Program PWSCF v.5.1.1 starts on 20Jul2015 at 14: 4:47 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./GeSe2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 15 4 861 589 94 Max 20 16 5 872 608 105 Sum 949 749 221 41717 28829 4739 bravais-lattice index = 14 lattice parameter (alat) = 10.0891 a.u. unit-cell volume = 1930.4789 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 23.0000 Ry charge density cutoff = 118.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.089058 celldm(2)= 1.000000 celldm(3)= 1.879807 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.879807 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.531970 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Se 6.00 78.96000 Se( 1.00) 4 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 3) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group S_4 (-4) there are 8 classes and 4 irreducible representations the character table: E -E S4 -S4 C2 -C2 S4^3 -S4^3 G_1 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 G_2 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 G_3 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 G_4 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 imaginary part E -E S4 -S4 C2 -C2 S4^3 -S4^3 G_1 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 G_2 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 G_3 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 G_4 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 the symmetry operations in each class: E 1 C2 2 S4 3 S4^3 4 -E -1 -C2 -2 -S4 -3 -S4^3 -4 Cartesian axes number of k points= 261 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0038314 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0038314 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0038314 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0038314 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0038314 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0038314 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0038314 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0038314 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0038314 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0038314 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0038314 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0038314 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0038314 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0038314 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0038314 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0038314 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0038314 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0038314 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0038314 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0038314 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0038314 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0038314 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0038314 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0038314 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0038314 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0038314 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0038314 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0038314 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0038314 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038314 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038314 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0038314 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0038314 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0038314 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0038314 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0038314 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0038314 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0038314 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0038314 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0038314 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0038314 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0038314 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0038314 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0038314 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0038314 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0038314 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0038314 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0038314 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0038314 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0038314 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0038314 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0038314 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0038314 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0038314 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0038314 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0038314 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0038314 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0038314 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0038314 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0038314 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0038314 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0038314 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0038314 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0038314 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0038314 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0038314 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0038314 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0038314 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0038314 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0038314 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0038314 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0038314 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0038314 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038314 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0038314 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0038314 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0038314 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0038314 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0038314 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0038314 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0038314 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0038314 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0038314 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0038314 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0038314 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0038314 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0038314 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038314 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0038314 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0038314 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0038314 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0038314 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0038314 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0038314 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0038314 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0038314 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0038314 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0038314 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0038314 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0038314 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0038314 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0166240), wk = 0.0038314 k( 108) = ( 0.0000000 0.0000000 0.0332481), wk = 0.0038314 k( 109) = ( 0.0000000 0.0000000 0.0498721), wk = 0.0038314 k( 110) = ( 0.0000000 0.0000000 0.0664962), wk = 0.0038314 k( 111) = ( 0.0000000 0.0000000 0.0831202), wk = 0.0038314 k( 112) = ( 0.0000000 0.0000000 0.0997443), wk = 0.0038314 k( 113) = ( 0.0000000 0.0000000 0.1163683), wk = 0.0038314 k( 114) = ( 0.0000000 0.0000000 0.1329924), wk = 0.0038314 k( 115) = ( 0.0000000 0.0000000 0.1496164), wk = 0.0038314 k( 116) = ( 0.0000000 0.0000000 0.1662405), wk = 0.0038314 k( 117) = ( 0.0000000 0.0000000 0.1828645), wk = 0.0038314 k( 118) = ( 0.0000000 0.0000000 0.1994886), wk = 0.0038314 k( 119) = ( 0.0000000 0.0000000 0.2161126), wk = 0.0038314 k( 120) = ( 0.0000000 0.0000000 0.2327367), wk = 0.0038314 k( 121) = ( 0.0000000 0.0000000 0.2493607), wk = 0.0038314 k( 122) = ( 0.0000000 0.0000000 0.2659848), wk = 0.0038314 k( 123) = ( 0.0000000 0.0000000 0.2659848), wk = 0.0038314 k( 124) = ( 0.0000000 0.0166667 0.2659848), wk = 0.0038314 k( 125) = ( 0.0000000 0.0333333 0.2659848), wk = 0.0038314 k( 126) = ( 0.0000000 0.0500000 0.2659848), wk = 0.0038314 k( 127) = ( 0.0000000 0.0666667 0.2659848), wk = 0.0038314 k( 128) = ( 0.0000000 0.0833333 0.2659848), wk = 0.0038314 k( 129) = ( 0.0000000 0.1000000 0.2659848), wk = 0.0038314 k( 130) = ( 0.0000000 0.1166667 0.2659848), wk = 0.0038314 k( 131) = ( 0.0000000 0.1333333 0.2659848), wk = 0.0038314 k( 132) = ( 0.0000000 0.1500000 0.2659848), wk = 0.0038314 k( 133) = ( 0.0000000 0.1666667 0.2659848), wk = 0.0038314 k( 134) = ( 0.0000000 0.1833333 0.2659848), wk = 0.0038314 k( 135) = ( 0.0000000 0.2000000 0.2659848), wk = 0.0038314 k( 136) = ( 0.0000000 0.2166667 0.2659848), wk = 0.0038314 k( 137) = ( 0.0000000 0.2333333 0.2659848), wk = 0.0038314 k( 138) = ( 0.0000000 0.2500000 0.2659848), wk = 0.0038314 k( 139) = ( 0.0000000 0.2666667 0.2659848), wk = 0.0038314 k( 140) = ( 0.0000000 0.2833333 0.2659848), wk = 0.0038314 k( 141) = ( 0.0000000 0.3000000 0.2659848), wk = 0.0038314 k( 142) = ( 0.0000000 0.3166667 0.2659848), wk = 0.0038314 k( 143) = ( 0.0000000 0.3333333 0.2659848), wk = 0.0038314 k( 144) = ( 0.0000000 0.3500000 0.2659848), wk = 0.0038314 k( 145) = ( 0.0000000 0.3666667 0.2659848), wk = 0.0038314 k( 146) = ( 0.0000000 0.3833333 0.2659848), wk = 0.0038314 k( 147) = ( 0.0000000 0.4000000 0.2659848), wk = 0.0038314 k( 148) = ( 0.0000000 0.4166667 0.2659848), wk = 0.0038314 k( 149) = ( 0.0000000 0.4333333 0.2659848), wk = 0.0038314 k( 150) = ( 0.0000000 0.4500000 0.2659848), wk = 0.0038314 k( 151) = ( 0.0000000 0.4666667 0.2659848), wk = 0.0038314 k( 152) = ( 0.0000000 0.4833333 0.2659848), wk = 0.0038314 k( 153) = ( 0.0000000 0.5000000 0.2659848), wk = 0.0038314 k( 154) = ( 0.0000000 0.5000000 0.2659848), wk = 0.0038314 k( 155) = ( 0.0166667 0.5000000 0.2659848), wk = 0.0038314 k( 156) = ( 0.0333333 0.5000000 0.2659848), wk = 0.0038314 k( 157) = ( 0.0500000 0.5000000 0.2659848), wk = 0.0038314 k( 158) = ( 0.0666667 0.5000000 0.2659848), wk = 0.0038314 k( 159) = ( 0.0833333 0.5000000 0.2659848), wk = 0.0038314 k( 160) = ( 0.1000000 0.5000000 0.2659848), wk = 0.0038314 k( 161) = ( 0.1166667 0.5000000 0.2659848), wk = 0.0038314 k( 162) = ( 0.1333333 0.5000000 0.2659848), wk = 0.0038314 k( 163) = ( 0.1500000 0.5000000 0.2659848), wk = 0.0038314 k( 164) = ( 0.1666667 0.5000000 0.2659848), wk = 0.0038314 k( 165) = ( 0.1833333 0.5000000 0.2659848), wk = 0.0038314 k( 166) = ( 0.2000000 0.5000000 0.2659848), wk = 0.0038314 k( 167) = ( 0.2166667 0.5000000 0.2659848), wk = 0.0038314 k( 168) = ( 0.2333333 0.5000000 0.2659848), wk = 0.0038314 k( 169) = ( 0.2500000 0.5000000 0.2659848), wk = 0.0038314 k( 170) = ( 0.2666667 0.5000000 0.2659848), wk = 0.0038314 k( 171) = ( 0.2833333 0.5000000 0.2659848), wk = 0.0038314 k( 172) = ( 0.3000000 0.5000000 0.2659848), wk = 0.0038314 k( 173) = ( 0.3166667 0.5000000 0.2659848), wk = 0.0038314 k( 174) = ( 0.3333333 0.5000000 0.2659848), wk = 0.0038314 k( 175) = ( 0.3500000 0.5000000 0.2659848), wk = 0.0038314 k( 176) = ( 0.3666667 0.5000000 0.2659848), wk = 0.0038314 k( 177) = ( 0.3833333 0.5000000 0.2659848), wk = 0.0038314 k( 178) = ( 0.4000000 0.5000000 0.2659848), wk = 0.0038314 k( 179) = ( 0.4166667 0.5000000 0.2659848), wk = 0.0038314 k( 180) = ( 0.4333333 0.5000000 0.2659848), wk = 0.0038314 k( 181) = ( 0.4500000 0.5000000 0.2659848), wk = 0.0038314 k( 182) = ( 0.4666667 0.5000000 0.2659848), wk = 0.0038314 k( 183) = ( 0.4833333 0.5000000 0.2659848), wk = 0.0038314 k( 184) = ( 0.5000000 0.5000000 0.2659848), wk = 0.0038314 k( 185) = ( 0.5000000 0.5000000 0.2659848), wk = 0.0038314 k( 186) = ( 0.4880952 0.4880952 0.2659848), wk = 0.0038314 k( 187) = ( 0.4761905 0.4761905 0.2659848), wk = 0.0038314 k( 188) = ( 0.4642857 0.4642857 0.2659848), wk = 0.0038314 k( 189) = ( 0.4523810 0.4523809 0.2659848), wk = 0.0038314 k( 190) = ( 0.4404762 0.4404762 0.2659848), wk = 0.0038314 k( 191) = ( 0.4285714 0.4285714 0.2659848), wk = 0.0038314 k( 192) = ( 0.4166667 0.4166667 0.2659848), wk = 0.0038314 k( 193) = ( 0.4047619 0.4047619 0.2659848), wk = 0.0038314 k( 194) = ( 0.3928571 0.3928571 0.2659848), wk = 0.0038314 k( 195) = ( 0.3809524 0.3809524 0.2659848), wk = 0.0038314 k( 196) = ( 0.3690476 0.3690476 0.2659848), wk = 0.0038314 k( 197) = ( 0.3571429 0.3571429 0.2659848), wk = 0.0038314 k( 198) = ( 0.3452381 0.3452381 0.2659848), wk = 0.0038314 k( 199) = ( 0.3333333 0.3333333 0.2659848), wk = 0.0038314 k( 200) = ( 0.3214286 0.3214286 0.2659848), wk = 0.0038314 k( 201) = ( 0.3095238 0.3095238 0.2659848), wk = 0.0038314 k( 202) = ( 0.2976190 0.2976190 0.2659848), wk = 0.0038314 k( 203) = ( 0.2857143 0.2857143 0.2659848), wk = 0.0038314 k( 204) = ( 0.2738095 0.2738095 0.2659848), wk = 0.0038314 k( 205) = ( 0.2619048 0.2619048 0.2659848), wk = 0.0038314 k( 206) = ( 0.2500000 0.2500000 0.2659848), wk = 0.0038314 k( 207) = ( 0.2380952 0.2380952 0.2659848), wk = 0.0038314 k( 208) = ( 0.2261905 0.2261905 0.2659848), wk = 0.0038314 k( 209) = ( 0.2142857 0.2142857 0.2659848), wk = 0.0038314 k( 210) = ( 0.2023810 0.2023809 0.2659848), wk = 0.0038314 k( 211) = ( 0.1904762 0.1904762 0.2659848), wk = 0.0038314 k( 212) = ( 0.1785714 0.1785714 0.2659848), wk = 0.0038314 k( 213) = ( 0.1666667 0.1666667 0.2659848), wk = 0.0038314 k( 214) = ( 0.1547619 0.1547619 0.2659848), wk = 0.0038314 k( 215) = ( 0.1428571 0.1428571 0.2659848), wk = 0.0038314 k( 216) = ( 0.1309524 0.1309524 0.2659848), wk = 0.0038314 k( 217) = ( 0.1190476 0.1190476 0.2659848), wk = 0.0038314 k( 218) = ( 0.1071429 0.1071429 0.2659848), wk = 0.0038314 k( 219) = ( 0.0952381 0.0952381 0.2659848), wk = 0.0038314 k( 220) = ( 0.0833333 0.0833333 0.2659848), wk = 0.0038314 k( 221) = ( 0.0714286 0.0714286 0.2659848), wk = 0.0038314 k( 222) = ( 0.0595238 0.0595238 0.2659848), wk = 0.0038314 k( 223) = ( 0.0476191 0.0476190 0.2659848), wk = 0.0038314 k( 224) = ( 0.0357143 0.0357143 0.2659848), wk = 0.0038314 k( 225) = ( 0.0238095 0.0238095 0.2659848), wk = 0.0038314 k( 226) = ( 0.0119048 0.0119048 0.2659848), wk = 0.0038314 k( 227) = ( 0.0000000 0.0000000 0.2659848), wk = 0.0038314 k( 228) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038314 k( 229) = ( 0.0000000 0.5000000 0.0166240), wk = 0.0038314 k( 230) = ( 0.0000000 0.5000000 0.0332481), wk = 0.0038314 k( 231) = ( 0.0000000 0.5000000 0.0498721), wk = 0.0038314 k( 232) = ( 0.0000000 0.5000000 0.0664962), wk = 0.0038314 k( 233) = ( 0.0000000 0.5000000 0.0831202), wk = 0.0038314 k( 234) = ( 0.0000000 0.5000000 0.0997443), wk = 0.0038314 k( 235) = ( 0.0000000 0.5000000 0.1163683), wk = 0.0038314 k( 236) = ( 0.0000000 0.5000000 0.1329924), wk = 0.0038314 k( 237) = ( 0.0000000 0.5000000 0.1496164), wk = 0.0038314 k( 238) = ( 0.0000000 0.5000000 0.1662405), wk = 0.0038314 k( 239) = ( 0.0000000 0.5000000 0.1828645), wk = 0.0038314 k( 240) = ( 0.0000000 0.5000000 0.1994886), wk = 0.0038314 k( 241) = ( 0.0000000 0.5000000 0.2161126), wk = 0.0038314 k( 242) = ( 0.0000000 0.5000000 0.2327367), wk = 0.0038314 k( 243) = ( 0.0000000 0.5000000 0.2493607), wk = 0.0038314 k( 244) = ( 0.0000000 0.5000000 0.2659848), wk = 0.0038314 k( 245) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 246) = ( 0.5000000 0.5000000 0.0166240), wk = 0.0038314 k( 247) = ( 0.5000000 0.5000000 0.0332481), wk = 0.0038314 k( 248) = ( 0.5000000 0.5000000 0.0498721), wk = 0.0038314 k( 249) = ( 0.5000000 0.5000000 0.0664962), wk = 0.0038314 k( 250) = ( 0.5000000 0.5000000 0.0831202), wk = 0.0038314 k( 251) = ( 0.5000000 0.5000000 0.0997443), wk = 0.0038314 k( 252) = ( 0.5000000 0.5000000 0.1163683), wk = 0.0038314 k( 253) = ( 0.5000000 0.5000000 0.1329924), wk = 0.0038314 k( 254) = ( 0.5000000 0.5000000 0.1496164), wk = 0.0038314 k( 255) = ( 0.5000000 0.5000000 0.1662405), wk = 0.0038314 k( 256) = ( 0.5000000 0.5000000 0.1828645), wk = 0.0038314 k( 257) = ( 0.5000000 0.5000000 0.1994886), wk = 0.0038314 k( 258) = ( 0.5000000 0.5000000 0.2161126), wk = 0.0038314 k( 259) = ( 0.5000000 0.5000000 0.2327367), wk = 0.0038314 k( 260) = ( 0.5000000 0.5000000 0.2493607), wk = 0.0038314 k( 261) = ( 0.5000000 0.5000000 0.2659848), wk = 0.0038314 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0038314 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0038314 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0038314 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0038314 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0038314 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0038314 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0038314 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0038314 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0038314 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0038314 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0038314 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0038314 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0038314 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0038314 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0038314 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0038314 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0038314 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0038314 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0038314 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0038314 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0038314 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0038314 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0038314 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0038314 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0038314 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0038314 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0038314 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0038314 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0038314 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038314 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038314 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0038314 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0038314 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0038314 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0038314 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0038314 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0038314 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0038314 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0038314 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0038314 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0038314 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0038314 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0038314 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0038314 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0038314 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0038314 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0038314 k( 49) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0038314 k( 50) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0038314 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0038314 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0038314 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0038314 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0038314 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0038314 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0038314 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0038314 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0038314 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0038314 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0038314 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0038314 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038314 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038314 k( 64) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0038314 k( 65) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0038314 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0038314 k( 67) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0038314 k( 68) = ( 0.4404762 0.4404762 0.0000000), wk = 0.0038314 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0038314 k( 70) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0038314 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0038314 k( 72) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0038314 k( 73) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0038314 k( 74) = ( 0.3690476 0.3690476 0.0000000), wk = 0.0038314 k( 75) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0038314 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0038314 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038314 k( 78) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0038314 k( 79) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0038314 k( 80) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0038314 k( 81) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0038314 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0038314 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0038314 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0038314 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0038314 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0038314 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0038314 k( 88) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0038314 k( 89) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0038314 k( 90) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0038314 k( 91) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0038314 k( 92) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0038314 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0038314 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0038314 k( 95) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0038314 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0038314 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0038314 k( 98) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0038314 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0038314 k( 100) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0038314 k( 101) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0038314 k( 102) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0038314 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0038314 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0038314 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0038314 k( 108) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0038314 k( 109) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0038314 k( 110) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0038314 k( 111) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0038314 k( 112) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0038314 k( 113) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0038314 k( 114) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038314 k( 115) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0038314 k( 116) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0038314 k( 117) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0038314 k( 118) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0038314 k( 119) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0038314 k( 120) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0038314 k( 121) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0038314 k( 122) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 123) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 124) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0038314 k( 125) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0038314 k( 126) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0038314 k( 127) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0038314 k( 128) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0038314 k( 129) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0038314 k( 130) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0038314 k( 131) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0038314 k( 132) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0038314 k( 133) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0038314 k( 134) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0038314 k( 135) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0038314 k( 136) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0038314 k( 137) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0038314 k( 138) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0038314 k( 139) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0038314 k( 140) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0038314 k( 141) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0038314 k( 142) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0038314 k( 143) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0038314 k( 144) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0038314 k( 145) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0038314 k( 146) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0038314 k( 147) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0038314 k( 148) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0038314 k( 149) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0038314 k( 150) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0038314 k( 151) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0038314 k( 152) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0038314 k( 153) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038314 k( 154) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038314 k( 155) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0038314 k( 156) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0038314 k( 157) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0038314 k( 158) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0038314 k( 159) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0038314 k( 160) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0038314 k( 161) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0038314 k( 162) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0038314 k( 163) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0038314 k( 164) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0038314 k( 165) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0038314 k( 166) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0038314 k( 167) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0038314 k( 168) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0038314 k( 169) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0038314 k( 170) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0038314 k( 171) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0038314 k( 172) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0038314 k( 173) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0038314 k( 174) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0038314 k( 175) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0038314 k( 176) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0038314 k( 177) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0038314 k( 178) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0038314 k( 179) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0038314 k( 180) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0038314 k( 181) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0038314 k( 182) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0038314 k( 183) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0038314 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 186) = ( 0.4880952 0.4880952 0.5000000), wk = 0.0038314 k( 187) = ( 0.4761905 0.4761905 0.5000000), wk = 0.0038314 k( 188) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0038314 k( 189) = ( 0.4523810 0.4523810 0.5000000), wk = 0.0038314 k( 190) = ( 0.4404762 0.4404762 0.5000000), wk = 0.0038314 k( 191) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0038314 k( 192) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0038314 k( 193) = ( 0.4047619 0.4047619 0.5000000), wk = 0.0038314 k( 194) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0038314 k( 195) = ( 0.3809524 0.3809524 0.5000000), wk = 0.0038314 k( 196) = ( 0.3690476 0.3690476 0.5000000), wk = 0.0038314 k( 197) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0038314 k( 198) = ( 0.3452381 0.3452381 0.5000000), wk = 0.0038314 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038314 k( 200) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0038314 k( 201) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0038314 k( 202) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0038314 k( 203) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0038314 k( 204) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0038314 k( 205) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0038314 k( 206) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0038314 k( 207) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0038314 k( 208) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0038314 k( 209) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0038314 k( 210) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0038314 k( 211) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0038314 k( 212) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0038314 k( 213) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0038314 k( 214) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0038314 k( 215) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0038314 k( 216) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0038314 k( 217) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0038314 k( 218) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0038314 k( 219) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0038314 k( 220) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0038314 k( 221) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0038314 k( 222) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0038314 k( 223) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0038314 k( 224) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0038314 k( 225) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0038314 k( 226) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0038314 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038314 k( 229) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0038314 k( 230) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0038314 k( 231) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0038314 k( 232) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0038314 k( 233) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0038314 k( 234) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0038314 k( 235) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0038314 k( 236) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0038314 k( 237) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0038314 k( 238) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0038314 k( 239) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0038314 k( 240) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0038314 k( 241) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0038314 k( 242) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0038314 k( 243) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0038314 k( 244) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038314 k( 245) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038314 k( 246) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0038314 k( 247) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0038314 k( 248) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0038314 k( 249) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0038314 k( 250) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0038314 k( 251) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0038314 k( 252) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0038314 k( 253) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038314 k( 254) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0038314 k( 255) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0038314 k( 256) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0038314 k( 257) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0038314 k( 258) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0038314 k( 259) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0038314 k( 260) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0038314 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 Dense grid: 41717 G-vectors FFT dimensions: ( 36, 36, 72) Smooth grid: 28829 G-vectors FFT dimensions: ( 32, 32, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 170, 76) NL pseudopotentials 0.22 Mb ( 85, 168) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 872) G-vector shells 0.00 Mb ( 446) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 170, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.39 Mb ( 168, 2, 76) The potential is recalculated from file : ./GeSe2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 44.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.3 secs Computing kpt #: 4 total cpu time spent up to now is 50.3 secs Computing kpt #: 5 total cpu time spent up to now is 53.4 secs Computing kpt #: 6 total cpu time spent up to now is 56.3 secs Computing kpt #: 7 total cpu time spent up to now is 59.3 secs Computing kpt #: 8 total cpu time spent up to now is 62.4 secs Computing kpt #: 9 total cpu time spent up to now is 65.4 secs Computing kpt #: 10 total cpu time spent up to now is 68.7 secs Computing kpt #: 11 total cpu time spent up to now is 71.6 secs Computing kpt #: 12 total cpu time spent up to now is 74.6 secs Computing kpt #: 13 total cpu time spent up to now is 77.6 secs Computing kpt #: 14 total cpu time spent up to now is 80.6 secs Computing kpt #: 15 total cpu time spent up to now is 83.8 secs Computing kpt #: 16 total cpu time spent up to now is 86.7 secs Computing kpt #: 17 total cpu time spent up to now is 89.7 secs Computing kpt #: 18 total cpu time spent up to now is 92.6 secs Computing kpt #: 19 total cpu time spent up to now is 95.7 secs Computing kpt #: 20 total cpu time spent up to now is 98.6 secs Computing kpt #: 21 total cpu time spent up to now is 102.1 secs Computing kpt #: 22 total cpu time spent up to now is 105.3 secs Computing kpt #: 23 total cpu time spent up to now is 108.3 secs Computing kpt #: 24 total cpu time spent up to now is 111.5 secs Computing kpt #: 25 total cpu time spent up to now is 114.4 secs Computing kpt #: 26 total cpu time spent up to now is 117.4 secs Computing kpt #: 27 total cpu time spent up to now is 120.1 secs Computing kpt #: 28 total cpu time spent up to now is 122.8 secs Computing kpt #: 29 total cpu time spent up to now is 125.4 secs 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cpu time spent up to now is 168.5 secs Computing kpt #: 46 total cpu time spent up to now is 171.5 secs Computing kpt #: 47 total cpu time spent up to now is 174.5 secs Computing kpt #: 48 total cpu time spent up to now is 177.5 secs Computing kpt #: 49 total cpu time spent up to now is 180.5 secs Computing kpt #: 50 total cpu time spent up to now is 183.4 secs Computing kpt #: 51 total cpu time spent up to now is 186.3 secs Computing kpt #: 52 total cpu time spent up to now is 189.2 secs Computing kpt #: 53 total cpu time spent up to now is 192.1 secs Computing kpt #: 54 total cpu time spent up to now is 195.0 secs Computing kpt #: 55 total cpu time spent up to now is 197.9 secs Computing kpt #: 56 total cpu time spent up to now is 200.9 secs Computing kpt #: 57 total cpu time spent up to now is 203.8 secs Computing kpt #: 58 total cpu time spent up to now is 206.7 secs Computing kpt #: 59 total cpu time spent up to now is 209.7 secs Computing kpt #: 60 total cpu time spent up to now is 212.7 secs Computing kpt #: 61 total cpu time spent up to now is 215.9 secs Computing kpt #: 62 total cpu time spent up to now is 218.9 secs Computing kpt #: 63 total cpu time spent up to now is 221.8 secs Computing kpt #: 64 total cpu time spent up to now is 225.1 secs Computing kpt #: 65 total cpu time spent up to now is 228.1 secs Computing kpt #: 66 total cpu time spent up to now is 231.1 secs Computing kpt #: 67 total cpu time spent up to now is 234.1 secs Computing kpt #: 68 total cpu time spent up to now is 237.1 secs Computing kpt #: 69 total cpu time spent up to now is 240.2 secs Computing kpt #: 70 total cpu time spent up to now is 243.3 secs Computing kpt #: 71 total cpu time spent up to now is 246.8 secs Computing kpt #: 72 total cpu time spent up to now is 249.9 secs Computing kpt #: 73 total cpu time spent up to now is 253.4 secs Computing kpt #: 74 total cpu time spent up to now is 256.6 secs Computing kpt #: 75 total cpu time spent up to now is 259.9 secs Computing kpt #: 76 total cpu time spent up to now is 263.1 secs Computing kpt #: 77 total cpu time spent up to now is 266.3 secs Computing kpt #: 78 total cpu time spent up to now is 269.6 secs Computing kpt #: 79 total cpu time spent up to now is 272.8 secs Computing kpt #: 80 total cpu time spent up to now is 275.8 secs Computing kpt #: 81 total cpu time spent up to now is 279.0 secs Computing kpt #: 82 total cpu time spent up to now is 282.1 secs Computing kpt #: 83 total cpu time spent up to now is 285.2 secs Computing kpt #: 84 total cpu time spent up to now is 288.2 secs Computing kpt #: 85 total cpu time spent up to now is 291.3 secs Computing kpt #: 86 total cpu time spent up to now is 294.2 secs Computing kpt #: 87 total cpu time spent up to now is 297.2 secs Computing kpt #: 88 total cpu time spent up to now is 300.4 secs Computing kpt #: 89 total cpu time spent up to now is 303.5 secs Computing kpt #: 90 total cpu time spent up to now is 306.6 secs Computing kpt #: 91 total cpu time 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Computing kpt #: 122 total cpu time spent up to now is 407.0 secs Computing kpt #: 123 total cpu time spent up to now is 410.1 secs Computing kpt #: 124 total cpu time spent up to now is 413.1 secs Computing kpt #: 125 total cpu time spent up to now is 416.3 secs Computing kpt #: 126 total cpu time spent up to now is 419.3 secs Computing kpt #: 127 total cpu time spent up to now is 422.5 secs Computing kpt #: 128 total cpu time spent up to now is 425.4 secs Computing kpt #: 129 total cpu time spent up to now is 428.5 secs Computing kpt #: 130 total cpu time spent up to now is 431.7 secs Computing kpt #: 131 total cpu time spent up to now is 434.8 secs Computing kpt #: 132 total cpu time spent up to now is 438.0 secs Computing kpt #: 133 total cpu time spent up to now is 441.2 secs Computing kpt #: 134 total cpu time spent up to now is 444.2 secs Computing kpt #: 135 total cpu time spent up to now is 447.5 secs Computing kpt #: 136 total cpu time spent up to now is 451.0 secs Computing kpt #: 137 total cpu time spent up to now is 454.2 secs Computing kpt #: 138 total cpu time spent up to now is 457.5 secs Computing kpt #: 139 total cpu time spent up to now is 461.4 secs Computing kpt #: 140 total cpu time spent up to now is 464.4 secs Computing kpt #: 141 total cpu time spent up to now is 468.0 secs Computing kpt #: 142 total cpu time spent up to now is 471.0 secs Computing kpt #: 143 total cpu time spent up to now is 474.1 secs Computing kpt #: 144 total cpu time spent up to now is 477.7 secs Computing kpt #: 145 total cpu time spent up to now is 481.6 secs Computing kpt #: 146 total cpu time spent up to now is 484.6 secs Computing kpt #: 147 total cpu time spent up to now is 487.5 secs Computing kpt #: 148 total cpu time spent up to now is 490.4 secs Computing kpt #: 149 total cpu time spent up to now is 493.4 secs Computing kpt #: 150 total cpu time spent up to now is 496.2 secs Computing kpt #: 151 total cpu time spent up to now is 499.3 secs Computing kpt #: 152 total cpu time spent up to now is 502.1 secs Computing kpt #: 153 total cpu time spent up to now is 505.4 secs Computing kpt #: 154 total cpu time spent up to now is 508.2 secs Computing kpt #: 155 total cpu time spent up to now is 511.4 secs Computing kpt #: 156 total cpu time spent up to now is 514.2 secs Computing kpt #: 157 total cpu time spent up to now is 517.2 secs Computing kpt #: 158 total cpu time spent up to now is 520.2 secs Computing kpt #: 159 total cpu time spent up to now is 523.1 secs Computing kpt #: 160 total cpu time spent up to now is 526.0 secs Computing kpt #: 161 total cpu time spent up to now is 529.1 secs Computing kpt #: 162 total cpu time spent up to now is 531.9 secs Computing kpt #: 163 total cpu time spent up to now is 534.9 secs Computing kpt #: 164 total cpu time spent up to now is 537.8 secs Computing kpt #: 165 total cpu time spent up to now is 540.7 secs Computing kpt #: 166 total cpu time spent up to now is 543.9 secs Computing kpt #: 167 total cpu time spent up to now is 547.3 secs Computing kpt #: 168 total cpu time spent up to now is 550.3 secs Computing kpt #: 169 total cpu time spent up to now is 553.4 secs Computing kpt #: 170 total cpu time spent up to now is 556.5 secs Computing kpt #: 171 total cpu time spent up to now is 559.5 secs Computing kpt #: 172 total cpu time spent up to now is 562.5 secs Computing kpt #: 173 total cpu time spent up to now is 565.6 secs Computing kpt #: 174 total cpu time spent up to now is 568.5 secs Computing kpt #: 175 total cpu time spent up to now is 571.7 secs Computing kpt #: 176 total cpu time spent up to now is 574.6 secs Computing kpt #: 177 total cpu time spent up to now is 578.1 secs Computing kpt #: 178 total cpu time spent up to now is 581.1 secs Computing kpt #: 179 total cpu time spent up to now is 584.3 secs Computing kpt #: 180 total cpu time spent up to now is 587.3 secs Computing kpt #: 181 total cpu time spent up to now is 590.6 secs Computing kpt #: 182 total cpu time spent up to now is 593.8 secs Computing kpt #: 183 total cpu time spent up to now is 596.7 secs Computing kpt #: 184 total cpu time spent up to now is 599.5 secs Computing kpt #: 185 total cpu time spent up to now is 602.5 secs Computing kpt #: 186 total cpu time spent up to now is 605.4 secs Computing kpt #: 187 total cpu time spent up to now is 608.6 secs Computing kpt #: 188 total cpu time spent up to now is 611.7 secs Computing kpt #: 189 total cpu time spent up to now is 614.7 secs Computing kpt #: 190 total cpu time spent up to now is 617.8 secs Computing kpt #: 191 total cpu time spent up to now is 621.6 secs Computing kpt #: 192 total cpu time spent up to now is 624.4 secs Computing kpt #: 193 total cpu time spent up to now is 628.1 secs Computing kpt #: 194 total cpu time spent up to now is 631.0 secs Computing kpt #: 195 total cpu time spent up to now is 633.9 secs Computing kpt #: 196 total cpu time spent up to now is 636.8 secs Computing kpt #: 197 total cpu time spent up to now is 640.0 secs Computing kpt #: 198 total cpu time spent up to now is 643.0 secs Computing kpt #: 199 total cpu time spent up to now is 646.2 secs Computing kpt #: 200 total cpu time spent up to now is 649.1 secs Computing kpt #: 201 total cpu time spent up to now is 652.4 secs Computing kpt #: 202 total cpu time spent up to now is 655.5 secs Computing kpt #: 203 total cpu time spent up to now is 658.8 secs Computing kpt #: 204 total cpu time spent up to now is 661.7 secs Computing kpt #: 205 total cpu time spent up to now is 664.6 secs Computing kpt #: 206 total cpu time spent up to now is 667.6 secs Computing kpt #: 207 total cpu time spent up to now is 670.6 secs Computing kpt #: 208 total cpu time spent up to now is 673.5 secs Computing kpt #: 209 total cpu time spent up to now is 676.5 secs Computing kpt #: 210 total cpu time spent up to now is 679.7 secs Computing kpt #: 211 total cpu time spent up to now is 683.3 secs Computing kpt #: 212 total cpu time spent up to now is 686.3 secs Computing kpt #: 213 total cpu time spent up to now is 689.5 secs Computing kpt #: 214 total cpu time spent up to now is 692.6 secs Computing kpt #: 215 total cpu time spent up to now is 695.6 secs Computing kpt #: 216 total cpu time spent up to now is 698.8 secs Computing kpt #: 217 total cpu time spent up to now is 702.0 secs Computing kpt #: 218 total cpu time spent up to now is 705.0 secs Computing kpt #: 219 total cpu time spent up to now is 708.3 secs Computing kpt #: 220 total cpu time spent up to now is 711.4 secs Computing kpt #: 221 total cpu time spent up to now is 714.4 secs Computing kpt #: 222 total cpu time spent up to now is 717.5 secs Computing kpt #: 223 total cpu time spent up to now is 720.6 secs Computing kpt #: 224 total cpu time spent up to now is 724.1 secs Computing kpt #: 225 total cpu time spent up to now is 727.3 secs Computing kpt #: 226 total cpu time spent up to now is 730.3 secs Computing kpt #: 227 total cpu time spent up to now is 733.2 secs Computing kpt #: 228 total cpu time spent up to now is 735.7 secs Computing kpt #: 229 total cpu time spent up to now is 738.4 secs Computing kpt #: 230 total cpu time spent up to now is 741.0 secs Computing kpt #: 231 total cpu time spent up to now is 743.6 secs Computing kpt #: 232 total cpu time spent up to now is 746.4 secs Computing kpt #: 233 total cpu time spent up to now is 749.0 secs Computing kpt #: 234 total cpu time spent up to now is 751.7 secs Computing kpt #: 235 total cpu time spent up to now is 754.7 secs Computing kpt #: 236 total cpu time spent up to now is 757.9 secs Computing kpt #: 237 total cpu time spent up to now is 760.5 secs Computing kpt #: 238 total cpu time spent up to now is 763.4 secs Computing kpt #: 239 total cpu time spent up to now is 766.1 secs Computing kpt #: 240 total cpu time spent up to now is 768.7 secs Computing kpt #: 241 total cpu time spent up to now is 771.4 secs Computing kpt #: 242 total cpu time spent up to now is 774.6 secs Computing kpt #: 243 total cpu time spent up to now is 777.3 secs Computing kpt #: 244 total cpu time spent up to now is 780.3 secs Computing kpt #: 245 total cpu time spent up to now is 783.1 secs Computing kpt #: 246 total cpu time spent up to now is 785.9 secs Computing kpt #: 247 total cpu time spent up to now is 789.1 secs Computing kpt #: 248 total cpu time spent up to now is 791.9 secs Computing kpt #: 249 total cpu time spent up to now is 794.7 secs Computing kpt #: 250 total cpu time spent up to now is 797.6 secs Computing kpt #: 251 total cpu time spent up to now is 800.8 secs Computing kpt #: 252 total cpu time spent up to now is 803.6 secs Computing kpt #: 253 total cpu time spent up to now is 807.1 secs Computing kpt #: 254 total cpu time spent up to now is 810.1 secs Computing kpt #: 255 total cpu time spent up to now is 813.0 secs Computing kpt #: 256 total cpu time spent up to now is 816.1 secs Computing kpt #: 257 total cpu time spent up to now is 819.5 secs Computing kpt #: 258 total cpu time spent up to now is 822.3 secs Computing kpt #: 259 total cpu time spent up to now is 825.6 secs Computing kpt #: 260 total cpu time spent up to now is 828.6 secs Computing kpt #: 261 total cpu time spent up to now is 831.4 secs ethr = 1.56E-11, avg # of iterations = 22.7 total cpu time spent up to now is 831.