Program PWSCF v.5.1.1 starts on 18Jun2016 at 19: 0:37 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: ./Hf2GaSb3.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 17 5 1346 821 131 Max 25 18 6 1354 839 140 Sum 1153 829 241 64773 39755 6471 bravais-lattice index = 14 lattice parameter (alat) = 7.3669 a.u. unit-cell volume = 884.7206 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.366927 celldm(2)= 1.000000 celldm(3)= 2.212825 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 2.212825 ) 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 0.451911 ) PseudoPot. # 1 for Hf read from file: /home/autes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Sb 5.00 121.76000 Sb( 1.00) Ga 13.00 69.72300 Ga( 1.00) 8 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 = 3 180 deg rotation - cart. axis [1,1,0] 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 = 4 180 deg rotation - cart. axis [1,-1,0] 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 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 344 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0029070 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0029070 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0029070 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0029070 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0029070 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0029070 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0029070 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0029070 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0029070 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0029070 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0029070 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0029070 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0029070 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0029070 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0029070 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0029070 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0029070 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0029070 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0029070 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0029070 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0029070 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0029070 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0029070 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0029070 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0029070 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0029070 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0029070 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0029070 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0029070 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0029070 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0029070 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0029070 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0029070 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0029070 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0029070 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0029070 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0029070 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0029070 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0029070 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0029070 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0029070 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0029070 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0029070 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0029070 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0029070 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0029070 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0029070 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0029070 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0029070 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0029070 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0029070 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0029070 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0029070 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0029070 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0029070 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0029070 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0029070 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0029070 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0029070 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0029070 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0029070 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0029070 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0029070 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0029070 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0029070 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0029070 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0029070 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0029070 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0029070 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0029070 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0029070 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0029070 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0029070 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0029070 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0029070 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0029070 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0029070 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0029070 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0029070 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0029070 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0029070 k( 87) = ( 0.4824561 0.4824561 -0.0000000), wk = 0.0029070 k( 88) = ( 0.4736842 0.4736842 -0.0000000), wk = 0.0029070 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0029070 k( 90) = ( 0.4561404 0.4561403 -0.0000000), wk = 0.0029070 k( 91) = ( 0.4473684 0.4473684 -0.0000000), wk = 0.0029070 k( 92) = ( 0.4385965 0.4385965 -0.0000000), wk = 0.0029070 k( 93) = ( 0.4298246 0.4298246 -0.0000000), wk = 0.0029070 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0029070 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0029070 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0029070 k( 97) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0029070 k( 98) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0029070 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0029070 k( 100) = ( 0.3684211 0.3684210 -0.0000000), wk = 0.0029070 k( 101) = ( 0.3596491 0.3596491 -0.0000000), wk = 0.0029070 k( 102) = ( 0.3508772 0.3508772 -0.0000000), wk = 0.0029070 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0029070 k( 104) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029070 k( 105) = ( 0.3245614 0.3245614 -0.0000000), wk = 0.0029070 k( 106) = ( 0.3157895 0.3157895 -0.0000000), wk = 0.0029070 k( 107) = ( 0.3070175 0.3070175 -0.0000000), wk = 0.0029070 k( 108) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0029070 k( 109) = ( 0.2894737 0.2894737 -0.0000000), wk = 0.0029070 k( 110) = ( 0.2807018 0.2807017 -0.0000000), wk = 0.0029070 k( 111) = ( 0.2719298 0.2719298 -0.0000000), wk = 0.0029070 k( 112) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0029070 k( 113) = ( 0.2543860 0.2543860 -0.0000000), wk = 0.0029070 k( 114) = ( 0.2456140 0.2456140 -0.0000000), wk = 0.0029070 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0029070 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0029070 k( 117) = ( 0.2192983 0.2192982 -0.0000000), wk = 0.0029070 k( 118) = ( 0.2105263 0.2105263 -0.0000000), wk = 0.0029070 k( 119) = ( 0.2017544 0.2017544 -0.0000000), wk = 0.0029070 k( 120) = ( 0.1929825 0.1929825 -0.0000000), wk = 0.0029070 k( 121) = ( 0.1842105 0.1842105 -0.0000000), wk = 0.0029070 k( 122) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0029070 k( 123) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029070 k( 124) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0029070 k( 125) = ( 0.1491228 0.1491228 -0.0000000), wk = 0.0029070 k( 126) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0029070 k( 127) = ( 0.1315790 0.1315790 -0.0000000), wk = 0.0029070 k( 128) = ( 0.1228070 0.1228070 -0.0000000), wk = 0.0029070 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0029070 k( 130) = ( 0.1052632 0.1052632 -0.0000000), wk = 0.0029070 k( 131) = ( 0.0964912 0.0964912 -0.0000000), wk = 0.0029070 k( 132) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0029070 k( 133) = ( 0.0789474 0.0789474 -0.0000000), wk = 0.0029070 k( 134) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0029070 k( 135) = ( 0.0614035 0.0614035 -0.0000000), wk = 0.0029070 k( 136) = ( 0.0526316 0.0526316 -0.0000000), wk = 0.0029070 k( 137) = ( 0.0438597 0.0438596 -0.0000000), wk = 0.0029070 k( 138) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0029070 k( 139) = ( 0.0263158 0.0263158 -0.0000000), wk = 0.0029070 k( 140) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0029070 k( 141) = ( 0.0087719 0.0087719 -0.0000000), wk = 0.0029070 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 144) = ( 0.0000000 0.0000000 0.0118924), wk = 0.0029070 k( 145) = ( 0.0000000 0.0000000 0.0237848), wk = 0.0029070 k( 146) = ( 0.0000000 0.0000000 0.0356772), wk = 0.0029070 k( 147) = ( 0.0000000 0.0000000 0.0475696), wk = 0.0029070 k( 148) = ( 0.0000000 0.0000000 0.0594620), wk = 0.0029070 k( 149) = ( 0.0000000 0.0000000 0.0713544), wk = 0.0029070 k( 150) = ( 0.0000000 0.0000000 0.0832468), wk = 0.0029070 k( 151) = ( 0.0000000 0.0000000 0.0951392), wk = 0.0029070 k( 152) = ( 0.0000000 0.0000000 0.1070315), wk = 0.0029070 k( 153) = ( 0.0000000 0.0000000 0.1189239), wk = 0.0029070 k( 154) = ( 0.0000000 0.0000000 0.1308163), wk = 0.0029070 k( 155) = ( 0.0000000 0.0000000 0.1427087), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.1546011), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.1664935), wk = 0.0029070 k( 158) = ( 0.0000000 0.0000000 0.1783859), wk = 0.0029070 k( 159) = ( 0.0000000 0.0000000 0.1902783), wk = 0.0029070 k( 160) = ( 0.0000000 0.0000000 0.2021707), wk = 0.0029070 k( 161) = ( 0.0000000 0.0000000 0.2140631), wk = 0.0029070 k( 162) = ( 0.0000000 0.0000000 0.2259555), wk = 0.0029070 k( 163) = ( 0.0000000 0.0000000 0.2259555), wk = 0.0029070 k( 164) = ( 0.0000000 0.0121951 0.2259555), wk = 0.0029070 k( 165) = ( 0.0000000 0.0243902 0.2259555), wk = 0.0029070 k( 166) = ( 0.0000000 0.0365854 0.2259555), wk = 0.0029070 k( 167) = ( 0.0000000 0.0487805 0.2259555), wk = 0.0029070 k( 168) = ( 0.0000000 0.0609756 0.2259555), wk = 0.0029070 k( 169) = ( 0.0000000 0.0731707 0.2259555), wk = 0.0029070 k( 170) = ( 0.0000000 0.0853658 0.2259555), wk = 0.0029070 k( 171) = ( 0.0000000 0.0975610 0.2259555), wk = 0.0029070 k( 172) = ( 0.0000000 0.1097561 0.2259555), wk = 0.0029070 k( 173) = ( 0.0000000 0.1219512 0.2259555), wk = 0.0029070 k( 174) = ( 0.0000000 0.1341463 0.2259555), wk = 0.0029070 k( 175) = ( 0.0000000 0.1463415 0.2259555), wk = 0.0029070 k( 176) = ( 0.0000000 0.1585366 0.2259555), wk = 0.0029070 k( 177) = ( 0.0000000 0.1707317 0.2259555), wk = 0.0029070 k( 178) = ( 0.0000000 0.1829268 0.2259555), wk = 0.0029070 k( 179) = ( 0.0000000 0.1951219 0.2259555), wk = 0.0029070 k( 180) = ( 0.0000000 0.2073171 0.2259555), wk = 0.0029070 k( 181) = ( 0.0000000 0.2195122 0.2259555), wk = 0.0029070 k( 182) = ( 0.0000000 0.2317073 0.2259555), wk = 0.0029070 k( 183) = ( 0.0000000 0.2439024 0.2259555), wk = 0.0029070 k( 184) = ( 0.0000000 0.2560976 0.2259555), wk = 0.0029070 k( 185) = ( 0.0000000 0.2682927 0.2259555), wk = 0.0029070 k( 186) = ( 0.0000000 0.2804878 0.2259555), wk = 0.0029070 k( 187) = ( 0.0000000 0.2926829 0.2259555), wk = 0.0029070 k( 188) = ( 0.0000000 0.3048781 0.2259555), wk = 0.0029070 k( 189) = ( 0.0000000 0.3170732 0.2259555), wk = 0.0029070 k( 190) = ( 0.0000000 0.3292683 0.2259555), wk = 0.0029070 k( 191) = ( 0.0000000 0.3414634 0.2259555), wk = 0.0029070 k( 192) = ( 0.0000000 0.3536585 0.2259555), wk = 0.0029070 k( 193) = ( 0.0000000 0.3658537 0.2259555), wk = 0.0029070 k( 194) = ( 0.0000000 0.3780488 0.2259555), wk = 0.0029070 k( 195) = ( 0.0000000 0.3902439 0.2259555), wk = 0.0029070 k( 196) = ( 0.0000000 0.4024390 0.2259555), wk = 0.0029070 k( 197) = ( 0.0000000 0.4146341 0.2259555), wk = 0.0029070 k( 198) = ( 0.0000000 0.4268293 0.2259555), wk = 0.0029070 k( 199) = ( 0.0000000 0.4390244 0.2259555), wk = 0.0029070 k( 200) = ( 0.0000000 0.4512195 0.2259555), wk = 0.0029070 k( 201) = ( 0.0000000 0.4634146 0.2259555), wk = 0.0029070 k( 202) = ( 0.0000000 0.4756098 0.2259555), wk = 0.0029070 k( 203) = ( 0.0000000 0.4878049 0.2259555), wk = 0.0029070 k( 204) = ( 0.0000000 0.5000000 0.2259555), wk = 0.0029070 k( 205) = ( 0.0000000 0.5000000 0.2259555), wk = 0.0029070 k( 206) = ( 0.0121951 0.5000000 0.2259555), wk = 0.0029070 k( 207) = ( 0.0243902 0.5000000 0.2259555), wk = 0.0029070 k( 208) = ( 0.0365854 0.5000000 0.2259555), wk = 0.0029070 k( 209) = ( 0.0487805 0.5000000 0.2259555), wk = 0.0029070 k( 210) = ( 0.0609756 0.5000000 0.2259555), wk = 0.0029070 k( 211) = ( 0.0731707 0.5000000 0.2259555), wk = 0.0029070 k( 212) = ( 0.0853658 0.5000000 0.2259555), wk = 0.0029070 k( 213) = ( 0.0975610 0.5000000 0.2259555), wk = 0.0029070 k( 214) = ( 0.1097561 0.5000000 0.2259555), wk = 0.0029070 k( 215) = ( 0.1219512 0.5000000 0.2259555), wk = 0.0029070 k( 216) = ( 0.1341463 0.5000000 0.2259555), wk = 0.0029070 k( 217) = ( 0.1463415 0.5000000 0.2259555), wk = 0.0029070 k( 218) = ( 0.1585366 0.5000000 0.2259555), wk = 0.0029070 k( 219) = ( 0.1707317 0.5000000 0.2259555), wk = 0.0029070 k( 220) = ( 0.1829268 0.5000000 0.2259555), wk = 0.0029070 k( 221) = ( 0.1951219 0.5000000 0.2259555), wk = 0.0029070 k( 222) = ( 0.2073171 0.5000000 0.2259555), wk = 0.0029070 k( 223) = ( 0.2195122 0.5000000 0.2259555), wk = 0.0029070 k( 224) = ( 0.2317073 0.5000000 0.2259555), wk = 0.0029070 k( 225) = ( 0.2439024 0.5000000 0.2259555), wk = 0.0029070 k( 226) = ( 0.2560976 0.5000000 0.2259555), wk = 0.0029070 k( 227) = ( 0.2682927 0.5000000 0.2259555), wk = 0.0029070 k( 228) = ( 0.2804878 0.5000000 0.2259555), wk = 0.0029070 k( 229) = ( 0.2926829 0.5000000 0.2259555), wk = 0.0029070 k( 230) = ( 0.3048781 0.5000000 0.2259555), wk = 0.0029070 k( 231) = ( 0.3170732 0.5000000 0.2259555), wk = 0.0029070 k( 232) = ( 0.3292683 0.5000000 0.2259555), wk = 0.0029070 k( 233) = ( 0.3414634 0.5000000 0.2259555), wk = 0.0029070 k( 234) = ( 0.3536585 0.5000000 0.2259555), wk = 0.0029070 k( 235) = ( 0.3658537 0.5000000 0.2259555), wk = 0.0029070 k( 236) = ( 0.3780488 0.5000000 0.2259555), wk = 0.0029070 k( 237) = ( 0.3902439 0.5000000 0.2259555), wk = 0.0029070 k( 238) = ( 0.4024390 0.5000000 0.2259555), wk = 0.0029070 k( 239) = ( 0.4146341 0.5000000 0.2259555), wk = 0.0029070 k( 240) = ( 0.4268293 0.5000000 0.2259555), wk = 0.0029070 k( 241) = ( 0.4390244 0.5000000 0.2259555), wk = 0.0029070 k( 242) = ( 0.4512195 0.5000000 0.2259555), wk = 0.0029070 k( 243) = ( 0.4634146 0.5000000 0.2259555), wk = 0.0029070 k( 244) = ( 0.4756098 0.5000000 0.2259555), wk = 0.0029070 k( 245) = ( 0.4878049 0.5000000 0.2259555), wk = 0.0029070 k( 246) = ( 0.5000000 0.5000000 0.2259555), wk = 0.0029070 k( 247) = ( 0.5000000 0.5000000 0.2259555), wk = 0.0029070 k( 248) = ( 0.4912281 0.4912281 0.2259555), wk = 0.0029070 k( 249) = ( 0.4824561 0.4824561 0.2259555), wk = 0.0029070 k( 250) = ( 0.4736842 0.4736842 0.2259555), wk = 0.0029070 k( 251) = ( 0.4649123 0.4649123 0.2259555), wk = 0.0029070 k( 252) = ( 0.4561404 0.4561403 0.2259555), wk = 0.0029070 k( 253) = ( 0.4473684 0.4473684 0.2259555), wk = 0.0029070 k( 254) = ( 0.4385965 0.4385965 0.2259555), wk = 0.0029070 k( 255) = ( 0.4298246 0.4298246 0.2259555), wk = 0.0029070 k( 256) = ( 0.4210526 0.4210526 0.2259555), wk = 0.0029070 k( 257) = ( 0.4122807 0.4122807 0.2259555), wk = 0.0029070 k( 258) = ( 0.4035088 0.4035088 0.2259555), wk = 0.0029070 k( 259) = ( 0.3947368 0.3947368 0.2259555), wk = 0.0029070 k( 260) = ( 0.3859649 0.3859649 0.2259555), wk = 0.0029070 k( 261) = ( 0.3771930 0.3771930 0.2259555), wk = 0.0029070 k( 262) = ( 0.3684211 0.3684210 0.2259555), wk = 0.0029070 k( 263) = ( 0.3596491 0.3596491 0.2259555), wk = 0.0029070 k( 264) = ( 0.3508772 0.3508772 0.2259555), wk = 0.0029070 k( 265) = ( 0.3421053 0.3421053 0.2259555), wk = 0.0029070 k( 266) = ( 0.3333333 0.3333333 0.2259555), wk = 0.0029070 k( 267) = ( 0.3245614 0.3245614 0.2259555), wk = 0.0029070 k( 268) = ( 0.3157895 0.3157895 0.2259555), wk = 0.0029070 k( 269) = ( 0.3070175 0.3070175 0.2259555), wk = 0.0029070 k( 270) = ( 0.2982456 0.2982456 0.2259555), wk = 0.0029070 k( 271) = ( 0.2894737 0.2894737 0.2259555), wk = 0.0029070 k( 272) = ( 0.2807018 0.2807017 0.2259555), wk = 0.0029070 k( 273) = ( 0.2719298 0.2719298 0.2259555), wk = 0.0029070 k( 274) = ( 0.2631579 0.2631579 0.2259555), wk = 0.0029070 k( 275) = ( 0.2543860 0.2543860 0.2259555), wk = 0.0029070 k( 276) = ( 0.2456140 0.2456140 0.2259555), wk = 0.0029070 k( 277) = ( 0.2368421 0.2368421 0.2259555), wk = 0.0029070 k( 278) = ( 0.2280702 0.2280702 0.2259555), wk = 0.0029070 k( 279) = ( 0.2192983 0.2192982 0.2259555), wk = 0.0029070 k( 280) = ( 0.2105263 0.2105263 0.2259555), wk = 0.0029070 k( 281) = ( 0.2017544 0.2017544 0.2259555), wk = 0.0029070 k( 282) = ( 0.1929825 0.1929825 0.2259555), wk = 0.0029070 k( 283) = ( 0.1842105 0.1842105 0.2259555), wk = 0.0029070 k( 284) = ( 0.1754386 0.1754386 0.2259555), wk = 0.0029070 k( 285) = ( 0.1666667 0.1666667 0.2259555), wk = 0.0029070 k( 286) = ( 0.1578947 0.1578947 0.2259555), wk = 0.0029070 k( 287) = ( 0.1491228 0.1491228 0.2259555), wk = 0.0029070 k( 288) = ( 0.1403509 0.1403509 0.2259555), wk = 0.0029070 k( 289) = ( 0.1315790 0.1315790 0.2259555), wk = 0.0029070 k( 290) = ( 0.1228070 0.1228070 0.2259555), wk = 0.0029070 k( 291) = ( 0.1140351 0.1140351 0.2259555), wk = 0.0029070 k( 292) = ( 0.1052632 0.1052632 0.2259555), wk = 0.0029070 k( 293) = ( 0.0964912 0.0964912 0.2259555), wk = 0.0029070 k( 294) = ( 0.0877193 0.0877193 0.2259555), wk = 0.0029070 k( 295) = ( 0.0789474 0.0789474 0.2259555), wk = 0.0029070 k( 296) = ( 0.0701754 0.0701754 0.2259555), wk = 0.0029070 k( 297) = ( 0.0614035 0.0614035 0.2259555), wk = 0.0029070 k( 298) = ( 0.0526316 0.0526316 0.2259555), wk = 0.0029070 k( 299) = ( 0.0438597 0.0438596 0.2259555), wk = 0.0029070 k( 300) = ( 0.0350877 0.0350877 0.2259555), wk = 0.0029070 k( 301) = ( 0.0263158 0.0263158 0.2259555), wk = 0.0029070 k( 302) = ( 0.0175439 0.0175439 0.2259555), wk = 0.0029070 k( 303) = ( 0.0087719 0.0087719 0.2259555), wk = 0.0029070 k( 304) = ( 0.0000000 0.0000000 0.2259555), wk = 0.0029070 k( 305) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 306) = ( 0.0000000 0.5000000 0.0118924), wk = 0.0029070 k( 307) = ( 0.0000000 0.5000000 0.0237848), wk = 0.0029070 k( 308) = ( 0.0000000 0.5000000 0.0356772), wk = 0.0029070 k( 309) = ( 0.0000000 0.5000000 0.0475696), wk = 0.0029070 k( 310) = ( 0.0000000 0.5000000 0.0594620), wk = 0.0029070 k( 311) = ( 0.0000000 0.5000000 0.0713544), wk = 0.0029070 k( 312) = ( 0.0000000 0.5000000 0.0832468), wk = 0.0029070 k( 313) = ( 0.0000000 0.5000000 0.0951392), wk = 0.0029070 k( 314) = ( 0.0000000 0.5000000 0.1070315), wk = 0.0029070 k( 315) = ( 0.0000000 0.5000000 0.1189239), wk = 0.0029070 k( 316) = ( 0.0000000 0.5000000 0.1308163), wk = 0.0029070 k( 317) = ( 0.0000000 0.5000000 0.1427087), wk = 0.0029070 k( 318) = ( 0.0000000 0.5000000 0.1546011), wk = 0.0029070 k( 319) = ( 0.0000000 0.5000000 0.1664935), wk = 0.0029070 k( 320) = ( 0.0000000 0.5000000 0.1783859), wk = 0.0029070 k( 321) = ( 0.0000000 0.5000000 0.1902783), wk = 0.0029070 k( 322) = ( 0.0000000 0.5000000 0.2021707), wk = 0.0029070 k( 323) = ( 0.0000000 0.5000000 0.2140631), wk = 0.0029070 k( 324) = ( 0.0000000 0.5000000 0.2259555), wk = 0.0029070 k( 325) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 326) = ( 0.5000000 0.5000000 0.0118924), wk = 0.0029070 k( 327) = ( 0.5000000 0.5000000 0.0237848), wk = 0.0029070 k( 328) = ( 0.5000000 0.5000000 0.0356772), wk = 0.0029070 k( 329) = ( 0.5000000 0.5000000 0.0475696), wk = 0.0029070 k( 330) = ( 0.5000000 0.5000000 0.0594620), wk = 0.0029070 k( 331) = ( 