7704 8.9633 8.9633 8.9633 8.9633 10.0257 10.0257 10.0257 10.0257 13.4513 13.4513 13.4513 13.4513 k = 0.0000 0.3797 0.0762 ( 3376 PWs) bands (ev): -5.6582 -5.6582 -5.6582 -5.6582 -3.7983 -3.7983 -3.7982 -3.7982 2.0307 2.0307 2.0307 2.0307 4.3732 4.3732 4.3732 4.3732 4.6262 4.6262 4.6263 4.6263 5.4438 5.4438 5.4438 5.4438 5.7582 5.7582 5.7582 5.7582 6.0839 6.0839 6.0839 6.0839 6.3334 6.3334 6.3334 6.3334 7.3874 7.3874 7.3874 7.3874 8.7632 8.7632 8.7632 8.7632 8.9048 8.9048 8.9048 8.9048 10.0654 10.0654 10.0655 10.0655 13.4460 13.4460 13.4460 13.4460 k = 0.0000 0.3797 0.0871 ( 3384 PWs) bands (ev): -5.6497 -5.6497 -5.6497 -5.6497 -3.8163 -3.8163 -3.8163 -3.8163 2.0632 2.0632 2.0632 2.0632 4.3713 4.3713 4.3713 4.3713 4.5957 4.5957 4.5957 4.5957 5.4676 5.4676 5.4676 5.4676 5.7649 5.7649 5.7649 5.7649 6.0785 6.0785 6.0785 6.0785 6.3390 6.3390 6.3390 6.3390 7.3844 7.3844 7.3844 7.3844 8.7549 8.7549 8.7549 8.7549 8.8427 8.8427 8.8427 8.8427 10.1060 10.1060 10.1061 10.1061 13.4417 13.4417 13.4417 13.4417 k = 0.0000 0.3797 0.0980 ( 3384 PWs) bands (ev): -5.6403 -5.6403 -5.6402 -5.6402 -3.8362 -3.8362 -3.8361 -3.8361 2.0993 2.0993 2.0993 2.0993 4.3692 4.3692 4.3692 4.3692 4.5634 4.5634 4.5634 4.5634 5.4913 5.4913 5.4914 5.4914 5.7723 5.7723 5.7723 5.7723 6.0710 6.0710 6.0710 6.0710 6.3485 6.3485 6.3485 6.3485 7.3811 7.3811 7.3811 7.3811 8.7434 8.7434 8.7434 8.7434 8.7799 8.7799 8.7799 8.7799 10.1468 10.1468 10.1468 10.1468 13.4388 13.4388 13.4388 13.4388 k = 0.0000 0.3797 0.1089 ( 3384 PWs) bands (ev): -5.6299 -5.6299 -5.6299 -5.6299 -3.8575 -3.8575 -3.8575 -3.8575 2.1386 2.1386 2.1386 2.1386 4.3669 4.3669 4.3669 4.3669 4.5296 4.5296 4.5297 4.5297 5.5143 5.5143 5.5143 5.5143 5.7802 5.7802 5.7802 5.7802 6.0614 6.0614 6.0614 6.0614 6.3624 6.3624 6.3624 6.3624 7.3775 7.3775 7.3775 7.3775 8.7022 8.7022 8.7023 8.7023 8.7436 8.7436 8.7436 8.7436 10.1871 10.1871 10.1872 10.1872 13.4378 13.4378 13.4378 13.4378 k = 0.0000 0.3797 0.1198 ( 3396 PWs) bands (ev): -5.6188 -5.6188 -5.6187 -5.6187 -3.8803 -3.8803 -3.8802 -3.8802 2.1809 2.1809 2.1809 2.1809 4.3644 4.3644 4.3644 4.3644 4.4947 4.4947 4.4947 4.4947 5.5360 5.5360 5.5360 5.5360 5.7882 5.7882 5.7883 5.7883 6.0498 6.0498 6.0498 6.0498 6.3812 6.3812 6.3812 6.3812 7.3736 7.3736 7.3736 7.3736 8.6339 8.6339 8.6340 8.6340 8.7317 8.7317 8.7317 8.7317 10.2266 10.2266 10.2267 10.2267 13.4390 13.4390 13.4390 13.4390 k = 0.0000 0.3797 0.1307 ( 3394 PWs) bands (ev): -5.6069 -5.6069 -5.6069 -5.6069 -3.9040 -3.9040 -3.9040 -3.9040 2.2259 2.2259 2.2259 2.2259 4.3616 4.3616 4.3616 4.3616 4.4590 4.4590 4.4590 4.4590 5.5561 5.5561 5.5561 5.5561 5.7965 5.7965 5.7966 5.7966 6.0368 6.0368 6.0368 6.0368 6.4049 6.4049 6.4049 6.4049 7.3695 7.3695 7.3695 7.3695 8.5618 8.5618 8.5619 8.5619 8.7213 8.7213 8.7214 8.7214 10.2649 10.2649 10.2649 10.2649 13.4428 13.4428 13.4428 13.4428 k = 0.0000 0.3797 0.1415 ( 3394 PWs) bands (ev): -5.5945 -5.5945 -5.5944 -5.5944 -3.9286 -3.9286 -3.9285 -3.9285 2.2732 2.2732 2.2732 2.2732 4.3580 4.3580 4.3581 4.3581 4.4230 4.4230 4.4230 4.4230 5.5741 5.5741 5.5742 5.5742 5.8047 5.8047 5.8047 5.8047 6.0229 6.0229 6.0229 6.0229 6.4336 6.4336 6.4336 6.4336 7.3652 7.3652 7.3652 7.3652 8.4878 8.4878 8.4878 8.4878 8.7112 8.7112 8.7112 8.7112 10.3017 10.3017 10.3018 10.3018 13.4495 13.4495 13.4495 13.4495 k = 0.0000 0.3797 0.1524 ( 3394 PWs) bands (ev): -5.5815 -5.5815 -5.5815 -5.5815 -3.9537 -3.9537 -3.9536 -3.9536 2.3224 2.3224 2.3224 2.3224 4.3520 4.3520 4.3520 4.3520 4.3887 4.3887 4.3887 4.3887 5.5900 5.5900 5.5900 5.5900 5.8126 5.8126 5.8126 5.8126 6.0087 6.0087 6.0087 6.0087 6.4671 6.4671 6.4671 6.4671 7.3607 7.3607 7.3608 7.3608 8.4122 8.4122 8.4122 8.4122 8.7011 8.7011 8.7011 8.7011 10.3368 10.3368 10.3369 10.3369 13.4592 13.4592 13.4592 13.4592 k = 0.0000 0.3797 0.1633 ( 3394 PWs) bands (ev): -5.5683 -5.5683 -5.5682 -5.5682 -3.9790 -3.9790 -3.9790 -3.9790 2.3731 2.3731 2.3731 2.3731 4.3337 4.3337 4.3337 4.3337 4.3661 4.3661 4.3661 4.3661 5.6033 5.6033 5.6034 5.6034 5.8198 5.8198 5.8198 5.8198 5.9950 5.9950 5.9950 5.9950 6.5051 6.5051 6.5052 6.5052 7.3562 7.3562 7.3562 7.3562 8.3355 8.3355 8.3355 8.3355 8.6911 8.6911 8.6911 8.6911 10.3700 10.3700 10.3701 10.3701 13.4723 13.4723 13.4723 13.4723 k = 0.0000 0.3797 0.1742 ( 3382 PWs) bands (ev): -5.5548 -5.5548 -5.5547 -5.5547 -4.0043 -4.0043 -4.0042 -4.0042 2.4248 2.4248 2.4248 2.4248 4.2999 4.2999 4.2999 4.2999 4.3585 4.3585 4.3586 4.3586 5.6143 5.6143 5.6143 5.6143 5.8262 5.8262 5.8262 5.8262 5.9825 5.9825 5.9825 5.9825 6.5476 6.5476 6.5476 6.5476 7.3516 7.3516 7.3516 7.3516 8.2577 8.2577 8.2578 8.2578 8.6813 8.6813 8.6813 8.6813 10.4012 10.4012 10.4012 10.4012 13.4888 13.4888 13.4888 13.4888 k = 0.0000 0.3797 0.1851 ( 3378 PWs) bands (ev): -5.5413 -5.5413 -5.5413 -5.5413 -4.0291 -4.0291 -4.0291 -4.0291 2.4771 2.4771 2.4771 2.4771 4.2621 4.2621 4.2621 4.2621 4.3549 4.3549 4.3549 4.3549 5.6226 5.6226 5.6226 5.6226 5.8314 5.8314 5.8314 5.8314 5.9717 5.9717 5.9717 5.9717 6.5941 6.5941 6.5942 6.5942 7.3470 7.3470 7.3471 7.3471 8.1792 8.1792 8.1793 8.1793 8.6718 8.6718 8.6718 8.6718 10.4302 10.4302 10.4302 10.4302 13.5089 13.5089 13.5089 13.5089 k = 0.0000 0.3797 0.1960 ( 3374 PWs) bands (ev): -5.5280 -5.5280 -5.5279 -5.5279 -4.0534 -4.0534 -4.0533 -4.0533 2.5294 2.5294 2.5294 2.5294 4.2234 4.2234 4.2234 4.2234 4.3522 4.3522 4.3522 4.3522 5.6286 5.6286 5.6286 5.6286 5.8353 5.8353 5.8353 5.8353 5.9631 5.9631 5.9631 5.9631 6.6445 6.6445 6.6445 6.6445 7.3425 7.3425 7.3426 7.3426 8.1001 8.1001 8.1002 8.1002 8.6628 8.6628 8.6628 8.6628 10.4568 10.4568 10.4569 10.4569 13.5324 13.5324 13.5324 13.5324 k = 0.0000 0.3797 0.2069 ( 3368 PWs) bands (ev): -5.5150 -5.5150 -5.5149 -5.5149 -4.0766 -4.0766 -4.0765 -4.0765 2.5810 2.5810 2.5810 2.5810 4.1848 4.1848 4.1848 4.1848 4.3499 4.3499 4.3499 4.3499 5.6322 5.6322 5.6323 5.6323 5.8378 5.8378 5.8378 5.8378 5.9569 5.9569 5.9569 5.9569 6.6983 6.6983 6.6983 6.6983 7.3382 7.3382 7.3382 7.3382 8.0207 8.0207 8.0207 8.0207 8.6543 8.6543 8.6543 8.6543 10.4811 10.4811 10.4812 10.4812 13.5595 13.5595 13.5595 13.5595 k = 0.0000 0.3797 0.2178 ( 3372 PWs) bands (ev): -5.5026 -5.5026 -5.5025 -5.5025 -4.0985 -4.0985 -4.0984 -4.0984 2.6313 2.6313 2.6314 2.6314 4.1468 4.1468 4.1469 4.1469 4.3478 4.3478 4.3478 4.3478 5.6339 5.6339 5.6339 5.6339 5.8390 5.8390 5.8391 5.8391 5.9531 5.9531 5.9531 5.9531 6.7553 6.7553 6.7554 6.7554 7.3341 7.3341 7.3341 7.3341 7.9410 7.9410 7.9410 7.9410 8.6464 8.6464 8.6464 8.6464 10.5030 10.5030 10.5031 10.5031 13.5899 13.5899 13.5899 13.5899 k = 0.0000 0.3797 0.2286 ( 3370 PWs) bands (ev): -5.4909 -5.4909 -5.4908 -5.4908 -4.1187 -4.1187 -4.1187 -4.1187 2.6795 2.6795 2.6796 2.6796 4.1101 4.1101 4.1101 4.1101 4.3461 4.3461 4.3461 4.3461 5.6338 5.6338 5.6338 5.6338 5.8394 5.8394 5.8394 5.8394 5.9512 5.9512 5.9512 5.9512 6.8152 6.8152 6.8153 6.8153 7.3303 7.3303 7.3303 7.3303 7.8614 7.8614 7.8614 7.8614 8.6392 8.6392 8.6392 8.6392 10.5224 10.5224 10.5224 10.5224 13.6235 13.6235 13.6235 13.6235 k = 0.0000 0.3797 0.2395 ( 3376 PWs) bands (ev): -5.4802 -5.4802 -5.4801 -5.4801 -4.1371 -4.1371 -4.1370 -4.1370 2.7247 2.7247 2.7247 2.7247 4.0753 4.0753 4.0754 4.0754 4.3444 4.3444 4.3445 4.3445 5.6325 5.6325 5.6325 5.6325 5.8392 5.8392 5.8392 5.8392 5.9509 5.9509 5.9509 5.9509 6.8777 6.8777 6.8777 6.8777 7.3269 7.3269 7.3269 7.3269 7.7819 7.7819 7.7820 7.7820 8.6328 8.6328 8.6328 8.6328 10.5393 10.5393 10.5393 10.5393 13.6598 13.6598 13.6598 13.6598 k = 0.0000 0.3797 0.2504 ( 3368 PWs) bands (ev): -5.4707 -5.4707 -5.4706 -5.4706 -4.1532 -4.1532 -4.1531 -4.1531 2.7659 2.7659 2.7659 2.7659 4.0434 4.0434 4.0434 4.0434 4.3431 4.3431 4.3432 4.3432 5.6304 5.6304 5.6304 5.6304 5.8387 5.8387 5.8388 5.8388 5.9515 5.9515 5.9515 5.9515 6.9423 6.9423 6.9424 6.9424 7.3239 7.3239 7.3239 7.3239 7.7030 7.7030 7.7031 7.7031 8.6273 8.6273 8.6273 8.6273 10.5536 10.5536 10.5536 10.5536 13.6983 13.6983 13.6983 13.6983 k = 0.0000 0.3797 0.2613 ( 3376 PWs) bands (ev): -5.4626 -5.4626 -5.4626 -5.4626 -4.1668 -4.1668 -4.1667 -4.1667 2.8018 2.8018 2.8019 2.8019 4.0151 4.0151 4.0151 4.0151 4.3420 4.3420 4.3420 4.3420 5.6279 5.6279 5.6280 5.6280 5.8382 5.8382 5.8382 5.8382 5.9526 5.9526 5.9526 5.9526 7.0087 7.0087 7.0087 7.0087 7.3215 7.3215 7.3216 7.3216 7.6249 7.6249 7.6250 7.6250 8.6227 8.6227 8.6227 8.6227 10.5653 10.5653 10.5653 10.5653 13.7378 13.7378 13.7378 13.7378 k = 0.0000 0.3797 0.2722 ( 3376 PWs) bands (ev): -5.4561 -5.4561 -5.4560 -5.4560 -4.1776 -4.1776 -4.1776 -4.1776 2.8315 2.8315 2.8316 2.8316 3.9915 3.9915 3.9916 3.9916 4.3411 4.3411 4.3411 4.3411 5.6256 5.6256 5.6256 5.6256 5.8378 5.8378 5.8378 5.8378 5.9537 5.9537 5.9538 5.9538 7.0760 7.0760 7.0761 7.0761 7.3199 7.3199 7.3200 7.3200 7.5482 7.5482 7.5483 7.5483 8.6190 8.6190 8.6190 8.6190 10.5744 10.5744 10.5744 10.5744 13.7765 13.7765 13.7766 13.7766 k = 0.0000 0.3797 0.2831 ( 3372 PWs) bands (ev): -5.4513 -5.4513 -5.4513 -5.4513 -4.1855 -4.1855 -4.1855 -4.1855 2.8538 2.8538 2.8538 2.8538 3.9738 3.9738 3.9738 3.9738 4.3405 4.3405 4.3405 4.3405 5.6237 5.6237 5.6237 5.6237 5.8375 5.8375 5.8375 5.8375 5.9548 5.9548 5.9548 5.9548 7.1426 7.1426 7.1427 7.1427 7.3196 7.3196 7.3196 7.3196 7.4741 7.4741 7.4741 7.4741 8.6164 8.6164 8.6164 8.6164 10.5809 10.5809 10.5810 10.5810 13.8114 13.8114 13.8114 13.8114 k = 0.0000 0.3797 0.2940 ( 3368 PWs) bands (ev): -5.4484 -5.4484 -5.4483 -5.4483 -4.1903 -4.1903 -4.1903 -4.1903 2.8676 2.8676 2.8676 2.8676 3.9627 3.9627 3.9627 3.9627 4.3401 4.3401 4.3402 4.3402 5.6224 5.6224 5.6224 5.6224 5.8373 5.8373 5.8374 5.8374 