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3629 PWs) bands (ev): -9.4798 -9.4798 -8.6335 -8.6335 -8.4279 -8.4279 -7.1724 -7.1724 -7.1701 -7.1701 -7.0223 -7.0223 -7.0147 -7.0147 -6.9062 -6.9062 -3.9543 -3.9543 -2.4524 -2.4524 -2.4468 -2.4468 -1.2129 -1.2129 0.7750 0.7750 0.7973 0.7973 1.1325 1.1325 1.3533 1.3533 1.4882 1.4882 1.4902 1.4902 2.1847 2.1847 2.2257 2.2257 2.3952 2.3952 3.0525 3.0525 3.1076 3.1076 3.1766 3.1766 3.2356 3.2356 3.3304 3.3304 3.3432 3.3432 4.7295 4.7295 4.7363 4.7363 5.1174 5.1174 5.4554 5.4554 5.5627 5.5627 6.2909 6.2909 6.6835 6.6835 7.2086 7.2086 7.3871 7.3871 7.4965 7.4965 7.6775 7.6775 k = 0.0000 0.0167-0.0000 ( 3613 PWs) bands (ev): -9.4789 -9.4789 -8.6330 -8.6329 -8.4275 -8.4273 -7.1735 -7.1734 -7.1710 -7.1707 -7.0235 -7.0230 -7.0157 -7.0155 -6.9062 -6.9059 -3.9530 -3.9529 -2.4525 -2.4513 -2.4457 -2.4453 -1.2154 -1.2118 0.7696 0.7743 0.7895 0.8008 1.1334 1.1419 1.3549 1.3567 1.4789 1.4873 1.4887 1.4942 2.1787 2.1879 2.2196 2.2296 2.3919 2.4028 3.0454 3.0526 3.0953 3.1077 3.1694 3.1883 3.2208 3.2415 3.3174 3.3313 3.3540 3.3667 4.7268 4.7280 4.7347 4.7384 5.1085 5.1193 5.4481 5.4512 5.5536 5.5668 6.2942 6.2980 6.6860 6.6877 7.2099 7.2157 7.3914 7.3949 7.4998 7.5017 7.6801 7.6819 k = 0.0000 0.0333-0.0000 ( 3591 PWs) bands (ev): -9.4763 -9.4762 -8.6315 -8.6313 -8.4260 -8.4257 -7.1776 -7.1773 -7.1727 -7.1719 -7.0267 -7.0258 -7.0185 -7.0181 -6.9063 -6.9056 -3.9491 -3.9488 -2.4541 -2.4509 -2.4393 -2.4392 -1.2196 -1.2124 0.7557 0.7699 0.7757 0.8037 1.1441 1.1600 1.3616 1.3650 1.4639 1.4828 1.4861 1.4936 2.1688 2.1853 2.2130 2.2335 2.3929 2.4147 3.0299 3.0447 3.0751 3.0994 3.1666 3.2008 3.2023 3.2422 3.3071 3.3245 3.3908 3.4027 4.7169 4.7226 4.7334 4.7440 5.0924 5.1128 5.4307 5.4340 5.5382 5.5661 6.3073 6.3149 6.6950 6.6984 7.2192 7.2310 7.4073 7.4146 7.5113 7.5152 7.6883 7.6920 k = 0.0000 0.0500-0.0000 ( 3589 PWs) bands (ev): -9.4719 -9.4718 -8.6290 -8.6286 -8.4236 -8.4232 -7.1850 -7.1844 -7.1749 -7.1736 -7.0319 -7.0308 -7.0226 -7.0219 -6.9063 -6.9052 -3.9426 -3.9422 -2.4576 -2.4526 -2.4279 -2.4278 -1.2252 -1.2146 0.7344 0.7515 0.7685 0.8073 1.1624 1.1843 1.3728 1.3769 1.4451 1.4756 1.4813 1.4881 2.1525 2.1722 2.2109 2.2403 2.3979 2.4305 3.0048 3.0245 3.0557 3.0897 3.1641 3.1843 3.2120 3.2441 3.2957 3.3180 3.4372 3.4478 4.7004 4.7100 4.7355 4.7522 5.0697 5.0970 5.4046 5.4061 5.5171 5.5615 6.3291 6.3406 6.7108 6.7155 7.2358 7.2539 7.4340 7.4452 7.5308 7.5367 7.7017 7.7068 k = 0.0000 0.0667-0.0000 ( 3601 PWs) bands (ev): -9.4658 -9.4656 -8.6255 -8.6250 -8.4203 -8.4197 -7.1953 -7.1946 -7.1780 -7.1763 -7.0394 -7.0381 -7.0276 -7.0265 -6.9063 -6.9049 -3.9335 -3.9329 -2.4624 -2.4558 -2.4119 -2.4116 -1.2322 -1.2183 0.7084 0.7251 0.7650 0.8114 1.1857 1.2121 1.3872 1.3888 1.4266 1.4652 1.4742 1.4792 2.1286 2.1500 2.2139 2.2503 2.4071 2.4502 2.9723 2.9923 3.0405 3.0801 3.1600 3.1682 3.2212 3.2486 3.2833 3.3109 3.4901 3.4989 4.6778 4.6910 4.7402 4.7628 5.0403 5.0706 5.3657 5.3766 5.4909 5.5528 6.3584 6.3737 6.7334 6.7390 7.2590 7.2836 7.4701 7.4853 7.5585 7.5664 7.7207 7.7273 k = 0.0000 0.0833-0.0000 ( 3593 PWs) bands (ev): -9.4579 -9.4577 -8.6211 -8.6205 -8.4160 -8.4152 -7.2085 -7.2077 -7.1823 -7.1803 -7.0488 -7.0476 -7.0330 -7.0315 -6.9064 -6.9046 -3.9219 -3.9211 -2.4685 -2.4603 -2.3915 -2.3911 -1.2405 -1.2235 0.6798 0.6959 0.7627 0.8160 1.2119 1.2409 1.3827 1.4026 1.4269 1.4524 1.4652 1.4685 2.0984 2.1215 2.2203 2.2626 2.4199 2.4733 2.9351 2.9544 3.0255 3.0693 3.1509 3.1576 3.2283 3.2518 3.2741 3.3042 3.5474 3.5543 4.6495 4.6660 4.7471 4.7755 5.0050 5.0336 5.3205 5.3461 5.4607 5.5404 6.3938 6.4131 6.7633 6.7693 7.2883 7.3196 7.5140 7.5329 7.5943 7.6044 7.7458 7.7537 k = 0.0000 0.1000-0.0000 ( 3595 PWs) bands (ev): -9.4483 -9.4480 -8.6158 -8.6152 -8.4107 -8.4098 -7.2244 -7.2236 -7.1881 -7.1858 -7.0600 -7.0588 -7.0386 -7.0367 -6.9067 -6.9044 -3.9077 -3.9067 -2.4759 -2.4661 -2.3670 -2.3665 -1.2498 -1.2300 0.6502 0.6655 0.7619 0.8213 1.2389 1.2671 1.3612 1.4085 1.4431 1.4459 1.4559 1.4587 2.0634 2.0883 2.2292 2.2762 2.4361 2.4991 2.8948 2.9137 3.0093 3.0558 3.1363 3.1528 3.2324 3.2464 3.2763 3.2994 3.6075 3.6125 4.6155 4.6352 4.7553 4.7899 4.9645 4.9867 5.2718 5.3166 5.4267 5.5241 6.4336 6.4571 6.8004 6.8063 7.3233 7.3612 7.5632 7.5855 7.6383 7.6508 7.7766 7.7858 k = 0.0000 0.1167-0.0000 ( 3595 PWs) bands (ev): -9.4369 -9.4366 -8.6098 -8.6091 -8.4044 -8.4034 -7.2429 -7.2422 -7.1959 -7.1933 -7.0727 -7.0715 -7.0441 -7.0416 -6.9071 -6.9045 -3.8912 -3.8900 -2.4845 -2.4732 -2.3388 -2.3382 -1.2600 -1.2377 0.6205 0.6348 0.7628 0.8273 1.2649 1.2795 1.3479 1.3941 1.4359 1.4425 1.4658 1.4706 2.0252 2.0518 2.2400 2.2905 2.4548 2.5266 2.8522 2.8713 2.9914 3.0389 3.1212 3.1487 3.2288 3.2430 3.2840 3.2996 3.6696 3.6730 4.5759 4.5991 4.7630 4.8040 4.9211 4.9330 5.2218 5.2885 5.3891 5.5038 6.4769 6.5046 6.8448 6.8502 7.3633 7.4074 7.6154 7.6404 7.6898 7.7046 7.8136 7.8239 k = 0.0000 0.1333-0.0000 ( 3595 PWs) bands (ev): -9.4239 -9.4235 -8.6032 -8.6023 -8.3972 -8.3960 -7.2638 -7.2631 -7.2060 -7.2031 -7.0866 -7.0854 -7.0491 -7.0461 -6.9078 -6.9047 -3.8725 -3.8710 -2.4945 -2.4818 -2.3072 -2.3064 -1.2709 -1.2465 0.5915 0.6049 0.7658 0.8344 1.2638 1.2865 1.3591 1.3738 1.4227 1.4282 1.4859 1.4956 1.9849 2.0131 2.2521 2.3051 2.4754 2.5544 2.8078 2.8281 2.9719 3.0183 3.1064 3.1447 3.2214 3.2450 3.2905 3.3071 3.7324 3.7353 4.5311 4.5578 4.7646 4.8088 4.8801 4.8851 5.1725 5.2623 5.3482 5.4799 6.5223 6.5544 6.8964 6.9009 7.4078 7.4577 7.6687 7.6954 7.7488 7.7659 7.8566 7.8680 k = 0.0000 0.1500-0.0000 ( 3597 PWs) bands (ev): -9.4092 -9.4088 -8.5961 -8.5952 -8.3891 -8.3877 -7.2868 -7.2862 -7.2186 -7.2155 -7.1016 -7.1003 -7.0532 -7.0496 -6.9087 -6.9052 -3.8515 -3.8497 -2.5058 -2.4918 -2.2726 -2.2715 -1.2825 -1.2561 0.5637 0.5762 0.7709 0.8427 1.2332 1.2940 1.3598 1.3836 1.4084 1.4125 1.5081 1.5210 1.9436 1.9732 2.2650 2.3194 2.4970 2.5809 2.7620 2.7844 2.9502 2.9940 3.0934 3.1412 3.2175 3.2484 3.2970 3.3194 3.7949 3.7990 4.4812 4.5117 4.7462 4.7752 4.8547 4.8757 5.1249 5.2379 5.3044 5.4528 6.5691 6.6057 6.9549 6.9583 7.4564 7.5116 7.7215 7.7494 7.8144 7.8340 7.9048 7.9177 k = 0.0000 0.1667-0.0000 ( 3589 PWs) bands (ev): -9.3929 -9.3924 -8.5887 -8.5877 -8.3800 -8.3784 -7.3116 -7.3110 -7.2340 -7.2306 -7.1175 -7.1160 -7.0563 -7.0521 -6.9099 -6.9058 -3.8283 -3.8262 -2.5185 -2.5032 -2.2353 -2.2339 -1.2943 -1.2664 0.5375 0.5491 0.7781 0.8523 1.1983 1.2776 1.3660 1.3897 1.3948 1.4135 1.5300 1.5458 1.9023 1.9333 2.2782 2.3334 2.5185 2.6037 2.7155 2.7412 2.9261 2.9664 3.0847 3.1394 3.2181 3.2537 3.3050 3.3338 3.8570 3.8630 4.4269 4.4618 4.7025 4.7152 4.8548 4.8905 5.0801 5.2149 5.2583 5.4231 6.6166 6.6576 7.0198 7.0223 7.5085 7.5684 7.7731 7.8019 7.8851 7.9079 7.9574 7.9726 k = 0.0000 0.1833-0.0000 ( 3595 PWs) bands (ev): -9.3750 -9.3744 -8.5812 -8.5802 -8.3699 -8.3682 -7.3377 -7.3373 -7.2520 -7.2485 -7.1342 -7.1325 -7.0582 -7.0535 -6.9113 -6.9068 -3.8032 -3.8007 -2.5327 -2.5162 -2.1958 -2.1941 -1.3065 -1.2772 0.5132 0.5239 0.7875 0.8631 1.1619 1.2484 1.3669 1.3772 1.3888 1.4368 1.5508 1.5693 1.8618 1.8940 2.2911 2.3463 2.5380 2.6181 2.6706 2.6999 2.8990 2.9357 3.0834 3.1409 3.2220 3.2612 3.3146 3.3496 3.9182 3.9263 4.3692 4.4092 4.6434 4.6544 4.8635 4.9106 5.0399 5.1910 5.2129 5.3913 6.6641 6.7094 7.0895 7.0920 7.5634 7.6273 7.8231 7.8525 7.9582 7.9846 8.0142 8.0326 k = 0.0000 0.2000-0.0000 ( 3591 PWs) bands (ev): -9.3555 -9.3549 -8.5740 -8.5729 -8.3588 -8.3569 -7.3648 -7.3645 -7.2725 -7.2689 -7.1516 -7.1498 -7.0589 -7.0538 -6.9129 -6.9079 -3.7761 -3.7732 -2.5483 -2.5308 -2.1545 -2.1525 -1.3187 -1.2884 0.4911 0.5010 0.7988 0.8750 1.1255 1.2155 1.3510 1.3591 1.4038 1.4588 1.5698 1.5910 1.8230 1.8564 2.3034 2.3581 2.5517 2.6053 2.6410 2.6683 2.8692 2.9026 3.0909 3.1473 3.2274 3.2712 3.3256 3.3666 3.9778 3.9883 4.3097 4.3556 4.5785 4.5965 4.8685 4.9304 5.0092 5.1511 5.1850 5.3584 6.7115 6.7609 7.1635 7.1669 7.6207 7.6877 7.8710 7.9007 8.0296 8.0526 8.0842 8.1009 k = 0.0000 0.2167-0.0000 ( 3601 PWs) bands (ev): -9.3344 -9.3338 -8.5673 -8.5662 -8.3467 -8.3446 -7.3924 -7.3922 -7.2954 -7.2916 -7.1697 -7.1677 -7.0587 -7.0531 -6.9148 -6.9093 -3.7473 -3.7440 -2.5654 -2.5470 -2.1118 -2.1094 -1.3308 -1.2999 0.4713 0.4804 0.8119 0.8875 1.0895 1.1817 1.3328 1.3411 1.4183 1.4777 1.5864 1.6102 1.7867 1.8210 2.3145 2.3684 2.5466 2.5653 2.6262 2.6595 2.8377 2.8679 3.1060 3.1601 3.2323 3.2833 3.3379 3.3846 4.0348 4.0479 4.2510 4.3038 4.5144 4.5397 4.8590 4.9465 4.9963 5.0996 5.1723 5.3253 6.7584 6.8117 7.2404 7.2453 7.6796 7.7489 7.9164 7.9458 8.0932 8.1070 8.1688 8.1819 k = 0.0000 0.2333-0.0000 ( 3587 PWs) bands (ev): -9.3119 -9.3112 -8.5614 -8.5603 -8.3334 -8.3312 -7.4201 -7.4199 -7.3201 -7.3162 -7.1885 -7.1863 -7.0575 -7.0514 -6.9169 -6.9109 -3.7168 -3.7130 -2.5841 -2.5649 -2.0683 -2.0654 -1.3428 -1.3113 0.4540 0.4622 0.8260 0.8997 1.0552 1.1492 1.3140 1.3237 1.4300 1.4926 1.6002 1.6265 1.7543 1.7890 2.3240 2.3770 2.5079 2.5286 2.6277 2.6567 2.8065 2.8331 3.1246 3.1806 3.2349 3.2973 3.3515 3.4039 4.0870 4.1035 4.1972 4.2573 4.4530 4.4847 4.8324 4.9559 5.0021 5.0472 5.1680 5.2936 6.8048 6.8617 7.3194 7.3260 7.7394 7.8101 7.9584 7.9864 8.1476 8.1558 8.2595 8.2739 k = 0.0000 0.2500-0.0000 ( 3591 PWs) bands (ev): -9.2879 -9.2872 -8.5568 -8.5557 -8.3191 -8.3167 -7.4474 -7.4471 -7.3466 -7.3426 -7.2078 -7.2054 -7.0555 -7.0491 -6.9192 -6.9128 -3.6848 -3.6805 -2.6043 -2.5845 -2.0243 -2.0209 -1.3545 -1.3229 0.4393 0.4467 0.8399 0.9100 1.0239 1.1202 1.2953 1.3072 1.4378 1.5028 1.6107 1.6386 1.7276 1.7610 2.3309 2.3832 2.4599 2.4887 2.6386 2.6501 2.7772 2.8006 3.1411 3.2068 3.2355 3.3128 3.3666 3.4243 4.1165 4.1480 4.1675 4.2254 4.3956 4.4323 4.7952 4.9525 4.9995 5.0177 5.1719 5.2644 6.8504 6.9107 7.3991 7.4075 7.7992 7.8707 7.9958 8.0213 8.1936 8.2019 8.3551 8.3719 k = 0.0000 0.2667-0.0000 ( 3593 PWs) bands (ev): -9.2626 -9.2618 -8.5538 -8.5528 -8.3035 -8.3010 -7.4739 -7.4733 -7.3744 -7.3704 -7.2277 -7.2251 -7.0529 -7.0461 -6.9217 -6.9149 -3.6514 -3.6465 -2.6261 -2.6057 -1.9803 -1.9763 -1.3660 -1.3344 0.4271 0.4337 0.8510 0.9152 0.9982 1.0979 1.2771 1.2919 1.4414 1.5076 1.6167 1.6444 1.7104 1.7380 2.3334 2.3840 2.4133 2.4496 2.6348 2.6531 2.7498 2.7753 3.1510 3.2141 3.2550 3.3298 3.3834 3.4462 4.0904 4.1529 4.1964 4.2350 4.3453 4.3838 4.7535 4.9165 4.9799 5.0332 5.1832 5.2399 6.8950 6.9585 7.4781 7.4885 7.8579 7.9295 8.0279 8.0495 8.2332 8.2454 8.4549 8.4735 k = 0.0000 0.2833-0.0000 ( 3593 PWs) bands (ev): -9.2360 -9.2352 -8.5528 -8.5518 -8.2868 -8.2841 -7.4989 -7.4983 -7.4033 -7.3992 -7.2479 -7.2452 -7.0498 -7.0426 -6.9244 -6.9173 -3.6167 -3.6113 -2.6495 -2.6287 -1.9367 -1.9320 -1.3771 -1.3457 0.4177 0.4235 0.8542 0.9114 0.9833 1.0866 1.2600 1.2781 1.4404 1.5068 1.6158 1.6436 1.7055 1.7208 2.3248 2.3596 2.3858 2.4231 2.6145 2.6635 2.7246 2.7618 3.1510 3.1976 3.2938 3.3490 3.4022 3.4695 4.0608 4.1354 4.2194 4.2669 4.3153 4.3447 4.7100 4.8625 4.9742 5.0458 5.1995 5.2230 6.9386 7.0049 7.5548 7.5677 7.9133 7.9842 8.0555 8.0719 8.2687 8.2856 8.5569 8.5766 k = 0.0000 0.3000-0.0000 ( 3598 PWs) bands (ev): -9.2081 -9.2073 -8.5541 -8.5532 -8.2688 -8.2660 -7.5223 -7.5215 -7.4328 -7.4288 -7.2685 -7.2656 -7.0462 -7.0387 -6.9273 -6.9198 -3.5809 -3.5748 -2.6744 -2.6533 -1.8939 -1.8885 -1.3880 -1.3569 0.4109 0.4159 0.8447 0.8966 0.9838 1.0885 1.2443 1.2661 1.4347 1.5006 1.6071 1.6409 1.7089 1.7100 2.2926 2.3208 2.3722 2.4170 2.5896 2.6635 2.7106 2.7583 3.1391 3.1706 3.3352 3.3705 3.4231 3.4942 4.0403 4.1201 4.2041 4.2738 4.3210 4.3437 4.6656 4.8052 4.9708 5.0523 5.2136 5.2209 6.9810 7.0497 7.6276 7.6437 7.9606 8.0270 8.0838 8.0940 8.3013 8.3222 8.6593 8.6792 k = 0.0000 0.3167-0.0000 ( 3608 PWs) bands (ev): -9.1792 -9.1783 -8.5582 -8.5573 -8.2497 -8.2468 -7.5435 -7.5426 -7.4627 -7.4588 -7.2892 -7.2862 -7.0422 -7.0344 -6.9304 -6.9226 -3.5441 -3.5373 -2.7008 -2.6797 -1.8524 -1.8462 -1.3985 -1.3679 0.4069 0.4111 0.8242 0.8728 0.9977 1.1015 1.2304 1.2562 1.4248 1.4900 1.5945 1.6373 1.7045 1.7166 2.2467 2.2784 2.3659 2.4179 2.5636 2.6485 2.7137 2.7614 3.1153 3.1358 3.3745 3.3946 3.4461 3.5202 4.0273 4.1080 4.1739 4.2524 4.3478 4.3752 4.6215 4.7474 4.9694 5.0523 5.2171 5.2399 7.0220 7.0926 7.6947 7.7152 7.9916 8.0477 8.1147 8.1323 8.3319 8.3548 8.7593 8.7770 k = 0.0000 0.3333-0.0000 ( 3606 PWs) bands (ev): -9.1492 -9.1483 -8.5652 -8.5643 -8.2296 -8.2265 -7.5627 -7.5618 -7.4923 -7.4887 -7.3100 -7.3069 -7.0380 -7.0299 -6.9337 -6.9256 -3.5064 -3.4990 -2.7287 -2.7076 -1.8123 -1.8052 -1.4087 -1.3788 0.4056 0.4089 0.7979 0.8436 1.0198 1.1220 1.2189 1.2487 1.4115 1.4760 1.5813 1.6320 1.7041 1.7251 2.1983 2.2331 2.3616 2.4190 2.5399 2.6304 2.7221 2.7682 3.0818 3.0959 3.4063 3.4235 3.4708 3.5473 4.0151 4.0950 4.1522 4.2381 4.3767 4.4070 4.5790 4.6904 4.9707 5.0487 5.2266 5.2592 7.0615 7.1334 7.7538 7.7807 8.0027 8.0523 8.1539 8.1816 8.3616 8.3837 8.8517 8.8621 k = 0.0000 0.3500-0.0000 ( 3598 PWs) bands (ev): -9.1183 -9.1174 -8.5752 -8.5744 -8.2084 -8.2054 -7.5799 -7.5791 -7.5208 -7.5177 -7.3306 -7.3275 -7.0334 -7.0252 -6.9371 -6.9289 -3.4681 -3.4599 -2.7579 -2.7370 -1.7739 -1.7659 -1.4188 -1.3897 0.4070 0.4094 0.7692 0.8117 1.0464 1.1471 1.2102 1.2440 1.3955 1.4597 1.5685 1.6250 1.7071 1.7342 2.1501 2.1871 2.3571 2.4175 2.5215 2.6154 2.7288 2.7759 3.0423 3.0544 3.4297 3.4551 3.4966 3.5748 3.9962 4.0782 4.1480 4.2397 4.4011 4.4312 4.5408 4.6350 4.9754 5.0449 5.2394 5.2767 7.0997 7.1721 7.8016 7.8381 8.0014 8.0511 8.1989 8.2317 8.3909 8.4091 8.9207 8.9266 k = 0.0000 0.3667-0.0000 ( 3600 PWs) bands (ev): -9.0868 -9.0858 -8.5883 -8.5874 -8.1866 -8.1835 -7.5964 -7.5958 -7.5466 -7.5444 -7.3510 -7.3478 -7.0288 -7.0205 -6.9406 -6.9323 -3.4293 -3.4204 -2.7884 -2.7677 -1.7377 -1.7287 -1.4289 -1.4007 0.4108 0.4125 0.7397 0.7787 1.0752 1.1743 1.2047 1.2428 1.3776 1.4419 1.5560 1.6166 1.7124 1.7435 2.1029 2.1414 2.3518 2.4119 2.5102 2.6048 2.7301 2.7812 3.0018 3.0158 3.4487 3.4833 3.5228 3.6021 3.9712 4.0580 4.1615 4.2552 4.4183 4.4369 4.5172 4.5833 4.9835 5.0432 5.2529 5.2918 7.1361 7.2080 7.8336 7.8820 7.9987 8.0515 8.2431 8.2789 8.4192 8.4324 8.9485 8.9733 k = 0.0000 0.3833-0.0000 ( 3606 PWs) bands (ev): -9.0546 -9.0536 -8.6044 -8.6035 -8.1644 -8.1613 -7.6150 -7.6134 -7.5669 -7.5662 -7.3707 -7.3675 -7.0240 -7.0157 -6.9442 -6.9359 -3.3902 -3.3807 -2.8200 -2.7998 -1.7037 -1.6936 -1.4390 -1.4118 0.4169 0.4185 0.7102 0.7455 1.1045 1.1986 1.2056 1.2470 1.3587 1.4233 1.5434 1.6070 1.7192 1.7531 2.0575 2.0968 2.3464 2.4028 2.5057 2.5987 2.7228 2.7797 2.9672 2.9843 3.4644 3.5057 3.5485 3.6279 3.9463 4.0372 4.1872 4.2792 4.4145 4.4244 4.5171 4.5397 4.9949 5.0447 5.2655 5.3038 7.1706 7.2408 7.8468 7.9021 8.0081 8.0593 8.2827 8.3216 8.4440 8.4584 8.9537 8.9924 k = 0.0000 0.4000-0.0000 ( 3604 PWs) bands (ev): -9.0222 -9.0212 -8.6232 -8.6223 -8.1422 -8.1391 -7.6369 -7.6343 -7.5808 -7.5801 -7.3895 -7.3865 -7.0192 -7.0110 -6.9478 -6.9395 -3.3510 -3.3408 -2.8525 -2.8329 -1.6720 -1.6609 -1.4493 -1.4232 0.4251 0.4274 0.6812 0.7128 1.1320 1.2056 1.2231 1.2615 1.3394 1.4043 1.5301 1.5961 1.7276 1.7633 2.0144 2.0541 2.3419 2.3926 2.5056 2.5961 2.7050 2.7667 2.9449 2.9631 3.4767 3.5216 3.5730 3.6509 3.9267 4.0190 4.2193 4.3068 4.3800 4.4126 4.5115 4.5264 5.0090 5.0497 5.2765 5.3125 7.2033 7.2703 7.8434 7.8965 8.0331 8.0750 8.3162 8.3579 8.4656 8.4892 8.9464 8.9928 k = 0.0000 0.4167-0.0000 ( 3606 PWs) bands (ev): -8.9899 -8.9889 -8.6443 -8.6434 -8.1204 -8.1175 -7.6607 -7.6576 -7.5887 -7.5872 -7.4071 -7.4042 -7.0144 -7.0065 -6.9513 -6.9433 -3.3121 -3.3014 -2.8855 -2.8667 -1.6428 -1.6305 -1.4600 -1.4351 0.4354 0.4388 0.6529 0.6808 1.1546 1.2159 1.2370 1.2869 1.3204 1.3855 1.5161 1.5836 1.7372 1.7740 1.9742 2.0138 2.3392 2.3836 2.5070 2.5959 2.6780 2.7424 2.9364 2.9526 3.4860 3.5307 3.5960 3.6690 3.9158 4.0050 4.2533 4.3275 4.3458 4.3903 4.4988 4.5339 5.0246 5.0572 5.2853 5.3179 7.2340 7.2958 7.8303 7.8780 8.0622 8.0938 8.3435 8.3857 8.4886 8.5211 8.9325 8.9819 k = 0.0000 0.4333-0.0000 ( 3608 PWs) bands (ev): -8.9581 -8.9571 -8.6672 -8.6662 -8.0999 -8.0973 -7.6838 -7.6808 -7.5921 -7.5904 -7.4229 -7.4203 -7.0098 -7.0024 -6.9546 -6.9471 -3.2740 -3.2629 -2.9185 -2.9009 -1.6161 -1.6027 -1.4712 -1.4476 0.4478 0.4524 0.6258 0.6501 1.1710 1.2303 1.2520 1.3028 1.3158 1.3682 1.5009 1.5690 1.7481 1.7852 1.9378 1.9765 2.3391 2.3771 2.5080 2.5954 2.6475 2.7130 2.9372 2.9498 3.4927 3.5336 3.6169 3.6809 3.9153 3.9955 4.2787 4.3156 4.3231 4.3943 4.4910 4.5371 5.0411 5.0665 5.2920 5.3200 7.2623 7.3167 7.8140 7.8553 8.0885 8.1116 8.3656 8.4041 8.5148 8.5517 8.9158 8.9642 k = 0.0000 0.4500-0.0000 ( 3614 PWs) bands (ev): -8.9277 -8.9267 -8.6907 -8.6898 -8.0816 -8.0794 -7.7044 -7.7019 -7.5927 -7.5912 -7.4363 -7.4341 -7.0055 -6.9990 -6.9573 -6.9508 -3.2375 -3.2264 -2.9505 -2.9345 -1.5919 -1.5776 -1.4830 -1.4609 0.4619 0.4680 0.6002 0.6210 1.1837 1.2430 1.2650 1.2954 1.3342 1.3607 1.4858 1.5519 1.7604 1.7966 1.9059 1.9431 2.3421 2.3731 2.5080 2.5869 2.6254 2.6850 2.9421 2.9510 3.4979 3.5316 3.6354 3.6863 3.9244 3.9898 4.2647 4.2866 4.3376 4.4201 4.4816 4.5351 5.0567 5.0755 5.2972 5.3195 7.2877 7.3322 7.7989 7.8326 8.1096 8.1257 8.3833 8.4143 8.5427 8.5785 8.8997 8.9432 k = 0.0000 0.4667-0.0000 ( 3608 PWs) bands (ev): -8.9004 -8.8995 -8.7132 -8.7123 -8.0668 -8.0651 -7.7208 -7.7189 -7.5919 -7.5907 -7.4466 -7.4450 -7.0016 -6.9966 -6.9592 -6.9542 -3.2041 -3.1941 -2.9793 -2.9660 -1.5703 -1.5554 -1.4951 -1.4750 0.4775 0.4846 0.5771 0.5940 1.1958 1.2487 1.2639 1.3079 1.3307 1.3751 1.4741 1.5321 1.7742 1.8070 1.8806 1.9139 2.3478 2.3706 2.5081 2.5638 2.6215 2.6621 2.9478 2.9535 3.5025 3.5264 3.6512 3.6863 3.9399 3.9860 4.2417 4.2553 4.3691 4.4476 4.4687 4.5277 5.0702 5.0828 5.3013 5.3169 7.3096 7.3414 7.7882 7.8123 8.1252 8.1354 8.3973 8.4187 8.5694 8.5983 8.8877 8.9215 k = 0.0000 0.4833-0.0000 ( 3604 PWs) bands (ev): -8.8795 -8.8789 -8.7310 -8.7304 -8.0568 -8.0559 -7.7313 -7.7302 -7.5908 -7.5901 -7.4531 -7.4522 -6.9984 -6.9956 -6.9599 -6.9571 -3.1773 -3.1707 -3.0003 -2.9920 -1.5515 -1.5385 -1.5054 -1.4898 0.4932 0.4997 0.5591 0.5705 1.2087 1.2373 1.2738 1.3022 1.3466 1.3808 1.4741 1.5104 1.7890 1.8112 1.8673 1.8897 2.3551 2.3675 2.5113 2.5394 2.6258 2.6454 2.9524 2.9551 3.5075 3.5199 3.6644 3.6821 3.9571 3.9809 4.2261 4.2325 4.3995 4.4488 4.4754 4.5150 5.0804 5.0867 5.3051 5.3132 7.3269 7.3435 7.7838 7.7965 8.1353 8.1403 8.4078 8.4187 8.5914 8.6079 8.8832 8.9020 k = 0.0000 0.5000-0.0000 ( 3604 PWs) bands (ev): -8.8710 -8.8710 -8.7380 -8.7380 -8.0530 -8.0530 -7.7346 -7.7346 -7.5900 -7.5900 -7.4550 -7.4550 -6.9963 -6.9963 -6.9591 -6.9591 -3.1641 -3.1641 -3.0056 -3.0056 -1.5375 -1.5375 -1.5033 -1.5033 0.5041 0.5041 0.5554 0.5554 1.2227 1.2227 1.2878 1.2878 1.3684 1.3684 1.4890 1.4890 1.8033 1.8033 1.8722 1.8722 2.3623 2.3623 2.5213 2.5213 2.6337 2.6337 2.9549 2.9549 3.5133 3.5133 3.6747 3.6747 3.9716 3.9716 4.2224 4.2224 4.4265 4.4265 4.4973 4.4973 5.0860 5.0860 5.3091 5.3091 7.3385 7.3385 7.7866 7.7866 8.1403 8.1403 8.4150 8.4150 8.6052 8.6052 8.8882 8.8882 k = 0.0000 0.5000-0.0000 ( 3604 PWs) bands (ev): -8.8710 -8.8710 -8.7380 -8.7380 -8.0530 -8.0530 -7.7346 -7.7346 -7.5900 -7.5900 -7.4550 -7.4550 -6.9963 -6.9963 -6.9591 -6.9591 -3.1641 -3.1641 -3.0056 -3.0056 -1.5375 -1.5375 -1.5033 -1.5033 0.5041 0.5041 0.5554 0.5554 1.2227 1.2227 1.2878 1.2878 1.3684 1.3684 1.4890 1.4890 1.8033 1.8033 1.8722 1.8722 2.3623 2.3623 2.5213 2.5213 2.6337 2.6337 2.9549 2.9549 3.5133 3.5133 3.6747 3.6747 3.9716 3.9716 4.2224 4.2224 4.4265 4.4265 4.4973 4.4973 5.0860 5.0860 5.3091 5.3091 7.3385 7.3385 7.7866 7.7866 8.1403 8.1403 8.4150 8.4150 8.6052 8.6052 8.8882 8.8882 k = 0.0167 0.5000-0.0000 ( 3604 PWs) bands (ev): -8.8702 -8.8702 -8.7374 -8.7373 -8.0530 -8.0530 -7.7351 -7.7350 -7.5898 -7.5896 -7.4550 -7.4547 -6.9977 -6.9971 -6.9601 -6.9595 -3.1642 -3.1636 -3.0055 -3.0049 -1.5424 -1.5394 -1.5080 -1.5050 0.5050 0.5061 0.5565 0.5581 1.2181 1.2206 1.2818 1.2837 1.3671 1.3721 1.4882 1.4907 1.8038 1.8127 1.8687 1.8788 2.3605 2.3654 2.4965 2.5488 2.6017 2.6723 2.9473 2.9693 3.5138 3.5162 3.6744 3.6766 3.9662 3.9743 4.2138 4.2280 4.4244 4.4309 4.4950 4.5021 5.0844 5.0874 5.3074 5.3097 7.3351 7.3443 7.7849 7.7915 8.1368 8.1398 8.4108 8.4133 8.6052 8.6089 8.8885 8.8927 k = 0.0333 0.5000-0.0000 ( 3608 PWs) bands (ev): -8.8680 -8.8679 -8.7354 -8.7352 -8.0529 -8.0528 -7.7366 -7.7364 -7.5890 -7.5885 -7.4547 -7.4541 -7.0012 -7.0000 -6.9625 -6.9613 -3.1643 -3.1631 -3.0048 -3.0036 -1.5540 -1.5482 -1.5190 -1.5131 0.5087 0.5110 0.5614 0.5646 1.2073 1.2117 1.2661 1.2698 1.3689 1.3780 1.4882 1.4930 1.8141 1.8305 1.8687 1.8881 2.3595 2.3691 2.4779 2.5573 2.5983 2.7148 2.9467 2.9898 3.5175 3.5225 3.6760 3.6803 3.9584 3.9744 4.2024 4.2308 4.4249 4.4377 4.4952 4.5094 5.0829 5.0887 5.3048 5.3094 7.3343 7.3526 7.7866 7.7996 8.1293 8.1355 8.4006 8.4054 8.6090 8.6165 8.8938 8.9021 k = 0.0500 0.5000-0.0000 ( 3604 PWs) bands (ev): -8.8642 -8.8640 -8.7320 -8.7317 -8.0527 -8.0526 -7.7390 -7.7387 -7.5875 -7.5868 -7.4540 -7.4531 -7.0068 -7.0051 -6.9663 -6.9646 -3.1641 -3.1623 -3.0033 -3.0015 -1.5718 -1.5636 -1.5360 -1.5275 0.5153 0.5186 0.5699 0.5746 1.1912 1.1966 1.2426 1.2475 1.3738 1.3861 1.4883 1.4955 1.8329 1.8545 1.8726 1.9000 2.3580 2.3722 2.4685 2.5401 2.6315 2.7605 2.9532 3.0158 3.5246 3.5322 3.6793 3.6858 3.9487 3.9724 4.1885 4.2309 4.4277 4.4469 4.4980 4.5192 5.0815 5.0900 5.3015 5.3082 7.3358 7.3627 7.7913 7.8103 8.1179 8.1276 8.3845 8.3912 8.6175 8.6286 8.9043 8.9163 k = 0.0667 0.5000-0.0000 ( 3604 PWs) bands (ev): -8.8589 -8.8587 -8.7273 -8.7269 -8.0524 -8.0523 -7.7423 -7.7420 -7.5854 -7.5845 -7.4530 -7.4518 -7.0144 -7.0122 -6.9715 -6.9693 -3.1636 -3.1613 -3.0011 -2.9988 -1.5955 -1.5853 -1.5586 -1.5480 0.5244 0.5287 0.5815 0.5876 1.1708 1.1762 1.2135 1.2185 1.3810 1.3962 1.4877 1.4975 1.8576 1.8788 1.8846 1.9144 2.3547 2.3729 2.4703 2.5276 2.6721 2.8083 2.9661 3.0461 3.5347 3.5450 3.6845 3.6932 3.9376 3.9684 4.1723 4.2284 4.4328 4.4584 4.5034 4.5313 5.0805 5.0915 5.2975 5.3061 7.3386 7.3739 7.7982 7.8225 8.1026 8.1163 8.3623 8.3705 8.6311 8.6458 8.9194 8.9347 k = 0.0833 0.5000-0.0000 ( 3596 PWs) bands (ev): -8.8521 -8.8518 -8.7213 -8.7208 -8.0522 -8.0520 -7.7465 -7.7461 -7.5828 -7.5817 -7.4517 -7.4502 -7.0239 -7.0214 -6.9779 -6.9753 -3.1628 -3.1600 -2.9982 -2.9954 -1.6244 -1.6126 -1.5864 -1.5742 0.5357 0.5409 0.5960 0.6034 1.1472 1.1517 1.1809 1.1853 1.3893 1.4077 1.4854 1.4984 1.8834 1.8952 1.9134 1.9323 2.3503 2.3703 2.4832 2.5247 2.7161 2.8578 2.9844 3.0797 3.5480 3.5611 3.6915 3.7027 3.9261 3.9632 4.1544 4.2237 4.4403 4.4720 4.5113 4.5456 5.0801 5.0932 5.2930 5.3034 7.3422 7.3850 7.8065 7.8351 8.0836 8.1022 8.3343 8.3437 8.6502 8.6685 8.9391 8.9573 k = 0.1000 0.5000-0.0000 ( 3600 PWs) bands (ev): -8.8438 -8.8435 -8.7139 -8.7133 -8.0520 -8.0518 -7.7517 -7.7512 -7.5797 -7.5785 -7.4501 -7.4483 -7.0353 -7.0324 -6.9855 -6.9827 -3.1618 -3.1584 -2.9947 -2.9913 -1.6580 -1.6449 -1.6192 -1.6056 0.5488 0.5548 0.6126 0.6213 1.1213 1.1241 1.1463 1.1504 1.3969 1.4195 1.4803 1.4978 1.9032 1.9233 1.9418 1.9561 2.3468 2.3658 2.5047 2.5313 2.7624 2.9083 3.0069 3.1153 3.5644 3.5803 3.7006 3.7143 3.9154 3.9575 4.1355 4.2172 4.4500 4.4877 4.5217 4.5622 5.0806 5.0956 5.2881 5.3001 7.3452 7.3947 7.8148 7.8463 8.0611 8.0858 8.3007 8.3111 8.6751 8.6967 8.9630 8.9840 k = 0.1167 0.5000-0.0000 ( 3604 PWs) bands (ev): -8.8341 -8.8337 -8.7053 -8.7046 -8.0519 -8.0517 -7.7577 -7.7571 -7.5762 -7.5747 -7.4482 -7.4462 -7.0483 -7.0452 -6.9944 -6.9913 -3.1603 -3.1564 -2.9905 -2.9867 -1.6957 -1.6816 -1.6563 -1.6416 0.5631 0.5699 0.6307 0.6407 1.0924 1.0956 1.1106 1.1171 1.4019 1.4303 1.4718 1.4956 1.9241 1.9552 1.9689 1.9862 2.3459 2.3626 2.5319 2.5456 2.8102 2.9591 3.0320 3.1517 3.5838 3.6028 3.7116 3.7283 3.9073 3.9521 4.1165 4.2095 4.4619 4.5051 4.5347 4.5807 5.0820 5.0987 5.2830 5.2963 7.3467 7.4019 7.8219 7.8544 8.0352 8.0680 8.2620 8.2736 8.7058 8.7306 8.9912 9.0146 k = 0.1333 0.5000-0.0000 ( 3610 PWs) bands (ev): -8.8229 -8.8224 -8.6953 -8.6945 -8.0519 -8.0517 -7.7646 -7.7640 -7.5723 -7.5707 -7.4460 -7.4437 -7.0628 -7.0595 -7.0043 -7.0011 -3.1582 -3.1539 -2.9855 -2.9813 -1.7367 -1.7219 -1.6972 -1.6818 0.5782 0.5858 0.6499 0.6610 1.0599 1.0680 1.0751 1.0877 1.4022 1.4380 1.4604 1.4919 1.9492 1.9859 1.9993 2.0186 2.3485 2.3636 2.5605 2.5674 2.8586 3.0093 3.0584 3.1874 3.6063 3.6287 3.7246 3.7451 3.9037 3.9479 4.0983 4.2011 4.4760 4.5242 4.5504 4.6012 5.0847 5.1028 5.2779 5.2924 7.3455 7.4051 7.8263 7.8576 8.0063 8.0494 8.2187 8.2317 8.7423 8.7700 9.0234 9.0490 k = 0.1500 0.5000-0.0000 ( 3608 PWs) bands (ev): -8.8103 -8.8097 -8.6841 -8.6833 -8.0522 -8.0520 -7.7725 -7.7717 -7.5680 -7.5663 -7.4435 -7.4410 -7.0786 -7.0753 -7.0153 -7.0119 -3.1555 -3.1509 -2.9799 -2.9753 -1.7806 -1.7652 -1.7413 -1.7253 0.5933 0.6018 0.6692 0.6815 1.0262 1.0411 1.0420 1.0625 1.3962 1.4349 1.4528 1.4870 1.9786 2.0162 2.0333 2.0514 2.3553 2.3706 2.5850 2.5979 2.9070 3.0580 3.0846 3.2211 3.6317 3.6584 3.7396 3.7650 3.9065 3.9461 4.0823 4.1930 4.4923 4.5447 4.5687 4.6235 5.0887 5.1081 5.2730 5.2884 7.3405 7.4030 7.8264 7.8544 7.9747 8.0304 8.1719 8.1863 8.7843 8.8146 9.0592 9.0870 k = 0.1667 0.5000-0.0000 ( 3612 PWs) bands (ev): -8.7962 -8.7957 -8.6717 -8.6708 -8.0529 -8.0527 -7.7812 -7.7803 -7.5635 -7.5616 -7.4408 -7.4380 -7.0956 -7.0922 -7.0271 -7.0237 -3.1522 -3.1472 -2.9737 -2.9687 -1.8267 -1.8109 -1.7882 -1.7717 0.6078 0.6171 0.6881 0.7011 0.9932 1.0110 1.0175 1.0416 1.3832 1.4171 1.4523 1.4807 2.0116 2.0482 2.0680 2.0838 2.3675 2.3836 2.6088 2.6301 2.9547 3.1041 3.1099 3.2516 3.6594 3.6921 3.7572 3.7881 3.9169 3.9481 4.0696 4.1856 4.5107 4.5664 4.5898 4.6475 5.0941 5.1147 5.2682 5.2843 7.3308 7.3947 7.8203 7.8439 7.9408 8.0099 8.1228 8.1384 8.8313 8.8639 9.0978 9.1275 k = 0.1833 0.5000-0.0000 ( 3612 PWs) bands (ev): -8.7809 -8.7802 -8.6582 -8.6571 -8.0540 -8.0538 -7.7908 -7.7899 -7.5588 -7.5568 -7.4378 -7.4348 -7.1136 -7.1101 -7.0398 -7.0364 -3.1481 -3.1427 -2.9668 -2.9615 -1.8746 -1.8584 -1.8372 -1.8205 0.6209 0.6308 0.7054 0.7185 0.9629 0.9851 0.9966 1.0253 1.3642 1.3936 1.4502 1.4727 2.0473 2.0820 2.1009 2.1164 2.3857 2.4027 2.6321 2.6604 3.0014 3.1322 3.1487 3.2783 3.6876 3.7299 3.7793 3.8143 3.9338 3.9567 4.0616 4.1798 4.5313 4.5893 4.6135 4.6731 5.1009 5.1225 5.2638 5.2804 7.3157 7.3795 7.8067 7.8265 7.9051 7.9848 8.0746 8.0892 8.8824 8.9171 9.1378 9.1690 k = 0.2000 0.5000-0.0000 ( 3612 PWs) bands (ev): -8.7642 -8.7635 -8.6435 -8.6423 -8.0556 -8.0555 -7.8014 -7.8004 -7.5539 -7.5517 -7.4346 -7.4313 -7.1323 -7.1287 -7.0533 -7.0497 -3.1431 -3.1374 -2.9592 -2.9536 -1.9237 -1.9073 -1.8879 -1.8709 0.6317 0.6421 0.7199 0.7323 0.9369 0.9652 0.9802 1.0138 1.3405 1.3669 1.4446 1.4625 2.0836 2.1160 2.1303 2.1499 2.4099 2.4279 2.6538 2.6871 3.0471 3.1532 3.1898 3.3009 3.7143 3.7718 3.8087 3.8433 3.9512 3.9778 4.0600 4.1762 4.5539 4.6135 4.6396 4.7002 5.1091 5.1316 5.2596 5.2767 7.2947 7.3570 7.7846 7.8024 7.8675 7.9493 8.0309 8.0408 8.9367 8.9733 9.1764 9.2082 k = 0.2167 0.5000-0.0000 ( 3608 PWs) bands (ev): -8.7462 -8.7454 -8.6277 -8.6264 -8.0580 -8.0579 -7.8129 -7.8118 -7.5489 -7.5466 -7.4312 -7.4277 -7.1515 -7.1479 -7.0673 -7.0637 -3.1372 -3.1312 -2.9508 -2.9451 -1.9738 -1.9571 -1.9396 -1.9226 0.6397 0.6501 0.7297 0.7409 0.9173 0.9527 0.9692 1.0074 1.3138 1.3379 1.4362 1.4505 2.1166 2.1452 2.1613 2.1826 2.4395 2.4601 2.6732 2.7088 3.0920 3.1723 3.2286 3.3198 3.7388 3.8162 3.8464 3.8750 3.9681 4.0119 4.0667 4.1755 4.5787 4.6391 4.6679 4.7287 5.1185 5.1419 5.2557 5.2731 7.2678 7.3273 7.7550 7.7716 7.8276 7.9008 7.9871 8.0013 8.9928 9.0312 9.2085 9.2390 k = 0.2333 0.5000-0.0000 ( 3616 PWs) bands (ev): -8.7270 -8.7262 -8.6109 -8.6096 -8.0613 -8.0612 -7.8254 -7.8242 -7.5439 -7.5415 -7.4275 -7.4238 -7.1709 -7.1673 -7.0817 -7.0781 -3.1302 -3.1240 -2.9419 -2.9358 -2.0245 -2.0078 -1.9919 -1.9749 0.6443 0.6545 0.7329 0.7434 0.9061 0.9480 0.9640 1.0056 1.2852 1.3075 1.4261 1.4375 2.1396 2.1682 2.1971 2.2129 2.4744 2.4986 2.6907 2.7250 3.1359 3.1900 3.2654 3.3355 3.7627 3.8590 3.8913 3.9112 3.9873 4.0533 4.0831 4.1781 4.6055 4.6661 4.6982 4.7587 5.1291 5.1533 5.2522 5.2697 7.2350 7.2908 7.7189 7.7344 7.7835 7.8429 7.9408 7.9693 9.0483 9.0886 9.2259 9.2518 k = 0.2500 0.5000-0.0000 ( 3610 PWs) bands (ev): -8.7066 -8.7057 -8.5931 -8.5917 -8.0655 -8.0654 -7.8389 -7.8376 -7.5389 -7.5364 -7.4236 -7.4197 -7.1903 -7.1867 -7.0966 -7.0929 -3.1221 -3.1156 -2.9321 -2.9259 -2.0754 -2.0590 -2.0440 -2.0275 0.6458 0.6555 0.7292 0.7399 0.9038 0.9495 0.9647 1.0071 1.2565 1.2768 1.4159 1.4249 2.1492 2.1863 2.2316 2.2421 2.5147 2.5418 2.7075 2.7370 3.1790 3.2067 3.3007 3.3491 3.7880 3.8957 3.9422 3.9532 4.0109 4.0990 4.1100 4.1846 4.6345 4.6946 4.7303 4.7900 5.1407 5.1658 5.2491 5.2667 7.1969 7.2482 7.6777 7.6924 7.7344 7.7805 7.8958 7.9371 9.0996 9.1427 9.2238 9.2431 k = 0.2667 0.5000-0.0000 ( 3600 PWs) bands (ev): -8.6850 -8.6841 -8.5745 -8.5730 -8.0709 -8.0708 -7.8532 -7.8519 -7.5339 -7.5314 -7.4195 -7.4154 -7.2094 -7.2058 -7.1116 -7.1079 -3.1128 -3.1060 -2.9216 -2.9152 -2.1265 -2.1106 -2.0955 -2.0798 0.6447 0.6538 0.7208 0.7316 0.9087 0.9539 0.9699 1.0100 1.2292 1.2472 1.4076 1.4144 2.1487 2.1946 2.2568 2.2742 2.5597 2.5869 2.7242 2.7494 3.2202 3.2233 3.3337 3.3620 3.8161 3.9271 3.9916 4.0006 4.0435 4.1434 4.1490 4.1958 4.6654 4.7246 4.7642 4.8226 5.1532 5.1790 5.2463 5.2640 7.1539 7.2004 7.6318 7.6471 7.6805 7.7160 7.8518 7.9020 9.1362 9.1859 9.2064 9.2316 k = 0.2833 0.5000-0.0000 ( 3596 PWs) bands (ev): -8.6624 -8.6615 -8.5550 -8.5535 -8.0776 -8.0774 -7.8685 -7.8671 -7.5291 -7.5266 -7.4151 -7.4109 -7.2280 -7.2243 -7.1268 -7.1231 -3.1022 -3.0952 -2.9103 -2.9038 -2.1776 -2.1625 -2.1460 -2.1313 0.6421 0.6503 0.7101 0.7205 0.9166 0.9584 0.9769 1.0123 1.2054 1.2209 1.4032 1.4078 2.1401 2.1916 2.2726 2.3034 2.6062 2.6314 2.7398 2.7717 3.2377 3.2605 3.3598 3.3790 3.8475 3.9569 4.0271 4.0570 4.0885 4.1832 4.1966 4.2135 4.6982 4.7559 4.7998 4.8564 5.1662 5.1927 5.2439 5.2616 7.1067 7.1484 7.5821 7.5992 