0.5000000 0.5000000 0.0713544), wk = 0.0029070 k( 332) = ( 0.5000000 0.5000000 0.0832468), wk = 0.0029070 k( 333) = ( 0.5000000 0.5000000 0.0951392), wk = 0.0029070 k( 334) = ( 0.5000000 0.5000000 0.1070315), wk = 0.0029070 k( 335) = ( 0.5000000 0.5000000 0.1189239), wk = 0.0029070 k( 336) = ( 0.5000000 0.5000000 0.1308163), wk = 0.0029070 k( 337) = ( 0.5000000 0.5000000 0.1427087), wk = 0.0029070 k( 338) = ( 0.5000000 0.5000000 0.1546011), wk = 0.0029070 k( 339) = ( 0.5000000 0.5000000 0.1664935), wk = 0.0029070 k( 340) = ( 0.5000000 0.5000000 0.1783859), wk = 0.0029070 k( 341) = ( 0.5000000 0.5000000 0.1902783), wk = 0.0029070 k( 342) = ( 0.5000000 0.5000000 0.2021707), wk = 0.0029070 k( 343) = ( 0.5000000 0.5000000 0.2140631), wk = 0.0029070 k( 344) = ( 0.5000000 0.5000000 0.2259555), wk = 0.0029070 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0029070 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0029070 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0029070 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0029070 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0029070 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0029070 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0029070 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0029070 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0029070 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0029070 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0029070 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0029070 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0029070 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0029070 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0029070 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0029070 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0029070 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0029070 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0029070 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0029070 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0029070 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0029070 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0029070 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0029070 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0029070 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0029070 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0029070 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0029070 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0029070 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0029070 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0029070 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0029070 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0029070 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0029070 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0029070 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0029070 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0029070 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0029070 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0029070 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0029070 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0029070 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0029070 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0029070 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0029070 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0029070 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0029070 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0029070 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0029070 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0029070 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0029070 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0029070 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0029070 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0029070 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0029070 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0029070 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0029070 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0029070 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0029070 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0029070 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0029070 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0029070 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0029070 k( 66) = ( 0.2804878 0.5000000 0.0000000), wk = 0.0029070 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0029070 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0029070 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0029070 k( 70) = ( 0.3292683 0.5000000 0.0000000), wk = 0.0029070 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0029070 k( 72) = ( 0.3536585 0.5000000 0.0000000), wk = 0.0029070 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0029070 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0029070 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0029070 k( 76) = ( 0.4024390 0.5000000 0.0000000), wk = 0.0029070 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0029070 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0029070 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0029070 k( 80) = ( 0.4512195 0.5000000 0.0000000), wk = 0.0029070 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0029070 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0029070 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0029070 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 86) = ( 0.4912281 0.4912281 -0.0000000), wk = 0.0029070 k( 87) = ( 0.4824561 0.4824561 0.0000000), wk = 0.0029070 k( 88) = ( 0.4736842 0.4736842 0.0000000), wk = 0.0029070 k( 89) = ( 0.4649123 0.4649123 -0.0000000), wk = 0.0029070 k( 90) = ( 0.4561404 0.4561404 -0.0000000), wk = 0.0029070 k( 91) = ( 0.4473684 0.4473684 0.0000000), wk = 0.0029070 k( 92) = ( 0.4385965 0.4385965 0.0000000), wk = 0.0029070 k( 93) = ( 0.4298246 0.4298246 0.0000000), wk = 0.0029070 k( 94) = ( 0.4210526 0.4210526 -0.0000000), wk = 0.0029070 k( 95) = ( 0.4122807 0.4122807 -0.0000000), wk = 0.0029070 k( 96) = ( 0.4035088 0.4035088 -0.0000000), wk = 0.0029070 k( 97) = ( 0.3947368 0.3947368 -0.0000000), wk = 0.0029070 k( 98) = ( 0.3859649 0.3859649 -0.0000000), wk = 0.0029070 k( 99) = ( 0.3771930 0.3771930 -0.0000000), wk = 0.0029070 k( 100) = ( 0.3684211 0.3684211 -0.0000000), wk = 0.0029070 k( 101) = ( 0.3596491 0.3596491 0.0000000), wk = 0.0029070 k( 102) = ( 0.3508772 0.3508772 0.0000000), wk = 0.0029070 k( 103) = ( 0.3421053 0.3421053 -0.0000000), wk = 0.0029070 k( 104) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029070 k( 105) = ( 0.3245614 0.3245614 0.0000000), wk = 0.0029070 k( 106) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0029070 k( 107) = ( 0.3070175 0.3070175 0.0000000), wk = 0.0029070 k( 108) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0029070 k( 109) = ( 0.2894737 0.2894737 0.0000000), wk = 0.0029070 k( 110) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0029070 k( 111) = ( 0.2719298 0.2719298 0.0000000), wk = 0.0029070 k( 112) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0029070 k( 113) = ( 0.2543860 0.2543860 0.0000000), wk = 0.0029070 k( 114) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0029070 k( 115) = ( 0.2368421 0.2368421 -0.0000000), wk = 0.0029070 k( 116) = ( 0.2280702 0.2280702 -0.0000000), wk = 0.0029070 k( 117) = ( 0.2192983 0.2192983 -0.0000000), wk = 0.0029070 k( 118) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0029070 k( 119) = ( 0.2017544 0.2017544 0.0000000), wk = 0.0029070 k( 120) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0029070 k( 121) = ( 0.1842105 0.1842105 0.0000000), wk = 0.0029070 k( 122) = ( 0.1754386 0.1754386 0.0000000), wk = 0.0029070 k( 123) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029070 k( 124) = ( 0.1578947 0.1578947 0.0000000), wk = 0.0029070 k( 125) = ( 0.1491228 0.1491228 0.0000000), wk = 0.0029070 k( 126) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0029070 k( 127) = ( 0.1315790 0.1315790 0.0000000), wk = 0.0029070 k( 128) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0029070 k( 129) = ( 0.1140351 0.1140351 -0.0000000), wk = 0.0029070 k( 130) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0029070 k( 131) = ( 0.0964912 0.0964912 0.0000000), wk = 0.0029070 k( 132) = ( 0.0877193 0.0877193 0.0000000), wk = 0.0029070 k( 133) = ( 0.0789474 0.0789474 0.0000000), wk = 0.0029070 k( 134) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0029070 k( 135) = ( 0.0614035 0.0614035 0.0000000), wk = 0.0029070 k( 136) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0029070 k( 137) = ( 0.0438597 0.0438597 0.0000000), wk = 0.0029070 k( 138) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0029070 k( 139) = ( 0.0263158 0.0263158 0.0000000), wk = 0.0029070 k( 140) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0029070 k( 141) = ( 0.0087719 0.0087719 0.0000000), wk = 0.0029070 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 144) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0029070 k( 145) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0029070 k( 146) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0029070 k( 147) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0029070 k( 148) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0029070 k( 149) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0029070 k( 150) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0029070 k( 151) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0029070 k( 152) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0029070 k( 153) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0029070 k( 154) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0029070 k( 155) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0029070 k( 158) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0029070 k( 159) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0029070 k( 160) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0029070 k( 161) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0029070 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 164) = ( 0.0000000 0.0121951 0.5000000), wk = 0.0029070 k( 165) = ( 0.0000000 0.0243902 0.5000000), wk = 0.0029070 k( 166) = ( 0.0000000 0.0365854 0.5000000), wk = 0.0029070 k( 167) = ( 0.0000000 0.0487805 0.5000000), wk = 0.0029070 k( 168) = ( 0.0000000 0.0609756 0.5000000), wk = 0.0029070 k( 169) = ( 0.0000000 0.0731707 0.5000000), wk = 0.0029070 k( 170) = ( 0.0000000 0.0853658 0.5000000), wk = 0.0029070 k( 171) = ( 0.0000000 0.0975610 0.5000000), wk = 0.0029070 k( 172) = ( 0.0000000 0.1097561 0.5000000), wk = 0.0029070 k( 173) = ( 0.0000000 0.1219512 0.5000000), wk = 0.0029070 k( 174) = ( 0.0000000 0.1341463 0.5000000), wk = 0.0029070 k( 175) = ( 0.0000000 0.1463415 0.5000000), wk = 0.0029070 k( 176) = ( 0.0000000 0.1585366 0.5000000), wk = 0.0029070 k( 177) = ( 0.0000000 0.1707317 0.5000000), wk = 0.0029070 k( 178) = ( 0.0000000 0.1829268 0.5000000), wk = 0.0029070 k( 179) = ( 0.0000000 0.1951219 0.5000000), wk = 0.0029070 k( 180) = ( 0.0000000 0.2073171 0.5000000), wk = 0.0029070 k( 181) = ( 0.0000000 0.2195122 0.5000000), wk = 0.0029070 k( 182) = ( 0.0000000 0.2317073 0.5000000), wk = 0.0029070 k( 183) = ( 0.0000000 0.2439024 0.5000000), wk = 0.0029070 k( 184) = ( 0.0000000 0.2560976 0.5000000), wk = 0.0029070 k( 185) = ( 0.0000000 0.2682927 0.5000000), wk = 0.0029070 k( 186) = ( 0.0000000 0.2804878 0.5000000), wk = 0.0029070 k( 187) = ( 0.0000000 0.2926829 0.5000000), wk = 0.0029070 k( 188) = ( 0.0000000 0.3048781 0.5000000), wk = 0.0029070 k( 189) = ( 0.0000000 0.3170732 0.5000000), wk = 0.0029070 k( 190) = ( 0.0000000 0.3292683 0.5000000), wk = 0.0029070 k( 191) = ( 0.0000000 0.3414634 0.5000000), wk = 0.0029070 k( 192) = ( 0.0000000 0.3536585 0.5000000), wk = 0.0029070 k( 193) = ( 0.0000000 0.3658537 0.5000000), wk = 0.0029070 k( 194) = ( 0.0000000 0.3780488 0.5000000), wk = 0.0029070 k( 195) = ( 0.0000000 0.3902439 0.5000000), wk = 0.0029070 k( 196) = ( 0.0000000 0.4024390 0.5000000), wk = 0.0029070 k( 197) = ( 0.0000000 0.4146341 0.5000000), wk = 0.0029070 k( 198) = ( 0.0000000 0.4268293 0.5000000), wk = 0.0029070 k( 199) = ( 0.0000000 0.4390244 0.5000000), wk = 0.0029070 k( 200) = ( 0.0000000 0.4512195 0.5000000), wk = 0.0029070 k( 201) = ( 0.0000000 0.4634146 0.5000000), wk = 0.0029070 k( 202) = ( 0.0000000 0.4756098 0.5000000), wk = 0.0029070 k( 203) = ( 0.0000000 0.4878049 0.5000000), wk = 0.0029070 k( 204) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029070 k( 205) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029070 k( 206) = ( 0.0121951 0.5000000 0.5000000), wk = 0.0029070 k( 207) = ( 0.0243902 0.5000000 0.5000000), wk = 0.0029070 k( 208) = ( 0.0365854 0.5000000 0.5000000), wk = 0.0029070 k( 209) = ( 0.0487805 0.5000000 0.5000000), wk = 0.0029070 k( 210) = ( 0.0609756 0.5000000 0.5000000), wk = 0.0029070 k( 211) = ( 0.0731707 0.5000000 0.5000000), wk = 0.0029070 k( 212) = ( 0.0853658 0.5000000 0.5000000), wk = 0.0029070 k( 213) = ( 0.0975610 0.5000000 0.5000000), wk = 0.0029070 k( 214) = ( 0.1097561 0.5000000 0.5000000), wk = 0.0029070 k( 215) = ( 0.1219512 0.5000000 0.5000000), wk = 0.0029070 k( 216) = ( 0.1341463 0.5000000 0.5000000), wk = 0.0029070 k( 217) = ( 0.1463415 0.5000000 0.5000000), wk = 0.0029070 k( 218) = ( 0.1585366 0.5000000 0.5000000), wk = 0.0029070 k( 219) = ( 0.1707317 0.5000000 0.5000000), wk = 0.0029070 k( 220) = ( 0.1829268 0.5000000 0.5000000), wk = 0.0029070 k( 221) = ( 0.1951219 0.5000000 0.5000000), wk = 0.0029070 k( 222) = ( 0.2073171 0.5000000 0.5000000), wk = 0.0029070 k( 223) = ( 0.2195122 0.5000000 0.5000000), wk = 0.0029070 k( 224) = ( 0.2317073 0.5000000 0.5000000), wk = 0.0029070 k( 225) = ( 0.2439024 0.5000000 0.5000000), wk = 0.0029070 k( 226) = ( 0.2560976 0.5000000 0.5000000), wk = 0.0029070 k( 227) = ( 0.2682927 0.5000000 0.5000000), wk = 0.0029070 k( 228) = ( 0.2804878 0.5000000 0.5000000), wk = 0.0029070 k( 229) = ( 0.2926829 0.5000000 0.5000000), wk = 0.0029070 k( 230) = ( 0.3048781 0.5000000 0.5000000), wk = 0.0029070 k( 231) = ( 0.3170732 0.5000000 0.5000000), wk = 0.0029070 k( 232) = ( 0.3292683 0.5000000 0.5000000), wk = 0.0029070 k( 233) = ( 0.3414634 0.5000000 0.5000000), wk = 0.0029070 k( 234) = ( 0.3536585 0.5000000 0.5000000), wk = 0.0029070 k( 235) = ( 0.3658537 0.5000000 0.5000000), wk = 0.0029070 k( 236) = ( 0.3780488 0.5000000 0.5000000), wk = 0.0029070 k( 237) = ( 0.3902439 0.5000000 0.5000000), wk = 0.0029070 k( 238) = ( 0.4024390 0.5000000 0.5000000), wk = 0.0029070 k( 239) = ( 0.4146341 0.5000000 0.5000000), wk = 0.0029070 k( 240) = ( 0.4268293 0.5000000 0.5000000), wk = 0.0029070 k( 241) = ( 0.4390244 0.5000000 0.5000000), wk = 0.0029070 k( 242) = ( 0.4512195 0.5000000 0.5000000), wk = 0.0029070 k( 243) = ( 0.4634146 0.5000000 0.5000000), wk = 0.0029070 k( 244) = ( 0.4756098 0.5000000 0.5000000), wk = 0.0029070 k( 245) = ( 0.4878049 0.5000000 0.5000000), wk = 0.0029070 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 248) = ( 0.4912281 0.4912281 0.5000000), wk = 0.0029070 k( 249) = ( 0.4824561 0.4824561 0.5000000), wk = 0.0029070 k( 250) = ( 0.4736842 0.4736842 0.5000000), wk = 0.0029070 k( 251) = ( 0.4649123 0.4649123 0.5000000), wk = 0.0029070 k( 252) = ( 0.4561404 0.4561404 0.5000000), wk = 0.0029070 k( 253) = ( 0.4473684 0.4473684 0.5000000), wk = 0.0029070 k( 254) = ( 0.4385965 0.4385965 0.5000000), wk = 0.0029070 k( 255) = ( 0.4298246 0.4298246 0.5000000), wk = 0.0029070 k( 256) = ( 0.4210526 0.4210526 0.5000000), wk = 0.0029070 k( 257) = ( 0.4122807 0.4122807 0.5000000), wk = 0.0029070 k( 258) = ( 0.4035088 0.4035088 0.5000000), wk = 0.0029070 k( 259) = ( 0.3947368 0.3947368 0.5000000), wk = 0.0029070 k( 260) = ( 0.3859649 0.3859649 0.5000000), wk = 0.0029070 k( 261) = ( 0.3771930 0.3771930 0.5000000), wk = 0.0029070 k( 262) = ( 0.3684211 0.3684211 0.5000000), wk = 0.0029070 k( 263) = ( 0.3596491 0.3596491 0.5000000), wk = 0.0029070 k( 264) = ( 0.3508772 0.3508772 0.5000000), wk = 0.0029070 k( 265) = ( 0.3421053 0.3421053 0.5000000), wk = 0.0029070 k( 266) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029070 k( 267) = ( 0.3245614 0.3245614 0.5000000), wk = 0.0029070 k( 268) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0029070 k( 269) = ( 0.3070175 0.3070175 0.5000000), wk = 0.0029070 k( 270) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0029070 k( 271) = ( 0.2894737 0.2894737 0.5000000), wk = 0.0029070 k( 272) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0029070 k( 273) = ( 0.2719298 0.2719298 0.5000000), wk = 0.0029070 k( 274) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0029070 k( 275) = ( 0.2543860 0.2543860 0.5000000), wk = 0.0029070 k( 276) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0029070 k( 277) = ( 0.2368421 0.2368421 0.5000000), wk = 0.0029070 k( 278) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0029070 k( 279) = ( 0.2192983 0.2192983 0.5000000), wk = 0.0029070 k( 280) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0029070 k( 281) = ( 0.2017544 0.2017544 0.5000000), wk = 0.0029070 k( 282) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0029070 k( 283) = ( 0.1842105 0.1842105 0.5000000), wk = 0.0029070 k( 284) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0029070 k( 285) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029070 k( 286) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0029070 k( 287) = ( 0.1491228 0.1491228 0.5000000), wk = 0.0029070 k( 288) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0029070 k( 289) = ( 0.1315790 0.1315790 0.5000000), wk = 0.0029070 k( 290) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0029070 k( 291) = ( 0.1140351 0.1140351 0.5000000), wk = 0.0029070 k( 292) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0029070 k( 293) = ( 0.0964912 0.0964912 0.5000000), wk = 0.0029070 k( 294) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0029070 k( 295) = ( 0.0789474 0.0789474 0.5000000), wk = 0.0029070 k( 296) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0029070 k( 297) = ( 0.0614035 0.0614035 0.5000000), wk = 0.0029070 k( 298) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0029070 k( 299) = ( 0.0438597 0.0438597 0.5000000), wk = 0.0029070 k( 300) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0029070 k( 301) = ( 0.0263158 0.0263158 0.5000000), wk = 0.0029070 k( 302) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0029070 k( 303) = ( 0.0087719 0.0087719 0.5000000), wk = 0.0029070 k( 304) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 305) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 306) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0029070 k( 307) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0029070 k( 308) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0029070 k( 309) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0029070 k( 310) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0029070 k( 311) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0029070 k( 312) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0029070 k( 313) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0029070 k( 314) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0029070 k( 315) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0029070 k( 316) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0029070 k( 317) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0029070 k( 318) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0029070 k( 319) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0029070 k( 320) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0029070 k( 321) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0029070 k( 322) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0029070 k( 323) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0029070 k( 324) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029070 k( 325) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 326) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0029070 k( 327) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0029070 k( 328) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0029070 k( 329) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0029070 k( 330) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0029070 k( 331) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0029070 k( 332) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0029070 k( 333) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0029070 k( 334) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0029070 k( 335) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0029070 k( 336) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0029070 k( 337) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0029070 k( 338) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0029070 k( 339) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0029070 k( 340) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0029070 k( 341) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0029070 k( 342) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0029070 k( 343) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0029070 k( 344) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 Dense grid: 64773 G-vectors FFT dimensions: ( 40, 40, 90) Smooth grid: 39755 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 224, 62) NL pseudopotentials 0.35 Mb ( 112, 204) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1352) G-vector shells 0.01 Mb ( 665) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 224, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./Hf2GaSb3.