5.9555 5.9555 5.9555 5.9555 7.2028 7.2028 7.2029 7.2029 7.3227 7.3227 7.3227 7.3227 7.4061 7.4061 7.4061 7.4061 8.6148 8.6148 8.6149 8.6149 10.5848 10.5848 10.5849 10.5849 13.8370 13.8370 13.8370 13.8370 k = 0.0000 0.3797 0.3049 ( 3364 PWs) bands (ev): -5.4474 -5.4474 -5.4474 -5.4474 -4.1919 -4.1919 -4.1919 -4.1919 2.8723 2.8723 2.8723 2.8723 3.9589 3.9589 3.9590 3.9590 4.3400 4.3400 4.3400 4.3400 5.6220 5.6220 5.6220 5.6220 5.8373 5.8373 5.8373 5.8373 5.9557 5.9557 5.9558 5.9558 7.2329 7.2329 7.2329 7.2329 7.3319 7.3319 7.3319 7.3319 7.3653 7.3653 7.3653 7.3653 8.6143 8.6143 8.6143 8.6143 10.5862 10.5862 10.5862 10.5862 13.8467 13.8467 13.8467 13.8467 k = 0.5000-0.0000 0.3049 ( 3404 PWs) bands (ev): -5.4063 -5.4063 -5.4052 -5.4052 -2.9896 -2.9896 -2.9888 -2.9888 2.2006 2.2006 2.2061 2.2061 3.6776 3.6776 3.6849 3.6849 4.3082 4.3082 4.3164 4.3164 5.3912 5.3912 5.4009 5.4009 5.6004 5.6004 5.6577 5.6577 5.7664 5.7664 5.8031 5.8031 5.9627 5.9627 5.9712 5.9712 6.0773 6.0773 6.1249 6.1249 6.7997 6.7997 6.8604 6.8604 8.7550 8.7550 8.7682 8.7682 10.3509 10.3509 10.3566 10.3566 13.3693 13.3693 13.3908 13.3908 k = 0.5000-0.0000 0.2940 ( 3408 PWs) bands (ev): -5.4066 -5.4066 -5.4055 -5.4055 -2.9890 -2.9890 -2.9882 -2.9882 2.2014 2.2014 2.2069 2.2069 3.6770 3.6770 3.6843 3.6843 4.3083 4.3083 4.3164 4.3164 5.3895 5.3895 5.3996 5.3996 5.6011 5.6011 5.6537 5.6537 5.7657 5.7657 5.7969 5.7969 5.9642 5.9642 5.9723 5.9723 6.0781 6.0781 6.1259 6.1259 6.8040 6.8040 6.8640 6.8640 8.7549 8.7549 8.7681 8.7681 10.3492 10.3492 10.3549 10.3549 13.3704 13.3704 13.3918 13.3918 k = 0.5000-0.0000 0.2831 ( 3404 PWs) bands (ev): -5.4075 -5.4075 -5.4064 -5.4064 -2.9872 -2.9872 -2.9864 -2.9864 2.2036 2.2036 2.2090 2.2090 3.6752 3.6752 3.6827 3.6827 4.3088 4.3088 4.3167 4.3167 5.3849 5.3849 5.3959 5.3959 5.6016 5.6016 5.6402 5.6402 5.7658 5.7658 5.7807 5.7807 5.9681 5.9681 5.9752 5.9752 6.0805 6.0805 6.1288 6.1288 6.8166 6.8166 6.8747 6.8747 8.7546 8.7546 8.7677 8.7677 10.3442 10.3442 10.3498 10.3498 13.3738 13.3738 13.3946 13.3946 k = 0.5000-0.0000 0.2722 ( 3400 PWs) bands (ev): -5.4089 -5.4089 -5.4078 -5.4078 -2.9841 -2.9841 -2.9834 -2.9834 2.2072 2.2072 2.2125 2.2125 3.6722 3.6722 3.6800 3.6800 4.3096 4.3096 4.3170 4.3170 5.3779 5.3779 5.3901 5.3901 5.5973 5.5973 5.6147 5.6147 5.7613 5.7613 5.7704 5.7704 5.9731 5.9731 5.9792 5.9792 6.0841 6.0841 6.1329 6.1329 6.8368 6.8368 6.8918 6.8918 8.7539 8.7539 8.7671 8.7671 10.3357 10.3357 10.3412 10.3412 13.3793 13.3793 13.3995 13.3995 k = 0.5000-0.0000 0.2613 ( 3410 PWs) bands (ev): -5.4108 -5.4108 -5.4098 -5.4098 -2.9800 -2.9800 -2.9793 -2.9793 2.2123 2.2123 2.2175 2.2175 3.6682 3.6682 3.6763 3.6763 4.3105 4.3105 4.3172 4.3172 5.3694 5.3694 5.3823 5.3823 5.5775 5.5775 5.5802 5.5802 5.7482 5.7482 5.7809 5.7809 5.9786 5.9786 5.9839 5.9839 6.0884 6.0884 6.1377 6.1377 6.8631 6.8631 6.9143 6.9143 8.7528 8.7528 8.7659 8.7659 10.3240 10.3240 10.3293 10.3293 13.3871 13.3871 13.4062 13.4062 k = 0.5000-0.0000 0.2504 ( 3414 PWs) bands (ev): -5.4133 -5.4133 -5.4123 -5.4123 -2.9748 -2.9748 -2.9740 -2.9740 2.2188 2.2188 2.2238 2.2238 3.6634 3.6634 3.6718 3.6718 4.3114 4.3114 4.3173 4.3173 5.3598 5.3598 5.3725 5.3725 5.5316 5.5316 5.5459 5.5459 5.7479 5.7479 5.7963 5.7963 5.9843 5.9843 5.9890 5.9890 6.0931 6.0931 6.1427 6.1427 6.8943 6.8943 6.9415 6.9415 8.7511 8.7511 8.7642 8.7642 10.3089 10.3089 10.3140 10.3140 13.3969 13.3969 13.4149 13.4149 k = 0.5000-0.0000 0.2395 ( 3414 PWs) bands (ev): -5.4163 -5.4163 -5.4152 -5.4152 -2.9685 -2.9685 -2.9678 -2.9678 2.2267 2.2267 2.2316 2.2316 3.6578 3.6578 3.6667 3.6667 4.3123 4.3123 4.3172 4.3172 5.3489 5.3489 5.3590 5.3590 5.4813 5.4813 5.4979 5.4979 5.7584 5.7584 5.8151 5.8151 5.9904 5.9904 5.9946 5.9946 6.0980 6.0980 6.1476 6.1476 6.9293 6.9293 6.9724 6.9724 8.7486 8.7486 8.7617 8.7617 10.2906 10.2906 10.2956 10.2956 13.4085 13.4085 13.4250 13.4250 k = 0.5000-0.0000 0.2286 ( 3414 PWs) bands (ev): -5.4196 -5.4196 -5.4186 -5.4186 -2.9613 -2.9613 -2.9606 -2.9606 2.2360 2.2360 2.2406 2.2406 3.6516 3.6516 3.6610 3.6610 4.3130 4.3130 4.3167 4.3167 5.3348 5.3348 5.3367 5.3367 5.4343 5.4343 5.4438 5.4438 5.7752 5.7752 5.8359 5.8359 5.9970 5.9970 6.0008 6.0008 6.1031 6.1031 6.1526 6.1526 6.9671 6.9671 7.0061 7.0061 8.7450 8.7450 8.7582 8.7582 10.2693 10.2693 10.2740 10.2740 13.4212 13.4212 13.4362 13.4362 k = 0.5000-0.0000 0.2178 ( 3408 PWs) bands (ev): -5.4234 -5.4234 -5.4224 -5.4224 -2.9533 -2.9533 -2.9526 -2.9526 2.2467 2.2467 2.2510 2.2510 3.6451 3.6451 3.6551 3.6551 4.3133 4.3133 4.3157 4.3157 5.2960 5.2960 5.3095 5.3095 5.3953 5.3953 5.4018 5.4018 5.7953 5.7953 5.8576 5.8576 6.0044 6.0044 6.0079 6.0079 6.1085 6.1085 6.1577 6.1577 7.0068 7.0068 7.0419 7.0419 8.7401 8.7401 8.7534 8.7534 10.2451 10.2451 10.2497 10.2497 