7.6232 7.6510 7.8077 7.8632 9.1333 9.1698 9.2208 9.2541 k = 0.3000 0.5000-0.0000 ( 3590 PWs) bands (ev): -8.6388 -8.6378 -8.5349 -8.5333 -8.0857 -8.0855 -7.8847 -7.8832 -7.5246 -7.5221 -7.4105 -7.4061 -7.2457 -7.2420 -7.1420 -7.1382 -3.0902 -3.0831 -2.8982 -2.8915 -2.2284 -2.2143 -2.1951 -2.1818 0.6388 0.6462 0.6990 0.7088 0.9235 0.9607 0.9810 1.0117 1.1880 1.2011 1.4043 1.4071 2.1244 2.1785 2.2787 2.3238 2.6493 2.6742 2.7596 2.8080 3.2517 3.2967 3.3741 3.4051 3.8826 3.9873 4.0589 4.1144 4.1405 4.2183 4.2364 4.2505 4.7327 4.7884 4.8369 4.8914 5.1795 5.2067 5.2418 5.2597 7.0562 7.0932 7.5292 7.5492 7.5644 7.5866 7.7628 7.8209 9.1039 9.1313 9.2500 9.2833 k = 0.3167 0.5000-0.0000 ( 3592 PWs) bands (ev): -8.6143 -8.6133 -8.5142 -8.5126 -8.0954 -8.0951 -7.9016 -7.9000 -7.5203 -7.5179 -7.4057 -7.4012 -7.2624 -7.2587 -7.1571 -7.1533 -3.0768 -3.0695 -2.8852 -2.8784 -2.2789 -2.2658 -2.2429 -2.2308 0.6357 0.6423 0.6886 0.6979 0.9259 0.9589 0.9776 1.0059 1.1806 1.1917 1.4115 1.4142 2.1026 2.1569 2.2741 2.3314 2.6863 2.7142 2.7932 2.8548 3.2642 3.3271 3.3849 3.4321 3.9212 4.0193 4.0918 4.1703 4.1938 4.2454 4.2778 4.2975 4.7683 4.8218 4.8752 4.9275 5.1927 5.2202 5.2405 5.2586 7.0034 7.0357 7.4741 7.4975 7.5058 7.5237 7.7169 7.7754 9.0684 9.0921 9.2708 9.3025 k = 0.3333 0.5000-0.0000 ( 3588 PWs) bands (ev): -8.5890 -8.5879 -8.4931 -8.4914 -8.1068 -8.1063 -7.9192 -7.9176 -7.5165 -7.5140 -7.4005 -7.3960 -7.2778 -7.2742 -7.1720 -7.1681 -3.0620 -3.0545 -2.8712 -2.8642 -2.3288 -2.3165 -2.2893 -2.2781 0.6336 0.6395 0.6798 0.6887 0.9220 0.9518 0.9654 0.9926 1.1852 1.1950 1.4249 1.4300 2.0756 2.1285 2.2591 2.3245 2.7202 2.7519 2.8411 2.9079 3.2748 3.3486 3.3977 3.4562 3.9627 4.0531 4.1272 4.2231 4.2451 4.2732 4.3207 4.3432 4.8047 4.8556 4.9145 4.9645 5.2052 5.2301 5.2424 5.2594 6.9491 6.9772 7.4180 7.4446 7.4487 7.4632 7.6700 7.7276 9.0327 9.0545 9.2808 9.3105 k = 0.3500 0.5000-0.0000 ( 3592 PWs) bands (ev): -8.5629 -8.5618 -8.4717 -8.4700 -8.1199 -8.1193 -7.9374 -7.9357 -7.5130 -7.5107 -7.3951 -7.3905 -7.2917 -7.2882 -7.1865 -7.1826 -3.0457 -3.0381 -2.8562 -2.8492 -2.3778 -2.3661 -2.3341 -2.3237 0.6330 0.6381 0.6730 0.6816 0.9117 0.9388 0.9462 0.9721 1.2007 1.2102 1.4450 1.4532 2.0441 2.0947 2.2351 2.3042 2.7550 2.7899 2.8963 2.9638 3.2832 3.3594 3.4139 3.4762 4.0065 4.0889 4.1649 4.2717 4.2931 4.3037 4.3621 4.3861 4.8411 4.8893 4.9544 5.0020 5.2158 5.2320 5.2503 5.2640 6.8945 6.9186 7.3624 7.3912 7.3942 7.4055 7.6228 7.6783 8.9991 9.0196 9.2817 9.3095 k = 0.3667 0.5000-0.0000 ( 3580 PWs) bands (ev): -8.5362 -8.5350 -8.4503 -8.4486 -8.1348 -8.1341 -7.9559 -7.9542 -7.5101 -7.5078 -7.3894 -7.3847 -7.3040 -7.3007 -7.2007 -7.1967 -3.0280 -3.0203 -2.8402 -2.8330 -2.4255 -2.4144 -2.3772 -2.3674 0.6342 0.6388 0.6686 0.6771 0.8962 0.9211 0.9227 0.9469 1.2243 1.2344 1.4715 1.4828 2.0093 2.0567 2.2038 2.2730 2.7919 2.8288 2.9538 3.0201 3.2891 3.3623 3.4302 3.4915 4.0516 4.1262 4.2043 4.3150 4.3365 4.3367 4.4010 4.4257 4.8769 4.9223 4.9944 5.0396 5.2234 5.2310 5.2589 5.2740 6.8406 6.8612 7.3092 7.3389 7.3424 7.3510 7.5762 7.6287 8.9688 8.9882 9.2767 9.3032 k = 0.3833 0.5000-0.0000 ( 3572 PWs) bands (ev): -8.5089 -8.5078 -8.4291 -8.4274 -8.1514 -8.1506 -7.9744 -7.9727 -7.5076 -7.5055 -7.3833 -7.3787 -7.3146 -7.3116 -7.2143 -7.2104 -3.0089 -3.0012 -2.8230 -2.8157 -2.4717 -2.4610 -2.4186 -2.4092 0.6374 0.6416 0.6667 0.6752 0.8768 0.8971 0.8997 0.9192 1.2533 1.2645 1.5031 1.5177 1.9720 2.0158 2.1668 2.2338 2.8303 2.8676 3.0110 3.0752 3.2926 3.3602 3.4435 3.5018 4.0968 4.1643 4.2441 4.3523 4.3701 4.3755 4.4365 4.4614 4.9110 4.9534 5.0334 5.0763 5.2273 5.2295 5.2686 5.2865 6.7887 6.8060 7.2598 7.2898 7.2933 7.3001 7.5312 7.5798 8.9425 8.9609 9.2690 9.2944 k = 0.4000 0.5000-0.0000 ( 3562 PWs) bands (ev): -8.4813 -8.4801 -8.4084 -8.4068 -8.1697 -8.1689 -7.9927 -7.9911 -7.5057 -7.5038 -7.3771 -7.3725 -7.3236 -7.3208 -7.2273 -7.2234 -2.9886 -2.9808 -2.8046 -2.7973 -2.5158 -2.5057 -2.4582 -2.4491 0.6429 0.6469 0.6674 0.6760 0.8549 0.8707 0.8762 0.8907 1.2859 1.2979 1.5391 1.5568 1.9333 1.9731 2.1257 2.1890 2.8688 2.9053 3.0663 3.1279 3.2939 3.3548 3.4525 3.5071 4.1411 4.2019 4.2830 4.3836 4.4024 4.4100 4.4679 4.4929 4.9428 4.9820 5.0706 5.1113 5.2267 5.2306 5.2795 5.2990 6.7398 6.7543 7.2156 7.2451 7.2479 7.2530 7.4888 7.5328 8.9204 8.9376 9.2611 9.2854 k = 0.4167 0.5000-0.0000 ( 3562 PWs) bands (ev): -8.4535 -8.4523 -8.3887 -8.3872 -8.1897 -8.1888 -8.0104 -8.0088 -7.5042 -7.5025 -7.3706 -7.3662 -7.3308 -7.3284 -7.2394 -7.2356 -2.9672 -2.9596 -2.7851 -2.7776 -2.5575 -2.5479 -2.4959 -2.4871 0.6507 0.6544 0.6708 0.6795 0.8318 0.8443 0.8517 0.8623 1.3203 1.3330 1.5783 1.5990 1.8944 1.9298 2.0818 2.1406 2.9058 2.9403 3.1184 3.1767 3.2934 3.3469 3.4568 3.5075 4.1832 4.2376 4.3196 4.4084 4.4313 4.4408 4.4946 4.5195 4.9715 5.0068 5.1048 5.1428 5.2247 5.2328 5.2908 5.3104 6.6954 6.7074 7.1774 7.2056 7.2072 7.2106 7.4505 7.4890 8.9026 8.9184 9.2543 9.2771 k = 0.4333 0.5000-0.0000 ( 3574 PWs) bands (ev): -8.4256 -8.4244 -8.3707 -8.3693 -8.2112 -8.2102 -8.0267 -8.0253 -7.5031 -7.5018 -7.3641 -7.3600 -7.3365 -7.3346 -7.2506 -7.2470 -2.9454 -2.9382 -2.7643 -2.7568 -2.5960 -2.5872 -2.5316 -2.5231 0.6608 0.6642 0.6769 0.6858 0.8084 0.8187 0.8271 0.8347 1.3551 1.3679 1.6198 1.6435 1.8569 1.8872 2.0364 2.0901 2.9402 2.9713 3.1662 3.2202 3.2920 3.3371 3.4570 3.5033 4.2218 4.2694 4.3524 4.4263 4.4555 4.4683 4.5164 4.5408 4.9966 5.0270 5.1344 5.1693 5.2234 5.2360 5.3017 5.3202 6.6568 6.6663 7.1460 7.1717 7.1721 7.1739 7.4173 7.4497 8.8892 8.9030 9.2498 9.2703 k = 0.4500 0.5000-0.0000 ( 3576 PWs) bands (ev): -8.3980 -8.3967 -8.3549 -8.3538 -8.2339 -8.2328 -8.0410 -8.0398 -7.5024 -7.5013 -7.3578 -7.3542 -7.3407 -7.3392 -7.2602 -7.2570 -2.9239 -2.9173 -2.7424 -2.7349 -2.6301 -2.6223 -2.5652 -2.5570 0.6730 0.6762 0.6859 0.6946 0.7858 0.7941 0.8031 0.8084 1.3884 1.4005 1.6626 1.6888 1.8229 1.8472 1.9910 2.0389 2.9706 2.9968 3.2083 3.2562 3.2911 3.3267 3.4544 3.4950 4.2560 4.2953 4.3805 4.4376 4.4755 4.4910 4.5340 4.5564 5.0177 5.0421 5.1582 5.1880 5.2247 5.2405 5.3117 5.3277 6.6253 6.6325 7.1221 7.1426 7.1440 7.1456 7.3910 7.4163 8.8800 8.8912 9.2479 9.2651 k = 0.4667 0.5000-0.0000 ( 3592 PWs) bands (ev): -8.3710 -8.3698 -8.3425 -8.3417 -8.2573 -8.2562 -8.0522 -8.0513 -7.5018 -7.5011 -7.3523 -7.3494 -7.3434 -7.3425 -7.2679 -7.2654 -2.9043 -2.8990 -2.7195 -2.7123 -2.6579 -2.6519 -2.5962 -2.5884 0.6872 0.6897 0.6975 0.7057 0.7647 0.7712 0.7804 0.7839 1.4177 1.4276 1.7048 1.7324 1.7958 1.8123 1.9485 1.9887 2.9957 3.0150 3.2427 3.2805 3.2929 3.3179 3.4515 3.4836 4.2843 4.3130 4.4033 4.4424 4.4917 4.5064 4.5480 4.5659 5.0343 5.0515 5.1752 5.1963 5.2308 5.2452 5.3203 5.3323 6.6021 6.6070 7.1058 7.1195 7.1235 7.1253 7.3724 7.3899 8.8746 8.8825 9.2484 9.2606 k = 0.4833 0.5000-0.0000 ( 3592 PWs) bands (ev): -8.3461 -8.3450 -8.3344 -8.3339 -8.2799 -8.2790 -8.0594 -8.0589 -7.5015 -7.5011 -7.3483 -7.3466 -7.3446 -7.3442 -7.2727 -7.2713 -2.8893 -2.8862 -2.6972 -2.6910 -2.6763 -2.6730 -2.6223 -2.6160 0.7027 0.7041 0.7107 0.7173 0.7474 0.7517 0.7596 0.7623 1.4395 1.4454 1.7419 1.7660 1.7804 1.7874 1.9164 1.9433 3.0140 3.0243 3.2662 3.2864 3.3004 3.3147 3.4521 3.4706 4.3055 4.3208 4.4211 4.4410 4.5042 4.5132 4.5593 4.5693 5.0464 5.0552 5.1862 5.1967 5.2394 5.2476 5.3273 5.3337 6.5884 6.5908 7.0974 7.1041 7.1114 7.1126 7.3628 7.3717 8.8725 8.8766 9.2506 9.2558 k = 0.5000 0.5000-0.0000 ( 3596 PWs) bands (ev): -8.3316 -8.3316 -8.3313 -8.3313 -8.2928 -8.2928 -8.0618 -8.0618 -7.5012 -7.5012 -7.3468 -7.3468 -7.3443 -7.3443 -7.2739 -7.2739 -2.8825 -2.8825 -2.6827 -2.6827 -2.6812 -2.6812 -2.6329 -2.6329 0.7154 0.7154 0.7173 0.7173 0.7447 0.7447 0.7462 0.7462 1.4497 1.4497 1.7636 1.7636 1.7827 1.7827 1.9129 1.9129 3.0238 3.0238 3.2794 3.2794 3.3102 3.3102 3.4589 3.4589 4.3181 4.3181 4.4337 4.4337 4.5119 4.5119 4.5668 4.5668 5.0534 5.0534 5.1930 5.1930 5.2457 5.2457 5.3319 5.3319 6.5845 6.5845 7.0968 7.0968 7.1078 7.1078 7.3625 7.3625 8.8733 8.8733 9.2519 9.2519 k = 0.5000 0.5000-0.0000 ( 3596 PWs) bands (ev): -8.3316 -8.3316 -8.3313 -8.3313 -8.2928 -8.2928 -8.0618 -8.0618 -7.5012 -7.5012 -7.3468 -7.3468 -7.3443 -7.3443 -7.2739 -7.2739 -2.8825 -2.8825 -2.6827 -2.6827 -2.6812 -2.6812 -2.6329 -2.6329 0.7154 0.7154 0.7173 0.7173 0.7447 0.7447 0.7462 0.7462 1.4497 1.4497 1.7636 1.7636 1.7827 1.7827 1.9129 1.9129 3.0238 3.0238 3.2794 3.2794 3.3102 3.3102 3.4589 3.4589 4.3181 4.3181 4.4337 4.4337 4.5119 4.5119 4.5668 4.5668 5.0534 5.0534 5.1930 5.1930 5.2457 5.2457 5.3319 5.3319 6.5845 6.5845 7.0968 7.0968 7.1078 7.1078 7.3625 7.3625 8.8733 8.8733 9.2519 9.2519 k = 0.4881 0.4881-0.0000 ( 3596 PWs) bands (ev): -8.3484 -8.3472 -8.3317 -8.3315 -8.2803 -8.2794 -8.0593 -8.0589 -7.5015 -7.5011 -7.3480 -7.3465 -7.3449 -7.3444 -7.2727 -7.2712 -2.8896 -2.8864 -2.6916 -2.6880 -2.6799 -2.6791 -2.6218 -2.6147 0.6967 0.7075 0.7157 0.7185 0.7443 0.7466 0.7574 0.7692 1.4390 1.4453 1.7462 1.7703 1.7745 1.7839 1.9162 1.9448 3.0137 3.0243 3.2670 3.2865 3.2990 3.3148 3.4517 3.4712 4.3050 4.3209 4.4213 4.4408 4.5033 4.5139 4.5595 4.5690 5.0463 5.0552 5.1863 5.1967 5.2392 5.2476 5.3272 5.3338 6.5884 6.5909 7.0975 7.1035 7.1119 7.1128 7.3628 7.3718 8.8725 8.8767 9.2517 9.2545 k = 0.4762 0.4762-0.0000 ( 3592 PWs) bands (ev): -8.3782 -8.3768 -8.3323 -8.3319 -8.2608 -8.2598 -8.0517 -8.0507 -7.5018 -7.5011 -7.3504 -7.3474 -7.3459 -7.3446 -7.2676 -7.2649 -2.9068 -2.9007 -2.7003 -2.6973 -2.6757 -2.6738 -2.5920 -2.5823 0.6760 0.6882 0.7153 0.7201 0.7442 0.7489 0.7876 0.8008 1.4141 1.4265 1.7267 1.7508 1.7776 1.7857 1.9506 1.9960 2.9945 3.0150 3.2504 3.2811 3.2873 3.3126 3.4499 3.4874 4.2818 4.3137 4.4060 4.4407 4.4865 4.5115 4.5494 4.5641 5.0340 5.0513 5.1765 5.1970 5.2285 5.2447 5.3197 5.3326 6.6024 6.6072 7.1053 7.1140 7.1254 7.1304 7.3727 7.3905 8.8743 8.8826 9.2544 9.2584 k = 0.4643 0.4643-0.0000 ( 3584 PWs) bands (ev): -8.4119 -8.4103 -8.3332 -8.3327 -8.2437 -8.2428 -8.0389 -8.0376 -7.5020 -7.5010 -7.3536 -7.3498 -7.3466 -7.3445 -7.2592 -7.2556 -2.9318 -2.9237 -2.7032 -2.7006 -2.6684 -2.6656 -2.5550 -2.5439 0.6583 0.6712 0.7154 0.7225 0.7448 0.7518 0.8225 0.8366 1.3773 1.3952 1.7102 1.7335 1.7780 1.7912 1.9993 2.0557 2.9676 2.9966 3.2301 3.2594 3.2789 3.3046 3.4530 3.5059 4.2492 4.2962 4.3897 4.4328 4.4624 4.5045 4.5361 4.5532 5.0171 5.0418 5.1636 5.1927 5.2152 5.2372 5.3103 5.3288 6.6256 6.6325 7.1179 7.1283 7.1486 7.1601 7.3915 7.4177 8.8787 8.8910 9.2609 9.2670 k = 0.4524 0.4524-0.0000 ( 3566 PWs) bands (ev): -8.4477 -8.4462 -8.3346 -8.3338 -8.2303 -8.2293 -8.0217 -8.0199 -7.5021 -7.5008 -7.3573 -7.3529 -7.3472 -7.3443 -7.2481 -7.2438 -2.9619 -2.9526 -2.7005 -2.6974 -2.6581 -2.6545 -2.5141 -2.5021 0.6440 0.6576 0.7161 0.7255 0.7461 0.7554 0.8607 0.8757 1.3322 1.3545 1.6978 1.7233 1.7788 1.7982 2.0535 2.1188 2.9342 2.9705 3.2059 3.2341 3.2622 3.2916 3.4592 3.5252 4.2094 4.2691 4.3718 4.4165 4.4345 4.4891 4.5208 4.5398 4.9958 5.0265 5.1477 5.1806 5.2025 5.2258 5.2998 5.3227 6.6567 6.6654 7.1346 7.1466 7.1819 7.1996 7.4185 7.4524 8.8859 8.9019 9.2728 9.2798 k = 0.4405 0.4405-0.0000 ( 3559 PWs) bands (ev): -8.4852 -8.4836 -8.3363 -8.3354 -8.2204 -8.2192 -8.0008 -7.9987 -7.5020 -7.5004 -7.3610 -7.3563 -7.3476 -7.3441 -7.2349 -7.2301 -2.9952 -2.9851 -2.6931 -2.6891 -2.6451 -2.6407 -2.4708 -2.4581 0.6330 0.6478 0.7174 0.7289 0.7482 0.7596 0.9014 0.9176 1.2822 1.3080 1.6891 1.7192 1.7806 1.8060 2.1091 2.1826 2.8958 2.9379 3.1772 3.2062 3.2384 3.2739 3.4664 3.5437 4.1652 4.2346 4.3494 4.3892 4.4078 4.4620 4.5079 4.5253 4.9703 5.0059 5.1287 5.1603 5.1900 5.2111 5.2893 5.3151 6.6938 6.7040 7.1547 7.1682 7.2238 7.2471 7.4523 7.4933 8.8959 8.9152 9.2897 9.2963 k = 0.4286 0.4286-0.0000 ( 3563 PWs) bands (ev): -8.5238 -8.5222 -8.3386 -8.3375 -8.2134 -8.2120 -7.9771 -7.9748 -7.5013 -7.4996 -7.3646 -7.3596 -7.3478 -7.3438 -7.2200 -7.2148 -3.0302 -3.0196 -2.6816 -2.6768 -2.6296 -2.6244 -2.4259 -2.4125 0.6254 0.6416 0.7191 0.7327 0.7510 0.7646 0.9442 0.9617 1.2302 1.2587 1.6838 1.7193 1.7834 1.8148 2.1636 2.2450 2.8535 2.9001 3.1441 3.1761 3.2095 3.2521 3.4728 3.5604 4.1194 4.1954 4.3176 4.3508 4.3842 4.4291 4.4966 4.5099 4.9411 4.9806 5.1067 5.1351 5.1743 5.1936 5.2799 5.3068 6.7354 6.7465 7.1776 7.1925 7.2726 7.3008 7.4916 7.5389 8.9092 8.9312 9.3109 9.3153 k = 0.4167 0.4167-0.0000 ( 3563 PWs) bands (ev): -8.5632 -8.5616 -8.3413 -8.3401 -8.2086 -8.2070 -7.9515 -7.9489 -7.5001 -7.4982 -7.3678 -7.3627 -7.3476 -7.3433 -7.2038 -7.1982 -3.0659 -3.0551 -2.6670 -2.6613 -2.6118 -2.6059 -2.3798 -2.3659 0.6208 0.6390 0.7215 0.7370 0.7547 0.7702 0.9877 1.0068 1.1790 1.2097 1.6812 1.7223 1.7874 1.8246 2.2152 2.3040 2.8087 2.8581 3.1071 3.1439 3.1769 3.2269 3.4769 3.5743 4.0750 4.1549 4.2722 4.3049 4.3622 4.3974 4.4846 4.4939 4.9085 4.9510 5.0821 5.1068 5.1543 5.1736 5.2723 5.2983 6.7798 6.7912 7.2026 7.2188 7.3265 7.3592 7.5349 7.5878 8.9261 8.9504 9.3336 9.3352 k = 0.4048 0.4048-0.0000 ( 3563 PWs) bands (ev): -8.6032 -8.6016 -8.3447 -8.3433 -8.2057 -8.2038 -7.9245 -7.9218 -7.4982 -7.4962 -7.3705 -7.3654 -7.3470 -7.3424 -7.1865 -7.1807 -3.1019 -3.0910 -2.6497 -2.6433 -2.5921 -2.5854 -2.3329 -2.3183 0.6191 0.6397 0.7245 0.7417 0.7594 0.7766 1.0284 1.0491 1.1343 1.1650 1.6807 1.7274 1.7925 1.8354 2.2623 2.3570 2.7631 2.8132 3.0671 3.1092 3.1425 3.1992 3.4775 3.5846 4.0341 4.1158 4.2143 4.2538 4.3413 4.3690 4.4709 4.4777 4.8728 4.9177 5.0550 5.0762 5.1305 5.1507 5.2665 5.2902 6.8254 6.8368 7.2288 7.2462 7.3836 7.4204 7.5809 7.6385 8.9472 8.9736 9.3493 9.3571 k = 0.3929 0.3929-0.0000 ( 3571 PWs) bands (ev): -8.6436 -8.6420 -8.3486 -8.3471 -8.2042 -8.2021 -7.8966 -7.8938 -7.4956 -7.4935 -7.3727 -7.3676 -7.3458 -7.3410 -7.1686 -7.1626 -3.1377 -3.1268 -2.6303 -2.6232 -2.5707 -2.5635 -2.2853 -2.2702 0.6195 0.6434 0.7281 0.7467 0.7650 0.7837 1.0429 1.0699 1.1226 1.1410 1.6818 1.7339 1.7986 1.8471 2.3034 2.4006 2.7196 2.7664 3.0252 3.0721 3.1078 3.1698 3.4739 3.5904 3.9982 4.0791 4.1486 4.2004 4.3204 4.3427 4.4549 4.4614 4.8345 4.8814 5.0259 5.0441 5.1041 5.1252 5.2623 5.2828 6.8709 6.8818 7.2552 7.2739 7.4420 7.4826 7.6280 7.6898 8.9726 9.0008 9.3557 9.3727 k = 0.3810 0.3810-0.0000 ( 3581 PWs) bands (ev): -8.6842 -8.6827 -8.3533 -8.3516 -8.2039 -8.2017 -7.8681 -7.8652 -7.4922 -7.4900 -7.3740 -7.3690 -7.3439 -7.3390 -7.1502 -7.1441 -3.1732 -3.1624 -2.6093 -2.6015 -2.5481 -2.5403 -2.2373 -2.2215 0.6214 0.6494 0.7324 0.7521 0.7716 0.7915 1.0110 1.0512 1.1504 1.1702 1.6842 1.7415 1.8057 1.8597 2.3370 2.4293 2.6830 2.7193 2.9824 3.0330 3.0738 3.1393 3.4655 3.5908 3.9667 4.0432 4.0810 4.1499 4.2989 4.3175 4.4369 4.4444 4.7939 4.8424 4.9954 5.0110 5.0760 5.0976 5.2590 5.2764 6.9150 6.9252 7.2810 7.3010 7.5000 7.5440 7.6752 7.7404 9.0021 9.0321 9.3486 9.3745 k = 0.3690 0.3690-0.0000 ( 3585 PWs) bands (ev): -8.7248 -8.7233 -8.3586 -8.3568 -8.2048 -8.2024 -7.8392 -7.8362 -7.4879 -7.4857 -7.3745 -7.3697 -7.3411 -7.3361 -7.1317 -7.1254 -3.2084 -3.1976 -2.5869 -2.5785 -2.5246 -2.5162 -2.1889 -2.1725 0.6238 0.6568 0.7374 0.7582 0.7793 0.8002 0.9722 1.0194 1.1910 1.2144 1.6876 1.7499 1.8140 1.8733 2.3609 2.4356 2.6608 2.6744 2.9401 2.9932 3.0412 3.1085 3.4520 3.5848 3.9336 3.9996 4.0243 4.1107 4.2768 4.2932 4.4175 4.4263 4.7516 4.8013 4.9640 4.9776 5.0468 5.0687 5.2566 5.2709 6.9567 6.9662 7.3055 7.3268 7.5557 7.6030 7.7213 7.7894 9.0347 9.0664 9.3261 9.3578 k = 0.3571 0.3571-0.0000 ( 3589 PWs) bands (ev): -8.7653 -8.7639 -8.3647 -8.3628 -8.2067 -8.2042 -7.8101 -7.8070 -7.4828 -7.4805 -7.3740 -7.3693 -7.3374 -7.3324 -7.1132 -7.1068 -3.2429 -3.2324 -2.5637 -2.5548 -2.5007 -2.4918 -2.1404 -2.1233 0.6253 0.6639 0.7433 0.7651 0.7879 0.8098 0.9379 0.9912 1.2321 1.2582 1.6919 1.7591 1.8232 1.8877 2.3723 2.4168 2.6355 2.6565 2.8992 2.9541 3.0102 3.0779 3.4330 3.5714 3.8849 3.9466 3.9935 4.0891 4.2539 4.2698 4.3971 4.4066 4.7080 4.7585 4.9323 4.9445 5.0172 5.0389 5.2549 5.2664 6.9947 7.0041 7.3279 7.3506 7.6078 7.6580 7.7654 7.8359 9.0690 9.1022 9.2895 9.3221 k = 0.3452 0.3452-0.0000 ( 3591 PWs) bands (ev): -8.8055 -8.8042 -8.3716 -8.3696 -8.2096 -8.2070 -7.7807 -7.7776 -7.4768 -7.4745 -7.3723 -7.3679 -7.3326 -7.3276 -7.0950 -7.0885 -3.2770 -3.2666 -2.5400 -2.5306 -2.4767 -2.4673 -2.0918 -2.0740 0.6244 0.6681 0.7504 0.7729 0.7977 0.8203 0.9124 0.9707 1.2695 1.2983 1.6970 1.7689 1.8334 1.9029 2.3668 2.3808 2.6084 2.6641 2.8606 2.9167 2.9810 3.0480 3.4079 3.5491 3.8222 3.8902 3.9865 4.0822 4.2302 4.2483 4.3759 4.3852 4.6640 4.7147 4.9008 4.9122 4.9877 5.0089 5.2538 5.2632 7.0281 7.0385 7.3479 7.3720 7.6549 7.7075 7.8069 7.8792 9.1020 9.1349 9.2430 9.2725 k = 0.3333 0.3333-0.0000 ( 3593 PWs) bands (ev): -8.8454 -8.8441 -8.3792 -8.3772 -8.2135 -8.2109 -7.7513 -7.7481 -7.4699 -7.4676 -7.3694 -7.3653 -7.3267 -7.3217 -7.0772 -7.0707 -3.3104 -3.3003 -2.5164 -2.5065 -2.4530 -2.4432 -2.0433 -2.0247 0.6198 0.6663 0.7591 0.7817 0.8090 0.8320 0.8987 0.9597 1.3009 1.3322 1.7029 1.7793 1.8444 1.9187 2.3319 2.3486 2.5968 2.6762 2.8253 2.8820 2.9538 3.0191 3.3764 3.5163 3.7586 3.8317 3.9952 4.0831 4.2056 4.2309 4.3544 4.3621 4.6206 4.6703 4.8703 4.8812 4.9586 4.9793 5.2535 5.2610 7.0564 7.0687 7.3649 7.3903 7.6960 7.7504 7.8452 7.9185 9.1252 9.1459 9.1983 9.2242 k = 0.3214 0.3214-0.0000 ( 3597 PWs) bands (ev): -8.8847 -8.8835 -8.3877 -8.3856 -8.2185 -8.2157 -7.7218 -7.7185 -7.4622 -7.4598 -7.3652 -7.3613 -7.3196 -7.3147 -7.0600 -7.0535 -3.3434 -3.3336 -2.4931 -2.4829 -2.4302 -2.4200 -1.9949 -1.9755 0.6111 0.6567 0.7700 0.7915 0.8225 0.8450 0.8982 0.9587 1.3236 1.3577 1.7099 1.7906 1.8563 1.9351 2.2844 2.3132 2.6000 2.6891 2.7942 2.8508 2.9290 2.9917 3.3385 3.4720 3.7005 3.7736 4.0124 4.0854 4.1798 4.2213 4.3329 4.3379 4.5792 4.6259 4.8413 4.8521 4.9305 4.9503 5.2538 5.2600 7.0792 7.0939 7.3786 7.4052 7.7301 7.7854 7.8797 7.9533 9.0989 9.1082 9.1685 9.1999 k = 0.3095 0.3095-0.0000 ( 3597 PWs) bands (ev): -8.9235 -8.9223 -8.3969 -8.3947 -8.2243 -8.2215 -7.6922 -7.6889 -7.4536 -7.4511 -7.3597 -7.3560 -7.3113 -7.3065 -7.0435 -7.0370 -3.3759 -3.3664 -2.4707 -2.4600 -2.4086 -2.3980 -1.9468 -1.9265 0.5987 0.6408 0.7831 0.8022 0.8388 0.8595 0.9096 0.9673 1.3359 1.3726 1.7183 1.8029 1.8687 1.9517 2.2372 2.2710 2.6150 2.7010 2.7686 2.8239 2.9068 2.9660 3.2949 3.4171 3.6497 3.7170 4.0283 4.0877 4.1531 4.2210 4.3080 4.3183 4.5429 4.5827 4.8143 4.8251 4.9035 4.9225 5.2549 5.2602 7.0964 7.1138 7.3886 7.4162 7.7566 7.8116 7.9098 7.9832 9.0347 9.0435 9.1184 9.1301 k = 0.2976 0.2976-0.0000 ( 3603 PWs) bands (ev): -8.9615 -8.9603 -8.4068 -8.4046 -8.2311 -8.2283 -7.6627 -7.6593 -7.4441 -7.4416 -7.3527 -7.3493 -7.3019 -7.2971 -7.0279 -7.0215 -3.4078 -3.3987 -2.4494 -2.4385 -2.3885 -2.3776 -1.8990 -1.8779 0.5841 0.6212 0.7981 0.8142 0.8576 0.8759 0.9303 0.9842 1.3362 1.3754 1.7285 1.8164 1.8815 1.9682 2.1925 2.2261 2.6393 2.7077 2.7521 2.8037 2.8877 2.9424 3.2466 3.3547 3.6044 3.6621 4.0272 4.0952 4.1279 4.2266 4.2795 4.3057 4.5164 4.5425 4.7897 4.8007 4.8780 4.8963 5.2567 5.2616 7.1079 7.1280 7.3946 7.4228 7.7748 7.8284 7.9351 8.0077 8.9644 8.9709 9.0488 9.0577 k = 0.2857 0.2857-0.0000 ( 3599 PWs) bands (ev): -8.9986 -8.9975 -8.4174 -8.4152 -8.2387 -8.2359 -7.6332 -7.6298 -7.4338 -7.4312 -7.3443 -7.3411 -7.2914 -7.2867 -7.0132 -7.0068 -3.4394 -3.4306 -2.4297 -2.4185 -2.3703 -2.3592 -1.8518 -1.8298 0.5686 0.6008 0.8147 0.8280 0.8783 0.8943 0.9578 1.0077 1.3243 1.3658 1.7409 1.8314 1.8944 1.9846 2.1508 2.1807 2.6696 2.7040 2.7462 2.7963 2.8729 2.9214 3.1956 3.2887 3.5622 3.6087 4.0090 4.0850 4.1182 4.2330 4.2545 4.2951 4.5000 4.5151 4.7678 4.7792 4.8542 4.8720 5.2593 5.2640 7.1139 7.1362 7.3964 7.4247 7.7845 7.8355 7.9552 8.0266 8.8915 8.8971 8.9750 8.9840 k = 0.2738 0.2738-0.0000 ( 3599 PWs) bands (ev): -9.0349 -9.0338 -8.4286 -8.4264 -8.2471 -8.2443 -7.6038 -7.6004 -7.4227 -7.4200 -7.3345 -7.3315 -7.2798 -7.2753 -6.9995 -6.9932 -3.4705 -3.4622 -2.4119 -2.4005 -2.3544 -2.3430 -1.8052 -1.7823 0.5537 0.5812 0.8329 0.8441 0.9003 0.9151 0.9905 1.0363 1.3012 1.3448 1.7550 1.8475 1.9073 2.0005 2.1118 2.1360 2.6825 2.7130 2.7433 2.8052 2.8653 2.9036 3.1438 3.2225 3.5213 3.5564 3.9827 4.0562 4.1092 4.2101 4.2657 4.2787 4.4768 4.5278 4.7486 4.7608 4.8324 4.8499 5.2627 5.2675 7.1141 7.1384 7.3935 7.4212 7.7850 7.8326 7.9699 8.0402 8.8175 8.8236 8.9009 8.9100 k = 0.2619 0.2619-0.0000 ( 3591 PWs) bands (ev): -9.0701 -9.0691 -8.4403 -8.4382 -8.2562 -8.2534 -7.5746 -7.5712 -7.4109 -7.4081 -7.3232 -7.3205 -7.2673 -7.2629 -6.9868 -6.9806 -3.5012 -3.4934 -2.3963 -2.3847 -2.3409 -2.3294 -1.7593 -1.7354 0.5403 0.5637 0.8522 0.8629 0.9233 0.9386 1.0269 1.0683 1.2693 1.3143 1.7708 1.8644 1.9200 2.0159 2.0749 2.0921 2.6732 2.7164 2.7699 2.8161 2.8700 2.8928 3.0936 3.1595 3.4800 3.5054 3.9524 4.0239 4.0875 4.1756 4.2519 4.2874 4.4699 4.5634 4.7323 4.7458 4.8126 4.8301 5.2669 5.2721 7.1090 7.1346 7.3856 7.4121 7.7769 7.8203 7.9795 8.0485 8.7440 8.7505 8.8278 8.8365 k = 0.2500 0.2500-0.0000 ( 3591 PWs) bands (ev): -9.1043 -9.1033 -8.4524 -8.4503 -8.2660 -8.2632 -7.5457 -7.5422 -7.3983 -7.3955 -7.3107 -7.3081 -7.2540 -7.2497 -6.9751 -6.9690 -3.5316 -3.5243 -2.3830 -2.3713 -2.3301 -2.3186 -1.7144 -1.6895 0.5290 0.5488 0.8724 0.8847 0.9472 0.9645 1.0656 1.1010 1.2327 1.2769 1.7878 1.8816 1.9320 2.0293 2.0401 2.0497 2.6638 2.7066 2.8039 2.8245 2.8729 2.9065 3.0491 3.1043 3.4369 3.4564 3.9200 3.9898 4.0579 4.1388 4.2229 4.2917 4.4915 4.6106 4.7187 4.7354 4.7951 4.8129 5.2717 5.2776 7.0983 7.1249 7.3726 7.3972 7.7603 7.7992 7.9842 8.0518 8.6712 8.6778 8.7562 8.7639 k = 0.2381 0.2381-0.0000 ( 3599 PWs) bands (ev): -9.1373 -9.1363 -8.4649 -8.4628 -8.2762 -8.2735 -7.5171 -7.5136 -7.3851 -7.3823 -7.2968 -7.2945 -7.2400 -7.2358 -6.9646 -6.9586 -3.5617 -3.5549 -2.3722 -2.3606 -2.3221 -2.3105 -1.6705 -1.6447 0.5204 0.5370 0.8933 0.9091 0.9718 0.9927 1.1053 1.1256 1.2019 1.2363 1.8053 1.8977 1.9420 2.0044 2.0072 2.0468 2.6563 2.6969 2.8099 2.8395 2.8788 2.9291 3.0199 3.0679 3.3903 3.4113 3.8863 3.9544 4.0242 4.1004 4.1942 4.2817 4.5368 4.6588 4.7077 4.7338 4.7803 4.7985 5.2772 5.2839 7.0820 7.1092 7.3543 7.3763 7.7358 7.7703 7.9845 8.0503 8.5990 8.6055 8.6852 8.6924 k = 0.2262 0.2262-0.0000 ( 3599 PWs) bands (ev): -9.1690 -9.1681 -8.4775 -8.4755 -8.2868 -8.2842 -7.4890 -7.4855 -7.3714 -7.3685 -7.2818 -7.2796 -7.2254 -7.2214 -6.9551 -6.9493 -3.5914 -3.5851 -2.3641 -2.3526 -2.3168 -2.3054 -1.6278 -1.6011 0.5148 0.5286 0.9141 0.9353 0.9965 1.0221 1.1158 1.1422 1.1964 1.2085 1.8229 1.9075 1.9427 1.9684 1.9837 2.0605 2.6506 2.6886 2.8100 2.8392 2.8807 2.9219 3.0297 3.0678 3.3410 3.3701 3.8519 3.9179 3.9886 4.0608 4.1693 4.2682 4.5938 4.6867 4.6992 4.7526 4.7744 4.7876 5.2835 5.2911 7.0602 7.0876 7.3308 7.3501 7.7050 7.7357 7.9811 8.0447 8.5276 8.5344 8.6146 8.6226 k = 0.2143 0.2143-0.0000 ( 3599 PWs) bands (ev): -9.1995 -9.1987 -8.4902 -8.4883 -8.2977 -8.2952 -7.4614 -7.4579 -7.3572 -7.3543 -7.2658 -7.2637 -7.2104 -7.2065 -6.9466 -6.9410 -3.6208 -3.6150 -2.3586 -2.3473 -2.3144 -2.3032 -1.5864 -1.5590 0.5124 0.5237 0.9320 0.9615 1.0186 1.0494 1.0875 1.1461 1.1984 1.2376 1.8388 1.8945 1.9167 1.9586 1.9840 2.0739 2.6457 2.6814 2.8110 2.8349 2.8645 2.8905 3.0704 3.0979 3.2913 3.3321 3.8173 3.8806 3.9522 4.0203 4.1509 4.2580 4.6541 4.6903 4.6945 4.7529 4.7791 4.8185 5.2903 5.2990 7.0326 7.0601 7.3023 7.3190 7.6691 7.6969 7.9743 8.0348 8.4568 8.4645 8.5438 8.5538 k = 0.2024 0.2024-0.0000 ( 3599 PWs) bands (ev): -9.2287 -9.2279 -8.5030 -8.5011 -8.3088 -8.3064 -7.4344 -7.4309 -7.3427 -7.3398 -7.2488 -7.2469 -7.1950 -7.1913 -6.9391 -6.9337 -3.6497 -3.6444 -2.3557 -2.3446 -2.3146 -2.3037 -1.5466 -1.5184 0.5132 0.5222 0.9380 0.9815 1.0338 1.0527 1.0924 1.1330 1.2337 1.2721 1.8426 1.8593 1.8927 1.9691 1.9951 2.0868 2.6404 2.6747 2.8115 2.8294 2.8477 2.8592 3.1152 3.1371 3.2430 3.2989 3.7830 3.8427 3.9158 3.9791 4.1419 4.2556 4.6855 4.6943 4.7086 4.7497 4.7796 4.8784 5.2981 5.3080 6.9993 7.0269 7.2690 7.2840 7.6301 7.6560 7.9643 8.0208 8.3868 8.3958 8.4728 8.4852 k = 0.1905 0.1905-0.0000 ( 3591 PWs) bands (ev): -9.2564 -9.2557 -8.5156 -8.5138 -8.3199 -8.3176 -7.4082 -7.4047 -7.3279 -7.3251 -7.2311 -7.2294 -7.1795 -7.1760 -6.9325 -6.9274 -3.6781 -3.6733 -2.3552 -2.3445 -2.3174 -2.3068 -1.5086 -1.4798 0.5174 0.5243 0.9210 0.9782 1.0482 1.0592 1.1194 1.1463 1.2699 1.3055 1.8132 1.8205 1.8977 1.9828 2.0098 2.0991 2.6325 2.6677 2.8031 2.8275 2.8350 2.8451 3.1472 3.1720 3.2019 3.2754 3.7491 3.8045 3.8797 3.9373 4.1450 4.2637 4.6824 4.6961 4.7265 4.7567 4.8088 4.9399 5.3068 5.3178 6.9604 6.9880 7.2312 7.2457 7.5896 7.6147 7.9509 8.0024 8.3179 8.3282 8.4018 8.4163 k = 0.1786 0.1786-0.0000 ( 3595 PWs) bands (ev): -9.2827 -9.2820 -8.5280 -8.5263 -8.3309 -8.3287 -7.3829 -7.3794 -7.3131 -7.3104 -7.2128 -7.2113 -7.1640 -7.1606 -6.9269 -6.9220 -3.7059 -3.7017 -2.3571 -2.3468 -2.3224 -2.3122 -1.4724 -1.4432 0.5248 0.5298 0.8887 0.9515 1.0712 1.0859 1.1495 1.1759 1.3031 1.3354 1.7693 1.7809 1.9154 1.9961 2.0268 2.1109 2.6205 2.6595 2.7918 2.8195 2.8379 2.8471 3.1398 3.1682 3.2121 3.2700 3.7158 3.7659 3.8439 3.8952 4.1625 4.2839 4.6803 4.6996 4.7252 4.7607 4.8637 5.0000 5.3166 5.3287 6.9162 6.9439 7.1896 7.2046 7.5494 7.5743 7.9338 7.9790 8.2508 8.2619 8.3305 8.3467 k = 0.1667 0.1667-0.0000 ( 3603 PWs) bands (ev): -9.3075 -9.3068 -8.5401 -8.5385 -8.3418 -8.3397 -7.3585 -7.3551 -7.2984 -7.2957 -7.1942 -7.1928 -7.1485 -7.1454 -6.9221 -6.9175 -3.7331 -3.7293 -2.3609 -2.3512 -2.3295 -2.3198 -1.4384 -1.4089 0.5353 0.5385 0.8531 0.9181 1.1009 1.1192 1.1821 1.2101 1.3317 1.3603 1.7240 1.7392 1.9360 2.0090 2.0451 2.1223 2.6039 2.6501 2.7870 2.8161 2.8480 2.8542 3.1046 3.1545 3.2347 3.2788 3.6833 3.7273 3.8086 3.8529 4.1953 4.3166 4.6794 4.7050 4.7230 4.7652 4.9215 5.0571 5.3280 5.3409 6.8676 6.8953 7.1450 7.1610 7.5110 7.5360 7.9123 7.9503 8.1860 8.1974 8.2594 8.2769 k = 0.1548 0.1548-0.0000 ( 3593 PWs) bands (ev): -9.3307 -9.3301 -8.5517 -8.5503 -8.3523 -8.3504 -7.3351 -7.3319 -7.2838 -7.2812 -7.1754 -7.1742 -7.1334 -7.1304 -6.9181 -6.9137 -3.7595 -3.7561 -2.3666 -2.3573 -2.3382 -2.3290 -1.4066 -1.3771 0.5489 0.5504 0.8193 0.8855 1.1338 1.1547 1.2159 1.2452 1.3545 1.3787 1.6787 1.6968 1.9582 2.0221 2.0641 2.1337 2.5839 2.6394 2.7898 2.8202 2.8591 2.8664 3.0724 3.1368 3.2491 3.2877 3.6518 3.6890 3.7736 3.8107 4.2430 4.3609 4.6797 4.7120 4.7230 4.7728 4.9770 5.1100 