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.7 secs Computing kpt #: 2 total cpu time spent up to now is 48.4 secs Computing kpt #: 3 total cpu time spent up to now is 50.9 secs Computing kpt #: 4 total cpu time spent up to now is 53.7 secs Computing kpt #: 5 total cpu time spent up to now is 56.5 secs Computing kpt #: 6 total cpu time spent up to now is 59.5 secs Computing kpt #: 7 total cpu time spent up to now is 62.7 secs Computing kpt #: 8 total cpu time spent up to now is 65.7 secs Computing kpt #: 9 total cpu time spent up to now is 68.9 secs Computing kpt #: 10 total cpu time spent up to now is 72.0 secs Computing kpt #: 11 total cpu time spent up to now is 75.1 secs Computing kpt #: 12 total cpu time spent up to now is 78.3 secs Computing kpt #: 13 total cpu time spent up to now is 81.5 secs Computing kpt #: 14 total cpu time spent up to now is 84.7 secs Computing kpt #: 15 total cpu time spent up to now is 88.0 secs Computing kpt #: 16 total cpu time spent up to now is 91.2 secs Computing kpt #: 17 total cpu time spent up to now is 94.3 secs Computing kpt #: 18 total cpu time spent up to now is 97.5 secs Computing kpt #: 19 total cpu time spent up to now is 100.4 secs Computing kpt #: 20 total cpu time spent up to now is 103.4 secs Computing kpt #: 21 total cpu time spent up to now is 106.5 secs Computing kpt #: 22 total cpu time spent up to now is 109.4 secs Computing kpt #: 23 total cpu time spent up to now is 112.4 secs Computing kpt #: 24 total cpu time spent up to now is 115.5 secs Computing kpt #: 25 total cpu time spent up to now is 119.0 secs Computing kpt #: 26 total cpu time spent up to now is 122.5 secs Computing kpt #: 27 total cpu time spent up to now is 125.8 secs Computing kpt #: 28 total cpu time spent up to now is 129.2 secs Computing kpt #: 29 total cpu time spent up to now is 132.4 secs Computing kpt #: 30 total cpu time spent up to now is 135.5 secs Computing kpt #: 31 total cpu time spent up to now is 138.5 secs Computing kpt #: 32 total cpu time spent up to now is 141.5 secs Computing kpt #: 33 total cpu time spent up to now is 144.5 secs Computing kpt #: 34 total cpu time spent up to now is 147.7 secs Computing kpt #: 35 total cpu time spent up to now is 151.1 secs Computing kpt #: 36 total cpu time spent up to now is 154.7 secs Computing kpt #: 37 total cpu time spent up to now is 158.7 secs Computing kpt #: 38 total cpu time spent up to now is 162.2 secs Computing kpt #: 39 total cpu time spent up to now is 165.3 secs Computing kpt #: 40 total cpu time spent up to now is 168.6 secs Computing kpt #: 41 total cpu time spent up to now is 171.8 secs Computing kpt #: 42 total cpu time spent up to now is 174.8 secs Computing kpt #: 43 total cpu time spent up to now is 177.8 secs Computing kpt #: 44 total cpu time spent up to now is 180.9 secs Computing kpt #: 45 total cpu time spent up to now is 183.9 secs Computing kpt #: 46 total cpu time spent up to now is 186.9 secs Computing kpt #: 47 total cpu time spent up to now is 189.8 secs Computing kpt #: 48 total cpu time spent up to now is 192.9 secs Computing kpt #: 49 total cpu time spent up to now is 195.9 secs Computing kpt #: 50 total cpu time spent up to now is 199.0 secs Computing kpt #: 51 total cpu time spent up to now is 202.0 secs Computing kpt #: 52 total cpu time spent up to now is 204.9 secs Computing kpt #: 53 total cpu time spent up to now is 207.8 secs Computing kpt #: 54 total cpu time spent up to now is 210.9 secs Computing kpt #: 55 total cpu time spent up to now is 213.7 secs Computing kpt #: 56 total cpu time spent up to now is 216.4 secs Computing kpt #: 57 total cpu time spent up to now is 219.3 secs Computing kpt #: 58 total cpu time spent up to now is 222.3 secs Computing kpt #: 59 total cpu time spent up to now is 225.3 secs Computing kpt #: 60 total cpu time spent up to now is 228.4 secs Computing kpt #: 61 total cpu time spent up to now is 231.6 secs Computing kpt #: 62 total cpu time spent up to now is 235.2 secs Computing kpt #: 63 total cpu time spent up to now is 238.3 secs Computing kpt #: 64 total cpu time spent up to now is 241.2 secs Computing kpt #: 65 total cpu time spent up to now is 244.1 secs Computing kpt #: 66 total cpu time spent up to now is 246.9 secs Computing kpt #: 67 total cpu time spent up to now is 249.8 secs Computing kpt #: 68 total cpu time spent up to now is 252.7 secs Computing kpt #: 69 total cpu time spent up to now is 255.5 secs Computing kpt #: 70 total cpu time spent up to now is 258.2 secs Computing kpt #: 71 total cpu time spent up to now is 260.9 secs Computing kpt #: 72 total cpu time spent up to now is 263.8 secs Computing kpt #: 73 total cpu time spent up to now is 266.6 secs Computing kpt #: 74 total cpu time spent up to now is 269.7 secs Computing kpt #: 75 total cpu time spent up to now is 272.6 secs Computing kpt #: 76 total cpu time spent up to now is 275.7 secs Computing kpt #: 77 total cpu time spent up to now is 278.9 secs Computing kpt #: 78 total cpu time spent up to now is 282.1 secs Computing kpt #: 79 total cpu time spent up to now is 285.3 secs Computing kpt #: 80 total cpu time spent up to now is 288.6 secs Computing kpt #: 81 total cpu time spent up to now is 292.0 secs Computing kpt #: 82 total cpu time spent up to now is 295.4 secs Computing kpt #: 83 total cpu time spent up to now is 298.8 secs Computing kpt #: 84 total cpu time spent up to now is 302.2 secs Computing kpt #: 85 total cpu time spent up to now is 305.7 secs Computing kpt #: 86 total cpu time spent up to now is 309.2 secs Computing kpt #: 87 total cpu time spent up to now is 312.6 secs Computing kpt #: 88 total cpu time spent up to now is 316.0 secs Computing kpt #: 89 total cpu time spent up to now is 319.4 secs Computing kpt #: 90 total cpu time spent up to now is 322.7 secs Computing kpt #: 91 total cpu time spent up to now is 325.9 secs Computing kpt #: 92 total cpu time spent up to now is 329.1 secs Computing kpt #: 93 total cpu time spent up to now is 332.3 secs Computing kpt #: 94 total cpu time spent up to now is 335.4 secs Computing kpt #: 95 total cpu time spent up to now is 338.2 secs Computing kpt #: 96 total cpu time spent up to now is 341.2 secs Computing kpt #: 97 total cpu time spent up to now is 344.1 secs Computing kpt #: 98 total cpu time spent up to now is 347.2 secs Computing kpt #: 99 total cpu time spent up to now is 350.2 secs Computing kpt #: 100 total cpu time spent up to now is 353.6 secs Computing kpt #: 101 total cpu time spent up to now is 356.9 secs Computing kpt #: 102 total cpu time spent up to now is 360.3 secs Computing kpt #: 103 total cpu time spent up to now is 363.8 secs Computing kpt #: 104 total cpu time spent up to now is 367.4 secs Computing kpt #: 105 total cpu time spent up to now is 371.0 secs Computing kpt #: 106 total cpu time spent up to now is 374.6 secs Computing kpt #: 107 total cpu time spent up to now is 378.1 secs Computing kpt #: 108 total cpu time spent up to now is 381.6 secs Computing kpt #: 109 total cpu time spent up to now is 385.2 secs Computing kpt #: 110 total cpu time spent up to now is 389.1 secs Computing kpt #: 111 total cpu time spent up to now is 392.9 secs Computing kpt #: 112 total cpu time spent up to now is 396.6 secs Computing kpt #: 113 total cpu time spent up to now is 400.1 secs Computing kpt #: 114 total cpu time spent up to now is 403.4 secs Computing kpt #: 115 total cpu time spent up to now is 406.4 secs Computing kpt #: 116 total cpu time spent up to now is 409.4 secs Computing kpt #: 117 total cpu time spent up to now is 412.4 secs Computing kpt #: 118 total cpu time spent up to now is 415.5 secs Computing kpt #: 119 total cpu time spent up to now is 418.9 secs Computing kpt #: 120 total cpu time spent up to now is 422.2 secs Computing kpt #: 121 total cpu time spent up to now is 425.9 secs Computing kpt #: 122 total cpu time spent up to now is 429.2 secs Computing kpt #: 123 total cpu time spent up to now is 432.5 secs Computing kpt #: 124 total cpu time spent up to now is 435.4 secs Computing kpt #: 125 total cpu time spent up to now is 438.5 secs Computing kpt #: 126 total cpu time spent up to now is 441.4 secs Computing kpt #: 127 total cpu time spent up to now is 444.4 secs Computing kpt #: 128 total cpu time spent up to now is 447.2 secs Computing kpt #: 129 total cpu time spent up to now is 450.1 secs Computing kpt #: 130 total cpu time spent up to now is 452.9 secs Computing kpt #: 131 total cpu time spent up to now is 455.5 secs Computing kpt #: 132 total cpu time spent up to now is 458.1 secs Computing kpt #: 133 total cpu time spent up to now is 460.6 secs Computing kpt #: 134 total cpu time spent up to now is 463.4 secs Computing kpt #: 135 total cpu time spent up to now is 466.2 secs Computing kpt #: 136 total cpu time spent up to now is 468.8 secs