13.4341 13.4341 13.4474 13.4474 k = 0.5000-0.0000 0.2069 ( 3400 PWs) bands (ev): -5.4275 -5.4275 -5.4265 -5.4265 -2.9445 -2.9445 -2.9438 -2.9438 2.2586 2.2586 2.2627 2.2627 3.6386 3.6386 3.6491 3.6491 4.3131 4.3131 4.3141 4.3141 5.2373 5.2373 5.2608 5.2608 5.3671 5.3671 5.3847 5.3847 5.8166 5.8166 5.8791 5.8791 6.0126 6.0126 6.0159 6.0159 6.1145 6.1145 6.1632 6.1632 7.0478 7.0478 7.0794 7.0794 8.7336 8.7336 8.7469 8.7469 10.2185 10.2185 10.2229 10.2229 13.4458 13.4458 13.4573 13.4573 k = 0.5000-0.0000 0.1960 ( 3402 PWs) bands (ev): -5.4318 -5.4318 -5.4309 -5.4309 -2.9351 -2.9351 -2.9344 -2.9344 2.2718 2.2718 2.2755 2.2755 3.6321 3.6321 3.6433 3.6433 4.3116 4.3116 4.3122 4.3122 5.1693 5.1693 5.1950 5.1950 5.3547 5.3547 5.3756 5.3756 5.8379 5.8379 5.8993 5.8993 6.0215 6.0215 6.0248 6.0248 6.1215 6.1215 6.1692 6.1692 7.0897 7.0897 7.1182 7.1182 8.7251 8.7251 8.7386 8.7386 10.1897 10.1897 10.1939 10.1939 13.4547 13.4547 13.4645 13.4645 k = 0.5000-0.0000 0.1851 ( 3398 PWs) bands (ev): -5.4364 -5.4364 -5.4355 -5.4355 -2.9251 -2.9251 -2.9245 -2.9245 2.2861 2.2861 2.2895 2.2895 3.6259 3.6259 3.6378 3.6378 4.3081 4.3081 4.3105 4.3105 5.0971 5.0971 5.1225 5.1225 5.3488 5.3488 5.3704 5.3704 5.8583 5.8583 5.9177 5.9177 6.0312 6.0312 6.0345 6.0345 6.1302 6.1302 6.1761 6.1761 7.1322 7.1322 7.1580 7.1580 8.7144 8.7144 8.7281 8.7281 10.1592 10.1592 10.1633 10.1633 13.4591 13.4591 13.4672 13.4672 k = 0.5000-0.0000 0.1742 ( 3406 PWs) bands (ev): -5.4411 -5.4411 -5.4403 -5.4403 -2.9148 -2.9148 -2.9143 -2.9143 2.3015 2.3015 2.3045 2.3045 3.6203 3.6203 3.6328 3.6328 4.3033 4.3033 4.3076 4.3076 5.0231 5.0231 5.0475 5.0475 5.3460 5.3460 5.3674 5.3674 5.8771 5.8771 5.9337 5.9337 6.0414 6.0414 6.0443 6.0443 6.1412 6.1412 6.1844 6.1844 7.1753 7.1753 7.1987 7.1987 8.7011 8.7011 8.7151 8.7151 10.1275 10.1275 10.1315 10.1315 13.4574 13.4574 13.4640 13.4640 k = 0.5000-0.0000 0.1633 ( 3398 PWs) bands (ev): -5.4459 -5.4459 -5.4451 -5.4451 -2.9043 -2.9043 -2.9038 -2.9038 2.3178 2.3178 2.3204 2.3204 3.6154 3.6154 3.6287 3.6287 4.2971 4.2971 4.3036 4.3036 4.9487 4.9487 4.9722 4.9722 5.3453 5.3453 5.3661 5.3661 5.8943 5.8943 5.9473 5.9473 6.0517 6.0517 6.0534 6.0534 6.1550 6.1550 6.1943 6.1943 7.2190 7.2190 7.2403 7.2403 8.6850 8.6850 8.6992 8.6992 10.0952 10.0952 10.0991 10.0991 13.4488 13.4488 13.4541 13.4541 k = 0.5000-0.0000 0.1524 ( 3398 PWs) bands (ev): -5.4508 -5.4508 -5.4500 -5.4500 -2.8936 -2.8936 -2.8931 -2.8931 2.3349 2.3349 2.3372 2.3372 3.6116 3.6116 3.6256 3.6256 4.2891 4.2891 4.2978 4.2978 4.8751 4.8751 4.8979 4.8979 5.3460 5.3460 5.3660 5.3660 5.9096 5.9096 5.9588 5.9588 6.0613 6.0613 6.0614 6.0614 6.1716 6.1716 6.2060 6.2060 7.2631 7.2631 7.2827 7.2827 8.6657 8.6657 8.6803 8.6803 10.0629 10.0629 10.0667 10.0667 13.4329 13.4329 13.4372 13.4372 k = 0.5000-0.0000 0.1415 ( 3402 PWs) bands (ev): -5.4556 -5.4556 -5.4549 -5.4549 -2.8830 -2.8830 -2.8825 -2.8825 2.3527 2.3527 2.3546 2.3546 3.6091 3.6091 3.6238 3.6238 4.2788 4.2788 4.2900 4.2900 4.8034 4.8034 4.8256 4.8256 5.3479 5.3479 5.3668 5.3668 5.9232 5.9232 5.9684 5.9684 6.0677 6.0677 6.0702 6.0702 6.1905 6.1905 6.2196 6.2196 7.3079 7.3079 7.3260 7.3260 8.6432 8.6432 8.6582 8.6582 10.0311 10.0311 10.0349 10.0349 13.4104 13.4104 13.4139 13.4139 k = 0.5000-0.0000 0.1307 ( 3400 PWs) bands (ev): -5.4603 -5.4603 -5.4596 -5.4596 -2.8725 -2.8725 -2.8721 -2.8721 2.3709 2.3709 2.3724 2.3724 3.6081 3.6081 3.6235 3.6235 4.2657 4.2657 4.2795 4.2795 4.7348 4.7348 4.7568 4.7568 5.3506 5.3506 5.3684 5.3684 5.9352 5.9352 5.9767 5.9767 6.0727 6.0727 6.0776 6.0776 6.2110 6.2110 6.2349 6.2349 7.3533 7.3533 7.3703 7.3703 8.6173 8.6173 8.6326 8.6326 10.0004 10.0004 10.0041 10.0041 13.3827 13.3827 13.3856 13.3856 k = 0.5000-0.0000 0.1198 ( 3394 PWs) bands (ev): -5.4648 -5.4648 -5.4642 -5.4642 -2.8623 -2.8623 -2.8619 -2.8619 2.3894 2.3894 2.3905 2.3905 3.6089 3.6089 3.6249 3.6249 4.2490 4.2490 4.2655 4.2655 4.6708 4.6708 4.6927 4.6927 5.3540 5.3540 5.3706 5.3706 5.9459 5.9459 5.9839 5.9839 6.0766 6.0766 6.0837 6.0837 6.2322 6.2322 6.2514 6.2514 7.3994 7.3994 7.4155 7.4155 8.5880 8.5880 8.6035 8.6035 9.9712 9.9712 9.9749 9.9749 13.3511 13.3511 13.3536 13.3536 k = 0.5000-0.0000 0.1089 ( 3390 PWs) bands (ev): -5.4692 -5.4692 -5.4686 -5.4686 -2.8525 -2.8525 -2.8521 -2.8521 2.4079 2.4079 2.4086 2.4086 3.6117 3.6117 3.6284 3.6284 4.2278 4.2278 4.2467 4.2467 4.6130 4.6130 4.6347 4.6347 5.3579 5.3579 5.3731 5.3731 5.9555 5.9555 5.9902 5.9902 6.0797 6.0797 6.0885 6.0885 6.2532 6.2532 6.2686 6.2686 7.4463 7.4463 7.4618 7.4618 8.5552 8.5552 8.5710 8.5710 9.9440 9.9440 9.9476 9.9476 13.3174 13.3174 13.3196 13.3196 k = 0.5000-0.0000 0.0980 ( 3394 PWs) bands (ev): -5.4733 -5.4733 -5.4728 -5.4728 -2.8432 -2.8432 -2.8429 -2.8429 2.4261 2.4261 2.4265 2.4265 3.6168 