5.3414 5.3545 6.8154 6.8430 7.0985 7.1152 7.4753 7.5004 7.8859 7.9158 8.1242 8.1354 8.1886 8.2072 k = 0.1429 0.1429-0.0000 ( 3601 PWs) bands (ev): -9.3524 -9.3519 -8.5629 -8.5615 -8.3625 -8.3607 -7.3130 -7.3098 -7.2696 -7.2671 -7.1567 -7.1556 -7.1186 -7.1159 -6.9148 -6.9107 -3.7848 -3.7819 -2.3736 -2.3651 -2.3482 -2.3397 -1.3773 -1.3481 0.5650 0.5651 0.7893 0.8561 1.1683 1.1907 1.2497 1.2798 1.3703 1.3899 1.6344 1.6545 1.9813 2.0359 2.0830 2.1449 2.5620 2.6272 2.7989 2.8301 2.8716 2.8819 3.0482 3.1209 3.2554 3.2903 3.6208 3.6508 3.7387 3.7684 4.3028 4.4143 4.6810 4.7170 4.7288 4.7847 5.0288 5.1572 5.3572 5.3694 6.7607 6.7878 7.0509 7.0678 7.4428 7.4679 7.8535 7.8752 8.0650 8.0761 8.1179 8.1374 k = 0.1310 0.1310-0.0000 ( 3613 PWs) bands (ev): -9.3725 -9.3720 -8.5735 -8.5722 -8.3722 -8.3705 -7.2921 -7.2891 -7.2558 -7.2535 -7.1383 -7.1373 -7.1044 -7.1019 -6.9122 -6.9084 -3.8091 -3.8066 -2.3818 -2.3739 -2.3592 -2.3514 -1.3505 -1.3219 0.5823 0.5836 0.7642 0.8311 1.2030 1.2263 1.2823 1.3130 1.3782 1.3937 1.5923 1.6133 2.0051 2.0507 2.1014 2.1562 2.5396 2.6124 2.8128 2.8441 2.8864 2.8995 3.0345 3.1094 3.2551 3.2864 3.5903 3.6130 3.7039 3.7262 4.3709 4.4728 4.6833 4.7192 4.7422 4.8020 5.0763 5.1980 5.3762 5.3865 6.7045 6.7311 7.0029 7.0197 7.4135 7.4386 7.8150 7.8293 8.0084 8.0204 8.0476 8.0685 k = 0.1190 0.1190-0.0000 ( 3605 PWs) bands (ev): -9.3909 -9.3904 -8.5834 -8.5822 -8.3813 -8.3798 -7.2725 -7.2697 -7.2426 -7.2405 -7.1204 -7.1196 -7.0907 -7.0886 -6.9101 -6.9067 -3.8321 -3.8300 -2.3907 -2.3835 -2.3707 -2.3636 -1.3263 -1.2987 0.6017 0.6043 0.7447 0.8110 1.2371 1.2606 1.3119 1.3438 1.3774 1.3917 1.5537 1.5741 2.0293 2.0668 2.1191 2.1676 2.5171 2.5945 2.8306 2.8610 2.9039 2.9185 3.0323 3.1034 3.2500 3.2779 3.5600 3.5758 3.6691 3.6843 4.4427 4.5318 4.6866 4.7213 4.7615 4.8269 5.1199 5.2324 5.3978 5.4061 6.6481 6.6738 6.9558 6.9718 7.3871 7.4121 7.7703 7.7794 7.9526 7.9671 7.9783 8.0014 k = 0.1071 0.1071-0.0000 ( 3607 PWs) bands (ev): -9.4077 -9.4072 -8.5925 -8.5915 -8.3897 -8.3884 -7.2544 -7.2518 -7.2302 -7.2283 -7.1034 -7.1026 -7.0779 -7.0761 -6.9086 -6.9055 -3.8537 -3.8518 -2.4000 -2.3936 -2.3824 -2.3761 -1.3047 -1.2784 0.6228 0.6266 0.7309 0.7961 1.2684 1.2916 1.3333 1.3668 1.3723 1.3908 1.5200 1.5381 2.0530 2.0840 2.1357 2.1788 2.4950 2.5731 2.8516 2.8803 2.9241 2.9391 3.0407 3.1029 3.2417 3.2665 3.5292 3.5398 3.6341 3.6429 4.5117 4.5852 4.6906 4.7239 4.7880 4.8609 5.1596 5.2611 5.4197 5.4290 6.5925 6.6171 6.9101 6.9251 7.3628 7.3878 7.7198 7.7276 7.8926 7.9024 7.9226 7.9388 k = 0.0952 0.0952-0.0000 ( 3611 PWs) bands (ev): -9.4227 -9.4223 -8.6009 -8.5999 -8.3975 -8.3963 -7.2379 -7.2355 -7.2187 -7.2169 -7.0874 -7.0867 -7.0660 -7.0645 -6.9075 -6.9048 -3.8736 -3.8721 -2.4093 -2.4037 -2.3940 -2.3884 -1.2857 -1.2612 0.6453 0.6500 0.7230 0.7863 1.2913 1.3083 1.3426 1.3607 1.3891 1.4049 1.4924 1.5060 2.0757 2.1024 2.1508 2.1898 2.4738 2.5490 2.8753 2.9018 2.9466 2.9612 3.0575 3.1070 3.2320 3.2541 3.4966 3.5064 3.5979 3.6031 4.5722 4.6290 4.6953 4.7267 4.8241 4.9042 5.1971 5.2858 5.4408 5.4543 6.5388 6.5619 6.8667 6.8806 7.3402 7.3652 7.6657 7.6751 7.8244 7.8291 7.8770 7.8848 k = 0.0833 0.0833-0.0000 ( 3611 PWs) bands (ev): -9.4360 -9.4357 -8.6084 -8.6076 -8.4044 -8.4034 -7.2230 -7.2209 -7.2081 -7.2066 -7.0728 -7.0720 -7.0550 -7.0539 -6.9068 -6.9044 -3.8917 -3.8904 -2.4184 -2.4135 -2.4051 -2.4003 -1.2692 -1.2468 0.6683 0.6740 0.7206 0.7813 1.2870 1.2974 1.3602 1.3685 1.4051 1.4241 1.4722 1.4796 2.0965 2.1215 2.1641 2.2002 2.4538 2.5233 2.9011 2.9255 2.9706 2.9846 3.0802 3.1148 3.2221 3.2421 3.4624 3.4755 3.5589 3.5666 4.6199 4.6621 4.7005 4.7297 4.8705 4.9535 5.2344 5.3087 5.4611 5.4797 6.4877 6.5091 6.8265 6.8389 7.3183 7.3434 7.6113 7.6226 7.7528 7.7551 7.8346 7.8387 k = 0.0714 0.0714-0.0000 ( 3601 PWs) bands (ev): -9.4476 -9.4473 -8.6150 -8.6143 -8.4106 -8.4097 -7.2098 -7.2080 -7.1987 -7.1974 -7.0597 -7.0588 -7.0452 -7.0445 -6.9064 -6.9043 -3.9078 -3.9068 -2.4268 -2.4227 -2.4154 -2.4113 -1.2551 -1.2352 0.6913 0.6977 0.7236 0.7805 1.2582 1.2751 1.3803 1.3904 1.4120 1.4349 1.4619 1.4666 2.1153 2.1407 2.1756 2.2096 2.4357 2.4975 2.9284 2.9510 2.9953 3.0088 3.1067 3.1247 3.2133 3.2317 3.4284 3.4456 3.5195 3.5315 4.6548 4.6860 4.7063 4.7326 4.9236 5.0024 5.2735 5.3318 5.4805 5.5034 6.4405 6.4597 6.7902 6.8010 7.2968 7.3214 7.5589 7.5717 7.6843 7.6855 7.7957 7.7989 k = 0.0595 0.0595-0.0000 ( 3597 PWs) bands (ev): -9.4574 -9.4572 -8.6206 -8.6200 -8.4158 -8.4151 -7.1984 -7.1970 -7.1904 -7.1895 -7.0484 -7.0474 -7.0365 -7.0362 -6.9062 -6.9045 -3.9217 -3.9209 -2.4344 -2.4309 -2.4247 -2.4212 -1.2433 -1.2262 0.7132 0.7199 0.7318 0.7832 1.2253 1.2457 1.3945 1.3992 1.4178 1.4323 1.4677 1.4720 2.1320 2.1588 2.1852 2.2178 2.4199 2.4728 2.9566 2.9775 3.0191 3.0330 3.1342 3.1363 3.2066 3.2236 3.3963 3.4160 3.4811 3.4966 4.6798 4.7029 4.7125 4.7351 4.9768 5.0450 5.3155 5.3560 5.4981 5.5241 6.3978 6.4147 6.7583 6.7675 7.2751 7.2984 7.5107 7.5241 7.6226 7.6253 7.7609 7.7643 k = 0.0476 0.0476-0.0000 ( 3601 PWs) bands (ev): -9.4655 -9.4653 -8.6252 -8.6248 -8.4202 -8.4196 -7.1890 -7.1880 -7.1835 -7.1828 -7.0391 -7.0379 -7.0290 -7.0290 -6.9062 -6.9048 -3.9333 -3.9327 -2.4409 -2.4381 -2.4326 -2.4298 -1.2335 -1.2195 0.7323 0.7383 0.7462 0.7881 1.1936 1.2148 1.3859 1.3902 1.4367 1.4419 1.4784 1.4811 2.1467 2.1740 2.1932 2.2240 2.4072 2.4503 2.9844 3.0037 3.0406 3.0564 3.1454 3.1645 3.2034 3.2176 3.3675 3.3868 3.4444 3.4620 4.6981 4.7137 4.7197 4.7369 5.0243 5.0779 5.3593 5.3819 5.5141 5.5415 6.3607 6.3747 6.7315 6.7388 7.2539 7.2745 7.4686 7.4810 7.5728 7.5766 7.7314 7.7349 k = 0.0357 0.0357-0.0000 ( 3589 PWs) bands (ev): -9.4717 -9.4716 -8.6289 -8.6285 -8.4236 -8.4231 -7.1816 -7.1810 -7.1778 -7.1775 -7.0319 -7.0307 -7.0231 -7.0229 -6.9062 -6.9052 -3.9424 -3.9419 -2.4461 -2.4439 -2.4390 -2.4367 -1.2257 -1.2150 0.7477 0.7538 0.7636 0.7938 1.1660 1.1855 1.3725 1.3770 1.4547 1.4576 1.4868 1.4885 2.1595 2.1843 2.2017 2.2283 2.3982 2.4309 3.0101 3.0272 3.0594 3.0779 3.1548 3.1919 3.2054 3.2124 3.3449 3.3589 3.4102 3.4279 4.7115 4.7203 4.7270 4.7380 5.0625 5.1006 5.4001 5.4080 5.5286 5.5550 6.3303 6.3412 6.7103 6.7158 7.2346 7.2510 7.4337 7.4439 7.5366 7.5406 7.7080 7.7112 k = 0.0238 0.0238-0.0000 ( 3601 PWs) bands (ev): -9.4762 -9.4761 -8.6315 -8.6312 -8.4260 -8.4257 -7.1763 -7.1762 -7.1737 -7.1734 -7.0267 -7.0258 -7.0186 -7.0183 -6.9063 -6.9056 -3.9490 -3.9488 -2.4498 -2.4482 -2.4435 -2.4420 -1.2198 -1.2125 0.7606 0.7662 0.7786 0.7983 1.1452 1.1605 1.3616 1.3651 1.4698 1.4715 1.4914 1.4928 2.1702 2.1885 2.2111 2.2301 2.3929 2.4149 3.0312 3.0444 3.0775 3.0958 3.1626 3.2012 3.2086 3.2238 3.3319 3.3350 3.3794 3.3951 4.7210 4.7251 4.7321 4.7381 5.0901 5.1140 5.4310 5.4322 5.5419 5.5636 6.3078 6.3153 6.6951 6.6987 7.2192 7.2305 7.4075 7.4145 7.5127 7.5160 7.6910 7.6934 k = 0.0119 0.0119-0.0000 ( 3605 PWs) bands (ev): -9.4789 -9.4789 -8.6330 -8.6329 -8.4274 -8.4273 -7.1734 -7.1733 -7.1711 -7.1709 -7.0235 -7.0231 -7.0157 -7.0155 -6.9063 -6.9059 -3.9530 -3.9529 -2.4519 -2.4510 -2.4462 -2.4453 -1.2155 -1.2118 0.7703 0.7736 0.7901 0.8000 1.1335 1.1420 1.3550 1.3568 1.4811 1.4825 1.4919 1.4935 2.1787 2.1883 2.2195 2.2293 2.3919 2.4029 3.0455 3.0525 3.0956 3.1073 3.1688 3.1888 3.2220 3.2387 3.3221 3.3315 3.3525 3.3655 4.7271 4.7285 4.7349 4.7375 5.1081 5.1195 5.4480 5.4509 5.5539 5.5664 6.2944 6.2982 6.6861 6.6879 7.2100 7.2158 7.3915 7.3951 7.5000 7.5018 7.6809 7.6821 k = 0.0000 0.0000 0.0000 ( 3629 PWs) bands (ev): -9.4798 -9.4798 -8.6335 -8.6335 -8.4279 -8.4279 -7.1724 -7.1724 -7.1701 -7.1701 -7.0223 -7.0223 -7.0147 -7.0147 -6.9062 -6.9062 -3.9543 -3.9543 -2.4524 -2.4524 -2.4468 -2.4468 -1.2129 -1.2129 0.7750 0.7750 0.7973 0.7973 1.1325 1.1325 1.3533 1.3533 1.4882 1.4882 1.4902 1.4902 2.1847 2.1847 2.2257 2.2257 2.3952 2.3952 3.0525 3.0525 3.1076 3.1076 3.1766 3.1766 3.2356 3.2356 3.3304 3.3304 3.3432 3.3432 4.7295 4.7295 4.7363 4.7363 5.1174 5.1174 5.4554 5.4554 5.5627 5.5627 6.2909 6.2909 6.6835 6.6835 7.2086 7.2086 7.3871 7.3871 7.4965 7.4965 7.6775 7.6775 k = 0.0000 0.0000 0.0000 ( 3629 PWs) bands (ev): -9.4798 -9.4798 -8.6335 -8.6335 -8.4279 -8.4279 -7.1724 -7.1724 -7.1701 -7.1701 -7.0223 -7.0223 -7.0147 -7.0147 -6.9062 -6.9062 -3.9543 -3.9543 -2.4524 -2.4524 -2.4468 -2.4468 -1.2129 -1.2129 0.7750 0.7750 0.7973 0.7973 1.1325 1.1325 1.3533 1.3533 1.4882 1.4882 1.4902 1.4902 2.1847 2.1847 2.2257 2.2257 2.3952 2.3952 3.0525 3.0525 3.1076 3.1076 3.1766 3.1766 3.2356 3.2356 3.3304 3.3304 3.3432 3.3432 4.7295 4.7295 4.7363 4.7363 5.1174 5.1174 5.4554 5.4554 5.5627 5.5627 6.2909 6.2909 6.6835 6.6835 7.2086 7.2086 7.3871 7.3871 7.4965 7.4965 7.6775 7.6775 k = 0.0000 0.0000 0.0166 ( 3621 PWs) bands (ev): -9.4788 -9.4788 -8.6467 -8.6467 -8.4136 -8.4136 -7.1724 -7.1724 -7.1701 -7.1701 -7.0224 -7.0224 -7.0147 -7.0147 -6.9091 -6.9091 -3.9515 -3.9515 -2.5014 -2.5014 -2.3982 -2.3982 -1.2152 -1.2152 0.7763 0.7763 0.7985 0.7985 1.1354 1.1354 1.3543 1.3543 1.4860 1.4860 1.4882 1.4882 2.1553 2.1553 2.2501 2.2501 2.3970 2.3970 3.0533 3.0533 3.1082 3.1082 3.1746 3.1746 3.2381 3.2381 3.3304 3.3304 3.3455 3.3455 4.7261 4.7261 4.7393 4.7393 5.1153 5.1153 5.4537 5.4537 5.5549 5.5549 6.2956 6.2956 6.6851 6.6851 7.2093 7.2093 7.3918 7.3918 7.4995 7.4995 7.6821 7.6821 k = 0.0000 0.0000 0.0332 ( 3609 PWs) bands (ev): -9.4759 -9.4759 -8.6788 -8.6788 -8.3782 -8.3782 -7.1723 -7.1723 -7.1699 -7.1699 -7.0224 -7.0224 -7.0148 -7.0148 -6.9179 -6.9179 -3.9429 -3.9429 -2.5536 -2.5536 -2.3473 -2.3473 -1.2222 -1.2222 0.7800 0.7800 0.8019 0.8019 1.1440 1.1440 1.3574 1.3574 1.4795 1.4795 1.4822 1.4822 2.1087 2.1087 2.2811 2.2811 2.4032 2.4032 3.0556 3.0556 3.1100 3.1100 3.1688 3.1688 3.2453 3.2453 3.3306 3.3306 3.3524 3.3524 4.7206 4.7206 4.7440 4.7440 5.1087 5.1087 5.4482 5.4482 5.5320 5.5320 6.3095 6.3095 6.6906 6.6906 7.2110 7.2110 7.4059 7.4059 7.5094 7.5094 7.6963 7.6963 k = 0.0000 0.0000 0.0499 ( 3593 PWs) bands (ev): -9.4710 -9.4710 -8.7195 -8.7195 -8.3320 -8.3320 -7.1722 -7.1722 -7.1697 -7.1697 -7.0226 -7.0226 -7.0150 -7.0150 -6.9323 -6.9323 -3.9287 -3.9287 -2.6062 -2.6062 -2.2969 -2.2969 -1.2338 -1.2338 0.7861 0.7861 0.8076 0.8076 1.1579 1.1579 1.3628 1.3628 1.4690 1.4690 1.4724 1.4724 2.0589 2.0589 2.3049 2.3049 2.4132 2.4132 3.0594 3.0594 3.1125 3.1125 3.1600 3.1600 3.2566 3.2566 3.3317 3.3317 3.3637 3.3637 4.7147 4.7147 4.7487 4.7487 5.0973 5.0973 5.4389 5.4389 5.4960 5.4960 6.3311 6.3311 6.7000 6.7000 7.2126 7.2126 7.4286 7.4286 7.5259 7.5259 7.7192 7.7192 k = 0.0000 0.0000 0.0665 ( 3593 PWs) bands (ev): -9.4642 -9.4642 -8.7635 -8.7635 -8.2805 -8.2805 -7.1720 -7.1720 -7.1694 -7.1694 -7.0228 -7.0228 -7.0153 -7.0153 -6.9521 -6.9521 -3.9091 -3.9091 -2.6594 -2.6594 -2.2469 -2.2469 -1.2497 -1.2497 0.7946 0.7946 0.8155 0.8155 1.1766 1.1766 1.3710 1.3710 1.4548 1.4548 1.4587 1.4587 2.0077 2.0077 2.3197 2.3197 2.4261 2.4261 3.0644 3.0644 3.1141 3.1141 3.1500 3.1500 3.2713 3.2713 3.3336 3.3336 3.3809 3.3809 4.7091 4.7091 4.7531 4.7531 5.0807 5.0807 5.4257 5.4257 5.4500 5.4500 6.3590 6.3590 6.7140 6.7140 7.2132 7.2132 7.4582 7.4582 7.5488 7.5488 7.7507 7.7507 k = 0.0000 0.0000 0.0831 ( 3601 PWs) bands (ev): -9.4555 -9.4555 -8.8086 -8.8086 -8.2260 -8.2260 -7.1719 -7.1719 -7.1691 -7.1691 -7.0232 -7.0232 -7.0157 -7.0157 -6.9770 -6.9770 -3.8846 -3.8846 -2.7130 -2.7130 -2.1974 -2.1974 -1.2697 -1.2697 0.8053 0.8053 0.8256 0.8256 1.1992 1.1992 1.3824 1.3824 1.4371 1.4371 1.4416 1.4416 1.9562 1.9562 2.3249 2.3249 2.4408 2.4408 3.0701 3.0701 3.1107 3.1107 3.1433 3.1433 3.2873 3.2873 3.3361 3.3361 3.4060 3.4060 4.7039 4.7039 4.7574 4.7574 5.0583 5.0583 5.3942 5.3942 5.4120 5.4120 6.3916 6.3916 6.7330 6.7330 7.2124 7.2124 7.4928 7.4928 7.5776 7.5776 7.7903 7.7903 k = 0.0000 0.0000 0.0997 ( 3605 PWs) bands (ev): -9.4448 -9.4448 -8.8535 -8.8535 -8.1697 -8.1697 -7.1717 -7.1717 -7.1688 -7.1688 -7.0241 -7.0241 -7.0161 -7.0161 -7.0061 -7.0061 -3.8556 -3.8556 -2.7670 -2.7670 -2.1482 -2.1482 -1.2934 -1.2934 0.8182 0.8182 0.8377 0.8377 1.2244 1.2244 1.3978 1.3978 1.4167 1.4167 1.4217 1.4217 1.9055 1.9055 2.3202 2.3202 2.4569 2.4569 3.0738 3.0738 3.1008 3.1008 3.1440 3.1440 3.3028 3.3028 3.3390 3.3390 3.4412 3.4412 4.6999 4.6999 4.7616 4.7616 5.0288 5.0288 5.3379 5.3379 5.3919 5.3919 6.4275 6.4275 6.7571 6.7571 7.2101 7.2101 7.5297 7.5297 7.6119 7.6119 7.8383 7.8383 k = 0.0000 0.0000 0.1164 ( 3613 PWs) bands (ev): -9.4323 -9.4323 -8.8976 -8.8976 -8.1123 -8.1123 -7.1715 -7.1715 -7.1684 -7.1684 -7.0420 -7.0420 -7.0225 -7.0225 -7.0165 -7.0165 -3.8225 -3.8225 -2.8212 -2.8212 -2.0994 -2.0994 -1.3205 -1.3205 0.8331 0.8331 0.8516 0.8516 1.2507 1.2507 1.3940 1.3940 1.3989 1.3989 1.4188 1.4188 1.8560 1.8560 2.3055 2.3055 2.4748 2.4748 3.0652 3.0652 3.0976 3.0976 3.1492 3.1492 3.3162 3.3162 3.3422 3.3422 3.4876 3.4876 4.6972 4.6972 4.7653 4.7653 4.9911 4.9911 5.2813 5.2813 5.3693 5.3693 6.4655 6.4655 6.7859 6.7859 7.2068 7.2068 7.5669 7.5669 7.6506 7.6506 7.8938 7.8938 k = 0.0000 0.0000 0.1330 ( 3601 PWs) bands (ev): -9.4178 -9.4178 -8.9408 -8.9408 -8.0543 -8.0543 -7.1712 -7.1712 -7.1679 -7.1679 -7.0790 -7.0790 -7.0234 -7.0234 -7.0170 -7.0170 -3.7857 -3.7857 -2.8755 -2.8755 -2.0510 -2.0510 -1.3506 -1.3506 0.8499 0.8499 0.8673 0.8673 1.2763 1.2763 1.3699 1.3699 1.3746 1.3746 1.4453 1.4453 1.8085 1.8085 2.2810 2.2810 2.4949 2.4949 3.0434 3.0434 3.1043 3.1043 3.1559 3.1559 3.3271 3.3271 3.3456 3.3456 3.5444 3.5444 4.6960 4.6960 4.7670 4.7670 4.9457 4.9457 5.2293 5.2293 5.3447 5.3447 6.5044 6.5044 6.8186 6.8186 7.2028 7.2028 7.6026 7.6026 7.6929 7.6929 7.9566 7.9566 k = 0.0000 0.0000 0.1496 ( 3613 PWs) bands (ev): -9.4014 -9.4014 -8.9828 -8.9828 -7.9962 -7.9962 -7.1710 -7.1710 -7.1676 -7.1676 -7.1196 -7.1196 -7.0238 -7.0238 -7.0174 -7.0174 -3.7459 -3.7459 -2.9298 -2.9298 -2.0030 -2.0030 -1.3834 -1.3834 0.8682 0.8682 0.8844 0.8844 1.2987 1.2987 1.3457 1.3457 1.3497 1.3497 1.4781 1.4781 1.7634 1.7634 2.2475 2.2475 2.5171 2.5171 3.0168 3.0168 3.1139 3.1139 3.1629 3.1629 3.3352 3.3352 3.3490 3.3490 3.6102 3.6102 4.6953 4.6953 4.7625 4.7625 4.8966 4.8966 5.1844 5.1844 5.3180 5.3180 6.5428 6.5428 6.8536 6.8536 7.1986 7.1986 7.6345 7.6345 7.7382 7.7382 8.0246 8.0246 k = 0.0000 0.0000 0.1662 ( 3613 PWs) bands (ev): -9.3831 -9.3831 -9.0234 -9.0234 -7.9386 -7.9386 -7.1713 -7.1713 -7.1675 -7.1675 -7.1617 -7.1617 -7.0241 -7.0241 -7.0179 -7.0179 -3.7039 -3.7039 -2.9836 -2.9836 -1.9556 -1.9556 -1.4184 -1.4184 0.8878 0.8878 0.9028 0.9028 1.3039 1.3039 1.3209 1.3209 1.3399 1.3399 1.5160 1.5160 1.7221 1.7221 2.2066 2.2066 2.5412 2.5412 2.9879 2.9879 3.1242 3.1242 3.1696 3.1696 3.3407 3.3407 3.3527 3.3527 3.6835 3.6835 4.6902 4.6902 4.7437 4.7437 4.8580 4.8580 5.1479 5.1479 5.2899 5.2899 6.5798 6.5798 6.8890 6.8890 7.1953 7.1953 7.6604 7.6604 7.7867 7.7867 8.0977 8.0977 k = 0.0000 0.0000 0.1829 ( 3609 PWs) bands (ev): -9.3629 -9.3629 -9.0626 -9.0626 -7.8822 -7.8822 -7.2075 -7.2075 -7.1702 -7.1702 -7.1667 -7.1667 -7.0244 -7.0244 -7.0183 -7.0183 -3.6603 -3.6603 -3.0364 -3.0364 -1.9087 -1.9087 -1.4553 -1.4553 0.9083 0.9083 0.9218 0.9218 1.2833 1.2833 1.2944 1.2944 1.3567 1.3567 1.5546 1.5546 1.6882 1.6882 2.1596 2.1596 2.5666 2.5666 2.9579 2.9579 3.1347 3.1347 3.1755 3.1755 3.3441 3.3441 3.3564 3.3564 3.7630 3.7630 4.6549 4.6549 4.7268 4.7268 4.8412 4.8412 5.1196 5.1196 5.2611 5.2611 6.6144 6.6144 6.9225 6.9225 7.1938 7.1938 7.6789 7.6789 7.8388 7.8388 8.1746 8.1746 k = 0.0000 0.0000 0.1995 ( 3593 PWs) bands (ev): -9.3409 -9.3409 -9.1003 -9.1003 -7.8280 -7.8280 -7.2522 -7.2522 -7.1701 -7.1701 -7.1664 -7.1664 -7.0246 -7.0246 -7.0187 -7.0187 -3.6165 -3.6165 -3.0875 -3.0875 -1.8626 -1.8626 -1.4935 -1.4935 0.9289 0.9289 0.9406 0.9406 1.2588 1.2588 1.2686 1.2686 1.3786 1.3786 1.5786 1.5786 1.6759 1.6759 2.1078 2.1078 2.5926 2.5926 2.9278 2.9278 3.1449 3.1449 3.1801 3.1801 3.3462 3.3462 3.3596 3.3596 3.8475 3.8475 4.5829 4.5829 4.7286 4.7286 4.8369 4.8369 5.0996 5.0996 5.2324 5.2324 6.6455 6.6455 6.9514 6.9514 7.1952 7.1952 7.6899 7.6899 7.8939 7.8939 8.2535 8.2535 k = 0.0000 0.0000 0.2161 ( 3593 PWs) bands (ev): -9.3170 -9.3170 -9.1364 -9.1364 -7.7778 -7.7778 -7.2951 -7.2951 -7.1699 -7.1699 -7.1661 -7.1661 -7.0248 -7.0248 -7.0190 -7.0190 -3.5741 -3.5741 -3.1352 -3.1352 -1.8178 -1.8178 -1.5325 -1.5325 0.9486 0.9486 0.9583 0.9583 1.2355 1.2355 1.2449 1.2449 1.4020 1.4020 1.5681 1.5681 1.7039 1.7039 2.0525 2.0525 2.6180 2.6180 2.8990 2.8990 3.1543 3.1543 3.1832 3.1832 3.3474 3.3474 3.3619 3.3619 3.9359 3.9359 4.4968 4.4968 4.7362 4.7362 4.8351 4.8351 5.0878 5.0878 5.2048 5.2048 6.6718 6.6718 6.9732 6.9732 7.2000 7.2000 7.6944 7.6944 7.9510 7.9510 8.3265 8.3265 k = 0.0000 0.0000 0.2327 ( 3593 PWs) bands (ev): -9.2913 -9.2913 -9.1708 -9.1708 -7.7347 -7.7347 -7.3332 -7.3332 -7.1698 -7.1698 -7.1659 -7.1659 -7.0249 -7.0249 -7.0192 -7.0192 -3.5362 -3.5362 -3.1768 -3.1768 -1.7752 -1.7752 -1.5710 -1.5710 0.9658 0.9658 0.9731 0.9731 1.2161 1.2161 1.2251 1.2251 1.4266 1.4266 1.5411 1.5411 1.7530 1.7530 1.9952 1.9952 2.6409 2.6409 2.8736 2.8736 3.1624 3.1624 3.1845 3.1845 3.3481 3.3481 3.3634 3.3634 4.0273 4.0273 4.4051 4.4051 4.7450 4.7450 4.8326 4.8326 5.0838 5.0838 5.1802 5.1802 6.6920 6.6920 6.9873 6.9873 7.2069 7.2069 7.6948 7.6948 8.0078 8.0078 8.3373 8.3373 k = 0.0000 0.0000 0.2494 ( 3581 PWs) bands (ev): -9.2638 -9.2638 -9.2035 -9.2035 -7.7040 -7.7040 -7.3610 -7.3610 -7.1697 -7.1697 -7.1658 -7.1658 -7.0250 -7.0250 -7.0193 -7.0193 -3.5081 -3.5081 -3.2070 -3.2070 -1.7385 -1.7385 -1.6053 -1.6053 0.9785 0.9785 0.9829 0.9829 1.2028 1.2028 1.2115 1.2115 1.4523 1.4523 1.5118 1.5118 1.8071 1.8071 1.9382 1.9382 2.6578 2.6578 2.8551 2.8551 3.1685 3.1685 3.1844 3.1844 3.3485 3.3485 3.3641 3.3641 4.1209 4.1209 4.3109 4.3109 4.7524 4.7524 4.8296 4.8296 5.0853 5.0853 5.1615 5.1615 6.7048 6.7048 6.9948 6.9948 7.2131 7.2131 7.6935 7.6935 8.0574 8.0574 8.2907 8.2907 k = 0.0000 0.0000 0.2660 ( 3580 PWs) bands (ev): -9.2350 -9.2350 -9.2341 -9.2341 -7.6925 -7.6925 -7.3715 -7.3715 -7.1697 -7.1697 -7.1658 -7.1658 -7.0250 -7.0250 -7.0194 -7.0194 -3.4973 -3.4973 -3.2185 -3.2185 -1.7207 -1.7207 -1.6223 -1.6223 0.9837 0.9837 0.9859 0.9859 1.1980 1.1980 1.2066 1.2066 1.4733 1.4733 1.4894 1.4894 1.8453 1.8453 1.8992 1.8992 2.6643 2.6643 2.8481 2.8481 3.1709 3.1709 3.1839 3.1839 3.3486 3.3486 3.3644 3.3644 4.2157 4.2157 4.2157 4.2157 4.7553 4.7553 4.8281 4.8281 5.0871 5.0871 5.1540 5.1540 6.7092 6.7092 6.9970 6.9970 7.2156 7.2156 7.6928 7.6928 8.0805 8.0805 8.2667 8.2667 k = 0.0000 0.0000 0.2660 ( 3580 PWs) bands (ev): -9.2350 -9.2350 -9.2341 -9.2341 -7.6925 -7.6925 -7.3715 -7.3715 -7.1697 -7.1697 -7.1658 -7.1658 -7.0250 -7.0250 -7.0194 -7.0194 -3.4973 -3.4973 -3.2185 -3.2185 -1.7207 -1.7207 -1.6223 -1.6223 0.9837 0.9837 0.9859 0.9859 1.1980 1.1980 1.2066 1.2066 1.4733 1.4733 1.4894 1.4894 1.8453 1.8453 1.8992 1.8992 2.6643 2.6643 2.8481 2.8481 3.1709 3.1709 3.1839 3.1839 3.3486 3.3486 3.3644 3.3644 4.2157 4.2157 4.2157 4.2157 4.7553 4.7553 4.8281 4.8281 5.0871 5.0871 5.1540 5.1540 6.7092 6.7092 6.9970 6.9970 7.2156 7.2156 7.6928 7.6928 8.0805 8.0805 8.2667 8.2667 k = 0.0000 0.0167 0.2660 ( 3580 PWs) bands (ev): -9.2342 -9.2342 -9.2333 -9.2333 -7.6928 -7.6926 -7.3721 -7.3716 -7.1704 -7.1701 -7.1665 -7.1660 -7.0259 -7.0257 -7.0202 -7.0199 -3.4964 -3.4962 -3.2178 -3.2176 -1.7212 -1.7193 -1.6228 -1.6209 0.9737 0.9830 0.9851 0.9862 1.1847 1.1998 1.2031 1.2068 1.4723 1.4835 1.4851 1.5043 1.8463 1.8488 1.9001 1.9025 2.6568 2.6710 2.8391 2.8533 3.1644 3.1749 3.1823 3.1835 3.3430 3.3530 3.3621 3.3658 4.2015 4.2053 4.2133 4.2146 4.7456 4.7737 4.8203 4.8439 5.0805 5.0971 5.1501 5.1614 6.7061 6.7167 6.9971 7.0052 7.2134 7.2212 7.6887 7.6964 8.0821 8.0842 8.2685 8.2719 k = 0.0000 0.0333 0.2660 ( 3584 PWs) bands (ev): -9.2319 -9.2318 -9.2309 -9.2308 -7.6935 -7.6933 -7.3733 -7.3724 -7.1728 -7.1724 -7.1679 -7.1665 -7.0289 -7.0286 -7.0220 -7.0212 -3.4936 -3.4932 -3.2156 -3.2151 -1.7206 -1.7168 -1.6224 -1.6188 0.9547 0.9779 0.9794 0.9833 1.1618 1.1943 1.1971 1.1993 1.4809 1.4909 1.5017 1.5281 1.8514 1.8566 1.9052 1.9099 2.6484 2.6765 2.8269 2.8544 3.1555 3.1724 3.1782 3.1841 3.3371 3.3526 3.3630 3.3657 4.1734 4.1833 4.1983 4.2002 4.7427 4.7958 4.8229 4.8659 5.0774 5.1099 5.1511 5.1721 6.7076 6.7284 7.0053 7.0215 7.2147 7.2301 7.6842 7.6994 8.0890 8.0932 8.2770 8.2840 k = 0.0000 0.0500 0.2660 ( 3584 PWs) bands (ev): -9.2282 -9.2280 -9.2267 -9.2265 -7.6948 -7.6945 -7.3753 -7.3740 -7.1775 -7.1768 -7.1690 -7.1670 -7.0345 -7.0343 -7.0238 -7.0223 -3.4888 -3.4882 -3.2119 -3.2112 -1.7191 -1.7133 -1.6212 -1.6159 0.9290 0.9612 0.9739 0.9798 1.1333 1.1764 1.1868 1.1929 1.4968 1.5050 1.5269 1.5580 1.8601 1.8682 1.9144 1.9214 2.6396 2.6810 2.8123 2.8520 3.1434 3.1633 3.1698 3.1858 3.3308 3.3479 3.3643 3.3673 4.1350 4.1522 4.1737 4.1764 4.7421 4.8072 4.8435 4.8906 5.0787 5.1238 5.1608 5.1871 6.7134 6.7441 7.0213 7.0455 7.2194 7.2420 7.6799 7.7022 8.1008 8.1073 8.2922 8.3031 k = 0.0000 0.0667 0.2660 ( 3580 PWs) bands (ev): -9.2229 -9.2227 -9.2209 -9.2206 -7.6966 -7.6963 -7.3781 -7.3765 -7.1842 -7.1833 -7.1702 -7.1676 -7.0427 -7.0425 -7.0255 -7.0235 -3.4823 -3.4815 -3.2067 -3.2058 -1.7164 -1.7089 -1.6192 -1.6121 0.8984 0.9374 0.9670 0.9748 1.1017 1.1490 1.1766 1.1848 1.5172 1.5248 1.5577 1.5919 1.8714 1.8826 1.9273 1.9366 2.6307 2.6846 2.7964 2.8464 3.1277 3.1495 3.1569 3.1845 3.3242 3.3421 3.3622 3.3718 4.0904 4.1154 4.1432 4.1469 4.7402 4.8100 4.8710 4.9124 5.0868 5.1388 5.1814 5.2070 6.7234 6.7635 7.0449 7.0770 7.2275 7.2566 7.6763 7.7053 8.1176 8.1265 8.3139 8.3291 k = 0.0000 0.0833 0.2660 ( 3584 PWs) bands (ev): -9.2162 -9.2159 -9.2133 -9.2130 -7.6992 -7.6988 -7.3820 -7.3801 -7.1929 -7.1916 -7.1715 -7.1686 -7.0528 -7.0526 -7.0272 -7.0246 -3.4740 -3.4730 -3.2003 -3.1992 -1.7127 -1.7034 -1.6164 -1.6077 0.8644 0.9084 0.9588 0.9685 1.0684 1.1169 1.1651 1.1751 1.5405 1.5479 1.5926 1.6280 1.8845 1.8988 1.9436 1.9549 2.6220 2.6873 2.7800 2.8387 3.1080 3.1310 3.1395 3.1782 3.3175 3.3357 3.3594 3.3752 4.0431 4.0762 4.1090 4.1167 4.7347 4.8086 4.8922 4.9253 5.1048 5.1587 5.2097 5.2316 6.7373 6.7860 7.0752 7.1150 7.2386 7.2732 7.6741 7.7092 8.1389 8.1503 8.3414 8.3618 k = 0.0000 0.1000 0.2660 ( 3588 PWs) bands (ev): -9.2080 -9.2077 -9.2042 -9.2038 -7.7026 -7.7022 -7.3870 -7.3850 -7.2031 -7.2015 -7.1733 -7.1703 -7.0643 -7.0639 -7.0290 -7.0257 -3.4641 -3.4630 -3.1927 -3.1914 -1.7080 -1.6970 -1.6127 -1.6024 0.8285 0.8758 0.9493 0.9613 1.0347 1.0820 1.1528 1.1642 1.5657 1.5726 1.6302 1.6653 1.8984 1.9156 1.9627 1.9758 2.6139 2.6891 2.7641 2.8295 3.0848 3.1082 3.1176 3.1658 3.3104 3.3277 3.3558 3.3770 3.9964 4.0377 4.0739 4.0886 4.7254 4.8034 4.9030 4.9265 5.1337 5.1856 5.2421 5.2601 6.7549 6.8113 7.1116 7.1589 7.2526 7.2918 7.6741 7.7148 8.1648 8.1789 8.3744 8.4015 k = 0.0000 0.1167 0.2660 ( 3590 PWs) bands (ev): -9.1984 -9.1981 -9.1933 -9.1929 -7.7071 -7.7067 -7.3935 -7.3914 -7.2147 -7.2127 -7.1757 -7.1729 -7.0764 -7.0758 -7.0306 -7.0269 -3.4529 -3.4516 -3.1843 -3.1827 -1.7021 -1.6897 -1.6082 -1.5965 0.7917 0.8410 0.9383 0.9532 1.0017 1.0457 1.1398 1.1524 1.5918 1.5979 1.6692 1.7031 1.9123 1.9321 1.9839 1.9986 2.6064 2.6897 2.7498 2.8197 3.0585 3.0819 3.0921 3.1477 3.3016 3.3169 3.3508 3.3761 3.9527 4.0023 4.0405 4.0645 4.7130 4.7947 4.9032 4.9182 5.1701 5.2182 5.2758 5.2912 6.7758 6.8387 7.1530 7.2073 7.2695 7.3120 7.6770 7.7229 8.1945 8.2115 8.4104 8.4472 k = 0.0000 0.1333 0.2660 ( 3586 PWs) bands (ev): -9.1875 -9.1870 -9.1809 -9.1804 -7.7127 -7.7124 -7.4017 -7.3996 -7.2274 -7.2251 -7.1790 -7.1768 -7.0884 -7.0871 -7.0323 -7.0280 -3.4404 -3.4390 -3.1750 -3.1733 -1.6951 -1.6813 -1.6028 -1.5898 0.7548 0.8053 0.9240 0.9440 0.9723 1.0093 1.1264 1.1399 1.6182 1.6231 1.7088 1.7406 1.9254 1.9476 2.0063 2.0226 2.5997 2.6882 2.7383 2.8098 3.0299 3.0535 3.0639 3.1251 3.2895 3.3021 3.3438 3.3718 3.9142 3.9718 4.0108 4.0453 4.6983 4.7832 4.8945 4.9040 5.2089 5.2527 5.3086 5.3229 6.7996 6.8680 7.1981 7.2583 7.2897 7.3345 7.6833 7.7342 8.2281 8.2480 8.4457 8.4984 k = 0.0000 0.1500 0.2660 ( 3590 PWs) bands (ev): -9.1752 -9.1747 -9.1669 -9.1663 -7.7200 -7.7197 -7.4119 -7.4099 -7.2409 -7.2383 -7.1836 -7.1825 -7.0993 -7.0972 -7.0339 -7.0290 -3.4270 -3.4254 -3.1653 -3.1633 -1.6871 -1.6720 -1.5967 -1.5825 0.7185 0.7694 0.9027 0.9325 0.9503 0.9748 1.1128 1.1269 1.6442 1.6476 1.7483 1.7774 1.9369 1.9614 2.0286 2.0465 2.5934 2.6832 2.7308 2.8002 2.9998 3.0240 3.0344 3.0994 3.2735 3.2832 3.3338 3.3633 3.8824 3.9472 3.9861 4.0312 4.6821 4.7697 4.8782 4.8871 5.2463 5.2859 5.3388 5.3536 6.8262 6.8989 7.2452 7.3048 7.3180 7.3618 7.6936 7.7490 8.2654 8.2879 8.4745 8.5268 k = 0.0000 0.1667 0.2660 ( 3598 PWs) bands (ev): -9.1616 -9.1611 -9.1513 -9.1507 -7.7289 -7.7289 -7.4244 -7.4225 -7.2551 -7.2522 -7.1898 -7.1894 -7.1082 -7.1051 -7.0353 -7.0301 -3.4127 -3.4110 -3.1552 -3.1529 -1.6780 -1.6619 -1.5899 -1.5746 0.6833 0.7341 0.8742 0.9152 0.9336 0.9497 1.0991 1.1136 1.6693 1.6710 1.7873 1.8130 1.9463 1.9731 2.0501 2.0699 2.5873 2.6741 2.7270 2.7913 2.9696 2.9946 3.0050 3.0719 3.2540 3.2608 3.3204 3.3504 3.8581 3.9287 3.9671 4.0221 4.6654 4.7553 4.8569 4.8685 5.2799 5.3150 5.3652 5.3819 6.8553 6.9310 7.2910 7.3380 7.3571 7.4014 7.7079 7.7677 8.3063 8.3309 8.4950 8.5430 k = 0.0000 0.1833 0.2660 ( 3602 PWs) bands (ev): -9.1468 -9.1463 -9.1342 -9.1336 -7.7401 -7.7400 -7.4393 -7.4375 -7.2697 -7.2667 -7.1982 -7.1963 -7.1148 -7.1106 -7.0368 -7.0310 -3.3978 -3.3961 -3.1449 -3.1425 -1.6679 -1.6508 -1.5822 -1.5661 0.6495 0.6998 0.8426 0.8859 0.9215 0.9377 1.0854 1.1001 1.6928 1.6931 1.8253 1.8470 1.9531 1.9825 2.0698 2.0916 2.5807 2.6615 2.7247 2.7831 2.9408 2.9663 2.9771 3.0435 3.2321 3.2365 3.3037 3.3337 3.8411 3.9161 3.9539 4.0173 4.6487 4.7403 4.8332 4.8478 5.3076 5.3382 5.3870 5.4063 6.8870 6.9645 7.3308 7.3736 7.3933 7.4549 7.7265 7.7902 8.3506 8.3764 8.5130 8.5643 k = 0.0000 0.2000 0.2660 ( 3596 PWs) bands (ev): -9.1309 -9.1303 -9.1157 -9.1150 -7.7538 -7.7534 -7.4568 -7.4551 -7.2845 -7.2814 -7.2071 -7.2036 -7.1191 -7.1141 -7.0382 -7.0320 -3.3825 -3.3806 -3.1347 -3.1320 -1.6567 -1.6389 -1.5739 -1.5570 0.6176 0.6670 0.8102 0.8518 0.9133 0.9307 1.0721 1.0867 1.7129 1.7149 1.8618 1.8787 1.9572 1.9899 2.0871 2.1108 2.5726 2.6459 2.7217 2.7750 2.9155 2.9399 2.9519 3.0150 3.2092 3.2136 3.2848 3.3147 3.8304 3.9086 3.9460 