Computing kpt #: 137 total cpu time spent up to now is 471.5 secs Computing kpt #: 138 total cpu time spent up to now is 474.0 secs Computing kpt #: 139 total cpu time spent up to now is 476.8 secs Computing kpt #: 140 total cpu time spent up to now is 479.5 secs Computing kpt #: 141 total cpu time spent up to now is 481.9 secs Computing kpt #: 142 total cpu time spent up to now is 484.0 secs Computing kpt #: 143 total cpu time spent up to now is 486.3 secs Computing kpt #: 144 total cpu time spent up to now is 488.7 secs Computing kpt #: 145 total cpu time spent up to now is 490.8 secs Computing kpt #: 146 total cpu time spent up to now is 493.1 secs Computing kpt #: 147 total cpu time spent up to now is 495.4 secs Computing kpt #: 148 total cpu time spent up to now is 497.7 secs Computing kpt #: 149 total cpu time spent up to now is 500.1 secs Computing kpt #: 150 total cpu time spent up to now is 502.5 secs Computing kpt #: 151 total cpu time spent up to now is 504.9 secs Computing kpt #: 152 total cpu time spent up to now is 507.3 secs Computing kpt #: 153 total cpu time spent up to now is 509.7 secs Computing kpt #: 154 total cpu time spent up to now is 512.4 secs Computing kpt #: 155 total cpu time spent up to now is 514.8 secs Computing kpt #: 156 total cpu time spent up to now is 517.1 secs Computing kpt #: 157 total cpu time spent up to now is 519.4 secs Computing kpt #: 158 total cpu time spent up to now is 521.8 secs Computing kpt #: 159 total cpu time spent up to now is 524.6 secs Computing kpt #: 160 total cpu time spent up to now is 527.0 secs Computing kpt #: 161 total cpu time spent up to now is 529.3 secs Computing kpt #: 162 total cpu time spent up to now is 532.4 secs Computing kpt #: 163 total cpu time spent up to now is 536.0 secs Computing kpt #: 164 total cpu time spent up to now is 539.4 secs Computing kpt #: 165 total cpu time spent up to now is 542.2 secs Computing kpt #: 166 total cpu time spent up to now is 545.1 secs Computing kpt #: 167 total cpu time spent up to now is 548.0 secs Computing kpt #: 168 total cpu time spent up to now is 551.0 secs Computing kpt #: 169 total cpu time spent up to now is 553.9 secs Computing kpt #: 170 total cpu time spent up to now is 557.0 secs Computing kpt #: 171 total cpu time spent up to now is 559.9 secs Computing kpt #: 172 total cpu time spent up to now is 562.9 secs Computing kpt #: 173 total cpu time spent up to now is 565.9 secs Computing kpt #: 174 total cpu time spent up to now is 568.8 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 577.4 secs Computing kpt #: 178 total cpu time spent up to now is 580.2 secs Computing kpt #: 179 total cpu time spent up to now is 582.9 secs Computing kpt #: 180 total cpu time spent up to now is 585.8 secs Computing kpt #: 181 total cpu time spent up to now is 588.6 secs Computing kpt #: 182 total cpu time spent up to now is 591.6 secs Computing kpt #: 183 total cpu time spent up to now is 594.6 secs Computing kpt #: 184 total cpu time spent up to now is 598.0 secs Computing kpt #: 185 total cpu time spent up to now is 601.6 secs Computing kpt #: 186 total cpu time spent up to now is 605.1 secs Computing kpt #: 187 total cpu time spent up to now is 608.1 secs Computing kpt #: 188 total cpu time spent up to now is 611.0 secs Computing kpt #: 189 total cpu time spent up to now is 613.8 secs Computing kpt #: 190 total cpu time spent up to now is 616.8 secs Computing kpt #: 191 total cpu time spent up to now is 619.7 secs Computing kpt #: 192 total cpu time spent up to now is 622.6 secs Computing kpt #: 193 total cpu time spent up to now is 625.4 secs Computing kpt #: 194 total cpu time spent up to now is 628.4 secs Computing kpt #: 195 total cpu time spent up to now is 631.3 secs Computing kpt #: 196 total cpu time spent up to now is 634.4 secs Computing kpt #: 197 total cpu time spent up to now is 637.6 secs Computing kpt #: 198 total cpu time spent up to now is 641.2 secs Computing kpt #: 199 total cpu time spent up to now is 644.3 secs Computing kpt #: 200 total cpu time spent up to now is 647.5 secs Computing kpt #: 201 total cpu time spent up to now is 650.6 secs Computing kpt #: 202 total cpu time spent up to now is 653.7 secs Computing kpt #: 203 total cpu time spent up to now is 656.6 secs Computing kpt #: 204 total cpu time spent up to now is 659.7 secs Computing kpt #: 205 total cpu time spent up to now is 662.6 secs Computing kpt #: 206 total cpu time spent up to now is 665.6 secs Computing kpt #: 207 total cpu time spent up to now is 668.6 secs Computing kpt #: 208 total cpu time spent up to now is 671.5 secs Computing kpt #: 209 total cpu time spent up to now is 674.5 secs Computing kpt #: 210 total cpu time spent up to now is 677.6 secs Computing kpt #: 211 total cpu time spent up to now is 680.7 secs Computing kpt #: 212 total cpu time spent up to now is 683.6 secs Computing kpt #: 213 total cpu time spent up to now is 686.7 secs Computing kpt #: 214 total cpu time spent up to now is 689.8 secs Computing kpt #: 215 total cpu time spent up to now is 692.8 secs Computing kpt #: 216 total cpu time spent up to now is 695.7 secs Computing kpt #: 217 total cpu time spent up to now is 698.7 secs Computing kpt #: 218 total cpu time spent up to now is 701.7 secs Computing kpt #: 219 total cpu time spent up to now is 704.7 secs Computing kpt #: 220 total cpu time spent up to now is 707.8 secs Computing kpt #: 221 total cpu time spent up to now is 710.8 secs Computing kpt #: 222 total cpu time spent up to now is 713.9 secs Computing kpt #: 223 total cpu time spent up to now is 716.9 secs Computing kpt #: 224 total cpu time spent up to now is 719.9 secs Computing kpt #: 225 total cpu time spent up to now is 722.9 secs Computing kpt #: 226 total cpu time spent up to now is 726.1 secs Computing kpt #: 227 total cpu time spent up to now is 729.2 secs Computing kpt #: 228 total cpu time spent up to now is 732.4 secs Computing kpt #: 229 total cpu time spent up to now is 735.4 secs Computing kpt #: 230 total cpu time spent up to now is 738.5 secs Computing kpt #: 231 total cpu time spent up to now is 741.6 secs Computing kpt #: 232 total cpu time spent up to now is 744.7 secs Computing kpt #: 233 total cpu time spent up to now is 747.7 secs Computing kpt #: 234 total cpu time spent up to now is 750.6 secs Computing kpt #: 235 total cpu time spent up to now is 753.8 secs Computing kpt #: 236 total cpu time spent up to now is 756.8 secs Computing kpt #: 237 total cpu time spent up to now is 759.7 secs Computing kpt #: 238 total cpu time spent up to now is 762.4 secs Computing kpt #: 239 total cpu time spent up to now is 764.9 secs Computing kpt #: 240 total cpu time spent up to now is 767.4 secs Computing kpt #: 241 total cpu time spent up to now is 770.2 secs Computing kpt #: 242 total cpu time spent up to now is 772.8 secs Computing kpt #: 243 total cpu time spent up to now is 775.7 secs Computing kpt #: 244 total cpu time spent up to now is 778.5 secs Computing kpt #: 245 total cpu time spent up to now is 781.1 secs Computing kpt #: 246 total cpu time spent up to now is 783.7 secs Computing kpt #: 247 total cpu time spent up to now is 786.5 secs Computing kpt #: 248 total cpu time spent up to now is 789.2 secs Computing kpt #: 249 total cpu time spent up to now is 791.9 secs Computing kpt #: 250 total cpu time spent up to now is 794.5 secs Computing kpt #: 251 total cpu time spent up to now is 797.3 secs Computing kpt #: 252 total cpu time spent up to now is 799.9 secs Computing kpt #: 253 total cpu time spent up to now is 802.8 secs Computing kpt #: 254 total cpu time spent up to now is 805.7 secs Computing kpt #: 255 total cpu time spent up to now is 808.6 secs Computing kpt #: 256 total cpu time spent up to now is 811.5 secs Computing kpt #: 257 total cpu time spent up to now is 814.6 secs Computing kpt #: 258 total cpu time spent up to now is 817.7 secs Computing kpt #: 259 total cpu time spent up to now is 820.8 secs Computing kpt #: 260 total cpu time spent up to now is 823.9 secs Computing kpt #: 261 total cpu time spent up to now is 827.0 secs Computing kpt #: 262 total cpu time spent up to now is 830.2 secs Computing kpt #: 263 total cpu time spent up to now is 834.4 secs Computing kpt #: 264 total cpu time spent up to now is 837.9 secs Computing kpt #: 265 total cpu time spent up to now is 840.8 secs Computing kpt #: 266 total cpu time spent up to now is 843.6 secs Computing kpt #: 267 total cpu time spent up to now is 846.5 secs Computing kpt #: 268 total cpu time spent up to now is 849.3 secs Computing kpt #: 269 total cpu time spent up to now is 852.1 secs Computing kpt #: 270 total cpu time spent up to now is 854.8 secs Computing kpt #: 271 total cpu time spent up to now is 857.6 secs Computing kpt #: 272 total cpu time spent up to now is 860.3 secs Computing kpt #: 273 total cpu time spent up to now is 863.2 secs Computing kpt #: 274 total cpu time spent up to now is 865.9 secs Computing kpt #: 275 total cpu time spent up to now is 868.7 secs Computing kpt #: 276 total cpu time spent up to now is 871.6 secs Computing kpt #: 277 total cpu time spent up to now is 874.5 secs Computing kpt #: 278 total cpu time spent up to now is 877.4 secs Computing kpt #: 279 total cpu time spent up to now is 880.5 secs Computing kpt #: 280 total cpu time spent up to now is 884.0 secs Computing kpt #: 281 total cpu time spent up to now is 887.1 secs Computing kpt #: 282 total cpu time spent up to now is 890.2 secs Computing kpt #: 283 total cpu time spent up to now is 893.1 secs Computing kpt #: 284 total cpu time spent up to now is 896.0 secs Computing kpt #: 285 total cpu time spent up to now is 898.9 secs Computing kpt #: 286 total cpu time spent up to now is 901.7 secs Computing kpt #: 287 total cpu time spent up to now is 904.5 secs Computing kpt #: 288 total cpu time spent up to now is 907.4 secs Computing kpt #: 289 total cpu time spent up to now is 910.3 secs Computing kpt #: 290 total cpu time spent up to now is 913.2 secs Computing kpt #: 291 total cpu time spent up to now is 916.3 secs Computing kpt #: 292 total cpu time spent up to now is 919.4 secs Computing kpt #: 293 total cpu time spent up to now is 922.5 secs Computing kpt #: 294 