3.6168 3.6341 3.6341 4.2012 4.2012 4.2222 4.2222 4.5629 4.5629 4.5841 4.5841 5.3620 5.3620 5.3759 5.3759 5.9641 5.9641 5.9956 5.9956 6.0822 6.0822 6.0920 6.0920 6.2735 6.2735 6.2856 6.2856 7.4940 7.4940 7.5089 7.5089 8.5193 8.5193 8.5352 8.5352 9.9190 9.9190 9.9225 9.9225 13.2831 13.2831 13.2849 13.2849 k = 0.5000-0.0000 0.0871 ( 3386 PWs) bands (ev): -5.4771 -5.4771 -5.4766 -5.4766 -2.8346 -2.8346 -2.8343 -2.8343 2.4436 2.4436 2.4438 2.4438 3.6244 3.6244 3.6422 3.6422 4.1690 4.1690 4.1913 4.1913 4.5218 4.5218 4.5418 4.5418 5.3661 5.3661 5.3786 5.3786 5.9720 5.9720 6.0004 6.0004 6.0843 6.0843 6.0947 6.0947 6.2926 6.2926 6.3022 6.3022 7.5424 7.5424 7.5569 7.5569 8.4804 8.4804 8.4964 8.4964 9.8966 9.8966 9.8999 9.8999 13.2494 13.2494 13.2510 13.2510 k = 0.5000-0.0000 0.0762 ( 3390 PWs) bands (ev): -5.4805 -5.4805 -5.4802 -5.4802 -2.8267 -2.8267 -2.8264 -2.8264 2.4601 2.4601 2.4602 2.4602 3.6348 3.6348 3.6530 3.6530 4.1314 4.1314 4.1542 4.1542 4.4897 4.4897 4.5077 4.5077 5.3703 5.3703 5.3813 5.3813 5.9791 5.9791 6.0044 6.0044 6.0861 6.0861 6.0965 6.0965 6.3101 6.3101 6.3176 6.3176 7.5912 7.5912 7.6054 7.6054 8.4391 8.4391 8.4550 8.4550 9.8769 9.8769 9.8799 9.8799 13.2175 13.2175 13.2189 13.2189 k = 0.5000-0.0000 0.0653 ( 3390 PWs) bands (ev): -5.4836 -5.4836 -5.4833 -5.4833 -2.8197 -2.8197 -2.8194 -2.8194 2.4753 2.4753 2.4755 2.4755 3.6481 3.6481 3.6666 3.6666 4.0899 4.0899 4.1123 4.1123 4.4657 4.4657 4.4813 4.4813 5.3743 5.3743 5.3838 5.3838 5.9855 5.9855 6.0076 6.0076 6.0877 6.0877 6.0976 6.0976 6.3258 6.3258 6.3316 6.3316 7.6402 7.6402 7.6540 7.6540 8.3961 8.3961 8.4117 8.4117 9.8599 9.8599 9.8627 9.8627 13.1883 13.1883 13.1895 13.1895 k = 0.5000-0.0000 0.0544 ( 3388 PWs) bands (ev): -5.4863 -5.4863 -5.4860 -5.4860 -2.8135 -2.8135 -2.8134 -2.8134 2.4889 2.4889 2.4892 2.4892 3.6644 3.6644 3.6831 3.6831 4.0460 4.0460 4.0678 4.0678 4.4485 4.4485 4.4614 4.4614 5.3780 5.3780 5.3860 5.3860 5.9913 5.9913 6.0101 6.0101 6.0891 6.0891 6.0982 6.0982 6.3394 6.3394 6.3439 6.3439 7.6887 7.6887 7.7021 7.7021 8.3523 8.3523 8.3674 8.3674 9.8457 9.8457 9.8481 9.8481 13.1624 13.1624 13.1635 13.1635 k = 0.5000-0.0000 0.0436 ( 3394 PWs) bands (ev): -5.4885 -5.4885 -5.4882 -5.4882 -2.8085 -2.8085 -2.8083 -2.8083 2.5005 2.5005 2.5009 2.5009 3.6837 3.6837 3.7023 3.7023 4.0019 4.0019 4.0227 4.0227 4.4365 4.4365 4.4465 4.4465 5.3813 5.3813 5.3877 5.3877 5.9965 5.9965 6.0118 6.0118 6.0905 6.0905 6.0983 6.0983 6.3507 6.3507 6.3541 6.3541 7.7358 7.7358 7.7484 7.7484 8.3090 8.3090 8.3232 8.3232 9.8343 9.8343 9.8362 9.8362 13.1406 13.1406 13.1414 13.1414 k = 0.5000-0.0000 0.0327 ( 3382 PWs) bands (ev): -5.4902 -5.4902 -5.4900 -5.4900 -2.8044 -2.8044 -2.8043 -2.8043 2.5100 2.5100 2.5104 2.5104 3.7057 3.7057 3.7236 3.7236 3.9596 3.9596 3.9790 3.9790 4.4284 4.4284 4.4358 4.4358 5.3842 5.3842 5.3890 5.3890 6.0010 6.0010 6.0127 6.0127 6.0920 6.0920 6.0981 6.0981 6.3597 6.3597 6.3621 6.3621 7.7798 7.7798 7.7911 7.7911 8.2686 8.2686 8.2811 8.2811 9.8255 9.8255 9.8270 9.8270 13.1232 13.1232 13.1238 13.1238 k = 0.5000-0.0000 0.0218 ( 3386 PWs) bands (ev): -5.4914 -5.4914 -5.4913 -5.4913 -2.8015 -2.8015 -2.8014 -2.8014 2.5170 2.5170 2.5173 2.5173 3.7294 3.7294 3.7455 3.7455 3.9220 3.9220 3.9389 3.9389 4.4235 4.4235 4.4283 4.4283 5.3864 5.3864 5.3896 5.3896 6.0048 6.0048 6.0127 6.0127 6.0933 6.0933 6.0976 6.0976 6.3663 6.3663 6.3679 6.3679 7.8180 7.8180 7.8270 7.8270 8.2342 8.2342 8.2440 8.2440 9.8194 9.8194 9.8204 9.8204 13.1106 13.1106 13.1110 13.1110 k = 0.5000-0.0000 0.0109 ( 3394 PWs) bands (ev): -5.4922 -5.4922 -5.4921 -5.4921 -2.7997 -2.7997 -2.7997 -2.7997 2.5213 2.5213 2.5215 2.5215 3.7521 3.7521 3.7631 3.7631 3.8947 3.8947 3.9061 3.9061 4.4212 4.4212 4.4235 4.4235 5.3881 5.3881 5.3897 5.3897 6.0079 6.0079 6.0119 6.0119 6.0946 6.0946 6.0967 6.0967 6.3704 6.3704 6.3712 6.3712 7.8459 7.8459 7.8511 7.8511 8.2110 8.2110 8.2166 8.2166 9.8158 9.8158 9.8163 9.8163 13.1030 13.1030 13.1032 13.1032 k = 0.5000-0.0000-0.0000 ( 3402 PWs) bands (ev): -5.4924 -5.4924 -5.4924 -5.4924 -2.7991 -2.7991 -2.7991 -2.7991 2.5228 2.5228 2.5228 2.5228 3.7665 3.7665 3.7665 3.7665 3.8881 3.8881 3.8881 3.8881 4.4211 4.4211 4.4212 4.4212 5.3892 5.3892 5.3892 5.3892 6.0102 6.0102 6.0103 6.0103 6.0957 6.0957 6.0957 6.0957 6.3720 6.3720 6.3720 6.3720 7.8581 7.8581 7.8581 7.8581 8.2044 8.2044 8.2044 8.2044 9.8148 9.8148 9.8148 9.8148 13.1005 13.1005 13.1005 13.1005 k = 0.5000 0.3797-0.0000 ( 3392 PWs) bands (ev): -5.1283 -5.1283 -5.1281 -5.1281 -3.3749 -3.3749 -3.3684 -3.3684 3.1390 3.1390 3.1511 3.1511 3.2483 3.2483 3.2574 3.2574 3.8138 3.8138 3.8490 3.8490 4.6095 4.6095 4.6532 4.6532 4.7104 4.7104 4.7144 4.7144 5.7718 5.7718 5.9089 5.9089 5.9686 5.9686 6.0558 6.0558 6.1388 6.1388 6.1591 6.1591 7.4457 7.4457 7.4503 7.4503 