4.0164 4.6324 4.7254 4.8082 4.8255 5.3282 5.3540 5.4035 5.4257 6.9212 6.9993 7.3654 7.4071 7.4382 7.5141 7.7492 7.8163 8.3978 8.4238 8.5339 8.5912 k = 0.0000 0.2167 0.2660 ( 3588 PWs) bands (ev): -9.1139 -9.1132 -9.0958 -9.0950 -7.7700 -7.7694 -7.4767 -7.4751 -7.2992 -7.2960 -7.2154 -7.2108 -7.1214 -7.1159 -7.0395 -7.0330 -3.3669 -3.3650 -3.1246 -3.1218 -1.6446 -1.6263 -1.5649 -1.5476 0.5876 0.6359 0.7782 0.8173 0.9072 0.9258 1.0590 1.0733 1.7304 1.7344 1.8954 1.9070 1.9594 1.9962 2.1011 2.1267 2.5622 2.6272 2.7159 2.7648 2.8953 2.9164 2.9305 2.9866 3.1879 3.1946 3.2652 3.2955 3.8245 3.9050 3.9429 4.0185 4.6167 4.7107 4.7826 4.8020 5.3410 5.3617 5.4141 5.4394 6.9579 7.0355 7.3993 7.4381 7.4909 7.5746 7.7758 7.8457 8.4467 8.4718 8.5611 8.6249 k = 0.0000 0.2333 0.2660 ( 3586 PWs) bands (ev): -9.0959 -9.0952 -9.0745 -9.0737 -7.7889 -7.7880 -7.4991 -7.4976 -7.3134 -7.3099 -7.2228 -7.2174 -7.1223 -7.1165 -7.0409 -7.0340 -3.3514 -3.3495 -3.1151 -3.1120 -1.6317 -1.6130 -1.5554 -1.5377 0.5598 0.6066 0.7470 0.7835 0.9025 0.9222 1.0464 1.0603 1.7450 1.7510 1.9202 1.9316 1.9636 2.0042 2.1115 2.1386 2.5490 2.6052 2.7063 2.7505 2.8802 2.8948 2.9145 2.9585 3.1720 3.1813 3.2472 3.2786 3.8217 3.9044 3.9439 4.0232 4.6015 4.6963 4.7567 4.7776 5.3458 5.3613 5.4182 5.4470 6.9972 7.0734 7.4351 7.4704 7.5466 7.6349 7.8059 7.8778 8.4945 8.5187 8.5981 8.6664 k = 0.0000 0.2500 0.2660 ( 3596 PWs) bands (ev): -9.0771 -9.0764 -9.0520 -9.0511 -7.8106 -7.8095 -7.5239 -7.5223 -7.3264 -7.3228 -7.2291 -7.2232 -7.1220 -7.1162 -7.0423 -7.0351 -3.3361 -3.3341 -3.1061 -3.1029 -1.6179 -1.5992 -1.5454 -1.5276 0.5342 0.5795 0.7169 0.7507 0.8992 0.9198 1.0343 1.0476 1.7559 1.7640 1.9285 1.9460 1.9810 2.0176 2.1181 2.1464 2.5328 2.5804 2.6916 2.7314 2.8677 2.8742 2.9042 2.9308 3.1642 3.1754 3.2336 3.2666 3.8210 3.9059 3.9485 4.0300 4.5864 4.6818 4.7306 4.7527 5.3424 5.3526 5.4154 5.4479 7.0390 7.1131 7.4737 7.5052 7.6030 7.6942 7.8391 7.9124 8.5378 8.5627 8.6480 8.7151 k = 0.0000 0.2667 0.2660 ( 3592 PWs) bands (ev): -9.0576 -9.0569 -9.0284 -9.0274 -7.8350 -7.8336 -7.5505 -7.5490 -7.3379 -7.3341 -7.2343 -7.2282 -7.1208 -7.1152 -7.0437 -7.0363 -3.3210 -3.3191 -3.0977 -3.0943 -1.6035 -1.5849 -1.5350 -1.5173 0.5111 0.5546 0.6881 0.7192 0.8973 0.9186 1.0230 1.0355 1.7624 1.7727 1.9255 1.9487 2.0088 2.0371 2.1217 2.1502 2.5140 2.5536 2.6717 2.7081 2.8488 2.8611 2.8957 2.9042 3.1661 3.1787 3.2274 3.2622 3.8216 3.9088 3.9561 4.0387 4.5711 4.6671 4.7046 4.7276 5.3312 5.3363 5.4057 5.4421 7.0838 7.1551 7.5160 7.5435 7.6598 7.7524 7.8752 7.9491 8.5756 8.6037 8.7107 8.7617 k = 0.0000 0.2833 0.2660 ( 3604 PWs) bands (ev): -9.0375 -9.0367 -9.0037 -9.0026 -7.8618 -7.8602 -7.5788 -7.5772 -7.3478 -7.3437 -7.2386 -7.2325 -7.1190 -7.1137 -7.0452 -7.0376 -3.3064 -3.3045 -3.0901 -3.0866 -1.5887 -1.5703 -1.5244 -1.5070 0.4904 0.5319 0.6606 0.6892 0.8966 0.9184 1.0123 1.0239 1.7636 1.7764 1.9181 1.9461 2.0377 2.0598 2.1235 2.1507 2.4931 2.5255 2.6471 2.6813 2.8263 2.8509 2.8767 2.8869 3.1772 3.1924 3.2305 3.2674 3.8232 3.9129 3.9663 4.0489 4.5549 4.6515 4.6785 4.7027 5.3119 5.3139 5.3893 5.4298 7.1311 7.1994 7.5617 7.5848 7.7164 7.8092 7.9135 7.9873 8.6087 8.6412 8.7787 8.7963 k = 0.0000 0.3000 0.2660 ( 3604 PWs) bands (ev): -9.0170 -9.0162 -8.9780 -8.9770 -7.8906 -7.8889 -7.6082 -7.6066 -7.3557 -7.3515 -7.2421 -7.2362 -7.1166 -7.1118 -7.0467 -7.0390 -3.2924 -3.2906 -3.0832 -3.0797 -1.5734 -1.5556 -1.5137 -1.4967 0.4722 0.5115 0.6346 0.6606 0.8971 0.9192 1.0026 1.0132 1.7593 1.7745 1.9091 1.9403 2.0650 2.0836 2.1258 2.1493 2.4712 2.4972 2.6192 2.6520 2.8033 2.8369 2.8536 2.8716 3.1960 3.2168 3.2437 3.2830 3.8260 3.9181 3.9785 4.0603 4.5374 4.6347 4.6523 4.6784 5.2827 5.2887 5.3667 5.4113 7.1811 7.2459 7.6108 7.6295 7.7728 7.8646 7.9534 8.0267 8.6386 8.6752 8.8152 8.8503 k = 0.0000 0.3167 0.2660 ( 3600 PWs) bands (ev): -8.9963 -8.9955 -8.9516 -8.9505 -7.9212 -7.9194 -7.6382 -7.6366 -7.3619 -7.3576 -7.2450 -7.2394 -7.1138 -7.1095 -7.0483 -7.0405 -3.2791 -3.2774 -3.0772 -3.0736 -1.5581 -1.5409 -1.5029 -1.4865 0.4564 0.4933 0.6101 0.6336 0.8987 0.9208 0.9937 1.0034 1.7499 1.7671 1.8993 1.9318 2.0886 2.1074 2.1318 2.1477 2.4489 2.4694 2.5890 2.6209 2.7803 2.8162 2.8344 2.8519 3.2219 3.2504 3.2666 3.3086 3.8302 3.9246 3.9924 4.0726 4.5182 4.6162 4.6258 4.6551 5.2477 5.2585 5.3387 5.3873 7.2333 7.2944 7.6630 7.6770 7.8284 7.9185 7.9944 8.0666 8.6659 8.7057 8.8391 8.8824 k = 0.0000 0.3333 0.2660 ( 3596 PWs) bands (ev): -8.9757 -8.9749 -8.9246 -8.9235 -7.9529 -7.9511 -7.6683 -7.6668 -7.3666 -7.3623 -7.2474 -7.2423 -7.1107 -7.1070 -7.0501 -7.0422 -3.2666 -3.2650 -3.0719 -3.0684 -1.5427 -1.5264 -1.4923 -1.4768 0.4429 0.4775 0.5872 0.6083 0.9013 0.9230 0.9860 0.9945 1.7365 1.7553 1.8879 1.9203 2.1063 2.1300 2.1443 2.1491 2.4274 2.4430 2.5578 2.5894 2.7567 2.7914 2.8161 2.8289 3.2540 3.2910 3.2976 3.3426 3.8364 3.9324 4.0074 4.0852 4.4969 4.5958 4.5990 4.6330 5.2085 5.2241 5.3063 5.3585 7.2872 7.3444 7.7178 7.7270 7.8832 7.9707 8.0360 8.1065 8.6904 8.7324 8.8605 8.9036 k = 0.0000 0.3500 0.2660 ( 3594 PWs) bands (ev): -8.9553 -8.9546 -8.8974 -8.8962 -7.9854 -7.9836 -7.6980 -7.6964 -7.3698 -7.3656 -7.2495 -7.2448 -7.1073 -7.1043 -7.0519 -7.0441 -3.2549 -3.2535 -3.0675 -3.0641 -1.5277 -1.5124 -1.4821 -1.4676 0.4318 0.4638 0.5659 0.5846 0.9047 0.9256 0.9793 0.9867 1.7206 1.7404 1.8741 1.9056 2.1201 2.1434 2.1598 2.1644 2.4071 2.4189 2.5262 2.5585 2.7321 2.7650 2.7963 2.8041 3.2912 3.3351 3.3362 3.3830 3.8447 3.9416 4.0230 4.0974 4.4737 4.5703 4.5752 4.6118 5.1664 5.1864 5.2704 5.3256 7.3418 7.3952 7.7743 7.7791 7.9365 8.0210 8.0771 8.1455 8.7119 8.7551 8.8792 8.9209 k = 0.0000 0.3667 0.2660 ( 3598 PWs) bands (ev): -8.9356 -8.9349 -8.8701 -8.8690 -8.0180 -8.0162 -7.7266 -7.7252 -7.3720 -7.3679 -7.2513 -7.2471 -7.1037 -7.1014 -7.0538 -7.0462 -3.2443 -3.2430 -3.0638 -3.0606 -1.5131 -1.4991 -1.4724 -1.4591 0.4230 0.4523 0.5462 0.5626 0.9086 0.9284 0.9737 0.9800 1.7037 1.7240 1.8575 1.8881 2.1339 2.1500 2.1807 2.1848 2.3887 2.3986 2.4951 2.5290 2.7060 2.7376 2.7746 2.7797 3.3321 3.3770 3.3843 3.4273 3.8556 3.9523 4.0386 4.1086 4.4487 4.5417 4.5530 4.5911 5.1230 5.1468 5.2323 5.2896 7.3965 7.4456 7.8303 7.8342 7.9876 8.0687 8.1173 8.1829 8.7303 8.7738 8.8953 8.9351 k = 0.0000 0.3833 0.2660 ( 3594 PWs) bands (ev): -8.9168 -8.9161 -8.8432 -8.8421 -8.0501 -8.0483 -7.7537 -7.7523 -7.3732 -7.3694 -7.2528 -7.2492 -7.1000 -7.0983 -7.0559 -7.0484 -3.2347 -3.2335 -3.0608 -3.0578 -1.4992 -1.4866 -1.4634 -1.4514 0.4162 0.4428 0.5282 0.5424 0.9129 0.9311 0.9694 0.9745 1.6870 1.7076 1.8388 1.8686 2.1486 2.1584 2.2014 2.2044 2.3728 2.3838 2.4652 2.5018 2.6786 2.7092 2.7512 2.7571 3.3754 3.4219 3.4336 3.4732 3.8696 3.9645 4.0538 4.1180 4.4227 4.5122 4.5308 4.5704 5.0802 5.1069 5.1933 5.2517 7.4498 7.4946 7.8840 7.8923 8.0356 8.1134 8.1555 8.2177 8.7460 8.7884 8.9088 8.9463 k = 0.0000 0.4000 0.2660 ( 3594 PWs) bands (ev): -8.8994 -8.8987 -8.8172 -8.8161 -8.0810 -8.0793 -7.7787 -7.7774 -7.3737 -7.3703 -7.2541 -7.2511 -7.0964 -7.0951 -7.0580 -7.0508 -3.2262 -3.2252 -3.0584 -3.0556 -1.4863 -1.4752 -1.4553 -1.4447 0.4115 0.4352 0.5119 0.5240 0.9172 0.9333 0.9663 0.9702 1.6717 1.6921 1.8189 1.8479 2.1632 2.1694 2.2195 2.2220 2.3614 2.3755 2.4369 2.4775 2.6500 2.6800 2.7280 2.7357 3.4197 3.4677 3.4823 3.5181 3.8871 3.9779 4.0678 4.1248 4.3965 4.4822 4.5093 4.5495 5.0398 5.0681 5.1548 5.2128 7.5009 7.5409 7.9366 7.9504 8.0795 8.1542 8.1912 8.2490 8.7588 8.7990 8.9198 8.9543 k = 0.0000 0.4167 0.2660 ( 3614 PWs) bands (ev): -8.8836 -8.8831 -8.7927 -8.7917 -8.1099 -8.1083 -7.8010 -7.7999 -7.3738 -7.3708 -7.2553 -7.2528 -7.0930 -7.0916 -7.0603 -7.0534 -3.2189 -3.2181 -3.0566 -3.0542 -1.4746 -1.4651 -1.4482 -1.4392 0.4087 0.4294 0.4975 0.5076 0.9212 0.9349 0.9643 0.9670 1.6585 1.6782 1.7994 1.8270 2.1749 2.1830 2.2309 2.2407 2.3562 2.3738 2.4110 2.4565 2.6209 2.6504 2.7066 2.7152 3.4635 3.5128 3.5282 3.5595 3.9083 3.9922 4.0798 4.1282 4.3712 4.4516 4.4891 4.5284 5.0039 5.0318 5.1185 5.1741 7.5477 7.5826 7.9871 8.0066 8.1175 8.1897 8.2233 8.2757 8.7692 8.8058 8.9286 8.9594 k = 0.0000 0.4333 0.2660 ( 3614 PWs) bands (ev): -8.8700 -8.8695 -8.7706 -8.7697 -8.1357 -8.1344 -7.8201 -7.8192 -7.3735 -7.3710 -7.2562 -7.2542 -7.0898 -7.0880 -7.0625 -7.0562 -3.2128 -3.2122 -3.0552 -3.0532 -1.4641 -1.4563 -1.4423 -1.4350 0.4077 0.4252 0.4850 0.4933 0.9248 0.9358 0.9633 0.9650 1.6482 1.6663 1.7819 1.8069 2.1836 2.1961 2.2381 2.2595 2.3558 2.3779 2.3894 2.4398 2.5924 2.6212 2.6877 2.6963 3.5052 3.5553 3.5687 3.5954 3.9334 4.0068 4.0891 4.1277 4.3485 4.4212 4.4713 4.5075 4.9745 4.9999 5.0864 5.1372 7.5894 7.6184 8.0343 8.0593 8.1486 8.2183 8.2517 8.2973 8.7778 8.8094 8.9356 8.9619 k = 0.0000 0.4500 0.2660 ( 3614 PWs) bands (ev): -8.8588 -8.8585 -8.7517 -8.7509 -8.1576 -8.1565 -7.8356 -7.8349 -7.3731 -7.3711 -7.2569 -7.2554 -7.0867 -7.0846 -7.0647 -7.0590 -3.2080 -3.2075 -3.0541 -3.0525 -1.4552 -1.4493 -1.4376 -1.4321 0.4082 0.4222 0.4748 0.4813 0.9279 0.9360 0.9629 0.9638 1.6410 1.6565 1.7676 1.7887 2.1897 2.2042 2.2464 2.2783 2.3519 2.3716 2.3908 2.4292 2.5659 2.5928 2.6721 2.6796 3.5432 3.5926 3.6009 3.6246 3.9613 4.0208 4.0952 4.1233 4.3303 4.3914 4.4571 4.4874 4.9527 4.9735 5.0603 5.1034 7.6244 7.6470 8.0769 8.1064 8.1724 8.2377 8.2763 8.3130 8.7850 8.8102 8.9413 8.9621 k = 0.0000 0.4667 0.2660 ( 3598 PWs) bands (ev): -8.8506 -8.8503 -8.7370 -8.7365 -8.1742 -8.1735 -7.8469 -7.8464 -7.3726 -7.3712 -7.2573 -7.2563 -7.0839 -7.0817 -7.0665 -7.0619 -3.2044 -3.2041 -3.0533 -3.0522 -1.4481 -1.4441 -1.4343 -1.4306 0.4099 0.4199 0.4672 0.4718 0.9304 0.9357 0.9629 0.9633 1.6371 1.6486 1.7579 1.7734 2.1939 2.2056 2.2591 2.2954 2.3388 2.3650 2.4035 2.4267 2.5439 2.5667 2.6606 2.6661 3.5757 3.6167 3.6272 3.6465 3.9901 4.0326 4.0980 4.1155 4.3189 4.3639 4.4478 4.4695 4.9388 4.9534 5.0425 5.0743 7.6517 7.6671 8.1131 8.1433 8.1907 8.2462 8.2970 8.3225 8.7913 8.8089 8.9462 8.9607 k = 0.0000 0.4833 0.2660 ( 3596 PWs) bands (ev): -8.8454 -8.8453 -8.7277 -8.7274 -8.1847 -8.1843 -7.8538 -7.8536 -7.3721 -7.3714 -7.2574 -7.2570 -7.0814 -7.0798 -7.0674 -7.0646 -3.2023 -3.2021 -3.0527 -3.0522 -1.4431 -1.4411 -1.4322 -1.4304 0.4124 0.4177 0.4629 0.4653 0.9324 0.9350 0.9630 0.9632 1.6363 1.6425 1.7536 1.7618 2.1972 2.2035 2.2748 2.3023 2.3324 2.3554 2.4164 2.4286 2.5306 2.5447 2.6539 2.6569 3.6010 3.6232 3.6488 3.6590 4.0159 4.0387 4.0986 4.1065 4.3164 4.3404 4.4441 4.4554 4.9325 4.9399 5.0348 5.0519 7.6700 7.6779 8.1409 8.1612 8.2097 8.2431 8.3126 8.3257 8.7968 8.8058 8.9505 8.9579 k = 0.0000 0.5000 0.2660 ( 3600 PWs) bands (ev): -8.8437 -8.8437 -8.7243 -8.7243 -8.1881 -8.1881 -7.8560 -7.8560 -7.3717 -7.3717 -7.2574 -7.2574 -7.0799 -7.0799 -7.0667 -7.0667 -3.2015 -3.2015 -3.0523 -3.0523 -1.4407 -1.4407 -1.4310 -1.4310 0.4152 0.4152 0.4622 0.4622 0.9339 0.9339 0.9631 0.9631 1.6382 1.6382 1.7550 1.7550 2.2003 2.2003 2.2910 2.2910 2.3426 2.3426 2.4261 2.4261 2.5309 2.5309 2.6527 2.6527 3.6174 3.6174 3.6599 3.6599 4.0337 4.0337 4.1003 4.1003 4.3238 4.3238 4.4466 4.4466 4.9330 4.9330 5.0382 5.0382 7.6788 7.6788 8.1580 8.1580 8.2296 8.2296 8.3223 8.3223 8.8017 8.8017 8.9544 8.9544 k = 0.0000 0.5000 0.2660 ( 3600 PWs) bands (ev): -8.8437 -8.8437 -8.7243 -8.7243 -8.1881 -8.1881 -7.8560 -7.8560 -7.3717 -7.3717 -7.2574 -7.2574 -7.0799 -7.0799 -7.0667 -7.0667 -3.2015 -3.2015 -3.0523 -3.0523 -1.4407 -1.4407 -1.4310 -1.4310 0.4152 0.4152 0.4622 0.4622 0.9339 0.9339 0.9631 0.9631 1.6382 1.6382 1.7550 1.7550 2.2003 2.2003 2.2910 2.2910 2.3426 2.3426 2.4261 2.4261 2.5309 2.5309 2.6527 2.6527 3.6174 3.6174 3.6599 3.6599 4.0337 4.0337 4.1003 4.1003 4.3238 4.3238 4.4466 4.4466 4.9330 4.9330 5.0382 5.0382 7.6788 7.6788 8.1580 8.1580 8.2296 8.2296 8.3223 8.3223 8.8017 8.8017 8.9544 8.9544 k = 0.0167 0.5000 0.2660 ( 3600 PWs) bands (ev): -8.8430 -8.8429 -8.7237 -8.7236 -8.1879 -8.1878 -7.8560 -7.8559 -7.3723 -7.3720 -7.2582 -7.2580 -7.0809 -7.0801 -7.0672 -7.0665 -3.2017 -3.2012 -3.0524 -3.0519 -1.4481 -1.4461 -1.4315 -1.4304 0.4133 0.4151 0.4625 0.4656 0.9347 0.9363 0.9640 0.9648 1.6371 1.6406 1.7486 1.7603 2.1825 2.1943 2.2573 2.2958 2.3442 2.3588 2.4210 2.4380 2.5324 2.5495 2.6503 2.6721 3.6173 3.6219 3.6613 3.6623 4.0309 4.0380 4.1013 4.1037 4.3209 4.3284 4.4457 4.4509 4.9321 4.9333 5.0370 5.0385 7.6745 7.6783 8.1531 8.1588 8.2196 8.2327 8.3138 8.3244 8.7995 8.8048 8.9550 8.9574 k = 0.0333 0.5000 0.2660 ( 3608 PWs) bands (ev): -8.8408 -8.8407 -8.7218 -8.7216 -8.1869 -8.1868 -7.8558 -7.8557 -7.3741 -7.3734 -7.2606 -7.2601 -7.0830 -7.0815 -7.0682 -7.0667 -3.2019 -3.2009 -3.0520 -3.0511 -1.4640 -1.4606 -1.4363 -1.4337 0.4102 0.4131 0.4661 0.4715 0.9388 0.9418 0.9675 0.9690 1.6372 1.6443 1.7414 1.7642 2.1406 2.1612 2.2350 2.2745 2.3553 2.3593 2.4324 2.4602 2.5514 2.5856 2.6645 2.7036 3.6219 3.6309 3.6665 3.6684 4.0297 4.0440 4.1067 4.1114 4.3196 4.3344 4.4480 4.4585 4.9307 4.9330 5.0351 5.0380 7.6655 7.6731 8.1441 8.1558 8.2029 8.2291 8.2994 8.3200 8.7984 8.8089 8.9591 8.9639 k = 0.0500 0.5000 0.2660 ( 3616 PWs) bands (ev): -8.8372 -8.8370 -8.7185 -8.7182 -8.1854 -8.1853 -7.8556 -7.8553 -7.3768 -7.3758 -7.2643 -7.2636 -7.0862 -7.0842 -7.0694 -7.0675 -3.2019 -3.2005 -3.0513 -3.0499 -1.4863 -1.4814 -1.4470 -1.4430 0.4070 0.4101 0.4716 0.4783 0.9459 0.9503 0.9735 0.9755 1.6389 1.6498 1.7343 1.7672 2.0859 2.1091 2.2138 2.2498 2.3512 2.3640 2.4590 2.4870 2.5837 2.6337 2.6897 2.7413 3.6310 3.6441 3.6753 3.6782 4.0303 4.0519 4.1162 4.1229 4.3200 4.3417 4.4538 4.4696 4.9288 4.9322 5.0323 5.0368 7.6519 7.6633 8.1309 8.1488 8.1801 8.2193 8.2797 8.3090 8.7987 8.8142 8.9666 8.9736 k = 0.0667 0.5000 0.2660 ( 3604 PWs) bands (ev): -8.8321 -8.8318 -8.7139 -8.7135 -8.1833 -8.1831 -7.8552 -7.8549 -7.3805 -7.3792 -7.2694 -7.2684 -7.0903 -7.0880 -7.0711 -7.0688 -3.2018 -3.1999 -3.0500 -3.0482 -1.5141 -1.5080 -1.4636 -1.4582 0.4039 0.4068 0.4774 0.4848 0.9557 0.9614 0.9817 0.9841 1.6426 1.6577 1.7281 1.7696 2.0281 2.0510 2.1835 2.2146 2.3588 2.3765 2.4880 2.5156 2.6246 2.6872 2.7210 2.7813 3.6446 3.6614 3.6880 3.6917 4.0331 4.0619 4.1296 4.1379 4.3220 4.3503 4.4632 4.4845 4.9263 4.9310 5.0289 5.0349 7.6340 7.6491 8.1134 8.1380 8.1522 8.2044 8.2557 8.2921 8.8011 8.8212 8.9773 8.9863 k = 0.0833 0.5000 0.2660 ( 3608 PWs) bands (ev): -8.8255 -8.8252 -8.7080 -8.7075 -8.1806 -8.1804 -7.8548 -7.8544 -7.3852 -7.3836 -7.2758 -7.2746 -7.0954 -7.0929 -7.0732 -7.0709 -3.2015 -3.1992 -3.0483 -3.0461 -1.5469 -1.5397 -1.4859 -1.4793 0.4011 0.4035 0.4822 0.4897 0.9677 0.9741 0.9917 0.9942 1.6489 1.6683 1.7230 1.7713 1.9716 1.9938 2.1459 2.1722 2.3774 2.3983 2.5172 2.5462 2.6691 2.7389 2.7569 2.8211 3.6625 3.6822 3.7043 3.7088 4.0381 4.0742 4.1461 4.1559 4.3256 4.3599 4.4761 4.5030 4.9232 4.9292 5.0245 5.0322 7.6118 7.6308 8.0913 8.1170 8.1257 8.1852 8.2278 8.2698 8.8057 8.8301 8.9907 9.0014 k = 0.1000 0.5000 0.2660 ( 3608 PWs) bands (ev): -8.8176 -8.8171 -8.7008 -8.7002 -8.1774 -8.1772 -7.8545 -7.8540 -7.3907 -7.3888 -7.2834 -7.2819 -7.1013 -7.0988 -7.0760 -7.0735 -3.2008 -3.1980 -3.0459 -3.0433 -1.5840 -1.5759 -1.5134 -1.5056 0.3982 0.4002 0.4848 0.4924 0.9810 0.9877 1.0029 1.0052 1.6583 1.6819 1.7193 1.7714 1.9199 1.9422 2.1061 2.1277 2.4030 2.4262 2.5479 2.5792 2.7135 2.7785 2.8032 2.8593 3.6844 3.7064 3.7241 3.7293 4.0454 4.0886 4.1652 4.1765 4.3308 4.3705 4.4927 4.5251 4.9194 4.9270 5.0194 5.0289 7.5858 7.6087 8.0648 8.0810 8.1066 8.1633 8.1970 8.2428 8.8131 8.8414 9.0067 9.0188 k = 0.1167 0.5000 0.2660 ( 3596 PWs) bands (ev): -8.8082 -8.8077 -8.6923 -8.6916 -8.1738 -8.1735 -7.8543 -7.8537 -7.3972 -7.3949 -7.2920 -7.2902 -7.1080 -7.1055 -7.0793 -7.0768 -3.1996 -3.1964 -3.0429 -3.0399 -1.6249 -1.6160 -1.5455 -1.5368 0.3950 0.3967 0.4847 0.4921 0.9946 1.0008 1.0143 1.0163 1.6708 1.6978 1.7164 1.7673 1.8766 1.9023 2.0676 2.0851 2.4329 2.4578 2.5809 2.6147 2.7556 2.8105 2.8529 2.8955 3.7099 3.7335 3.7478 3.7532 4.0549 4.1052 4.1861 4.1996 4.3379 4.3822 4.5128 4.5507 4.9151 4.9243 5.0135 5.0249 7.5564 7.5832 8.0344 8.0415 8.0845 8.1398 8.1642 8.2125 8.8233 8.8552 9.0252 9.0386 k = 0.1333 0.5000 0.2660 ( 3596 PWs) bands (ev): -8.7974 -8.7968 -8.6826 -8.6817 -8.1699 -8.1695 -7.8543 -7.8537 -7.4044 -7.4019 -7.3016 -7.2995 -7.1157 -7.1131 -7.0833 -7.0807 -3.1979 -3.1943 -3.0392 -3.0358 -1.6691 -1.6595 -1.5817 -1.5722 0.3911 0.3927 0.4815 0.4886 1.0070 1.0118 1.0244 1.0265 1.6855 1.7081 1.7182 1.7573 1.8461 1.8805 2.0333 2.0477 2.4650 2.4913 2.6161 2.6521 2.7934 2.8397 2.8989 2.9292 3.7385 3.7627 3.7755 3.7804 4.0666 4.1236 4.2080 4.2247 4.3470 4.3951 4.5360 4.5791 4.9100 4.9212 5.0068 5.0202 7.5238 7.5549 7.9984 8.0019 8.0584 8.1152 8.1302 8.1796 8.8364 8.8717 9.0458 9.0603 k = 0.1500 0.5000 0.2660 ( 3604 PWs) bands (ev): -8.7852 -8.7846 -8.6716 -8.6707 -8.1656 -8.1653 -7.8548 -7.8541 -7.4124 -7.4095 -7.3118 -7.3094 -7.1241 -7.1216 -7.0878 -7.0852 -3.1954 -3.1915 -3.0346 -3.0308 -1.7161 -1.7059 -1.6215 -1.6112 0.3863 0.3881 0.4749 0.4818 1.0154 1.0192 1.0319 1.0346 1.6937 1.7079 1.7232 1.7562 1.8318 1.8773 2.0060 2.0189 2.4983 2.5257 2.6533 2.6912 2.8258 2.8672 2.9386 2.9616 3.7693 3.7932 3.8074 3.8109 4.0804 4.1436 4.2299 4.2513 4.3588 4.4096 4.5620 4.6098 4.9042 4.9176 4.9993 5.0149 7.4885 7.5238 7.9554 7.9650 8.0284 8.0890 8.0965 8.1454 8.8521 8.8905 9.0681 9.0837 k = 0.1667 0.5000 0.2660 ( 3592 PWs) bands (ev): -8.7718 -8.7711 -8.6595 -8.6585 -8.1613 -8.1609 -7.8558 -7.8550 -7.4210 -7.4179 -7.3224 -7.3197 -7.1333 -7.1308 -7.0930 -7.0902 -3.1922 -3.1878 -3.0291 -3.0249 -1.7652 -1.7545 -1.6641 -1.6533 0.3806 0.3828 0.4654 0.4720 1.0165 1.0210 1.0358 1.0398 1.6855 1.7038 1.7349 1.7725 1.8327 1.8868 1.9883 2.0024 2.5320 2.5603 2.6921 2.7313 2.8522 2.8935 2.9699 2.9941 3.8018 3.8249 3.8432 3.8448 4.0961 4.1650 4.2511 4.2787 4.3738 4.4262 4.5903 4.6423 4.8978 4.9138 4.9913 5.0091 7.4512 7.4910 7.9115 7.9273 7.9953 8.0567 8.0684 8.1114 8.8712 8.9127 9.0931 9.1097 k = 0.1833 0.5000 0.2660 ( 3596 PWs) bands (ev): -8.7570 -8.7562 -8.6462 -8.6451 -8.1569 -8.1565 -7.8574 -7.8566 -7.4302 -7.4269 -7.3332 -7.3302 -7.1432 -7.1408 -7.0987 -7.0959 -3.1880 -3.1833 -3.0226 -3.0181 -1.8160 -1.8050 -1.7092 -1.6980 0.3740 0.3766 0.4532 0.4595 1.0081 1.0145 1.0352 1.0412 1.6782 1.6997 1.7569 1.7908 1.8449 1.9047 1.9824 2.0009 2.5653 2.5942 2.7319 2.7717 2.8726 2.9181 2.9935 3.0251 3.8352 3.8578 3.8817 3.8827 4.1135 4.1875 4.2708 4.3058 4.3925 4.4452 4.6201 4.6756 4.8908 4.9098 4.9826 5.0027 7.4124 7.4568 7.8675 7.8889 7.9598 8.0201 8.0435 8.0785 8.8930 8.9375 9.1202 9.1380 k = 0.2000 0.5000 0.2660 ( 3604 PWs) bands (ev): -8.7409 -8.7401 -8.6318 -8.6307 -8.1527 -8.1522 -7.8599 -7.8591 -7.4400 -7.4364 -7.3438 -7.3405 -7.1539 -7.1515 -7.1051 -7.1021 -3.1828 -3.1778 -3.0150 -3.0102 -1.8682 -1.8570 -1.7563 -1.7447 0.3667 0.3696 0.4390 0.4449 0.9904 0.9983 1.0288 1.0373 1.6793 1.7056 1.7812 1.8078 1.8646 1.9292 1.9894 2.0150 2.5978 2.6270 2.7719 2.8117 2.8879 2.9403 3.0117 3.0526 3.8690 3.8918 3.9222 3.9244 4.1325 4.2109 4.2889 4.3316 4.4148 4.4669 4.6509 4.7090 4.8832 4.9058 4.9735 4.9958 7.3726 7.4215 7.8239 7.8504 7.9228 7.9818 8.0194 8.0474 8.9177 8.9649 9.1495 9.1688 k = 0.2167 0.5000 0.2660 ( 3592 PWs) bands (ev): -8.7236 -8.7227 -8.6164 -8.6151 -8.1488 -8.1483 -7.8634 -7.8625 -7.4503 -7.4465 -7.3539 -7.3503 -7.1652 -7.1629 -7.1119 -7.1089 -3.1763 -3.1710 -3.0062 -3.0010 -1.9214 -1.9099 -1.8048 -1.7930 0.3588 0.3621 0.4233 0.4288 0.9640 0.9729 1.0160 1.0267 1.6913 1.7222 1.8072 1.8264 1.8901 1.9587 2.0089 2.0422 2.6291 2.6581 2.8112 2.8500 2.8994 2.9597 3.0256 3.0757 3.9030 3.9268 3.9652 3.9685 4.1531 4.2350 4.3058 4.3557 4.4402 4.4910 4.6818 4.7414 4.8752 4.9024 4.9642 4.9886 7.3327 7.3860 7.7814 7.8127 7.8852 7.9424 7.9960 8.0184 8.9451 8.9950 9.1811 9.2022 k = 0.2333 0.5000 0.2660 ( 3592 PWs) bands (ev): -8.7052 -8.7042 -8.6000 -8.5986 -8.1454 -8.1448 -7.8680 -7.8671 -7.4609 -7.4570 -7.3632 -7.3593 -7.1771 -7.1748 -7.1193 -7.1161 -3.1686 -3.1629 -2.9960 -2.9905 -1.9751 -1.9635 -1.8544 -1.8424 0.3505 0.3540 0.4069 0.4119 0.9304 0.9399 0.9964 1.0091 1.7138 1.7482 1.8350 1.8509 1.9199 1.9915 2.0387 2.0793 2.6587 2.6871 2.8485 2.8837 2.9099 2.9764 3.0357 3.0941 3.9370 3.9625 4.0103 4.0144 4.1751 4.2597 4.3220 4.3779 4.4675 4.5170 4.7122 4.7715 4.8669 4.8999 4.9548 4.9810 7.2930 7.3505 7.7403 7.7759 7.8475 7.9023 7.9733 7.9915 8.9744 9.0269 9.2142 9.2376 k = 0.2500 0.5000 0.2660 ( 3580 PWs) bands (ev): -8.6856 -8.6846 -8.5826 -8.5812 -8.1427 -8.1421 -7.8739 -7.8730 -7.4717 -7.4678 -7.3712 -7.3671 -7.1896 -7.1873 -7.1272 -7.1239 -3.1594 -3.1535 -2.9845 -2.9787 -2.0291 -2.0175 -1.9047 -1.8927 0.3421 0.3456 0.3904 0.3949 0.8917 0.9013 0.9708 0.9849 1.7455 1.7817 1.8662 1.8835 1.9533 2.0269 2.0759 2.1236 2.6864 2.7137 2.8810 2.9031 2.9295 2.9906 3.0431 3.1081 3.9709 3.9987 4.0568 4.0615 4.1986 4.2847 4.3382 4.3983 4.4955 4.5439 4.7414 4.7977 4.8584 4.8997 4.9458 4.9731 7.2544 7.3156 7.7012 7.7407 7.8101 7.8619 7.9515 7.9667 9.0049 9.0598 9.2466 9.2733 k = 0.2667 0.5000 0.2660 ( 3580 PWs) bands (ev): -8.6650 -8.6639 -8.5644 -8.5629 -8.1410 -8.1404 -7.8812 -7.8802 -7.4827 -7.4787 -7.3779 -7.3735 -7.2025 -7.2003 -7.1355 -7.1321 -3.1488 -3.1426 -2.9715 -2.9654 -2.0832 -2.0715 -1.9555 -1.9435 0.3336 0.3370 0.3747 0.3786 0.8493 0.8587 0.9400 0.9549 1.7844 1.8206 1.9029 1.9231 1.9894 2.0643 2.1184 2.1725 2.7118 2.7372 2.8971 2.9194 2.9554 3.0032 3.0488 3.1178 4.0048 4.0349 4.1037 4.1092 4.2238 4.3099 4.3549 4.4176 4.5227 4.5705 4.7687 4.8174 4.8500 4.9035 4.9374 4.9650 7.2172 7.2815 7.6642 7.7072 7.7734 7.8216 7.9306 7.9436 9.0349 9.0914 9.2608 9.2751 k = 0.2833 0.5000 0.2660 ( 3576 PWs) bands (ev): -8.6433 -8.6422 -8.5454 -8.5439 -8.1405 -8.1398 -7.8900 -7.8890 -7.4934 -7.4895 -7.3829 -7.3784 -7.2158 -7.2136 -7.1443 -7.1407 -3.1367 -3.1303 -2.9569 -2.9506 -2.1370 -2.1253 -2.0064 -1.9944 0.3251 0.3280 0.3606 0.3636 0.8051 0.8140 0.9053 0.9205 1.8288 1.8634 1.9458 1.9684 2.0283 2.1032 2.1646 2.2243 2.7343 2.7574 2.8972 2.9391 2.9767 3.0149 3.0553 3.1234 4.0387 4.0711 4.1495 4.1572 4.2515 4.3353 4.3727 4.4362 4.5480 4.5957 4.7934 4.8285 4.8422 4.9124 4.9304 4.9569 7.1820 7.2487 7.6297 7.6756 7.7375 7.7819 7.9108 7.9223 9.0603 9.1156 9.2402 9.2419 k = 0.3000 0.5000 0.2660 ( 3584 PWs) bands (ev): -8.6207 -8.6196 -8.5258 -8.5243 -8.1415 -8.1408 -7.9002 -7.8992 -7.5037 -7.4999 -7.3863 -7.3816 -7.2294 -7.2273 -7.1534 -7.1497 -3.1230 -3.1163 -2.9408 -2.9342 -2.1902 -2.1787 -2.0572 -2.0453 0.3164 0.3184 0.3490 0.3510 0.7600 0.7683 0.8677 0.8829 1.8771 1.9083 1.9939 2.0182 2.0696 2.1431 2.2133 2.2777 2.7533 2.7740 2.8926 2.9508 2.9891 3.0269 3.0643 3.1256 4.0726 4.1071 4.1924 4.2052 4.2823 4.3605 4.3919 4.4542 4.5705 4.6184 4.8143 4.8308 4.8368 4.9200 4.9299 4.9489 7.1492 7.2174 7.5980 7.6461 7.7026 7.7430 7.8921 7.9028 9.0720 9.1175 9.2194 9.2325 k = 0.3167 0.5000 0.2660 ( 3584 PWs) bands (ev): -8.5973 -8.5961 -8.5056 -8.5040 -8.1442 -8.1434 -7.9119 -7.9108 -7.5133 -7.5096 -7.3880 -7.3832 -7.2432 -7.2411 -7.1629 -7.1591 -3.1077 -3.1008 -2.9230 -2.9162 -2.2427 -2.2313 -2.1077 -2.0958 0.3073 0.3085 0.3402 0.3419 0.7152 0.7229 0.8284 0.8433 1.9280 1.9547 2.0461 2.0716 2.1137 2.1838 2.2639 2.3314 2.7680 2.7872 2.8855 2.9538 2.9911 3.0394 3.0745 3.1249 4.1067 4.1428 4.2307 4.2527 4.3168 4.3856 4.4131 4.4720 4.5898 4.6381 4.8258 4.8259 4.8407 4.9164 4.9416 4.9430 7.1191 7.1879 7.5693 7.6189 7.6689 7.7053 7.8748 7.8849 9.0611 9.0935 9.2208 9.2477 k = 0.3333 0.5000 0.2660 ( 3592 PWs) bands (ev): -8.5731 -8.5718 -8.4851 -8.4835 -8.1488 -8.1480 -7.9249 -7.9237 -7.5219 -7.5184 -7.3881 -7.3833 -7.2570 -7.2550 -7.1726 -7.1687 -3.0908 -3.0838 -2.9036 -2.8965 -2.2943 -2.2830 -2.1576 -2.1459 0.2980 0.2990 0.3342 0.3365 0.6712 0.6783 0.7884 0.8027 1.9801 2.0015 2.1005 2.1271 2.1608 2.2251 2.3155 2.3848 2.7772 2.7975 2.8769 2.9498 2.9858 3.0491 3.0829 3.1224 4.1410 4.1781 4.2645 4.2988 4.3541 4.4104 4.4367 4.4896 4.6056 4.6541 4.8203 4.8241 4.8530 4.9115 4.9356 4.9564 7.0920 7.1603 7.5437 7.5940 7.6368 7.6691 7.8589 7.8686 9.0333 9.0588 9.2379 9.2691 k = 0.3500 0.5000 0.2660 ( 3592 PWs) bands (ev): -8.5482 -8.5469 -8.4643 -8.4627 -8.1556 -8.1547 -7.9390 -7.9378 -7.5293 -7.5259 -7.3867 -7.3819 -7.2707 -7.2687 -7.1824 -7.1785 -3.0724 -3.0651 -2.8825 -2.8752 -2.3446 -2.3335 -2.2068 -2.1952 0.2891 0.2905 0.3311 0.3341 0.6288 0.6352 0.7482 0.7619 2.0322 2.0481 2.1556 2.1832 2.2117 2.2671 2.3676 2.4371 2.7799 2.8053 2.8673 2.9403 2.9763 3.0521 3.0872 3.1189 4.1751 4.2131 4.2947 4.3426 4.3913 4.4349 4.4633 4.5071 4.6179 4.6663 4.8153 4.8189 4.8642 4.9056 4.9316 4.9673 7.0682 7.1347 7.5212 7.5713 7.6064 7.6346 7.8445 7.8539 8.9998 9.0220 9.2571 9.2844 k = 0.3667 0.5000 0.2660 ( 3596 PWs) bands (ev): -8.5228 -8.5214 -8.4435 -8.4419 -8.1646 -8.1636 -7.9540 -7.9528 -7.5353 -7.5321 -7.3840 -7.3792 -7.2841 -7.2822 -7.1924 -7.1884 -3.0524 -3.0451 -2.8597 -2.8522 -2.3934 -2.3826 -2.2551 -2.2438 0.2817 0.2833 0.3307 0.3343 0.5884 0.5942 0.7087 0.7216 2.0826 2.0943 2.2099 2.2385 2.2665 2.3099 2.4199 2.4874 2.7763 2.8105 2.8572 2.9265 2.9640 3.0465 3.0869 3.1140 4.2090 4.2476 4.3228 4.3824 4.4250 4.4601 4.4928 4.5246 4.6271 4.6753 4.8103 4.8134 4.8723 4.8987 4.9291 4.9747 7.0477 7.1112 7.5020 7.5509 7.5780 7.6023 7.8317 7.8407 8.9659 8.9864 9.2684 9.2896 k = 0.3833 0.5000 0.2660 ( 3600 PWs) bands (ev): -8.4969 -8.4955 -8.4230 -8.4214 -8.1759 -8.1748 -7.9696 -7.9684 -7.5398 -7.5368 -7.3801 -7.3754 -7.2969 -7.2952 -7.2023 -7.1983 -3.0311 -3.0237 -2.8353 -2.8275 -2.4405 -2.4300 -2.3024 -2.2912 0.2763 0.2780 0.3330 0.3370 0.5503 0.5556 0.6702 0.6824 2.1292 2.1404 2.2628 2.2924 2.3242 2.3536 2.4719 2.5349 2.7672 2.8127 2.8468 2.9095 2.9499 3.0328 3.0815 3.1065 4.2422 4.2818 4.3494 4.4164 4.4529 4.4869 4.5239 4.5426 4.6338 4.6824 4.8041 4.8097 4.8775 4.8911 4.9270 4.9781 7.0306 7.0899 7.4859 7.5326 7.5520 7.5726 7.8204 7.8290 8.9339 8.9529 9.2672 9.2877 k = 0.4000 0.5000 0.2660 ( 3604 PWs) bands (ev): -8.4707 -8.4693 -8.4031 -8.4016 -8.1894 -8.1883 -7.9854 -7.9842 -7.5428 -7.5402 -7.3754 -7.3708 -7.3090 -7.3074 -7.2119 -7.2081 -3.0087 -3.0013 -2.8092 -2.8013 -2.4854 -2.4753 -2.3484 -2.3375 0.2729 0.2746 0.3377 0.3419 0.5151 0.5199 0.6334 0.6448 2.1711 2.1855 2.3137 2.3441 2.3823 2.3989 2.5233 2.5782 2.7542 2.8119 2.8362 2.8904 2.9344 3.0125 3.0708 3.0951 4.2741 