total cpu time spent up to now is 925.7 secs Computing kpt #: 295 total cpu time spent up to now is 929.7 secs Computing kpt #: 296 total cpu time spent up to now is 932.8 secs Computing kpt #: 297 total cpu time spent up to now is 935.9 secs Computing kpt #: 298 total cpu time spent up to now is 938.9 secs Computing kpt #: 299 total cpu time spent up to now is 941.9 secs Computing kpt #: 300 total cpu time spent up to now is 944.8 secs Computing kpt #: 301 total cpu time spent up to now is 947.8 secs Computing kpt #: 302 total cpu time spent up to now is 950.6 secs Computing kpt #: 303 total cpu time spent up to now is 953.6 secs Computing kpt #: 304 total cpu time spent up to now is 955.9 secs Computing kpt #: 305 total cpu time spent up to now is 958.8 secs Computing kpt #: 306 total cpu time spent up to now is 961.8 secs Computing kpt #: 307 total cpu time spent up to now is 964.8 secs Computing kpt #: 308 total cpu time spent up to now is 967.8 secs Computing kpt #: 309 total cpu time spent up to now is 970.8 secs Computing kpt #: 310 total cpu time spent up to now is 974.0 secs Computing kpt #: 311 total cpu time spent up to now is 977.2 secs Computing kpt #: 312 total cpu time spent up to now is 980.3 secs Computing kpt #: 313 total cpu time spent up to now is 983.4 secs Computing kpt #: 314 total cpu time spent up to now is 986.6 secs Computing kpt #: 315 total cpu time spent up to now is 989.8 secs Computing kpt #: 316 total cpu time spent up to now is 993.2 secs Computing kpt #: 317 total cpu time spent up to now is 996.5 secs Computing kpt #: 318 total cpu time spent up to now is 999.9 secs Computing kpt #: 319 total cpu time spent up to now is 1002.9 secs Computing kpt #: 320 total cpu time spent up to now is 1006.0 secs Computing kpt #: 321 total cpu time spent up to now is 1009.2 secs Computing kpt #: 322 total cpu time spent up to now is 1012.3 secs Computing kpt #: 323 total cpu time spent up to now is 1015.3 secs Computing kpt #: 324 total cpu time spent up to now is 1018.3 secs Computing kpt #: 325 total cpu time spent up to now is 1021.8 secs Computing kpt #: 326 total cpu time spent up to now is 1025.4 secs Computing kpt #: 327 total cpu time spent up to now is 1028.8 secs Computing kpt #: 328 total cpu time spent up to now is 1032.1 secs Computing kpt #: 329 total cpu time spent up to now is 1035.4 secs Computing kpt #: 330 total cpu time spent up to now is 1038.7 secs Computing kpt #: 331 total cpu time spent up to now is 1042.0 secs Computing kpt #: 332 total cpu time spent up to now is 1045.2 secs Computing kpt #: 333 total cpu time spent up to now is 1048.6 secs Computing kpt #: 334 total cpu time spent up to now is 1051.9 secs Computing kpt #: 335 total cpu time spent up to now is 1055.1 secs Computing kpt #: 336 total cpu time spent up to now is 1058.3 secs Computing kpt #: 337 total cpu time spent up to now is 1061.5 secs Computing kpt #: 338 total cpu time spent up to now is 1064.6 secs Computing kpt #: 339 total cpu time spent up to now is 1067.5 secs Computing kpt #: 340 total cpu time spent up to now is 1070.5 secs Computing kpt #: 341 total cpu time spent up to now is 1073.1 secs Computing kpt #: 342 total cpu time spent up to now is 1075.7 secs Computing kpt #: 343 total cpu time spent up to now is 1078.5 secs Computing kpt #: 344 total cpu time spent up to now is 1081.2 secs ethr = 1.92E-11, avg # of iterations = 36.0 total cpu time spent up to now is 1081.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4991 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9917 -24.9917 -24.9895 -24.9895 -17.3015 -17.3015 -17.2886 -17.2886 -17.2480 -17.2480 -17.2472 -17.2472 -3.6574 -3.6574 -3.5889 -3.5889 -3.2193 -3.2193 -3.1447 -3.1447 -3.1305 -3.1305 -0.8260 -0.8260 0.5951 0.5951 2.1430 2.1430 7.3406 7.3406 7.5953 7.5953 8.3853 8.3853 8.6803 8.6803 8.9074 8.9074 9.5625 9.5625 10.0072 10.0072 10.1337 10.1337 11.5803 11.5803 12.0169 12.0169 12.0977 12.0977 12.3131 12.3131 12.4287 12.4287 13.3598 13.3598 13.4669 13.4669 k = 0.0000 0.0122-0.0000 ( 4989 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9917 -24.9917 -24.9895 -24.9895 -17.3016 -17.3015 -17.2886 -17.2885 -17.2480 -17.2480 -17.2473 -17.2473 -3.6574 -3.6574 -3.5889 -3.5888 -3.2194 -3.2193 -3.1447 -3.1445 -3.1305 -3.1305 -0.8246 -0.8245 0.5958 0.5965 2.1443 2.1443 7.3371 7.3380 7.5961 7.5968 8.3416 8.3502 8.6982 8.7029 8.9154 8.9192 9.5619 9.5661 9.9854 10.0255 10.1190 10.1482 11.5722 11.5886 12.0204 12.0258 12.0978 12.0988 12.3062 12.3121 12.4255 12.4377 13.3341 13.3404 13.4688 13.4689 k = 0.0000 0.0244-0.0000 ( 4993 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9917 -24.9917 -24.9896 -24.9896 -17.3016 -17.3016 -17.2887 -17.2885 -17.2482 -17.2482 -17.2475 -17.2474 -3.6575 -3.6575 -3.5889 -3.5887 -3.2194 -3.2194 -3.1447 -3.1443 -3.1307 -3.1305 -0.8202 -0.8200 0.5988 0.6002 2.1481 2.1482 7.3275 7.3290 7.5990 7.6004 8.2464 8.2599 8.7323 8.7425 8.9438 8.9476 9.5644 9.5738 9.9614 10.0386 10.1058 10.1614 11.5642 11.5964 12.0350 12.0461 12.0997 12.1013 12.2917 12.3043 12.4282 12.4524 13.2805 13.2908 13.4709 13.4713 k = 0.0000 0.0366-0.0000 ( 4987 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9918 -24.9917 -24.9896 -24.9896 -17.3016 -17.3016 -17.2889 -17.2886 -17.2484 -17.2484 -17.2477 -17.2475 -3.6575 -3.6575 -3.5888 -3.5885 -3.2195 -3.2194 -3.1445 -3.1440 -3.1307 -3.1305 -0.8128 -0.8125 0.6040 0.6061 2.1545 2.1546 7.3119 7.3134 7.6032 7.6057 8.1281 8.1439 8.7615 8.7751 8.9846 8.9866 9.5710 9.5868 9.9364 10.0437 10.0974 10.1728 11.5555 11.6024 12.0577 12.0737 12.1058 12.1061 12.2713 12.2913 12.4370 12.4730 13.2183 13.2312 13.4716 13.4727 k = 0.0000 0.0488-0.0000 ( 4977 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9918 -24.9918 -24.9896 -24.9896 -17.3017 -17.3016 -17.2890 -17.2886 -17.2489 -17.2487 -17.2478 -17.2477 -3.6576 -3.6575 -3.5886 -3.5883 -3.2196 -3.2195 -3.1442 -3.1435 -3.1308 -3.1305 -0.8024 -0.8021 0.6114 0.6141 2.1634 2.1636 7.2903 7.2908 7.6070 7.6112 7.9998 8.0164 8.7845 8.7998 9.0194 9.0311 9.5835 9.6066 9.9114 10.0398 10.0955 10.1820 11.5450 11.6046 12.0830 12.0957 12.1130 12.1249 12.2489 12.2767 12.4530 12.5005 13.1569 13.1713 13.4714 13.4727 k = 0.0000 0.0610-0.0000 ( 4981 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9920 -24.9919 -24.9898 -24.9897 -17.3018 -17.3017 -17.2892 -17.2888 -17.2495 -17.2493 -17.2480 -17.2480 -3.6577 -3.6577 -3.5884 -3.5880 -3.2197 -3.2196 -3.1439 -3.1430 -3.1310 -3.1306 -0.7892 -0.7887 0.6210 0.6244 2.1749 2.1750 7.2605 7.2625 7.6046 7.6123 7.8715 7.8884 8.8045 8.8209 9.0449 9.0666 9.6035 9.6327 9.8873 10.0303 10.0978 10.1892 11.5312 11.6010 12.1014 12.1075 12.1226 12.1449 12.2382 12.2679 12.4784 12.5365 13.1008 13.1160 13.4698 13.4700 k = 0.0000 0.0732-0.0000 ( 4983 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9921 -24.9919 -24.9900 -24.9898 -17.3019 -17.3018 -17.2895 -17.2889 -17.2503 -17.2499 -17.2483 -17.2483 -3.6579 -3.6578 -3.5881 -3.5876 -3.2199 -3.2198 -3.1435 -3.1425 -3.1312 -3.1307 -0.7729 -0.7724 0.6328 0.6369 2.1887 2.1889 7.2214 7.2285 7.5755 7.5900 7.7658 7.7834 8.8234 8.8417 9.0592 9.0880 9.6312 9.6629 9.8644 10.0185 10.1020 10.1946 11.5131 11.5898 12.0973 12.1055 12.1377 12.1480 12.2573 12.2750 12.5160 12.5819 13.0535 13.0681 13.4607 13.4651 k = 0.0000 0.0854-0.0000 ( 4977 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9921 -24.9920 -24.9901 -24.9899 -17.3021 -17.3020 -17.2897 -17.2891 -17.2511 -17.2507 -17.2485 -17.2485 -3.6580 -3.6580 -3.5878 -3.5872 -3.2201 -3.2200 -3.1429 -3.1418 -3.1314 -3.1308 -0.7537 -0.7532 0.6468 0.6516 2.2048 2.2051 7.1713 7.1882 7.4846 7.5065 7.7240 7.7384 8.8422 8.8635 9.0644 9.0954 9.6645 9.6937 9.8429 10.0045 10.1087 10.1987 11.4901 11.5701 12.0677 12.0713 12.1586 12.1649 12.2906 12.2984 12.5670 12.6354 13.0187 13.0306 13.4370 13.4530 k = 0.0000 0.0976-0.0000 ( 4967 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9923 -24.9921 -24.9902 -24.9900 -17.3023 -17.3021 -17.2900 -17.2893 -17.2521 -17.2516 -17.2488 -17.2487 -3.6582 -3.6581 -3.5874 -3.5867 -3.2203 -3.2201 -3.1423 -3.1410 -3.1315 -3.1309 -0.7316 -0.7310 0.6630 0.6685 2.2232 2.2235 7.1064 7.1413 7.3492 7.3861 7.7267 7.7376 8.8608 8.8867 9.0640 9.0917 9.6993 9.7212 9.8224 9.9866 10.1202 10.2024 11.4623 11.5424 12.0210 12.0219 12.1828 12.1918 12.3243 12.3307 12.6276 12.6910 13.0022 13.0070 13.3955 13.4277 k = 0.0000 0.1098-0.0000 ( 4963 PWs) bands (ev): -50.6703 -50.6703 -50.6701 -50.6701 -24.9924 -24.9922 -24.9904 -24.9902 -17.3026 -17.3024 -17.2903 -17.2895 -17.2532 -17.2527 -17.2491 -17.2490 -3.6584 -3.6583 -3.5869 -3.5862 -3.2206 -3.2204 -3.1416 -3.1401 -3.1317 -3.1310 -0.7066 -0.7060 0.6813 0.6876 2.2437 2.2440 7.0206 7.0864 7.1996 7.2661 7.7436 7.7530 8.8785 8.9113 9.0622 9.0810 9.7314 9.7429 9.8026 9.9622 10.1387 10.2071 11.4305 11.5077 11.9635 11.9663 12.2082 12.2222 12.3574 12.3681 12.6878 12.7365 13.0036 13.0145 13.3442 13.3901 k = 0.0000 0.1220-0.0000 ( 4947 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9925 -24.9923 -24.9905 -24.9903 -17.3029 -17.3027 -17.2905 -17.2896 -17.2544 -17.2538 -17.2493 -17.2492 -3.6586 -3.6585 -3.5864 -3.5857 -3.2208 -3.2206 -3.1407 -3.1392 -3.1319 -3.1311 -0.6787 -0.6780 0.7018 0.7088 2.2662 2.2665 6.9090 7.0089 7.0603 7.1602 7.7668 7.7755 8.8935 8.9362 9.0633 9.0675 9.7551 9.7581 9.7844 9.9297 10.1645 10.2146 11.3958 11.4677 11.9019 11.9044 12.2329 12.2518 12.3930 12.4099 12.7335 12.7605 13.0284 13.0632 13.2911 13.3496 k = 0.0000 0.1341-0.0000 ( 4948 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9927 -24.9925 -24.9908 -24.9905 -17.3033 -17.3031 -17.2908 -17.2898 -17.2557 -17.2551 -17.2496 -17.2494 -3.6589 -3.6588 -3.5859 -3.5851 -3.2212 -3.2210 -3.1399 -3.1382 -3.1321 -3.1312 -0.6479 -0.6472 0.7244 0.7322 2.2906 2.2909 6.7751 6.8661 6.9778 7.0680 7.7938 7.8024 8.9043 8.9580 9.0572 9.0711 9.7512 9.7670 9.7831 9.8883 10.1964 10.2266 11.3591 11.4237 11.8379 11.8387 12.2552 12.2779 12.4335 12.4565 12.7579 12.7661 13.0790 13.1391 13.2432 13.3171 k = 0.0000 0.1463-0.0000 ( 4956 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9930 -24.9927 -24.9910 -24.9907 -17.3040 -17.3036 -17.2911 -17.2901 -17.2571 -17.2565 -17.2499 -17.2497 -3.6592 -3.6592 -3.5854 -3.5845 -3.2216 -3.2213 -3.1389 -3.1372 -3.1324 -3.1314 -0.6142 -0.6135 