10.0116 10.0116 10.0142 10.0142 10.2928 10.2928 10.3200 10.3200 15.2281 15.2281 15.2457 15.2457 k = 0.5000 0.3797 0.0109 ( 3392 PWs) bands (ev): -5.1281 -5.1281 -5.1279 -5.1279 -3.3751 -3.3751 -3.3686 -3.3686 3.1340 3.1340 3.1455 3.1455 3.2410 3.2410 3.2499 3.2499 3.8261 3.8261 3.8606 3.8606 4.6100 4.6100 4.6530 4.6530 4.7122 4.7122 4.7167 4.7167 5.7728 5.7728 5.9094 5.9094 5.9692 5.9692 6.0558 6.0558 6.1389 6.1389 6.1593 6.1593 7.4470 7.4470 7.4515 7.4515 10.0102 10.0102 10.0127 10.0127 10.2914 10.2914 10.3186 10.3186 15.2213 15.2213 15.2387 15.2387 k = 0.5000 0.3797 0.0218 ( 3392 PWs) bands (ev): -5.1275 -5.1275 -5.1273 -5.1273 -3.3756 -3.3756 -3.3691 -3.3691 3.1187 3.1187 3.1285 3.1285 3.2215 3.2215 3.2303 3.2303 3.8606 3.8606 3.8934 3.8934 4.6115 4.6115 4.6525 4.6525 4.7174 4.7174 4.7234 4.7234 5.7759 5.7759 5.9110 5.9110 5.9709 5.9709 6.0560 6.0560 6.1394 6.1394 6.1597 6.1597 7.4507 7.4507 7.4549 7.4549 10.0058 10.0058 10.0083 10.0083 10.2872 10.2872 10.3144 10.3144 15.2010 15.2010 15.2181 15.2181 k = 0.5000 0.3797 0.0327 ( 3396 PWs) bands (ev): -5.1264 -5.1264 -5.1262 -5.1262 -3.3764 -3.3764 -3.3700 -3.3700 3.0925 3.0925 3.0996 3.0996 3.1949 3.1949 3.2042 3.2042 3.9123 3.9123 3.9431 3.9431 4.6137 4.6137 4.6520 4.6520 4.7259 4.7259 4.7338 4.7338 5.7809 5.7809 5.9133 5.9133 5.9739 5.9739 6.0562 6.0562 6.1401 6.1401 6.1605 6.1605 7.4570 7.4570 7.4605 7.4605 9.9985 9.9985 10.0010 10.0010 10.2801 10.2801 10.3073 10.3073 15.1682 15.1682 15.1848 15.1848 k = 0.5000 0.3797 0.0436 ( 3388 PWs) bands (ev): -5.1249 -5.1249 -5.1247 -5.1247 -3.3776 -3.3776 -3.3712 -3.3712 3.0561 3.0561 3.0601 3.0601 3.1658 3.1658 3.1758 3.1758 3.9759 3.9759 4.0048 4.0048 4.6164 4.6164 4.6518 4.6518 4.7377 4.7377 4.7474 4.7474 5.7878 5.7878 5.9163 5.9163 5.9783 5.9783 6.0567 6.0567 6.1413 6.1413 6.1616 6.1616 7.4660 7.4660 7.4687 7.4687 9.9885 9.9885 9.9908 9.9908 10.2700 10.2700 10.2972 10.2972 15.1242 15.1242 15.1401 15.1401 k = 0.5000 0.3797 0.0544 ( 3392 PWs) bands (ev): -5.1230 -5.1230 -5.1229 -5.1229 -3.3790 -3.3790 -3.3727 -3.3727 3.0118 3.0118 3.0132 3.0132 3.1356 3.1356 3.1461 3.1461 4.0477 4.0477 4.0749 4.0749 4.6194 4.6194 4.6520 4.6520 4.7523 4.7523 4.7635 4.7635 5.7964 5.7964 5.9194 5.9194 5.9843 5.9843 6.0572 6.0572 6.1429 6.1429 6.1631 6.1631 7.4776 7.4776 7.4792 7.4792 9.9756 9.9756 9.9778 9.9778 10.2569 10.2569 10.2841 10.2841 15.0707 15.0707 15.0859 15.0859 k = 0.5000 0.3797 0.0653 ( 3392 PWs) bands (ev): -5.1208 -5.1208 -5.1206 -5.1206 -3.3808 -3.3808 -3.3746 -3.3746 2.9623 2.9623 2.9628 2.9628 3.1042 3.1042 3.1148 3.1148 4.1250 4.1250 4.1507 4.1507 4.6227 4.6227 4.6527 4.6527 4.7693 4.7693 4.7817 4.7817 5.8066 5.8066 5.9225 5.9225 5.9920 5.9920 6.0579 6.0579 6.1450 6.1450 6.1650 6.1650 7.4921 7.4921 7.4924 7.4924 9.9600 9.9600 9.9621 9.9621 10.2406 10.2406 10.2678 10.2678 15.0095 15.0095 15.0239 15.0239 k = 0.5000 0.3797 0.0762 ( 3388 PWs) bands (ev): -5.1182 -5.1182 -5.1180 -5.1180 -3.3828 -3.3828 -3.3768 -3.3768 2.9097 2.9097 2.9117 2.9117 3.0713 3.0713 3.0817 3.0817 4.2061 4.2061 4.2304 4.2304 4.6262 4.6262 4.6538 4.6538 4.7883 4.7883 4.8015 4.8015 5.8182 5.8182 5.9253 5.9253 6.0013 6.0013 6.0588 6.0588 6.1480 6.1480 6.1674 6.1674 7.5084 7.5084 7.5095 7.5095 9.9418 9.9418 9.9436 9.9436 10.2210 10.2210 10.2483 10.2483 14.9424 14.9424 14.9561 14.9561 k = 0.5000 0.3797 0.0871 ( 3380 PWs) bands (ev): -5.1153 -5.1153 -5.1151 -5.1151 -3.3851 -3.3851 -3.3792 -3.3792 2.8571 2.8571 2.8602 2.8602 3.0368 3.0368 3.0469 3.0469 4.2894 4.2894 4.3124 4.3124 4.6299 4.6299 4.6554 4.6554 4.8087 4.8087 4.8225 4.8225 5.8308 5.8308 5.9277 5.9277 6.0119 6.0119 6.0599 6.0599 6.1519 6.1519 6.1703 6.1703 7.5272 7.5272 7.5300 7.5300 9.9209 9.9209 9.9225 9.9225 10.1982 10.1982 10.2255 10.2255 14.8714 14.8714 14.8842 14.8842 k = 0.5000 0.3797 0.0980 ( 3380 PWs) bands (ev): -5.1120 -5.1120 -5.1119 -5.1119 -3.3876 -3.3876 -3.3819 -3.3819 2.8055 2.8055 2.8093 2.8093 3.0009 3.0009 3.0105 3.0105 4.3737 4.3737 4.3954 4.3954 4.6338 4.6338 4.6574 4.6574 4.8304 4.8304 4.8445 4.8445 5.8441 5.8441 5.9297 5.9297 6.0233 6.0233 6.0612 6.0612 6.1570 6.1570 6.1739 6.1739 7.5492 7.5492 7.5538 7.5538 9.8974 9.8974 9.8987 9.8987 10.1721 10.1721 10.1993 10.1993 14.7978 14.7978 14.8099 14.8099 k = 0.5000 0.3797 0.1089 ( 3380 PWs) bands (ev): -5.1086 -5.1086 -5.1084 -5.1084 -3.3903 -3.3903 -3.3848 -3.3848 2.7556 2.7556 2.7600 2.7600 2.9640 2.9640 2.9731 2.9731 4.4577 4.4577 4.4780 4.4780 4.6382 4.6382 4.6599 4.6599 4.8530 4.8530 4.8677 4.8677 5.8576 5.8576 5.9312 5.9312 6.0348 6.0348 6.0628 6.0628 6.1638 6.1638 6.1783 6.1783 7.5744 7.5744 7.5809 7.5809 9.8713 9.8713 9.8721 9.8721 10.1429 10.1429 10.1699 10.1699 14.7234 14.7234 14.7347 14.7347 k = 0.5000 0.3797 0.1198 ( 3364 PWs) bands (ev): -5.1049 -5.1049 -5.1048 -5.1048 -3.3932 -3.3932 -3.3878 -3.3878 2.7079 2.7079 2.7126 2.7126 2.9264 2.9264 2.9350 2.9350 4.5394 4.5394 4.5583 4.5583 4.6440 4.6440 4.6633 4.6633 4.8769 4.8769 4.8927 4.8927 5.8710 5.8710 5.9322 5.9322 6.0459 6.0459 6.0648 6.0648 6.1725 6.1725 6.1836 6.1836 7.6031 7.6031 7.6117 7.6117 9.8424 9.8424 9.8427 9.8427 10.1107 10.1107 10.1375 10.1375 14.6494 14.6494 14.6600 14.6600 k = 0.5000 0.3797 0.1307 ( 3360 PWs) bands (ev): -5.1011 -5.1011 -5.1009 -5.1009 -3.3962 -3.3962 -3.3911 -3.3911 2.6626 2.6626 2.6676 2.6676 2.8885 2.8885 2.8965 2.8965 4.6106 4.6106 4.6308 4.6308 4.6571 4.6571 4.6708 4.6708 4.9030 4.9030 4.9206 4.9206 5.8836 5.8836 5.9329 5.9329 6.0558 6.0558 6.0670 6.0670 6.1834 6.1834 6.1899 6.1899 7.6354 7.6354 7.6461 7.6461 9.8102 9.8102 9.8106 9.8106 10.0759 10.0759 10.1022 10.1022 14.5768 14.5768 14.5868 14.5868 k = 0.5000 0.3797 0.1415 ( 3364 PWs) bands (ev): -5.0971 -5.0971 -5.0970 -5.0970 -3.3994 -3.3994 -3.3944 -3.3944 2.6200 2.6200 2.6252 2.6252 2.8506 2.8506 2.8582 2.8582 4.6395 4.6395 4.6612 4.6612 4.7070 4.7070 4.7136 4.7136 4.9331 4.9331 4.9537 4.9537 5.8950 5.8950 5.9330 5.9330 6.0642 6.0642 6.0695 6.0695 6.1963 6.1963 6.1973 6.1973 7.6715 7.6715 7.6842 7.6842 9.7743 9.7743 9.7757 9.7757 10.0390 10.0390 10.0646 10.0646 14.5067 14.5067 14.5161 14.5161 k = 0.5000 0.3797 0.1524 ( 3360 PWs) bands (ev): -5.0931 -5.0931 -5.0930 -5.0930 -3.4026 -3.4026 -3.3979 -3.3979 2.5803 2.5803 2.5856 2.5856 2.8132 2.8132 2.8203 2.8203 4.6472 4.6472 4.6667 4.6667 4.7685 4.7685 4.7710 4.7710 4.9705 4.9705 4.9949 4.9949 5.9048 5.9048 5.9326 5.9326 6.0711 6.0711 6.0724 6.0724 6.2059 6.2059 6.2111 6.2111 7.7114 7.7114 7.7263 7.7263 9.7347 9.7347 9.7373 9.7373 10.0007 10.0007 10.0252 10.0252 14.4398 14.4398 14.4486 14.4486 k = 0.5000 0.3797 0.1633 ( 3360 PWs) bands (ev): -5.0890 -5.0890 -5.0889 -5.0889 -3.4058 -3.4058 -3.4014 -3.4014 2.5435 2.5435 2.5488 2.5488 2.7766 2.7766 2.7832 2.7832 4.6523 4.6523 4.6702 4.6702 4.8173 4.8173 4.8191 4.8191 5.0186 5.0186 5.0464 5.0464 5.9126 5.9126 5.9318 5.9318 6.0754 6.0754 6.0765 6.0765 6.2157 6.2157 6.2273 6.2273 7.7553 7.7553 7.7721 7.7721 9.6908 9.6908 9.6951 9.6951 9.9618 9.9618 9.9849 9.9849 14.3768 14.3768 14.3849 14.3849 k = 0.5000 0.3797 0.1742 ( 3360 PWs) bands (ev): -5.0850 -5.0850 -5.0849 -5.0849 -3.4090 -3.4090 -3.4048 -3.4048 2.5099 2.5099 2.5151 2.5151 2.7411 2.7411 2.7473 2.7473 4.6567 4.6567 4.6733 4.6733 4.8514 4.8514 4.8560 4.8560 5.0773 5.0773 5.1069 5.1069 5.9182 5.9182 5.9302 5.9302 6.0785 6.0785 6.0808 6.0808 6.2267 6.2267 6.2441 6.2441 7.8031 7.8031 7.8218 7.8218 9.6422 9.6422 9.6485 9.6485 9.9232 9.9232 9.9445 9.9445 14.3180 14.3180 14.3256 14.3256 k = 0.5000 0.3797 0.1851 ( 3368 PWs) bands (ev): -5.0811 -5.0811 -5.0810 -5.0810 -3.4121 -3.4121 -3.4083 -3.4083 2.4793 2.4793 2.4844 2.4844 2.7069 2.7069 2.7128 2.7128 4.6609 4.6609 4.6762 4.6762 4.8763 4.8763 4.8821 4.8821 5.1431 5.1431 5.1727 5.1727 5.9216 5.9216 5.9280 5.9280 6.0814 6.0814 6.0841 6.0841 6.2388 6.2388 6.2612 6.2612 7.8548 7.8548 7.8752 7.8752 9.5888 9.5888 9.5973 9.5973 9.8858 9.8858 9.9050 9.9050 14.2639 14.2639 14.2710 14.2710 k = 0.5000 0.3797 0.1960 ( 3364 PWs) bands (ev): -5.0772 -5.0772 -5.0772 -5.0772 -3.4152 -3.4152 -3.4116 -3.4116 2.4518 2.4518 2.4568 2.4568 2.6745 2.6745 2.6799 2.6799 4.6649 4.6649 4.6789 4.6789 4.8948 4.8948 4.9011 4.9011 5.2116 5.2116 5.2405 5.2405 5.9229 5.9229 5.9251 5.9251 6.0843 6.0843 6.0867 6.0867 6.2517 6.2517 6.2779 6.2779 7.9103 7.9103 7.9322 7.9322 9.5305 9.5305 9.5414 9.5414 9.8502 9.8502 9.8671 9.8671 14.2148 14.2148 14.2212 14.2212 k = 0.5000 0.3797 0.2069 ( 3364 PWs) bands (ev): -5.0736 -5.0736 -5.0735 -5.0735 -3.4180 -3.4180 -3.4148 -3.4148 2.4275 2.4275 2.4323 2.4323 2.6441 2.6441 2.6491 2.6491 4.6686 4.6686 4.6815 4.6815 4.9092 4.9092 4.9154 4.9154 5.2799 5.2799 5.3076 5.3076 5.9211 5.9211 5.9218 5.9218 6.0869 6.0869 6.0887 6.0887 6.2651 6.2651 6.2939 6.2939 7.9693 7.9693 7.9924 7.9924 9.4676 9.4676 9.4807 9.4807 9.8169 9.8169 9.8315 9.8315 14.1706 14.1706 14.1765 14.1765 k = 0.5000 0.3797 0.2178 ( 3364 PWs) bands (ev): -5.0702 -5.0702 -5.0701 -5.0701 -3.4207 -3.4207 -3.4178 -3.4178 2.4062 2.4062 2.4107 2.4107 2.6159 2.6159 2.6205 2.6205 4.6722 4.6722 4.6838 4.6838 4.9204 4.9204 4.9265 4.9265 5.3461 5.3461 5.3723 5.3723 5.9162 5.9162 5.9187 5.9187 6.0892 6.0892 6.0903 6.0903 6.2788 6.2788 6.3088 6.3088 8.0315 8.0315 8.0556 8.0556 9.4007 9.4007 9.4159 9.4159 9.7864 9.7864 9.7988 9.7988 14.1315 14.1315 14.1369 14.1369 k = 0.5000 0.3797 0.2286 ( 3364 PWs) bands (ev): -5.0671 -5.0671 -5.0670 -5.0670 -3.4232 -3.4232 -3.4206 -3.4206 2.3879 2.3879 2.3921 2.3921 2.5901 2.5901 2.5943 2.5943 4.6756 4.6756 4.6859 4.6859 4.9295 4.9295 4.9352 4.9352 5.4089 5.4089 5.4333 5.4333 5.9102 5.9102 