4.3152 4.3749 4.4418 4.4768 4.5136 4.5539 4.5620 4.6380 4.6900 4.7972 4.8077 4.8796 4.8840 4.9239 4.9773 7.0169 7.0706 7.4729 7.5165 7.5287 7.5457 7.8108 7.8188 8.9053 8.9226 9.2601 9.2807 k = 0.4167 0.5000 0.2660 ( 3596 PWs) bands (ev): -8.4443 -8.4429 -8.3842 -8.3828 -8.2051 -8.2039 -8.0008 -7.9996 -7.5446 -7.5423 -7.3700 -7.3657 -7.3200 -7.3187 -7.2212 -7.2175 -2.9854 -2.9783 -2.7816 -2.7736 -2.5276 -2.5180 -2.3930 -2.3824 0.2718 0.2735 0.3447 0.3490 0.4831 0.4875 0.5988 0.6094 2.2091 2.2272 2.3629 2.3927 2.4374 2.4468 2.5735 2.6152 2.7390 2.8077 2.8270 2.8703 2.9186 2.9869 3.0546 3.0796 4.3046 4.3475 4.3989 4.4576 4.4990 4.5368 4.5791 4.5844 4.6386 4.7011 4.7904 4.8075 4.8747 4.8826 4.9191 4.9722 7.0066 7.0536 7.4628 7.5022 7.5086 7.5221 7.8030 7.8100 8.8805 8.8959 9.2534 9.2734 k = 0.4333 0.5000 0.2660 ( 3604 PWs) bands (ev): -8.4180 -8.4166 -8.3670 -8.3657 -8.2228 -8.2216 -8.0152 -8.0142 -7.5454 -7.5434 -7.3645 -7.3605 -7.3296 -7.3286 -7.2296 -7.2263 -2.9621 -2.9553 -2.7527 -2.7446 -2.5663 -2.5575 -2.4359 -2.4256 0.2728 0.2743 0.3536 0.3578 0.4549 0.4589 0.5668 0.5764 2.2429 2.2632 2.4099 2.4377 2.4860 2.4973 2.6212 2.6418 2.7239 2.7996 2.8220 2.8508 2.9039 2.9564 3.0336 3.0600 4.3330 4.3777 4.4204 4.4653 4.5187 4.5560 4.5947 4.6116 4.6347 4.7155 4.7849 4.8102 4.8675 4.8827 4.9121 4.9630 6.9994 7.0385 7.4553 7.4887 7.4928 7.5022 7.7966 7.8026 8.8600 8.8730 9.2489 9.2678 k = 0.4500 0.5000 0.2660 ( 3604 PWs) bands (ev): -8.3920 -8.3906 -8.3521 -8.3511 -8.2422 -8.2409 -8.0279 -8.0270 -7.5454 -7.5438 -7.3592 -7.3557 -7.3375 -7.3368 -7.2370 -7.2342 -2.9397 -2.9336 -2.7228 -2.7149 -2.6003 -2.5925 -2.4765 -2.4667 0.2755 0.2768 0.3639 0.3676 0.4312 0.4351 0.5382 0.5468 2.2722 2.2919 2.4547 2.4789 2.5297 2.5427 2.6521 2.6641 2.7137 2.7910 2.8208 2.8354 2.8932 2.9217 3.0092 3.0373 4.3592 4.4044 4.4376 4.4674 4.5352 4.5727 4.6041 4.6261 4.6387 4.7266 4.7849 4.8172 4.8601 4.8830 4.9032 4.9500 6.9954 7.0256 7.4504 7.4754 7.4821 7.4866 7.7920 7.7966 8.8442 8.8544 9.2470 9.2636 k = 0.4667 0.5000 0.2660 ( 3604 PWs) bands (ev): -8.3668 -8.3655 -8.3404 -8.3397 -8.2627 -8.2614 -8.0379 -8.0373 -7.5450 -7.5439 -7.3547 -7.3519 -7.3431 -7.3429 -7.2427 -7.2406 -2.9199 -2.9151 -2.6929 -2.6858 -2.6276 -2.6213 -2.5134 -2.5046 0.2791 0.2802 0.3740 0.3763 0.4138 0.4178 0.5145 0.5214 2.2960 2.3117 2.4963 2.5158 2.5660 2.5752 2.6462 2.6875 2.7218 2.7865 2.8126 2.8360 2.8837 2.8891 2.9846 3.0128 4.3830 4.4248 4.4475 4.4677 4.5498 4.5874 4.6079 4.6150 4.6630 4.7264 4.7940 4.8282 4.8529 4.8846 4.8932 4.9339 6.9942 7.0148 7.4480 7.4643 7.4746 7.4757 7.7889 7.7921 8.8334 8.8404 9.2472 9.2593 k = 0.4833 0.5000 0.2660 ( 3612 PWs) bands (ev): -8.3437 -8.3426 -8.3327 -8.3325 -8.2829 -8.2817 -8.0443 -8.0440 -7.5444 -7.5439 -7.3520 -7.3503 -7.3460 -7.3459 -7.2462 -7.2451 -2.9053 -2.9026 -2.6659 -2.6614 -2.6454 -2.6409 -2.5430 -2.5366 0.2825 0.2831 0.3801 0.3807 0.4058 0.4092 0.4983 0.5025 2.3130 2.3218 2.5334 2.5463 2.5830 2.5880 2.6427 2.6788 2.7559 2.7880 2.8012 2.8379 2.8563 2.8863 2.9681 2.9890 4.4038 4.4307 4.4545 4.4676 4.5649 4.5970 4.5996 4.6110 4.6842 4.7167 4.8080 4.8322 4.8547 4.8809 4.8908 4.9164 6.9957 7.0061 7.4480 7.4560 7.4696 7.4697 7.7874 7.7890 8.8276 8.8312 9.2485 9.2546 k = 0.5000 0.5000 0.2660 ( 3616 PWs) bands (ev): -8.3312 -8.3312 -8.3291 -8.3291 -8.2943 -8.2943 -8.0464 -8.0464 -7.5441 -7.5441 -7.3510 -7.3510 -7.3464 -7.3464 -7.2470 -7.2470 -2.8989 -2.8989 -2.6535 -2.6535 -2.6480 -2.6480 -2.5535 -2.5535 0.2841 0.2841 0.3809 0.3809 0.4064 0.4064 0.4938 0.4938 2.3220 2.3220 2.5590 2.5590 2.5810 2.5810 2.6595 2.6595 2.7883 2.7883 2.8022 2.8022 2.8733 2.8733 2.9709 2.9709 4.4206 4.4206 4.4633 4.4633 4.5811 4.5811 4.6071 4.6071 4.7022 4.7022 4.8219 4.8219 4.8683 4.8683 4.9008 4.9008 6.9997 6.9997 7.4506 7.4506 7.4678 7.4678 7.7875 7.7875 8.8268 8.8268 9.2508 9.2508 k = 0.5000 0.5000 0.2660 ( 3616 PWs) bands (ev): -8.3312 -8.3312 -8.3291 -8.3291 -8.2943 -8.2943 -8.0464 -8.0464 -7.5441 -7.5441 -7.3510 -7.3510 -7.3464 -7.3464 -7.2470 -7.2470 -2.8989 -2.8989 -2.6535 -2.6535 -2.6480 -2.6480 -2.5535 -2.5535 0.2841 0.2841 0.3809 0.3809 0.4064 0.4064 0.4938 0.4938 2.3220 2.3220 2.5590 2.5590 2.5810 2.5810 2.6595 2.6595 2.7883 2.7883 2.8022 2.8022 2.8733 2.8733 2.9709 2.9709 4.4206 4.4206 4.4633 4.4633 4.5811 4.5811 4.6071 4.6071 4.7022 4.7022 4.8219 4.8219 4.8683 4.8683 4.9008 4.9008 6.9997 6.9997 7.4506 7.4506 7.4678 7.4678 7.7875 7.7875 8.8268 8.8268 9.2508 9.2508 k = 0.4881 0.4881 0.2660 ( 3612 PWs) bands (ev): -8.3436 -8.3425 -8.3332 -8.3330 -8.2825 -8.2814 -8.0443 -8.0439 -7.5445 -7.5439 -7.3519 -7.3502 -7.3461 -7.3460 -7.2462 -7.2450 -2.9054 -2.9026 -2.6659 -2.6615 -2.6455 -2.6409 -2.5427 -2.5363 0.2825 0.2831 0.3801 0.3806 0.4057 0.4092 0.4985 0.5027 2.3128 2.3218 2.5338 2.5450 2.5839 2.5875 2.6422 2.6797 2.7640 2.7722 2.8098 2.8370 2.8528 2.8902 2.9665 2.9901 4.4036 4.4310 4.4540 4.4677 4.5643 4.5970 4.6001 4.6110 4.6841 4.7168 4.8082 4.8314 4.8562 4.8764 4.8949 4.9159 6.9956 7.0062 7.4477 7.4559 7.4693 7.4705 7.7874 7.7890 8.8276 8.8312 9.2479 9.2545 k = 0.4762 0.4762 0.2660 ( 3604 PWs) bands (ev): -8.3665 -8.3651 -8.3424 -8.3417 -8.2613 -8.2600 -8.0377 -8.0370 -7.5450 -7.5439 -7.3540 -7.3511 -7.3438 -7.3436 -7.2426 -7.2405 -2.9203 -2.9155 -2.6928 -2.6857 -2.6279 -2.6216 -2.5127 -2.5038 0.2790 0.2800 0.3741 0.3764 0.4137 0.4179 0.5151 0.5221 2.2953 2.3116 2.4986 2.5113 2.5680 2.5724 2.6462 2.6932 2.7402 2.7564 2.8111 2.8326 2.8803 2.9097 2.9758 3.0170 4.3835 4.4281 4.4444 4.4667 4.5457 4.5885 4.6060 4.6183 4.6640 4.7269 4.7953 4.8253 4.8538 4.8722 4.9081 4.9325 6.9938 7.0148 7.4456 7.4616 7.4746 7.4807 7.7890 7.7919 8.8337 8.8407 9.2421 9.2561 k = 0.4643 0.4643 0.2660 ( 3604 PWs) bands (ev): -8.3915 -8.3901 -8.3566 -8.3556 -8.2388 -8.2374 -8.0273 -8.0264 -7.5456 -7.5440 -7.3574 -7.3538 -7.3392 -7.3386 -7.2369 -7.2340 -2.9405 -2.9343 -2.7221 -2.7143 -2.6012 -2.5934 -2.4751 -2.4652 0.2751 0.2763 0.3641 0.3678 0.4311 0.4354 0.5396 0.5482 2.2705 2.2919 2.4602 2.4705 2.5292 2.5416 2.6570 2.6844 2.7335 2.7529 2.7763 2.8474 2.9142 2.9358 2.9919 3.0453 4.3623 4.4123 4.4338 4.4599 4.5223 4.5774 4.5988 4.6315 4.6457 4.7310 4.7839 4.8162 4.8441 4.8800 4.9246 4.9497 6.9939 7.0248 7.4422 7.4644 7.4866 7.4990 7.7920 7.7954 8.8449 8.8552 9.2325 9.2517 k = 0.4524 0.4524 0.2660 ( 3608 PWs) bands (ev): -8.4177 -8.4162 -8.3750 -8.3737 -8.2161 -8.2148 -8.0139 -8.0129 -7.5459 -7.5440 -7.3613 -7.3572 -7.3327 -7.3317 -7.2295 -7.2261 -2.9634 -2.9564 -2.7511 -2.7432 -2.5682 -2.5593 -2.4341 -2.4235 0.2719 0.2732 0.3539 0.3582 0.4549 0.4595 0.5694 0.5792 2.2397 2.2638 2.4179 2.4274 2.4827 2.4998 2.6479 2.6662 2.7319 2.7406 2.7676 2.8634 2.9403 2.9658 3.0107 3.0720 4.3414 4.3914 4.4171 4.4456 4.4920 4.5638 4.5870 4.6229 4.6489 4.7300 4.7730 4.8154 4.8318 4.8918 4.9414 4.9674 6.9951 7.0353 7.4374 7.4648 7.5046 7.5233 7.7962 7.7991 8.8615 8.8745 9.2214 9.2443 k = 0.4405 0.4405 0.2660 ( 3614 PWs) bands (ev): -8.4446 -8.4432 -8.3968 -8.3954 -8.1936 -8.1922 -7.9982 -7.9971 -7.5458 -7.5435 -7.3650 -7.3606 -7.3248 -7.3236 -7.2212 -7.2175 -2.9872 -2.9797 -2.7788 -2.7709 -2.5309 -2.5212 -2.3909 -2.3799 0.2702 0.2714 0.3450 0.3495 0.4837 0.4888 0.6032 0.6141 2.2040 2.2293 2.3704 2.3858 2.4321 2.4523 2.6095 2.6523 2.7050 2.7437 2.7841 2.8783 2.9602 2.9926 3.0302 3.0954 4.3210 4.3672 4.3956 4.4229 4.4549 4.5407 4.5785 4.6096 4.6533 4.7293 4.7651 4.8137 4.8294 4.9036 4.9585 4.9853 6.9968 7.0452 7.4312 7.4634 7.5263 7.5517 7.8012 7.8024 8.8832 8.8985 9.2103 9.2362 k = 0.4286 0.4286 0.2660 ( 3606 PWs) bands (ev): -8.4722 -8.4708 -8.4213 -8.4198 -8.1712 -8.1699 -7.9809 -7.9796 -7.5451 -7.5425 -7.3682 -7.3635 -7.3159 -7.3144 -7.2123 -7.2084 -3.0108 -3.0032 -2.8047 -2.7970 -2.4908 -2.4804 -2.3464 -2.3349 0.2703 0.2716 0.3380 0.3425 0.5168 0.5223 0.6404 0.6523 2.1645 2.1905 2.3203 2.3444 2.3788 2.4022 2.5658 2.6152 2.6955 2.7458 2.8011 2.8909 2.9744 3.0127 3.0487 3.1144 4.2999 4.3385 4.3710 4.3922 4.4140 4.5115 4.5718 4.5984 4.6506 4.7328 4.7631 4.8036 4.8417 4.9155 4.9757 5.0031 6.9981 7.0536 7.4237 7.4603 7.5496 7.5823 7.8041 7.8072 8.9094 8.9266 9.2005 9.2288 k = 0.4167 0.4167 0.2660 ( 3598 PWs) bands (ev): -8.5004 -8.4990 -8.4480 -8.4464 -8.1489 -8.1476 -7.9622 -7.9609 -7.5435 -7.5406 -7.3705 -7.3657 -7.3063 -7.3046 -7.2034 -7.1993 -3.0337 -3.0260 -2.8288 -2.8212 -2.4488 -2.4377 -2.3009 -2.2889 0.2722 0.2736 0.3332 0.3376 0.5536 0.5598 0.6805 0.6934 2.1221 2.1492 2.2692 2.3020 2.3241 2.3507 2.5191 2.5680 2.6916 2.7453 2.8154 2.9003 2.9831 3.0264 3.0642 3.1285 4.2747 4.3043 4.3404 4.3521 4.3797 4.4831 4.5625 4.5871 4.6469 4.7394 4.7678 4.7947 4.8582 4.9281 4.9929 5.0207 6.9982 7.0594 7.4148 7.4551 7.5720 7.6131 7.8046 7.8133 8.9395 8.9579 9.1923 9.2225 k = 0.4048 0.4048 0.2660 ( 3598 PWs) bands (ev): -8.5292 -8.5278 -8.4765 -8.4748 -8.1269 -8.1256 -7.9425 -7.9412 -7.5408 -7.5378 -7.3718 -7.3669 -7.2962 -7.2944 -7.1946 -7.1905 -3.0555 -3.0478 -2.8510 -2.8437 -2.4053 -2.3937 -2.2548 -2.2423 0.2759 0.2775 0.3308 0.3349 0.5939 0.6007 0.7232 0.7372 2.0778 2.1068 2.2182 2.2548 2.2724 2.2987 2.4704 2.5175 2.6869 2.7418 2.8258 2.9056 2.9865 3.0343 3.0747 3.1371 4.2419 4.2634 4.2967 4.3051 4.3618 4.4595 4.5500 4.5724 4.6489 4.7483 4.7763 4.7904 4.8766 4.9416 5.0099 5.0377 6.9968 7.0621 7.4045 7.4477 7.5916 7.6418 7.8032 7.8194 8.9716 8.9910 9.1857 9.2174 k = 0.3929 0.3929 0.2660 ( 3602 PWs) bands (ev): -8.5584 -8.5570 -8.5063 -8.5046 -8.1049 -8.1037 -7.9220 -7.9207 -7.5371 -7.5339 -7.3719 -7.3669 -7.2860 -7.2841 -7.1862 -7.1822 -3.0761 -3.0684 -2.8713 -2.8643 -2.3610 -2.3488 -2.2084 -2.1954 0.2813 0.2832 0.3308 0.3347 0.6374 0.6450 0.7681 0.7833 2.0327 2.0644 2.1674 2.1990 2.2286 2.2469 2.4202 2.4655 2.6798 2.7351 2.8316 2.9065 2.9853 3.0371 3.0800 3.1402 4.2015 4.2144 4.2436 4.2565 4.3546 4.4413 4.5353 4.5537 4.6582 4.7600 4.7808 4.7986 4.8962 4.9564 5.0267 5.0542 6.9935 7.0613 7.3926 7.4380 7.6065 7.6663 7.8003 7.8253 9.0034 9.0237 9.1804 9.2134 k = 0.3810 0.3810 0.2660 ( 3602 PWs) bands (ev): -8.5881 -8.5867 -8.5371 -8.5354 -8.0831 -8.0819 -7.9009 -7.8996 -7.5321 -7.5288 -7.3706 -7.3656 -7.2758 -7.2739 -7.1785 -7.1745 -3.0953 -3.0878 -2.8899 -2.8832 -2.3161 -2.3033 -2.1620 -2.1485 0.2881 0.2904 0.3336 0.3372 0.6838 0.6923 0.8148 0.8314 1.9877 2.0226 2.1170 2.1397 2.1886 2.1964 2.3694 2.4131 2.6698 2.7248 2.8322 2.9026 2.9802 3.0352 3.0802 3.1382 4.1541 4.1600 4.1872 4.2058 4.3525 4.4270 4.5187 4.5324 4.6730 4.7734 4.7872 4.8151 4.9165 4.9722 5.0432 5.0701 6.9884 7.0572 7.3794 7.4261 7.6160 7.6845 7.7963 7.8304 9.0311 9.0529 9.1760 9.2101 k = 0.3690 0.3690 0.2660 ( 3598 PWs) bands (ev): -8.6181 -8.6167 -8.5688 -8.5671 -8.0614 -8.0603 -7.8791 -7.8778 -7.5260 -7.5225 -7.3680 -7.3630 -7.2657 -7.2639 -7.1715 -7.1675 -3.1132 -3.1060 -2.9068 -2.9004 -2.2711 -2.2576 -2.1160 -2.1019 0.2960 0.2986 0.3392 0.3424 0.7328 0.7423 0.8629 0.8808 1.9434 1.9819 2.0666 2.0801 2.1461 2.1532 2.3187 2.3610 2.6568 2.7111 2.8278 2.8939 2.9717 3.0288 3.0762 3.1316 4.0946 4.1103 4.1286 4.1538 4.3519 4.4141 4.5006 4.5098 4.6919 4.7857 4.8041 4.8351 4.9378 4.9888 5.0598 5.0857 6.9816 7.0499 7.3650 7.4120 7.6198 7.6946 7.7924 7.8340 9.0483 9.0734 9.1723 9.2075 k = 0.3571 0.3571 0.2660 ( 3588 PWs) bands (ev): -8.6483 -8.6470 -8.6011 -8.5994 -8.0398 -8.0388 -7.8568 -7.8556 -7.5186 -7.5150 -7.3641 -7.3591 -7.2560 -7.2542 -7.1653 -7.1615 -3.1299 -3.1228 -2.9222 -2.9161 -2.2261 -2.2120 -2.0705 -2.0558 0.3048 0.3076 0.3480 0.3507 0.7838 0.7944 0.9117 0.9311 1.9003 1.9427 2.0153 2.0234 2.1008 2.1184 2.2691 2.3102 2.6409 2.6941 2.8186 2.8809 2.9601 3.0181 3.0687 3.1211 4.0314 4.0599 4.0697 4.1014 4.3501 4.4007 4.4808 4.4864 4.7134 4.8007 4.8281 4.8575 4.9602 5.0058 5.0765 5.1012 6.9735 7.0399 7.3496 7.3962 7.6185 7.6960 7.7889 7.8352 9.0486 9.0789 9.1697 9.2053 k = 0.3452 0.3452 0.2660 ( 3580 PWs) bands (ev): -8.6787 -8.6774 -8.6338 -8.6321 -8.0184 -8.0174 -7.8340 -7.8329 -7.5099 -7.5063 -7.3588 -7.3538 -7.2467 -7.2449 -7.1600 -7.1564 -3.1453 -3.1386 -2.9362 -2.9305 -2.1816 -2.1668 -2.0259 -2.0106 0.3141 0.3171 0.3598 0.3619 0.8361 0.8481 0.9603 0.9813 1.8587 1.9039 1.9625 1.9728 2.0590 2.0869 2.2214 2.2616 2.6221 2.6741 2.8049 2.8637 2.9455 3.0036 3.0582 3.1075 3.9678 4.0031 4.0167 4.0492 4.3454 4.3856 4.4590 4.4629 4.7361 4.8209 4.8542 4.8826 4.9837 5.0231 5.0937 5.1169 6.9645 7.0278 7.3334 7.3787 7.6132 7.6897 7.7848 7.8331 9.0297 9.0648 9.1630 9.1975 k = 0.3333 0.3333 0.2660 ( 3586 PWs) bands (ev): -8.7091 -8.7078 -8.6667 -8.6651 -7.9972 -7.9963 -7.8109 -7.8098 -7.5001 -7.4965 -7.3522 -7.3472 -7.2379 -7.2361 -7.1557 -7.1522 -3.1599 -3.1535 -2.9490 -2.9437 -2.1377 -2.1223 -1.9825 -1.9666 0.3239 0.3272 0.3744 0.3763 0.8889 0.9026 1.0076 1.0302 1.8189 1.8637 1.9148 1.9269 2.0217 2.0589 2.1767 2.2162 2.6006 2.6516 2.7872 2.8430 2.9279 2.9858 3.0448 3.0912 3.9048 3.9428 3.9685 3.9977 4.3368 4.3682 4.4348 4.4396 4.7588 4.8454 4.8780 4.9120 5.0082 5.0406 5.1112 5.1335 6.9549 7.0141 7.3167 7.3602 7.6047 7.6779 7.7789 7.8274 8.9963 9.0336 9.1424 9.1739 k = 0.3214 0.3214 0.2660 ( 3586 PWs) bands (ev): -8.7395 -8.7382 -8.6997 -8.6980 -7.9762 -7.9753 -7.7874 -7.7863 -7.4892 -7.4855 -7.3442 -7.3394 -7.2295 -7.2278 -7.1522 -7.1491 -3.1735 -3.1675 -2.9608 -2.9560 -2.0948 -2.0786 -1.9405 -1.9240 0.3344 0.3381 0.3912 0.3934 0.9411 0.9566 1.0522 1.0763 1.7818 1.8209 1.8766 1.8863 1.9898 2.0348 2.1362 2.1754 2.5769 2.6271 2.7662 2.8194 2.9075 2.9655 3.0284 3.0728 3.8435 3.8829 3.9226 3.9478 4.3244 4.3487 4.4092 4.4156 4.7804 4.8720 4.8983 4.9454 5.0322 5.0597 5.1294 5.1519 6.9453 6.9994 7.3001 7.3411 7.5944 7.6628 7.7701 7.8183 8.9546 8.9918 9.1105 9.1335 k = 0.3095 0.3095 0.2660 ( 3586 PWs) bands (ev): -8.7697 -8.7685 -8.7325 -8.7309 -7.9555 -7.9547 -7.7635 -7.7625 -7.4772 -7.4735 -7.3351 -7.3303 -7.2216 -7.2199 -7.1497 -7.1468 -3.1866 -3.1810 -2.9719 -2.9675 -2.0530 -2.0361 -1.9003 -1.8831 0.3456 0.3499 0.4100 0.4131 0.9908 1.0086 1.0920 1.1175 1.7488 1.7789 1.8451 1.8537 1.9644 2.0153 2.1009 2.1399 2.5513 2.6012 2.7423 2.7937 2.8848 2.9433 3.0092 3.0525 3.7845 3.8245 3.8789 3.8997 4.3084 4.3270 4.3827 4.3906 4.8001 4.8958 4.9184 4.9797 5.0534 5.0821 5.1482 5.1724 6.9361 6.9843 7.2838 7.3220 7.5832 7.6459 7.7583 7.8059 8.9094 8.9450 9.0733 9.0905 k = 0.2976 0.2976 0.2660 ( 3588 PWs) bands (ev): -8.7997 -8.7985 -8.7651 -8.7636 -7.9351 -7.9343 -7.7394 -7.7385 -7.4643 -7.4606 -7.3248 -7.3201 -7.2141 -7.2125 -7.1480 -7.1454 -3.1992 -3.1940 -2.9823 -2.9784 -2.0127 -1.9951 -1.8620 -1.8442 0.3577 0.3628 0.4306 0.4347 1.0361 1.0567 1.1248 1.1513 1.7229 1.7432 1.8170 1.8311 1.9470 2.0012 2.0713 2.1104 2.5246 2.5746 2.7162 2.7666 2.8603 2.9198 2.9874 3.0304 3.7282 3.7679 3.8377 3.8540 4.2892 4.3035 4.3553 4.3645 4.8173 4.9109 4.9428 5.0115 5.0729 5.1075 5.1686 5.1951 6.9276 6.9694 7.2683 7.3034 7.5720 7.6286 7.7436 7.7908 8.8635 8.8969 9.0327 9.0461 k = 0.2857 0.2857 0.2660 ( 3588 PWs) bands (ev): -8.8293 -8.8281 -8.7973 -8.7958 -7.9152 -7.9145 -7.7152 -7.7144 -7.4505 -7.4468 -7.3135 -7.3088 -7.2070 -7.2054 -7.1471 -7.1447 -3.2115 -3.2068 -2.9924 -2.9889 -1.9740 -1.9557 -1.8260 -1.8075 0.3708 0.3769 0.4529 0.4582 1.0743 1.0982 1.1480 1.1750 1.7075 1.7179 1.7940 1.8160 1.9388 1.9937 2.0479 2.0873 2.4972 2.5479 2.6885 2.7390 2.8348 2.8955 2.9636 3.0069 3.6749 3.7136 3.7989 3.8110 4.2674 4.2784 4.3273 4.3375 4.8315 4.9192 4.9683 5.0363 5.0943 5.1334 5.1910 5.2192 6.9200 6.9552 7.2541 7.2859 7.5618 7.6118 7.7267 7.7738 8.8188 8.8495 8.9892 9.0004 k = 0.2738 0.2738 0.2660 ( 3594 PWs) bands (ev): -8.8584 -8.8573 -8.8290 -8.8275 -7.8957 -7.8950 -7.6908 -7.6901 -7.4360 -7.4323 -7.3013 -7.2967 -7.2002 -7.1986 -7.1468 -7.1446 -3.2237 -3.2195 -3.0022 -2.9992 -1.9374 -1.9184 -1.7923 -1.7733 0.3850 0.3923 0.4767 0.4832 1.1025 1.1303 1.1603 1.1867 1.7040 1.7073 1.7767 1.8085 1.9403 1.9932 2.0305 2.0707 2.4699 2.5217 2.6600 2.7117 2.8090 2.8708 2.9381 2.9823 3.6247 3.6616 3.7621 3.7711 4.2430 4.2522 4.2986 4.3097 4.8426 4.9234 4.9910 5.0524 5.1193 5.1585 5.2155 5.2437 6.9131 6.9422 7.2412 7.2699 7.5530 7.5962 7.7081 7.7552 8.7761 8.8036 8.9439 8.9540 k = 0.2619 0.2619 0.2660 ( 3598 PWs) bands (ev): -8.8870 -8.8859 -8.8600 -8.8586 -7.8767 -7.8762 -7.6664 -7.6659 -7.4208 -7.4171 -7.2882 -7.2837 -7.1939 -7.1922 -7.1470 -7.1450 -3.2360 -3.2323 -3.0120 -3.0095 -1.9028 -1.8832 -1.7614 -1.7418 0.4005 0.4090 0.5017 0.5096 1.1175 1.1495 1.1636 1.1878 1.7044 1.7199 1.7651 1.8102 1.9504 1.9984 2.0198 2.0615 2.4439 2.4968 2.6316 2.6858 2.7837 2.8466 2.9119 2.9574 3.5777 3.6120 3.7264 3.7351 4.2164 4.2254 4.2695 4.2812 4.8508 4.9247 5.0096 5.0620 5.1453 5.1826 5.2408 5.2677 6.9065 6.9312 7.2302 7.2562 7.5461 7.5823 7.6885 7.7357 8.7363 8.7603 8.8976 8.9075 k = 0.2500 0.2500 0.2660 ( 3594 PWs) bands (ev): -8.9150 -8.9139 -8.8903 -8.8890 -7.8585 -7.8580 -7.6421 -7.6417 -7.4051 -7.4014 -7.2744 -7.2700 -7.1880 -7.1860 -7.1475 -7.1453 -3.2485 -3.2454 -3.0219 -3.0198 -1.8707 -1.8505 -1.7332 -1.7132 0.4172 0.4272 0.5281 0.5374 1.1160 1.1519 1.1616 1.1853 1.7120 1.7425 1.7626 1.8234 1.9658 2.0001 2.0224 2.0613 2.4205 2.4742 2.6047 2.6623 2.7599 2.8236 2.8860 2.9329 3.5337 3.5648 3.6915 3.7030 4.1881 4.1982 4.2401 4.2524 4.8561 4.9236 5.0238 5.0675 5.1695 5.2053 5.2656 5.2901 6.8995 6.9228 7.2211 7.2452 7.5413 7.5707 7.6686 7.7158 8.6996 8.7196 8.8513 8.8613 k = 0.2381 0.2381 0.2660 ( 3590 PWs) bands (ev): -8.9422 -8.9412 -8.9198 -8.9185 -7.8409 -7.8405 -7.6180 -7.6177 -7.3890 -7.3854 -7.2602 -7.2559 -7.1826 -7.1803 -7.1479 -7.1453 -3.2613 -3.2587 -3.0319 -3.0303 -1.8412 -1.8204 -1.7079 -1.6875 0.4354 0.4468 0.5555 0.5664 1.1002 1.1383 1.1561 1.1837 1.7219 1.7483 1.7905 1.8485 1.9806 1.9949 2.0383 2.0719 2.4012 2.4552 2.5807 2.6424 2.7387 2.8025 2.8620 2.9102 3.4928 3.5198 3.6579 3.6737 4.1586 4.1707 4.2106 4.2234 4.8590 4.9204 5.0338 5.0703 5.1907 5.2259 5.2885 5.3102 6.8915 6.9173 7.2138 7.2374 7.5384 7.5615 7.6489 7.6957 8.6659 8.6814 8.8054 8.8155 k = 0.2262 0.2262 0.2660 ( 3574 PWs) bands (ev): -8.9685 -8.9676 -8.9484 -8.9471 -7.8243 -7.8238 -7.5942 -7.5941 -7.3726 -7.3690 -7.2456 -7.2414 -7.1781 -7.1753 -7.1475 -7.1443 -3.2745 -3.2724 -3.0423 -3.0411 -1.8144 -1.7932 -1.6856 -1.6650 0.4550 0.4681 0.5841 0.5965 1.0767 1.1151 1.1489 1.1794 1.7312 1.7482 1.8324 1.8816 1.9881 1.9901 2.0598 2.0905 2.3883 2.4419 2.5615 2.6277 2.7214 2.7838 2.8418 2.8907 3.4546 3.4770 3.6258 3.6465 4.1283 4.1431 4.1815 4.1947 4.8597 4.9157 5.0405 5.0713 5.2083 5.2437 5.3087 5.3274 6.8830 6.9137 7.2084 7.2328 7.5367 7.5549 7.6306 7.6760 8.6350 8.6455 8.7607 8.7706 k = 0.2143 0.2143 0.2660 ( 3582 PWs) bands (ev): -8.9940 -8.9931 -8.9759 -8.9747 -7.8085 -7.8081 -7.5711 -7.5708 -7.3562 -7.3526 -7.2311 -7.2268 -7.1747 -7.1714 -7.1457 -7.1419 -3.2883 -3.2867 -3.0531 -3.0522 -1.7905 -1.7691 -1.6664 -1.6457 0.4761 0.4909 0.6137 0.6276 1.0505 1.0888 1.1395 1.1718 1.7380 1.7502 1.8743 1.9154 1.9810 1.9949 2.0828 2.1102 2.3836 2.4364 2.5488 2.6198 2.7093 2.7675 2.8286 2.8761 3.4190 3.4362 3.5951 3.6209 4.0978 4.1155 4.1532 4.1666 4.8584 4.9093 5.0443 5.0706 5.2217 5.2577 5.3253 5.3408 6.8743 6.9110 7.2048 7.2313 7.5340 7.5507 7.6150 7.6567 8.6060 8.6113 8.7179 8.7271 k = 0.2024 0.2024 0.2660 ( 3586 PWs) bands (ev): -9.0185 -9.0177 -9.0023 -9.0012 -7.7938 -7.7933 -7.5486 -7.5481 -7.3397 -7.3363 -7.2172 -7.2127 -7.1722 -7.1684 -7.1417 -7.1376 -3.3026 -3.3014 -3.0643 -3.0637 -1.7697 -1.7481 -1.6502 -1.6295 0.4989 0.5154 0.6443 0.6598 1.0244 1.0626 1.1289 1.1625 1.7410 1.7551 1.9067 1.9412 1.9760 1.9994 2.1019 2.1253 2.3881 2.4408 2.5444 2.6202 2.7041 2.7539 2.8255 2.8690 3.3857 3.3977 3.5657 3.5965 4.0675 4.0883 4.1261 4.1397 4.8555 4.9018 5.0458 5.0686 5.2309 5.2677 5.3378 5.3504 6.8657 6.9084 7.2028 7.2325 7.5279 7.5480 7.6050 7.6385 8.5751 8.5803 8.6780 8.6865 k = 0.1905 0.1905 0.2660 ( 3582 PWs) bands (ev): -9.0420 -9.0412 -9.0276 -9.0265 -7.7802 -7.7796 -7.5270 -7.5262 -7.3234 -7.3201 -7.2050 -7.2000 -7.1696 -7.1648 -7.1357 -7.1316 -3.3173 -3.3166 -3.0759 -3.0755 -1.7519 -1.7304 -1.6370 -1.6164 0.5233 0.5415 0.6759 0.6929 1.0002 1.0380 1.1187 1.1530 1.7409 1.7611 1.9141 1.9538 1.9800 2.0082 2.1140 2.1334 2.4010 2.4555 2.5489 2.6296 2.7069 2.7449 2.8347 2.8719 3.3543 3.3618 3.5374 3.5733 4.0379 4.0619 4.1009 4.1146 4.8514 4.8933 5.0456 5.0655 5.2360 5.2734 5.3460 5.3560 6.8573 6.9054 7.2020 7.2356 7.5160 7.5450 7.6028 7.6225 8.5401 8.5515 8.6425 8.6503 k = 0.1786 0.1786 0.2660 ( 3590 PWs) bands (ev): -9.0643 -9.0636 -9.0516 -9.0507 -7.7676 -7.7670 -7.5063 -7.5053 -7.3074 -7.3042 -7.1964 -7.1909 -7.1642 -7.1584 -7.1283 -7.1244 -3.3324 -3.3321 -3.0880 -3.0875 -1.7372 -1.7159 -1.6265 -1.6063 0.5494 0.5694 0.7084 0.7268 0.9792 1.0162 1.1098 1.1444 1.7383 1.7656 1.8990 1.9475 1.9946 2.0170 2.1182 2.1341 2.4198 2.4779 2.5617 2.6451 2.7191 2.7455 2.8564 2.8872 3.3231 3.3304 3.5102 3.5510 4.0095 4.0367 4.0782 4.0920 4.8462 4.8842 5.0439 5.0616 5.2367 5.2748 5.3496 5.3575 6.8488 6.9014 7.2018 7.2396 7.4981 7.5387 7.6062 7.6115 8.5020 8.5195 8.6128 8.6198 k = 0.1667 0.1667 0.2660 ( 3592 PWs) bands (ev): -9.0855 -9.0848 -9.0744 -9.0735 -7.7562 -7.7555 -7.4868 -7.4855 -7.2919 -7.2887 -7.1919 -7.1867 -7.1541 -7.1484 -7.1200 -7.1161 -3.3479 -3.3478 -3.1004 -3.0996 -1.7255 -1.7046 -1.6186 -1.5989 0.5771 0.5988 0.7418 0.7614 0.9619 0.9978 1.1032 1.1378 1.7328 1.7675 1.8742 1.9294 2.0062 2.0201 2.1156 2.1280 2.4417 2.5048 2.5800 2.6600 2.7421 2.7630 2.8894 2.9159 3.2918 3.3039 3.4841 3.5297 3.9831 4.0134 4.0588 4.0725 4.8402 4.8746 5.0411 5.0570 5.2335 5.2721 5.3489 5.3554 6.8400 6.8963 7.2015 7.2436 7.4758 7.5263 7.6038 7.6172 8.4611 8.4827 8.5903 8.5953 k = 0.1548 0.1548 0.2660 ( 3588 PWs) bands (ev): -9.1054 -9.1048 -9.0958 -9.0949 -7.7458 -7.7452 -7.4686 -7.4670 -7.2768 -7.2738 -7.1901 -7.1856 -7.1411 -7.1359 -7.1109 -7.1072 -3.3638 -3.3634 -3.1129 -3.1119 -1.7167 -1.6964 -1.6131 -1.5941 0.6064 0.6299 0.7761 0.7964 0.9491 0.9832 1.0992 1.1335 1.7240 1.7657 1.8440 1.9041 2.0100 2.0169 2.1074 2.1161 2.4646 2.5337 2.6000 2.6703 2.7767 2.7996 2.9313 2.9569 3.2625 3.2808 3.4592 3.5093 3.9596 3.9929 4.0436 4.0572 4.8338 4.8649 5.0372 5.0517 5.2264 5.2652 5.3438 5.3495 6.8308 6.8898 7.2003 7.2463 7.4503 7.5068 7.6048 7.6284 8.4180 8.4419 8.5740 8.5759 k = 0.1429 0.1429 0.2660 ( 3592 PWs) bands (ev): -9.1241 -9.1235 -9.1158 -9.1150 -7.7366 -7.7359 -7.4519 -7.4501 -7.2624 -7.2595 -7.1893 -7.1853 -7.1272 -7.1225 -7.1014 -7.0979 -3.3797 -3.3791 -3.1254 -3.1243 -1.7106 -1.6910 -1.6097 -1.5914 0.6372 0.6623 0.8111 0.8313 0.9413 0.9723 1.0983 1.1320 1.7115 1.7594 1.8106 1.8737 2.0060 2.0094 2.0946 2.0995 2.4874 2.5632 2.6196 2.6798 2.8206 2.8490 2.9794 3.0072 3.2361 3.2608 3.4358 3.4900 3.9400 3.9761 4.0331 4.0465 4.8270 4.8551 5.0324 5.0459 5.2153 5.2542 5.3348 5.3400 6.8209 6.8818 7.1970 7.2466 7.4221 7.4816 7.6100 7.6406 8.3737 8.3987 8.5601 8.5624 k = 0.1310 0.1310 0.2660 ( 3590 PWs) bands (ev): -9.1414 -9.1408 -9.1343 -9.1336 -7.7285 -7.7278 -7.4369 -7.4347 -7.2487 -7.2459 -7.1887 -7.1850 -7.1132 -7.1089 -7.0917 -7.0882 -3.3954 -3.3946 -3.1378 -3.1366 -1.7068 -1.6882 -1.6080 -1.5907 0.6693 0.6960 0.8468 0.8647 0.9396 0.9652 1.1003 1.1332 1.6955 1.7480 1.7752 1.8396 1.9947 2.0001 2.0775 2.0801 2.5095 2.5917 2.6394 2.6923 2.8701 2.9036 3.0311 3.0629 3.2134 3.2438 3.4140 3.4717 3.9256 3.9641 4.0283 4.0415 4.8199 4.8453 5.0264 5.0393 5.2011 5.2398 5.3223 5.3272 6.8103 6.8722 7.1911 7.2435 7.3921 7.4521 7.6175 7.6529 8.3302 8.3554 8.5474 8.5534 k = 0.1190 0.1190 0.2660 ( 3594 PWs) bands (ev): -9.1573 -9.1568 -9.1514 -9.1507 -7.7214 -7.7207 -7.4235 -7.4212 -7.2358 -7.2332 -7.1878 -7.1843 -7.0996 -7.0957 -7.0818 -7.0786 -3.4106 -3.4097 -3.1499 -3.1486 -1.7052 -1.6878 -1.6078 -1.5916 0.7026 0.7306 0.8828 0.8927 0.9476 0.9618 1.1053 1.1370 1.6761 1.7301 1.7400 1.8030 1.9797 1.9876 2.0558 2.0600 2.5306 2.6175 2.6600 2.7096 2.9210 2.9575 3.0834 3.1199 3.1956 3.2301 3.3943 3.4546 3.9183 3.9584 4.0296 4.0425 4.8126 4.8359 5.0190 5.0316 5.1839 5.2224 5.3066 5.3116 6.7988 6.8609 7.1815 7.2356 7.3610 7.4198 7.6262 7.6646 8.2884 8.3131 8.5347 8.5456 k = 0.1071 0.1071 0.2660 ( 3584 PWs) bands (ev): -9.1719 -9.1714 -9.1669 -9.1663 -7.7152 -7.7145 -7.4120 -7.4095 -7.2238 -7.2215 -7.1865 -7.1831 -7.0867 -7.0831 -7.0721 -7.0691 -3.4253 -3.4243 -3.1614 -3.1602 -1.7052 -1.6891 -1.6086 -1.5937 0.7368 0.7660 0.9103 0.9187 0.9616 0.9700 1.1128 1.1433 1.6539 1.6981 1.7139 1.7651 1.9628 1.9724 2.0324 2.0388 2.5505 2.6391 2.6818 2.7319 2.9698 3.0068 3.1305 3.1721 3.1887 3.2202 3.3771 3.4389 3.9197 3.9605 4.0374 4.0502 4.8051 4.8270 5.0096 5.0224 5.1646 5.2030 5.2880 5.2941 6.7865 6.8476 7.1675 7.2219 7.3304 7.3864 7.6352 7.6752 8.2499 8.2732 8.5155 8.5387 k = 0.0952 0.0952 0.2660 ( 3584 PWs) bands (ev): -9.1850 -9.1846 -9.1809 -9.1804 -7.7100 -7.7093 -7.4022 -7.3997 -7.2128 -7.2107 -7.1846 -7.1813 -7.0746 -7.0714 -7.0627 -7.0600 -3.4391 -3.4380 -3.1724 -3.1711 -1.7066 -1.6919 -1.6104 -1.5968 0.7715 0.8015 0.9212 0.9499 0.9694 1.0016 1.1226 1.1515 1.6294 1.6611 1.6886 1.7267 1.9446 1.9553 2.0086 2.0168 2.5690 2.6560 2.7046 2.7571 3.0142 3.0492 3.1531 3.1952 3.2150 3.2290 3.3630 3.4247 3.9316 3.9715 4.0515 4.0643 4.7972 4.8189 4.9972 5.0106 5.1443 5.1831 5.2669 5.2752 6.7733 6.8326 7.1483 7.2015 7.3019 7.3540 7.6440 7.6841 8.2151 8.2363 8.4819 8.5162 k = 0.0833 0.0833 0.2660 ( 3580 PWs) bands (ev): -9.1966 -9.1962 -9.1933 -9.1929 -7.7056 -7.7049 -7.3940 -7.3916 -7.2029 -7.2009 -7.1822 -7.1791 -7.0635 -7.0608 -7.0538 -7.0514 -3.4519 -3.4508 -3.1825 -3.1813 -1.7088 -1.6958 -1.6126 -1.6005 0.8063 0.8368 0.9307 0.9621 0.9979 1.0367 1.1340 1.1612 1.6031 1.6244 1.6600 1.6890 1.9259 1.9370 1.9855 1.9948 2.5860 2.6684 2.7278 2.7826 3.0528 3.0839 3.1547 3.2002 3.2423 3.2693 3.3525 3.4119 3.9549 3.9922 4.0713 4.0842 4.7888 4.8118 4.9802 4.9951 5.1247 5.1645 5.2441 5.2557 6.7597 6.8158 7.1244 7.1745 7.2771 7.3244 7.6523 7.6913 8.1845 8.2031 8.4391 8.4634 k = 0.0714 0.0714 0.2660 ( 3580 PWs) bands (ev): -9.2067 -9.2064 -9.2041 -9.2037 -7.7019 -7.7013 -7.3875 -7.3852 -7.1941 -7.1924 -7.1795 -7.1766 -7.0537 -7.0514 -7.0455 -7.0435 -3.4634 -3.4624 -3.1916 -3.1905 -1.7116 -1.7002 -1.6151 -1.6045 0.8408 0.8709 0.9404 0.9683 1.0333 1.0724 1.1466 1.1716 1.5760 1.5892 1.6283 1.6528 1.9075 1.9183 1.9639 1.9735 2.6014 2.6766 2.7508 2.8060 3.0849 3.1114 3.1561 3.1972 3.2749 3.3019 3.3459 3.4006 3.9892 4.0221 4.0955 4.1085 4.7797 4.8058 4.9574 4.9749 5.1075 5.1487 5.2204 5.2362 6.7461 6.7978 7.0972 7.1424 7.2566 7.2988 7.6600 7.6965 8.1579 8.1735 8.3950 8.4128 k = 0.0595 0.0595 0.2660 ( 3576 PWs) bands (ev): -9.2153 -9.2151 -9.2133 -9.2129 -7.6989 -7.6984 -7.3823 -7.3803 -7.1866 -7.1850 -7.1766 -7.1739 -7.0451 -7.0433 -7.0381 -7.0365 -3.4734 -3.4725 -3.1996 -3.1986 -1.7145 -1.7049 -1.6175 -1.6086 0.8741 0.9030 0.9505 0.9742 1.0688 1.1071 1.1596 1.1822 1.5488 1.5566 1.5949 1.6184 1.8901 1.9000 1.9445 1.9537 2.6152 2.6809 2.7727 2.8255 3.1104 3.1333 3.1599 3.1941 3.3008 3.3255 3.3435 3.3906 4.0323 4.0597 4.1225 4.1355 4.7701 4.8009 4.9283 4.9500 5.0939 5.1366 5.1970 5.2173 6.7332 6.7791 7.0690 7.1080 7.2405 7.2768 7.6669 7.6998 8.1350 8.1475 8.3543 8.3683 k = 0.0476 0.0476 0.2660 ( 3576 PWs) bands (ev): -9.2224 -9.2222 -9.2208 -9.2205 -7.6966 -7.6961 -7.3783 -7.3767 -7.1804 -7.1790 -7.1737 -7.1714 -7.0380 -7.0366 -7.0317 -7.0305 -3.4819 -3.4812 -3.2063 -3.2055 -1.7171 -1.7094 -1.6197 -1.6125 0.9055 0.9317 0.9606 0.9796 1.1030 1.1392 1.1725 1.1920 1.5226 1.5281 1.5617 1.5856 1.8744 1.8831 1.9280 1.9361 2.6275 2.6820 2.7929 2.8403 3.1298 3.1508 3.1655 3.1911 3.3188 3.3413 3.3453 3.3820 4.0804 4.1016 4.1502 4.1626 4.7605 4.7973 4.8944 4.9219 5.0847 5.1276 5.1757 5.2000 6.7219 6.7606 7.0429 7.0748 7.2283 7.2583 7.6732 7.7012 8.1158 8.1254 8.3205 8.3321 k = 0.0357 0.0357 0.2660 ( 3582 PWs) bands (ev): -9.2279 -9.2278 -9.2267 -9.2265 -7.6948 -7.6945 -7.3754 -7.3741 -7.1757 -7.1745 -7.1709 -7.1691 -7.0325 -7.0315 -7.0265 -7.0257 -3.4887 -3.4881 -3.2117 -3.2110 -1.7193 -1.7134 -1.6214 -1.6159 0.9336 0.9553 0.9701 0.9840 1.1349 1.1667 1.1846 1.2001 1.4993 1.5053 1.5310 1.5547 1.8614 1.8683 1.9148 1.9213 2.6384 2.6803 2.8110 2.8497 3.1445 3.1643 3.1716 3.1880 3.3297 3.3505 3.3508 3.3747 4.1282 4.1436 4.1761 4.1869 4.7517 4.7945 4.8589 4.8930 5.0793 5.1192 5.1593 5.1846 6.7131 6.7433 7.0210 7.0453 7.2197 7.2428 7.6788 7.7009 8.1003 8.1071 8.2949 8.3042 k = 0.0238 0.0238 0.2660 ( 3588 PWs) bands (ev): -9.2318 -9.2317 -9.2308 -9.2307 -7.6935 -7.6933 -7.3733 -7.3725 -7.1724 -7.1716 -7.1684 -7.1672 -7.0284 -7.0278 -7.0227 -7.0221 -3.4935 -3.4931 -3.2155 -3.2151 -1.7207 -1.7168 -1.6225 -1.6188 0.9572 0.9718 0.9788 0.9868 1.1630 1.1869 1.1954 1.2058 1.4817 1.4898 1.5049 1.5269 1.8518 1.8567 1.9054 1.9100 2.6480 2.6765 2.8265 2.8540 3.1557 3.1731 3.1774 3.1850 3.3369 3.3544 3.3568 3.3692 4.1702 4.1801 4.1975 4.2056 4.7457 4.7891 4.8299 4.8661 5.0779 5.1087 5.1509 5.1716 6.7075 6.7283 7.0053 7.0216 7.2147 7.2304 7.6839 7.6992 8.0889 8.0933 8.2778 8.2844 k = 0.0119 0.0119 0.2660 ( 3580 PWs) bands (ev): -9.2342 -9.2341 -9.2333 -9.2333 -7.6928 -7.6927 -7.3721 -7.3716 -7.1704 -7.1701 -7.1666 -7.1660 -7.0259 -7.0256 -7.0203 -7.0200 -3.4964 -3.4962 -3.2178 -3.2176 -1.7212 -1.7192 -1.6228 -1.6209 0.9745 0.9808 0.9850 0.9875 1.1851 1.1981 1.2028 1.2081 1.4725 1.4821 1.4869 1.5042 1.8464 1.8489 1.9001 1.9025 2.6567 2.6710 2.8390 2.8532 3.1643 3.1750 3.1819 3.1838 3.3430 3.3532 3.3615 3.3662 4.2006 4.2055 4.2118 4.2162 4.7460 4.7732 4.8209 4.8440 5.0806 5.0970 5.1500 5.1614 6.7061 6.7167 6.9971 7.0053 7.2134 7.2213 7.6886 7.6964 8.0822 8.0843 8.2686 8.2720 k = 0.0000 0.0000 0.2660 ( 3580 PWs) bands (ev): -9.2350 -9.2350 -9.2341 -9.2341 -7.6925 -7.6925 -7.3715 -7.3715 -7.1697 -7.1697 -7.1658 -7.1658 -7.0250 -7.0250 -7.0194 -7.0194 -3.4973 -3.4973 -3.2185 -3.2185 -1.7207 -1.7207 -1.6223 -1.6223 0.9837 0.9837 0.9859 0.9859 1.1980 1.1980 1.2066 1.2066 1.4733 1.4733 1.4894 1.4894 1.8453 1.8453 1.8992 1.8992 2.6643 2.6643 2.8481 2.8481 3.1709 3.1709 3.1839 3.1839 3.3486 3.3486 3.3644 3.3644 4.2157 4.2157 4.2157 4.2157 4.7553 4.7553 4.8281 4.8281 5.0871 5.0871 5.1540 5.1540 6.7092 6.7092 6.9970 6.9970 7.2156 7.2156 7.6928 7.6928 8.0805 8.0805 8.2667 8.2667 k = 0.0000 0.5000-0.0000 ( 3604 PWs) bands (ev): -8.8710 -8.8710 -8.7380 -8.7380 -8.0530 -8.0530 -7.7346 -7.7346 -7.5900 -7.5900 -7.4550 -7.4550 -6.9963 -6.9963 -6.9591 -6.9591 -3.1641 -3.1641 -3.0056 -3.0056 -1.5375 -1.5375 -1.5033 -1.5033 0.5041 0.5041 0.5554 0.5554 1.2227 1.2227 1.2878 1.2878 1.3684 1.3684 1.4890 1.4890 1.8033 1.8033 1.8722 1.8722 2.3623 2.3623 2.5213 2.5213 2.6337 2.6337 2.9549 2.9549 3.5133 3.5133 3.6747 3.6747 3.9716 3.9716 4.2224 4.2224 4.4265 4.4265 4.4973 4.4973 5.0860 5.0860 5.3091 5.3091 7.3385 7.3385 7.7866 7.7866 8.1403 8.1403 8.4150 8.4150 8.6052 8.6052 8.8882 8.8882 k = 0.0000 0.5000 0.0166 ( 3596 PWs) bands (ev): -8.8707 -8.8707 -8.7379 -8.7379 -8.0549 -8.0545 -7.7367 -7.7359 -7.5882 -7.5875 -7.4534 -7.4523 -6.9971 -6.9966 -6.9600 -6.9597 -3.1644 -3.1644 -3.0061 -3.0060 -1.5366 -1.5365 -1.5027 -1.5025 0.5028 0.5034 0.5532 0.5553 1.2145 1.2209 1.2719 1.2865 1.3659 1.3875 1.4933 1.4935 1.8043 1.8072 1.8752 1.8759 2.3617 2.3632 2.5202 2.5213 2.6310 2.6355 2.9547 2.9557 3.5093 3.5165 3.6723 3.6726 3.9708 3.9763 4.2217 4.2228 4.4250 4.4254 4.4959 4.4963 5.0844 5.0846 5.3060 5.3079 7.3398 7.3436 7.7867 7.7933 8.1399 8.1418 8.4051 8.4201 8.5943 8.6229 8.8866 8.8919 k = 0.0000 0.5000 0.0332 ( 3604 PWs) bands (ev): -8.8700 -8.8700 -8.7376 -8.7375 -8.0599 -8.0591 -7.7420 -7.7406 -7.5821 -7.5807 -7.4476 -7.4454 -6.9989 -6.9979 -6.9624 -6.9617 -3.1655 -3.1655 -3.0076 -3.0073 -1.5340 -1.5338 -1.5006 -1.5004 0.4997 0.5007 0.5489 0.5531 1.1980 1.2093 1.2485 1.2672 1.3812 1.4125 1.5055 1.5058 1.8103 1.8160 1.8849 1.8863 2.3614 2.3637 2.5182 2.5198 2.6275 2.6362 2.9549 2.9567 3.5043 3.5182 3.6657 3.6659 3.9736 3.9847 4.2210 4.2228 4.4210 4.4219 4.4921 4.4929 5.0797 5.0802 5.2987 5.3025 7.3473 7.3549 7.7932 7.8064 8.1404 8.1442 8.3928 8.4186 8.5918 8.6443 8.8866 8.8970 k = 0.0000 0.5000 0.0499 ( 3604 PWs) bands (ev): -8.8689 -8.8688 -8.7369 -8.7369 -8.0677 -8.0666 -7.7499 -7.7481 -7.5721 -7.5701 -7.4380 -7.4349 -7.0018 -7.0004 -6.9663 -6.9652 -3.1673 -3.1673 -3.0099 -3.0095 -1.5296 -1.5293 -1.4973 -1.4969 0.4948 0.4964 0.5429 0.5489 1.1762 1.1902 1.2218 1.2404 1.4039 1.4388 1.5233 1.5236 1.8213 1.8295 1.9009 1.9034 2.3612 2.3632 2.5154 2.5165 2.6235 2.6361 2.9554 2.9577 3.4991 3.5189 3.6555 3.6557 3.9797 3.9964 4.2205 4.2223 4.4143 4.4160 4.4860 4.4872 5.0724 5.0731 5.2874 5.2930 7.3608 7.3721 7.8062 7.8260 8.1419 8.1476 8.3799 8.4104 8.5980 8.6679 8.8889 8.9039 k = 0.0000 0.5000 0.0665 ( 3606 PWs) bands (ev): -8.8673 -8.8672 -8.7361 -8.7360 -8.0778 -8.0764 -7.7598 -7.7576 -7.5587 -7.5563 -7.4255 -7.4216 -7.0057 -7.0038 -6.9715 -6.9701 -3.1697 -3.1696 -3.0130 -3.0125 -1.5238 -1.5234 -1.4928 -1.4923 0.4885 0.4905 0.5354 0.5429 1.1513 1.1662 1.1933 1.2111 1.4293 1.4648 1.5447 1.5451 1.8373 1.8476 1.9228 1.9270 2.3609 2.3609 2.5110 2.5112 2.6195 2.6349 2.9556 2.9580 3.4944 3.5188 3.6424 3.6437 3.9884 4.0107 4.2202 4.2212 4.4053 4.4081 4.4778 4.4795 5.0626 5.0634 5.2725 5.2796 7.3797 7.3945 7.8248 7.8514 8.1444 8.1520 8.3675 8.3977 8.6105 8.6919 8.8927 8.9117 k = 0.0000 0.5000 0.0831 ( 3600 PWs) bands (ev): -8.8654 -8.8652 -8.7351 -8.7350 -8.0894 -8.0879 -7.7710 -7.7686 -7.5426 -7.5398 -7.4106 -7.4062 -7.0105 -7.0082 -6.9780 -6.9763 -3.1726 -3.1725 -3.0166 -3.0161 -1.5166 -1.5161 -1.4873 -1.4867 0.4811 0.4834 0.5268 0.5355 1.1249 1.1394 1.1639 1.1810 1.4555 1.4898 1.5680 1.5688 1.8583 1.8700 1.9501 1.9568 2.3561 2.3601 2.5033 2.5050 2.6160 2.6325 2.9547 2.9564 3.4909 3.5185 3.6282 3.6311 3.9987 4.0265 4.2193 4.2202 4.3939 4.3986 4.4679 4.4702 5.0507 5.0517 5.2542 5.2627 7.4034 7.4215 7.8486 7.8820 8.1481 8.1576 8.3566 8.3829 8.6272 8.7154 8.8980 8.9202 k = 0.0000 0.5000 0.0997 ( 3600 PWs) bands (ev): -8.8631 -8.8629 -8.7340 -8.7338 -8.1021 -8.1005 -7.7827 -7.7803 -7.5245 -7.5214 -7.3942 -7.3893 -7.0163 -7.0136 -6.9858 -6.9838 -3.1759 -3.1758 -3.0208 -3.0202 -1.5084 -1.5079 -1.4810 -1.4803 0.4729 0.4754 0.5176 0.5271 1.0979 1.1113 1.1345 1.1508 1.4815 1.5136 1.5918 1.5935 1.8840 1.8966 1.9821 1.9922 2.3488 2.3583 2.4935 2.4959 2.6132 2.6281 2.9512 2.9519 3.4895 3.5187 3.6146 3.6195 4.0098 4.0427 4.2162 4.2202 4.3806 4.3879 4.4566 4.4600 5.0372 5.0384 5.2329 5.2426 7.4309 7.4520 7.8766 7.9168 8.1529 8.1640 8.3474 8.3678 8.6457 8.7375 8.9042 8.9288 k = 0.0000 0.5000 0.1164 ( 3614 PWs) bands (ev): -8.8606 -8.8604 -8.7327 -8.7326 -8.1152 -8.1137 -7.7946 -7.7922 -7.5050 -7.5017 -7.3767 -7.3716 -7.0229 -7.0200 -6.9946 -6.9924 -3.1795 -3.1794 -3.0253 -3.0246 -1.4994 -1.4989 -1.4742 -1.4734 0.4642 0.4669 0.5081 0.5182 1.0712 1.0831 1.1057 1.1211 1.5068 1.5356 1.6156 1.6184 1.9140 1.9272 2.0181 2.0328 2.3392 2.3556 2.4822 2.4838 2.6101 2.6212 2.9429 2.9435 3.4913 3.5205 3.6034 3.6106 4.0205 4.0578 4.2114 4.2197 4.3659 4.3768 4.4450 4.4497 5.0226 5.0240 5.2092 5.2198 7.4613 7.4850 7.9078 7.9549 8.1590 8.1713 8.3401 8.3533 8.6650 8.7576 8.9110 8.9370 k = 0.0000 0.5000 0.1330 ( 3620 PWs) bands (ev): -8.8580 -8.8578 -8.7314 -8.7312 -8.1283 -8.1268 -7.8061 -7.8039 -7.4847 -7.4813 -7.3587 -7.3535 -7.0302 -7.0270 -7.0042 -7.0019 -3.1831 -3.1830 -3.0298 -3.0292 -1.4901 -1.4896 -1.4671 -1.4663 0.4554 0.4582 0.4989 0.5090 1.0455 1.0558 1.0782 1.0927 1.5309 1.5560 1.6388 1.6430 1.9479 1.9615 2.0572 2.0777 2.3276 2.3523 2.4691 2.4702 2.6054 2.6106 2.9282 2.9300 3.4970 3.5247 3.5963 3.6057 4.0297 4.0704 4.2041 4.2173 4.3509 4.3662 4.4341 4.4406 5.0076 5.0090 5.1839 5.1949 7.4934 7.5190 7.9412 7.9949 8.1662 8.1791 8.3347 8.3401 8.6841 8.7753 8.9178 8.9444 k = 0.0000 0.5000 0.1496 ( 3622 PWs) bands (ev): -8.8553 -8.8551 -8.7301 -8.7299 -8.1408 -8.1394 -7.8170 -7.8149 -7.4642 -7.4608 -7.3408 -7.3355 -7.0382 -7.0348 -7.0145 -7.0121 -3.1868 -3.1867 -3.0344 -3.0337 -1.4807 -1.4802 -1.4600 -1.4592 0.4470 0.4497 0.4902 0.5001 1.0214 1.0301 1.0526 1.0659 1.5534 1.5745 1.6611 1.6665 1.9846 1.9993 2.0984 2.1260 2.3149 2.3488 2.4528 2.4586 2.5958 2.5977 2.9068 2.9096 3.5071 3.5323 3.5943 3.6056 4.0364 4.0790 4.1938 4.2114 4.3374 4.3570 4.4257 4.4337 4.9926 4.9941 5.1577 5.1688 7.5262 7.5529 7.9755 8.0354 8.1746 8.1873 8.3288 8.3314 8.7027 8.7902 8.9245 8.9507 k = 0.0000 0.5000 0.1662 ( 3618 PWs) bands (ev): -8.8527 -8.8525 -8.7288 -8.7286 -8.1525 -8.1512 -7.8269 -7.8250 -7.4442 -7.4408 -7.3232 -7.3180 -7.0464 -7.0429 -7.0251 -7.0226 -3.1903 -3.1901 -3.0387 -3.0381 -1.4715 -1.4711 -1.4532 -1.4524 0.4390 0.4416 0.4824 0.4916 0.9993 1.0065 1.0294 1.0414 1.5739 1.5910 1.6820 1.6885 2.0231 2.0400 2.1403 2.1765 2.3017 2.3461 2.4365 2.4491 2.5763 2.5855 2.8785 2.8816 3.5216 3.5436 3.5980 3.6104 4.0401 4.0825 4.1801 4.2004 4.3270 4.3494 4.4212 4.4301 4.9784 4.9799 5.1315 5.1424 7.5585 7.5851 8.0096 8.0747 8.1840 8.1954 8.3195 8.3298 8.7203 8.8021 8.9305 8.9557 k = 0.0000 0.5000 0.1829 ( 3598 PWs) bands (ev): -8.8502 -8.8500 -8.7275 -8.7274 -8.1629 -8.1617 -7.8355 -7.8339 -7.4252 -7.4221 -7.3065 -7.3016 -7.0548 -7.0513 -7.0356 -7.0332 -3.1934 -3.1933 -3.0426 -3.0421 -1.4631 -1.4627 -1.4469 -1.4461 0.4320 0.4343 0.4757 0.4839 0.9799 0.9857 1.0091 1.0195 1.5920 1.6055 1.7012 1.7083 2.0621 2.0827 2.1807 2.2270 2.2888 2.3454 2.4225 2.4431 2.5528 2.5683 2.8439 2.8463 3.5398 3.5582 3.6066 3.6193 4.0405 4.0805 4.1632 4.1839 4.3208 4.3432 4.4213 4.4300 4.9653 4.9668 5.1064 5.1165 7.5891 7.6145 8.0425 8.1108 8.1942 8.2032 8.3127 8.3295 8.7371 8.8109 8.9361 8.9593 k = 0.0000 0.5000 0.1995 ( 3606 PWs) bands (ev): -8.8481 -8.8479 -8.7265 -8.7264 -8.1718 -8.1708 -7.8429 -7.8416 -7.4081 -7.4053 -7.2912 -7.2868 -7.0628 -7.0595 -7.0455 -7.0433 -3.1962 -3.1961 -3.0460 -3.0455 -1.4556 -1.4553 -1.4415 -1.4408 0.4260 0.4279 0.4701 0.4771 0.9634 0.9679 0.9921 1.0007 1.6074 1.6176 1.7183 1.7252 2.0997 2.1262 2.2170 2.2721 2.2776 2.3478 2.4153 2.4414 2.5273 2.5458 2.8040 2.8046 3.5600 3.5747 3.6187 3.6306 4.0380 4.0736 4.1445 4.1633 4.3181 4.3380 4.4255 4.4329 4.9540 4.9554 5.0834 5.0922 7.6167 7.6394 8.0728 8.1403 8.2043 8.2103 8.3087 8.3297 8.7524 8.8157 8.9405 8.9608 k = 0.0000 0.5000 0.2161 ( 3614 PWs) bands (ev): -8.8462 -8.8461 -8.7256 -8.7255 -8.1789 -8.1782 -7.8487 -7.8477 -7.3934 -7.3911 -7.2780 -7.2743 -7.0700 -7.0671 -7.0543 -7.0524 -3.1985 -3.1985 -3.0488 -3.0484 -1.4493 -1.4492 -1.4370 -1.4365 0.4211 0.4226 0.4660 0.4714 0.9503 0.9536 0.9787 0.9854 1.6199 1.6271 1.7327 1.7388 2.1339 2.1677 2.2463 2.2683 2.3043 2.3552 2.4246 2.4392 2.5083 2.5190 2.7585 2.7605 3.5803 3.5915 3.6324 3.6424 4.0341 4.0632 4.1262 4.1416 4.3178 4.3336 4.4320 4.4376 4.9448 4.9460 5.0639 5.0710 7.6402 7.6589 8.1000 8.1602 8.2136 8.2172 8.3081 8.3299 8.7666 8.8171 8.9444 8.9608 k = 0.0000 0.5000 0.2327 ( 3606 PWs) bands (ev): -8.8448 -8.8447 -8.7249 -8.7248 -8.1841 -8.1836 -7.8529 -7.8522 -7.3819 -7.3803 -7.2674 -7.2647 -7.0756 -7.0734 -7.0611 -7.0597 -3.2002 -3.2001 -3.0508 -3.0505 -1.4446 -1.4445 -1.4338 -1.4333 0.4177 0.4187 0.4633 0.4670 0.9409 0.9431 0.9693 0.9739 1.6293 1.6339 1.7440 1.7485 2.1627 2.1990 2.2677 2.2697 2.3151 2.3677 2.4223 2.4553 2.4899 2.5113 2.7109 2.7161 3.5984 3.6059 3.6453 3.6526 4.0309 4.0517 4.1110 4.1219 4.3191 4.3299 4.4389 4.4425 4.9381 4.9390 5.0491 5.0542 7.6590 7.6723 8.1237 8.1689 8.2215 8.2240 8.3111 8.3292 8.7797 8.8150 8.9479 8.9595 k = 0.0000 0.5000 0.2494 ( 3608 PWs) bands (ev): -8.8440 -8.8439 -8.7245 -8.7245 -8.1872 -8.1869 -7.8553 -7.8550 -7.3745 -7.3737 -7.2603 -7.2589 -7.0791 -7.0779 -7.0655 -7.0647 -3.2012 -3.2012 -3.0520 -3.0519 -1.4417 -1.4417 -1.4317 -1.4315 0.4157 0.4162 0.4620 0.4639 0.9354 0.9364 0.9641 0.9664 1.6354 1.6377 1.7516 1.7540 2.1848 2.2078 2.2822 2.2863 2.3190 2.3718 2.4063 2.4552 2.5003 2.5290 2.6688 2.6756 3.6114 3.6153 3.6551 3.6589 4.0303 4.0412 4.1017 4.1074 4.3212 4.3267 4.4441 4.4459 4.9341 4.9346 5.0403 5.0429 7.6720 7.6789 8.1431 8.1671 8.2270 8.2285 8.3165 8.3267 8.7915 8.8097 8.9512 8.9572 k = 0.0000 0.5000 0.2660 ( 3600 PWs) bands (ev): -8.8437 -8.8437 -8.7243 -8.7243 -8.1881 -8.1881 -7.8560 -7.8560 -7.3717 -7.3717 -7.2574 -7.2574 -7.0799 -7.0799 -7.0667 -7.0667 -3.2015 -3.2015 -3.0523 -3.0523 -1.4407 -1.4407 -1.4310 -1.4310 0.4152 0.4152 0.4622 0.4622 0.9339 0.9339 0.9631 0.9631 1.6382 1.6382 1.7550 1.7550 2.2003 2.2003 2.2910 2.2910 2.3426 2.3426 2.4261 2.4261 2.5309 2.5309 2.6527 2.6527 3.6174 3.6174 3.6599 3.6599 4.0337 4.0337 4.1003 4.1003 4.3238 4.3238 4.4466 4.4466 4.9330 4.9330 5.0382 5.0382 7.6788 7.6788 8.1580 8.1580 8.2296 8.2296 8.3223 8.3223 8.8017 8.8017 8.9544 8.9544 k = 0.5000 0.5000-0.0000 ( 3596 PWs) bands (ev): -8.3316 -8.3316 -8.3313 -8.3313 -8.2928 -8.2928 -8.0618 -8.0618 -7.5012 -7.5012 -7.3468 -7.3468 -7.3443 -7.3443 -7.2739 -7.2739 -2.8825 -2.8825 -2.6827 -2.6827 -2.6812 -2.6812 -2.6329 -2.6329 0.7154 0.7154 0.7173 0.7173 0.7447 0.7447 0.7462 0.7462 1.4497 1.4497 1.7636 1.7636 1.7827 1.7827 1.9129 1.9129 3.0238 3.0238 3.2794 3.2794 3.3102 3.3102 3.4589 3.4589 4.3181 4.3181 4.4337 4.4337 4.5119 4.5119 4.5668 4.5668 5.0534 5.0534 5.1930 5.1930 5.2457 5.2457 5.3319 5.3319 6.5845 6.5845 7.0968 7.0968 7.1078 7.1078 7.3625 7.3625 8.8733 8.8733 9.2519 9.2519 k = 0.5000 0.5000 0.0166 ( 3596 PWs) bands (ev): -8.3316 -8.3316 -8.3312 -8.3312 -8.2928 -8.2928 -8.0616 -8.0616 -7.5017 -7.5017 -7.3468 -7.3468 -7.3443 -7.3443 -7.2736 -7.2736 -2.8827 -2.8827 -2.6824 -2.6824 -2.6809 -2.6809 -2.6321 -2.6321 0.7087 0.7087 0.7135 0.7135 0.7254 0.7254 0.7571 0.7571 1.4580 1.4580 1.7698 1.7698 1.7904 1.7904 1.9199 1.9199 3.0220 3.0220 3.2773 3.2773 3.3083 3.3083 3.4569 3.4569 4.3183 4.3183 4.4342 4.4342 4.5122 4.5122 4.5674 4.5674 5.0490 5.0490 5.1889 5.1889 5.2423 5.2423 5.3277 5.3277 6.5893 6.5893 7.1003 7.1003 7.1118 7.1118 7.3667 7.3667 8.8730 8.8730 9.2521 9.2521 k = 0.5000 0.5000 0.0332 ( 3596 PWs) bands (ev): -8.3316 -8.3316 -8.3311 -8.3311 -8.2929 -8.2929 -8.0612 -8.0612 -7.5030 -7.5030 -7.3469 -7.3469 -7.3444 -7.3444 -7.2727 -7.2727 -2.8834 -2.8834 -2.6816 -2.6816 -2.6800 -2.6800 -2.6297 -2.6297 0.6874 0.6874 0.6969 0.6969 0.7073 0.7073 0.7583 0.7583 1.4823 1.4823 1.7883 1.7883 1.8127 1.8127 1.9404 1.9404 3.0164 3.0164 3.2709 3.2709 3.3024 3.3024 3.4507 3.4507 4.3191 4.3191 4.4355 4.4355 4.5132 4.5132 4.5692 4.5692 5.0361 5.0361 5.1767 5.1767 5.2320 5.2320 5.3151 5.3151 6.6036 6.6036 7.1106 7.1106 7.1233 7.1233 7.3789 7.3789 8.8723 8.8723 9.2528 9.2528 k = 0.5000 0.5000 0.0499 ( 3588 PWs) bands (ev): -8.3316 -8.3316 -8.3310 -8.3310 -8.2929 -8.2929 -8.0605 -8.0605 -7.5051 -7.5051 -7.3471 -7.3471 -7.3445 -7.3445 -7.2713 -7.2713 -2.8844 -2.8844 -2.6804 -2.6804 -2.6784 -2.6784 -2.6258 -2.6258 0.6522 0.6522 0.6743 0.6743 0.6886 0.6886 0.7495 0.7495 1.5204 1.5204 1.8185 1.8185 1.8477 1.8477 1.9734 1.9734 3.0069 3.0069 3.2603 3.2603 3.2924 3.2924 3.4403 3.4403 4.3207 4.3207 4.4378 4.4378 4.5149 4.5149 4.5722 4.5722 5.0153 5.0153 5.1572 5.1572 5.2155 5.2155 5.2950 5.2950 6.6262 6.6262 7.1276 7.1276 7.1418 7.1418 7.3988 7.3988 8.8710 8.8710 9.2538 9.2538 k = 0.5000 0.5000 0.0665 ( 3580 PWs) bands (ev): -8.3316 -8.3316 -8.3308 -8.3308 -8.2930 -8.2930 -8.0595 -8.0595 -7.5079 -7.5079 -7.3474 -7.3474 -7.3446 -7.3446 -7.2694 -7.2694 -2.8858 -2.8858 -2.6786 -2.6786 -2.6763 -2.6763 -2.6206 -2.6206 0.6120 0.6120 0.6471 0.6471 0.6646 0.6646 0.7326 0.7326 1.5700 1.5700 1.8592 1.8592 1.8934 1.8934 2.0171 2.0171 2.9936 2.9936 3.2453 3.2453 3.2784 3.2784 3.4257 3.4257 4.3229 4.3229 4.4410 4.4410 4.5173 4.5173 4.5764 4.5764 4.9878 4.9878 5.1312 5.1312 5.1933 5.1933 5.2686 5.2686 6.6557 6.6557 7.1503 7.1503 7.1661 7.1661 7.4253 7.4253 8.8692 8.8692 9.2550 9.2550 k = 0.5000 0.5000 0.0831 ( 3580 PWs) bands (ev): -8.3316 -8.3316 -8.3306 -8.3306 -8.2931 -8.2931 -8.0584 -8.0584 -7.5113 -7.5113 -7.3477 -7.3477 -7.3447 -7.3447 -7.2672 -7.2672 -2.8873 -2.8873 -2.6764 -2.6764 -2.6737 -2.6737 -2.6143 -2.6143 0.5698 0.5698 0.6167 0.6167 0.6367 0.6367 0.7097 0.7097 1.6284 1.6284 1.9087 1.9087 1.9476 1.9476 2.0695 2.0695 2.9763 2.9763 3.2261 3.2261 3.2601 3.2601 3.4067 3.4067 4.3258 4.3258 4.4451 4.4451 4.5205 4.5205 4.5815 4.5815 4.9549 4.9549 5.0999 5.0999 5.1665 5.1665 5.2372 5.2372 6.6903 6.6903 7.1778 7.1778 7.1949 7.1949 7.4574 7.4574 8.8667 8.8667 9.2564 9.2564 k = 0.5000 0.5000 0.0997 ( 3564 PWs) bands (ev): -8.3316 -8.3316 -8.3304 -8.3304 -8.2932 -8.2932 -8.0571 -8.0571 -7.5152 -7.5152 -7.3481 -7.3481 -7.3448 -7.3448 -7.2647 -7.2647 -2.8889 -2.8889 -2.6739 -2.6739 -2.6708 -2.6708 -2.6073 -2.6073 0.5275 0.5275 0.5845 0.5845 0.6063 0.6063 0.6831 0.6831 1.6934 1.6934 1.9652 1.9652 2.0087 2.0087 2.1292 2.1292 2.9549 2.9549 3.2025 3.2025 3.2375 3.2375 3.3832 3.3832 4.3296 4.3296 4.4500 4.4500 4.5244 4.5244 4.5876 4.5876 4.9183 4.9183 5.0648 5.0648 5.1362 5.1362 5.2021 5.2021 6.7286 6.7286 7.2090 7.2090 7.2271 7.2271 7.4939 7.4939 8.8638 8.8638 9.2577 9.2577 k = 0.5000 0.5000 0.1164 ( 3564 PWs) bands (ev): -8.3315 -8.3315 -8.3302 -8.3302 -8.2934 -8.2934 -8.0557 -8.0557 -7.5193 -7.5193 -7.3485 -7.3485 -7.3450 -7.3450 -7.2621 -7.2621 -2.8906 -2.8906 -2.6712 -2.6712 -2.6677 -2.6677 -2.5998 -2.5998 0.4863 0.4863 0.5520 0.5520 0.5751 0.5751 0.6546 0.6546 1.7630 1.7630 2.0271 2.0271 2.0749 2.0749 2.1942 2.1942 2.9294 2.9294 3.1747 3.1747 3.2105 3.2105 3.3552 3.3552 4.3344 4.3344 4.4556 4.4556 4.5291 4.5291 4.5944 4.5944 4.8796 4.8796 5.0271 5.0271 5.1033 5.1033 5.1644 5.1644 6.7686 6.7686 7.2426 7.2426 7.2613 7.2613 7.5334 7.5334 8.8601 8.8601 9.2586 9.2586 k = 0.5000 0.5000 0.1330 ( 3564 PWs) bands (ev): -8.3315 -8.3315 -8.3300 -8.3300 -8.2935 -8.2935 -8.0542 -8.0542 -7.5234 -7.5234 -7.3489 -7.3489 -7.3452 -7.3452 -7.2594 -7.2594 -2.8922 -2.8922 -2.6684 -2.6684 -2.6645 -2.6645 -2.5920 -2.5920 0.4473 0.4473 0.5203 0.5203 0.5443 0.5443 0.6259 0.6259 1.8358 1.8358 2.0929 2.0929 2.1448 2.1448 2.2634 2.2634 2.8997 2.8997 3.1425 3.1425 3.1789 3.1789 3.3224 3.3224 4.3405 4.3405 4.4619 4.4619 4.5347 4.5347 4.6016 4.6016 4.8407 4.8407 4.9884 4.9884 5.0690 5.0690 5.1255 5.1255 6.8088 6.8088 7.2772 7.2772 7.2963 7.2963 7.5745 7.5745 8.8560 8.8560 9.2591 9.2591 k = 0.5000 0.5000 0.1496 ( 3580 PWs) bands (ev): -8.3314 -8.3314 -8.3298 -8.3298 -8.2937 -8.2937 -8.0527 -8.0527 -7.5276 -7.5276 -7.3493 -7.3493 -7.3455 -7.3455 -7.2569 -7.2569 -2.8937 -2.8937 -2.6655 -2.6655 -2.6613 -2.6613 -2.5844 -2.5844 0.4113 0.4113 0.4904 0.4904 0.5150 0.5150 0.5982 0.5982 1.9102 1.9102 2.1613 2.1613 2.2173 2.2173 2.3352 2.3352 2.8659 2.8659 3.1063 3.1063 3.1429 3.1429 3.2851 3.2851 4.3476 4.3476 4.4685 4.4685 4.5408 4.5408 4.6084 4.6084 4.8035 4.8035 4.9500 4.9500 5.0345 5.0345 5.0862 5.0862 6.8478 6.8478 7.3115 7.3115 7.3306 7.3306 7.6155 7.6155 8.8513 8.8513 9.2589 9.2589 k = 0.5000 0.5000 0.1662 ( 3604 PWs) bands (ev): -8.3314 -8.3314 -8.3296 -8.3296 -8.2938 -8.2938 -8.0513 -8.0513 -7.5315 -7.5315 -7.3497 -7.3497 -7.3457 -7.3457 -7.2545 -7.2545 -2.8951 -2.8951 -2.6628 -2.6628 -2.6582 -2.6582 -2.5771 -2.5771 0.3790 0.3790 0.4631 0.4631 0.4880 0.4880 0.5725 0.5725 1.9852 1.9852 2.2309 2.2309 2.2912 2.2912 2.4086 2.4086 2.8283 2.8283 3.0663 3.0663 3.1025 3.1025 3.2431 3.2431 4.3560 4.3560 4.4749 4.4749 4.5473 4.5473 4.6140 4.6140 4.7704 4.7704 4.9133 4.9133 5.0007 5.0007 5.0476 5.0476 6.8843 6.8843 7.3441 7.3441 7.3630 7.3630 7.6550 7.6550 8.8462 8.8462 9.2580 9.2580 k = 0.5000 0.5000 0.1829 ( 3620 PWs) bands (ev): -8.3313 -8.3313 -8.3295 -8.3295 -8.2940 -8.2940 -8.0499 -8.0499 -7.5351 -7.5351 -7.3501 -7.3501 -7.3459 -7.3459 -7.2523 -7.2523 -2.8963 -2.8963 -2.6602 -2.6602 -2.6554 -2.6554 -2.5705 -2.5705 0.3508 0.3508 0.4389 0.4389 0.4641 0.4641 0.5495 0.5495 2.0594 2.0594 2.3006 2.3006 2.3655 2.3655 2.4823 2.4823 2.7873 2.7873 3.0229 3.0229 3.0581 3.0581 3.1969 3.1969 4.3658 4.3658 4.4802 4.4802 4.5540 4.5540 4.6169 4.6169 4.7439 4.7439 4.8801 4.8801 4.9688 4.9688 5.0106 5.0106 6.9173 6.9173 7.3740 7.3740 7.3926 7.3926 7.6917 7.6917 8.8412 8.8412 9.2566 9.2566 k = 0.5000 0.5000 0.1995 ( 3620 PWs) bands (ev): -8.3313 -8.3313 -8.3294 -8.3294 -8.2941 -8.2941 -8.0487 -8.0487 -7.5382 -7.5382 -7.3504 -7.3504 -7.3461 -7.3461 -7.2505 -7.2505 -2.8972 -2.8972 -2.6579 -2.6579 -2.6528 -2.6528 -2.5647 -2.5647 0.3272 0.3272 0.4185 0.4185 0.4439 0.4439 0.5300 0.5300 2.1316 2.1316 2.3687 2.3687 2.4390 2.4390 2.5544 2.5544 2.7444 2.7444 2.9771 2.9771 3.0104 3.0104 3.1469 3.1469 4.3771 4.3771 4.4833 4.4833 4.5609 4.5609 4.6163 4.6163 4.7258 4.7258 4.8524 4.8524 4.9396 4.9396 4.9763 4.9763 6.9458 6.9458 7.4002 7.4002 7.4184 7.4184 7.7241 7.7241 8.8366 8.8366 9.2551 9.2551 k = 0.5000 0.5000 0.2161 ( 3604 PWs) bands (ev): -8.3312 -8.3312 -8.3292 -8.3292 -8.2942 -8.2942 -8.0478 -8.0478 -7.5407 -7.5407 -7.3507 -7.3507 -7.3462 -7.3462 -7.2490 -7.2490 -2.8979 -2.8979 -2.6560 -2.6560 -2.6507 -2.6507 -2.5599 -2.5599 0.3085 0.3085 0.4023 0.4023 0.4277 0.4277 0.5144 0.5144 2.1995 2.1995 2.4334 2.4334 2.5100 2.5100 2.6194 2.6194 2.7050 2.7050 2.9298 2.9298 2.9610 2.9610 3.0942 3.0942 4.3898 4.3898 4.4824 4.4824 4.5676 4.5676 4.6133 4.6133 4.7154 4.7154 4.8325 4.8325 4.9140 4.9140 4.9461 4.9461 6.9689 6.9689 7.4216 7.4216 7.4395 7.4395 7.7509 7.7509 8.8326 8.8326 9.2535 9.2535 k = 0.5000 0.5000 0.2327 ( 3616 PWs) bands (ev): -8.3312 -8.3312 -8.3292 -8.3292 -8.2942 -8.2942 -8.0470 -8.0470 -7.5425 -7.5425 -7.3509 -7.3509 -7.3463 -7.3463 -7.2479 -7.2479 -2.8985 -2.8985 -2.6547 -2.6547 -2.6492 -2.6492 -2.5564 -2.5564 0.2950 0.2950 0.3905 0.3905 0.4160 0.4160 0.5030 0.5030 2.2594 2.2594 2.4910 2.4910 2.5747 2.5747 2.6369 2.6369 2.7099 2.7099 2.8825 2.8825 2.9141 2.9141 3.0408 3.0408 4.4029 4.4029 4.4766 4.4766 4.5738 4.5738 4.6100 4.6100 4.7087 4.7087 4.8222 4.8222 4.8921 4.8921 4.9218 4.9218 6.9858 6.9858 7.4375 7.4375 7.4550 7.4550 7.7709 7.7709 8.8294 8.8294 9.2521 9.2521 k = 0.5000 0.5000 0.2494 ( 3616 PWs) bands (ev): -8.3312 -8.3312 -8.3291 -8.3291 -8.2943 -8.2943 -8.0466 -8.0466 -7.5437 -7.5437 -7.3510 -7.3510 -7.3464 -7.3464 -7.2473 -7.2473 -2.8988 -2.8988 -2.6538 -2.6538 -2.6483 -2.6483 -2.5543 -2.5543 0.2868 0.2868 0.3833 0.3833 0.4088 0.4088 0.4961 0.4961 2.3044 2.3044 2.5362 2.5362 2.5980 2.5980 2.6377 2.6377 2.7564 2.7564 2.8366 2.8366 2.8817 2.8817 2.9934 2.9934 4.4149 4.4149 4.4681 4.4681 4.5790 4.5790 4.6079 4.6079 4.7040 4.7040 4.8207 4.8207 4.8754 4.8754 4.9062 4.9062 6.9962 6.9962 7.4473 7.4473 7.4646 7.4646 7.7833 7.7833 8.8275 8.8275 9.2511 9.2511 k = 0.5000 0.5000 0.2660 ( 3616 PWs) bands (ev): -8.3312 -8.3312 -8.3291 -8.3291 -8.2943 -8.2943 -8.0464 -8.0464 -7.5441 -7.5441 -7.3510 -7.3510 -7.3464 -7.3464 -7.2470 -7.2470 -2.8989 -2.8989 -2.6535 -2.6535 -2.6480 -2.6480 -2.5535 -2.5535 0.2841 0.2841 0.3809 0.3809 0.4064 0.4064 0.4938 0.4938 2.3220 2.3220 2.5590 2.5590 2.5810 2.5810 2.6595 2.6595 2.7883 2.7883 2.8022 2.8022 2.8733 2.8733 2.9709 2.9709 4.4206 4.4206 4.4633 4.4633 4.5811 4.5811 4.6071 4.6071 4.7022 4.7022 4.8219 4.8219 4.8683 4.8683 4.9008 4.9008 6.9997 6.9997 7.4506 7.4506 7.4678 7.4678 7.7875 7.7875 8.8268 8.8268 9.2508 9.2508 Writing output data file GeSe2.save init_run : 2.29s CPU 11.95s WALL ( 1 calls) electrons : 778.22s CPU 796.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.47s CPU 1.64s WALL ( 1 calls) Called by electrons: c_bands : 778.19s CPU 796.04s WALL ( 1 calls) v_of_rho : 0.26s CPU 1.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.26s CPU 0.59s WALL ( 1 calls) newd : 0.18s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.05s WALL ( 261 calls) cegterg : 713.25s CPU 725.57s WALL ( 503 calls) Called by sum_band: Called by *egterg: h_psi : 234.07s CPU 241.94s WALL ( 6680 calls) s_psi : 23.05s CPU 23.64s WALL ( 6680 calls) g_psi : 0.63s CPU 0.63s WALL ( 5916 calls) cdiaghg : 355.85s CPU 357.95s WALL ( 6177 calls) cegterg:over : 67.51s CPU 67.09s WALL ( 5916 calls) cegterg:upda : 16.33s CPU 17.91s WALL ( 5916 calls) cegterg:last : 13.18s CPU 13.71s WALL ( 1286 calls) Called by h_psi: h_psi:vloc : 175.11s CPU 180.28s WALL ( 6680 calls) h_psi:vnl : 58.73s CPU 61.04s WALL ( 6680 calls) add_vuspsi : 17.89s CPU 20.12s WALL ( 6680 calls) General routines calbec : 40.82s CPU 40.87s WALL ( 6680 calls) fft : 0.28s CPU 1.17s WALL ( 19 calls) ffts : 0.02s CPU 0.12s WALL ( 4 calls) fftw : 168.11s CPU 172.07s WALL ( 1229704 calls) interpolate : 0.03s CPU 0.13s WALL ( 4 calls) davcio : 0.04s CPU 3.07s WALL ( 522 calls) Parallel routines fft_scatter : 136.23s CPU 136.10s WALL ( 1229727 calls) PWSCF : 13m59.08s CPU 17m46.44s WALL This run was terminated on: 14:22:32 20Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=