5.9135 5.9135 6.0911 6.0911 6.0916 6.0916 6.2924 6.2924 6.3222 6.3222 8.0964 8.0964 8.1212 8.1212 9.3305 9.3305 9.3476 9.3476 9.7589 9.7589 9.7692 9.7692 14.0975 14.0975 14.1022 14.1022 k = 0.5000 0.3797 0.2395 ( 3368 PWs) bands (ev): -5.0643 -5.0643 -5.0642 -5.0642 -3.4254 -3.4254 -3.4232 -3.4232 2.3725 2.3725 2.3763 2.3763 2.5672 2.5672 2.5709 2.5709 4.6787 4.6787 4.6876 4.6876 4.9368 4.9368 4.9419 4.9419 5.4675 5.4675 5.4898 5.4898 5.9030 5.9030 5.9064 5.9064 6.0927 6.0927 6.0927 6.0927 6.3055 6.3055 6.3338 6.3338 8.1634 8.1634 8.1884 8.1884 9.2583 9.2583 9.2767 9.2767 9.7345 9.7345 9.7430 9.7430 14.0685 14.0685 14.0726 14.0726 k = 0.5000 0.3797 0.2504 ( 3360 PWs) bands (ev): -5.0618 -5.0618 -5.0618 -5.0618 -3.4273 -3.4273 -3.4254 -3.4254 2.3599 2.3599 2.3633 2.3633 2.5472 2.5472 2.5505 2.5505 4.6816 4.6816 4.6890 4.6890 4.9427 4.9427 4.9472 4.9472 5.5210 5.5210 5.5409 5.5409 5.8946 5.8946 5.8975 5.8975 6.0936 6.0936 6.0940 6.0940 6.3180 6.3180 6.3436 6.3436 8.2316 8.2316 8.2563 8.2563 9.1854 9.1854 9.2046 9.2046 9.7136 9.7136 9.7203 9.7203 14.0443 14.0443 14.0478 14.0478 k = 0.5000 0.3797 0.2613 ( 3356 PWs) bands (ev): -5.0598 -5.0598 -5.0597 -5.0597 -3.4288 -3.4288 -3.4273 -3.4273 2.3500 2.3500 2.3528 2.3528 2.5305 2.5305 2.5332 2.5332 4.6841 4.6841 4.6901 4.6901 4.9473 4.9473 4.9511 4.9511 5.5688 5.5688 5.5859 5.5859 5.8851 5.8851 5.8872 5.8872 6.0944 6.0944 6.0949 6.0949 6.3294 6.3294 6.3513 6.3513 8.2994 8.2994 8.3232 8.3232 9.1138 9.1138 9.1331 9.1331 9.6962 9.6962 9.7014 9.7014 14.0249 14.0249 14.0277 14.0277 k = 0.5000 0.3797 0.2722 ( 3364 PWs) bands (ev): -5.0582 -5.0582 -5.0581 -5.0581 -3.4300 -3.4300 -3.4289 -3.4289 2.3426 2.3426 2.3448 2.3448 2.5173 2.5173 2.5194 2.5194 4.6862 4.6862 4.6907 4.6907 4.9510 4.9510 4.9538 4.9538 5.6098 5.6098 5.6237 5.6237 5.8749 5.8749 5.8760 5.8760 6.0950 6.0950 6.0956 6.0956 6.3394 6.3394 6.3566 6.3566 8.3647 8.3647 8.3863 8.3863 9.0465 9.0465 9.0649 9.0649 9.6825 9.6825 9.6863 9.6863 14.0100 14.0100 14.0121 14.0121 k = 0.5000 0.3797 0.2831 ( 3368 PWs) bands (ev): -5.0570 -5.0570 -5.0569 -5.0569 -3.4309 -3.4309 -3.4301 -3.4301 2.3375 2.3375 2.3390 2.3390 2.5078 2.5078 2.5093 2.5093 4.6879 4.6879 4.6910 4.6910 4.9536 4.9536 4.9556 4.9556 5.6428 5.6428 5.6527 5.6527 5.8650 5.8650 5.8653 5.8653 6.0955 6.0955 6.0960 6.0960 6.3477 6.3477 6.3595 6.3595 8.4232 8.4232 8.4407 8.4407 8.9888 8.9888 9.0042 9.0042 9.6728 9.6728 9.6753 9.6753 13.9996 13.9996 14.0010 14.0010 k = 0.5000 0.3797 0.2940 ( 3368 PWs) bands (ev): -5.0563 -5.0563 -5.0562 -5.0562 -3.4313 -3.4313 -3.4309 -3.4309 2.3347 2.3347 2.3355 2.3355 2.5022 2.5022 2.5029 2.5029 4.6893 4.6893 4.6909 4.6909 4.9554 4.9554 4.9564 4.9564 5.6655 5.6655 5.6708 5.6708 5.8572 5.8572 5.8573 5.8573 6.0959 6.0959 6.0961 6.0961 6.3540 6.3540 6.3601 6.3601 8.4679 8.4679 8.4782 8.4782 8.9491 8.9491 8.9583 8.9583 9.6672 9.6672 9.6684 9.6684 13.9935 13.9935 13.9943 13.9943 k = 0.5000 0.3797 0.3049 ( 3368 PWs) bands (ev): -5.0560 -5.0560 -5.0560 -5.0560 -3.4313 -3.4313 -3.4313 -3.4313 2.3340 2.3340 2.3341 2.3341 2.5006 2.5006 2.5006 2.5006 4.6903 4.6903 4.6903 4.6903 4.9563 4.9563 4.9563 4.9563 5.6754 5.6754 5.6754 5.6754 5.8542 5.8542 5.8542 5.8542 6.0961 6.0961 6.0961 6.0961 6.3582 6.3582 6.3582 6.3582 8.4886 8.4886 8.4886 8.4886 8.9375 8.9375 8.9376 8.9376 9.6657 9.6657 9.6657 9.6657 13.9918 13.9918 13.9918 13.9918 Writing output data file CuS2.save init_run : 0.19s CPU 0.34s WALL ( 1 calls) electrons : 169.84s CPU 172.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 169.84s CPU 172.96s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 440 calls) cegterg : 153.39s CPU 155.56s WALL ( 497 calls) Called by sum_band: Called by *egterg: h_psi : 85.36s CPU 86.95s WALL ( 8548 calls) s_psi : 8.99s CPU 8.89s WALL ( 8548 calls) g_psi : 0.22s CPU 0.22s WALL ( 7611 calls) cdiaghg : 55.07s CPU 56.11s WALL ( 8051 calls) cegterg:over : 6.24s CPU 6.28s WALL ( 7611 calls) cegterg:upda : 4.72s CPU 4.65s WALL ( 7611 calls) cegterg:last : 3.22s CPU 3.17s WALL ( 1377 calls) cdiaghg:chol : 2.98s CPU 3.17s WALL ( 8051 calls) cdiaghg:inve : 1.87s CPU 2.08s WALL ( 8051 calls) cdiaghg:para : 3.36s CPU 3.35s WALL ( 16102 calls) Called by h_psi: h_psi:vloc : 66.24s CPU 67.82s WALL ( 8548 calls) h_psi:vnl : 18.82s CPU 18.90s WALL ( 8548 calls) add_vuspsi : 10.41s CPU 10.70s WALL ( 8548 calls) General routines calbec : 8.37s CPU 8.18s WALL ( 8548 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 62.69s CPU 64.06s WALL ( 974264 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.26s WALL ( 880 calls) Parallel routines fft_scatter : 25.84s CPU 26.42s WALL ( 974287 calls) PWSCF : 3m10.05s CPU 3m31.02s WALL This run was terminated on: 18: 0:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=