0.7492 0.7577 2.3165 2.3169 6.6277 6.7053 6.9066 6.9826 7.8239 7.8326 8.9101 8.9686 9.0595 9.0875 9.7259 9.7701 9.7905 9.8389 10.2324 10.2444 11.3213 11.3770 11.7712 11.7734 12.2744 12.2993 12.4790 12.5076 12.7630 12.7672 13.1286 13.1749 13.2566 13.3129 k = 0.0000 0.1585-0.0000 ( 4952 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9932 -24.9929 -24.9912 -24.9910 -17.3046 -17.3043 -17.2913 -17.2902 -17.2585 -17.2579 -17.2501 -17.2499 -3.6595 -3.6595 -3.5848 -3.5839 -3.2219 -3.2217 -3.1379 -3.1361 -3.1326 -3.1316 -0.5778 -0.5770 0.7760 0.7854 2.3439 2.3443 6.4732 6.5420 6.8329 6.8989 7.8563 7.8655 8.9117 8.9631 9.0802 9.1122 9.6930 9.7587 9.7919 9.7923 10.2679 10.2707 11.2830 11.3283 11.7035 11.7098 12.2905 12.3166 12.5274 12.5619 12.7579 12.7708 13.1386 13.1410 13.3555 13.3628 k = 0.0000 0.1707-0.0000 ( 4948 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9934 -24.9931 -24.9915 -24.9912 -17.3054 -17.3050 -17.2915 -17.2903 -17.2600 -17.2594 -17.2503 -17.2501 -3.6599 -3.6598 -3.5842 -3.5832 -3.2224 -3.2221 -3.1369 -3.1350 -3.1328 -3.1317 -0.5385 -0.5378 0.8050 0.8151 2.3725 2.3729 6.3153 6.3782 6.7559 6.8148 7.8907 7.9004 8.9109 8.9477 9.1131 9.1439 9.6529 9.7025 9.7795 9.7896 10.2964 10.3099 11.2442 11.2779 11.6371 11.6486 12.3039 12.3310 12.5753 12.6165 12.7553 12.7751 13.1023 13.1271 13.4484 13.4624 k = 0.0000 0.1829-0.0000 ( 4952 PWs) bands (ev): -50.6700 -50.6700 -50.6700 -50.6700 -24.9936 -24.9934 -24.9918 -24.9915 -17.3063 -17.3059 -17.2917 -17.2905 -17.2616 -17.2610 -17.2505 -17.2504 -3.6603 -3.6602 -3.5836 -3.5826 -3.2228 -3.2225 -3.1358 -3.1340 -3.1330 -3.1318 -0.4964 -0.4957 0.8359 0.8469 2.4021 2.4024 6.1560 6.2146 6.6761 6.7293 7.9265 7.9369 8.9089 8.9279 9.1523 9.1808 9.6065 9.6299 9.7759 9.7845 10.3283 10.3488 11.2045 11.2256 11.5736 11.5909 12.3150 12.3432 12.6174 12.6637 12.7629 12.7855 13.0719 13.1090 13.5398 13.5666 k = 0.0000 0.1951-0.0000 ( 4952 PWs) bands (ev): -50.6700 -50.6700 -50.6699 -50.6699 -24.9939 -24.9936 -24.9921 -24.9918 -17.3073 -17.3068 -17.2919 -17.2906 -17.2632 -17.2626 -17.2507 -17.2505 -3.6606 -3.6606 -3.5830 -3.5819 -3.2232 -3.2230 -3.1348 -3.1333 -3.1330 -3.1315 -0.4517 -0.4510 0.8689 0.8807 2.4322 2.4326 5.9965 6.0520 6.5942 6.6428 7.9631 7.9743 8.9050 8.9062 9.1954 9.2217 9.5521 9.5556 9.7727 9.7786 10.3621 10.3865 11.1633 11.1712 11.5140 11.5377 12.3242 12.3538 12.6481 12.6882 12.7954 12.8067 13.0483 13.0958 13.6024 13.6349 k = 0.0000 0.2073-0.0000 ( 4950 PWs) bands (ev): -50.6700 -50.6700 -50.6699 -50.6699 -24.9941 -24.9938 -24.9923 -24.9920 -17.3084 -17.3079 -17.2921 -17.2907 -17.2647 -17.2642 -17.2509 -17.2507 -3.6610 -3.6610 -3.5823 -3.5813 -3.2237 -3.2234 -3.1342 -3.1331 -3.1327 -3.1306 -0.4042 -0.4036 0.9038 0.9166 2.4625 2.4629 5.8376 5.8907 6.5111 6.5557 7.9996 8.0116 8.8787 8.9024 9.2413 9.2646 9.4739 9.5036 9.7694 9.7728 10.3965 10.4222 11.1146 11.1201 11.4594 11.4893 12.3317 12.3631 12.6651 12.6917 12.8387 12.8505 13.0323 13.0919 13.6320 13.6607 k = 0.0000 0.2195-0.0000 ( 4950 PWs) bands (ev): -50.6699 -50.6699 -50.6698 -50.6698 -24.9944 -24.9941 -24.9926 -24.9923 -17.3096 -17.3091 -17.2922 -17.2907 -17.2663 -17.2658 -17.2510 -17.2508 -3.6614 -3.6614 -3.5817 -3.5806 -3.2242 -3.2239 -3.1342 -3.1332 -3.1317 -3.1295 -0.3541 -0.3536 0.9407 0.9544 2.4926 2.4931 5.6800 5.7310 6.4276 6.4686 8.0349 8.0476 8.8484 8.8961 9.2886 9.3026 9.4055 9.4546 9.7662 9.7677 10.4305 10.4551 11.0559 11.0745 11.4105 11.4458 12.3381 12.3712 12.6716 12.6869 12.8753 12.9146 13.0241 13.1010 13.6579 13.6871 k = 0.0000 0.2317-0.0000 ( 4950 PWs) bands (ev): -50.6699 -50.6699 -50.6698 -50.6698 -24.9946 -24.9943 -24.9929 -24.9926 -17.3109 -17.3103 -17.2924 -17.2908 -17.2678 -17.2675 -17.2511 -17.2509 -3.6619 -3.6618 -3.5810 -3.5800 -3.2246 -3.2243 -3.1344 -3.1333 -3.1305 -3.1283 -0.3014 -0.3011 0.9794 0.9941 2.5221 2.5227 5.5241 5.5734 6.3447 6.3823 8.0670 8.0800 8.8139 8.8853 9.2936 9.3334 9.3938 9.4159 9.7632 9.7637 10.4631 10.4842 10.9955 11.0269 11.3671 11.4067 12.3434 12.3784 12.6715 12.6783 12.9098 12.9814 13.0251 13.1260 13.6851 13.7156 k = 0.0000 0.2439-0.0000 ( 4954 PWs) bands (ev): -50.6698 -50.6698 -50.6698 -50.6698 -24.9949 -24.9946 -24.9932 -24.9929 -17.3122 -17.3117 -17.2926 -17.2909 -17.2693 -17.2691 -17.2511 -17.2509 -3.6623 -3.6623 -3.5804 -3.5793 -3.2251 -3.2248 -3.1346 -3.1336 -3.1293 -3.1270 -0.2462 -0.2461 1.0198 1.0356 2.5504 2.5511 5.3704 5.4183 6.2634 6.2978 8.0931 8.1054 8.7770 8.8680 9.2447 9.3492 9.4161 9.4371 9.7607 9.7613 10.4934 10.5084 10.9340 10.9783 11.3290 11.3715 12.3481 12.3846 12.6667 12.6668 12.9404 13.0263 13.0582 13.1667 13.7142 13.7463 k = 0.0000 0.2561-0.0000 ( 4956 PWs) bands (ev): -50.6698 -50.6698 -50.6697 -50.6697 -24.9952 -24.9949 -24.9935 -24.9932 -17.3136 -17.3131 -17.2929 -17.2911 -17.2707 -17.2707 -17.2512 -17.2510 -3.6628 -3.6627 -3.5797 -3.5787 -3.2257 -3.2253 -3.1348 -3.1338 -3.1280 -3.1257 -0.1887 -0.1886 1.0620 1.0789 2.5769 2.5778 5.2193 5.2658 6.1844 6.2158 8.1091 8.1190 8.7424 8.8442 9.2048 9.3314 9.4603 9.4909 9.7590 9.7609 10.5204 10.5261 10.8720 10.9300 11.2955 11.3395 12.3525 12.3901 12.6524 12.6577 12.9691 13.0443 13.1277 13.2199 13.7454 13.7793 k = 0.0000 0.2683-0.0000 ( 4964 PWs) bands (ev): -50.6698 -50.6698 -50.6697 -50.6697 -24.9955 -24.9952 -24.9939 -24.9936 -17.3151 -17.3146 -17.2932 -17.2913 -17.2722 -17.2721 -17.2512 -17.2510 -3.6632 -3.6632 -3.5791 -3.5781 -3.2262 -3.2259 -3.1351 -3.1340 -3.1267 -3.1245 -0.1290 -0.1287 1.1058 1.1239 2.6010 2.6021 5.0713 5.1165 6.1089 6.1374 8.1096 8.1142 8.7172 8.8190 9.1813 9.3156 9.5120 9.5481 9.7584 9.7637 10.5358 10.5433 10.8102 10.8839 11.2660 11.3102 12.3570 12.3952 12.6348 12.6443 12.9995 13.0680 13.2004 13.2816 13.7788 13.8143 k = 0.0000 0.2805-0.0000 ( 4966 PWs) bands (ev): -50.6697 -50.6697 -50.6696 -50.6696 -24.9957 -24.9954 -24.9942 -24.9939 -17.3166 -17.3160 -17.2936 -17.2915 -17.2736 -17.2733 -17.2511 -17.2510 -3.6637 -3.6637 -3.5785 -3.5775 -3.2266 -3.2263 -3.1353 -3.1343 -3.1254 -3.1232 -0.0671 -0.0665 1.1512 1.1705 2.6219 2.6234 4.9268 4.9707 6.0377 6.0635 8.0857 8.0892 8.7083 8.8015 9.1723 9.3067 9.5632 9.6065 9.7598 9.7715 10.5358 10.5611 10.7496 10.8415 11.2399 11.2832 12.3620 12.4004 12.6136 12.6262 13.0338 13.0987 13.2741 13.3488 13.8144 13.8510 k = 0.0000 0.2927-0.0000 ( 4966 PWs) bands (ev): -50.6697 -50.6697 -50.6696 -50.6696 -24.9959 -24.9957 -24.9945 -24.9942 -17.3181 -17.3175 -17.2940 -17.2919 -17.2748 -17.2744 -17.2511 -17.2509 -3.6641 -3.6641 -3.5780 -3.5769 -3.2271 -3.2268 -3.1355 -3.1345 -3.1241 -3.1220 -0.0031 -0.0022 1.1979 1.2187 2.6388 2.6409 4.7862 4.8287 5.9719 5.9949 8.0324 8.0447 8.7190 8.7992 9.1740 9.3044 9.6095 9.6632 9.7656 9.7874 10.5253 10.5721 10.6914 10.8038 11.2168 11.2579 12.3679 12.4063 12.5887 12.6032 13.0729 13.1360 13.3486 13.4197 13.8520 13.8715 k = 0.0000 0.3049-0.0000 ( 4972 PWs) bands (ev): -50.6696 -50.6696 -50.6696 -50.6696 -24.9962 -24.9959 -24.9948 -24.9945 -17.3196 -17.3190 -17.2946 -17.2923 -17.2760 -17.2755 -17.2510 -17.2509 -3.6646 -3.6646 -3.5774 -3.5764 -3.2276 -3.2273 -3.1357 -3.1347 -3.1229 -3.1208 0.0628 0.0641 1.2458 1.2682 2.6510 2.6538 4.6500 4.6910 5.9123 5.9327 7.9577 7.9774 8.7473 8.8146 9.1829 9.3074 9.6462 9.7091 9.7845 9.8157 10.5047 10.5723 10.6397 10.7706 11.1960 11.2340 12.3752 12.4137 12.5600 12.5751 13.1167 13.1791 13.4234 13.4933 13.8429 13.8764 k = 0.0000 0.3171-0.0000 ( 4972 PWs) bands (ev): -50.6696 -50.6696 -50.6695 -50.6695 -24.9964 -24.9962 -24.9951 -24.9948 -17.3210 -17.3205 -17.2951 -17.2929 -17.2769 -17.2763 -17.2509 -17.2508 -3.6650 -3.6650 -3.5768 -3.5759 -3.2281 -3.2278 -3.1358 -3.1349 -3.1216 -3.1196 0.1305 0.1322 1.2949 1.3189 2.6576 2.6615 4.5186 4.5579 5.8600 5.8778 7.8673 7.8919 8.7892 8.8460 9.1968 9.3148 9.6714 9.7320 9.8280 9.8579 10.4760 10.5485 10.6078 10.7405 11.1767 11.2108 12.3840 12.4234 12.5281 12.5419 13.1648 13.2269 13.4983 13.5687 13.8131 13.8502 k = 0.0000 0.3293-0.0000 ( 4972 PWs) bands (ev): -50.6696 -50.6696 -50.6695 -50.6695 -24.9966 -24.9964 -24.9954 -24.9951 -17.3225 -17.3220 -17.2958 -17.2935 -17.2777 -17.2770 -17.2508 -17.2507 -3.6655 -3.6655 -3.5763 -3.5754 -3.2285 -3.2283 -3.1360 -3.1351 -3.1204 -3.1185 0.1997 0.2019 1.3448 1.3707 2.6579 2.6631 4.3925 4.4300 5.8157 5.8309 7.7662 7.7934 8.8408 8.8897 9.2140 9.3254 9.6880 9.7416 9.8858 9.9106 10.4423 10.5026 10.5942 10.7115 11.1580 11.1876 12.3930 12.4361 12.4949 12.5038 13.2162 13.2783 13.5727 13.6452 13.7846 13.8242 k = 0.0000 0.3415-0.0000 ( 4972 PWs) bands (ev): -50.6695 -50.6695 -50.6695 -50.6695 -24.9968 -24.9966 -24.9956 -24.9953 -17.3238 -17.3234 -17.2965 -17.2943 -17.2783 -17.2776 -17.2507 -17.2506 -3.6659 -3.6659 -3.5758 -3.5749 -3.2289 -3.2287 -3.1362 -3.1354 -3.1192 -3.1174 0.2701 0.2729 1.3955 1.4233 2.6512 2.6582 4.2724 4.3077 5.7802 5.7928 7.6581 7.6864 8.8995 8.9427 9.2335 9.3383 9.6999 9.7478 9.9465 9.9690 10.4072 10.4528 10.5818 10.6819 11.1386 11.1637 12.3943 12.4493 12.4645 12.4694 13.2696 13.3317 13.6458 13.7206 13.7605 13.8016 k = 0.0000 0.3537-0.0000 ( 4970 PWs) bands (ev): -50.6695 -50.6695 -50.6694 -50.6694 -24.9970 -24.9968 -24.9959 -24.9956 -17.3252 -17.3247 -17.2973 -17.2951 -17.2788 -17.2781 -17.2506 -17.2505 -3.6663 -3.6662 -3.5753 -3.5744 -3.2294 -3.2291 -3.1363 -3.1355 -3.1181 -3.1164 0.3416 0.3450 1.4465 1.4766 2.6370 2.6462 4.1585 4.1915 5.7541 5.7643 7.5458 7.5740 8.9632 9.0024 9.2545 9.3530 9.7100 9.7536 10.0047 10.0290 10.3742 10.4046 10.5666 10.6512 11.1178 11.1385 12.3704 12.4108 12.4697 12.4771 13.3237 13.3854 13.7151 13.7325 13.7852 13.8036 k = 0.0000 0.3659-0.0000 ( 4968 PWs) bands (ev): -50.6695 -50.6695 -50.6694 -50.6694 -24.9972 -24.9970 -24.9961 -24.9958 -17.3264 -17.3260 -17.2980 -17.2959 -17.2792 -17.2785 -17.2505 -17.2504 -3.6666 -3.6666 -3.5748 -3.5740 -3.2297 -3.2295 -3.1364 -3.1357 -3.1171 -3.1154 0.4137 0.4177 1.4977 1.5303 2.6150 2.6269 4.0515 4.0817 5.7379 5.7457 7.4311 7.4586 9.0306 9.0671 9.2766 9.3686 9.7198 9.7597 10.0549 10.0865 10.3485 10.3604 10.5492 10.6195 11.0948 11.1115 12.3268 12.3590 12.4913 12.5044 13.3768 13.4370 13.7137 13.7572 13.7981 13.8805 k = 0.0000 0.3780-0.0000 ( 4972 PWs) bands (ev): -50.6694 -50.6694 -50.6694 -50.6694 -24.9973 -24.9972 -24.9964 -24.9961 -17.3276 -17.3272 -17.2988 -17.2968 -17.2795 -17.2788 -17.2504 -17.2503 -3.6670 -3.6670 -3.5744 -3.5737 -3.2301 -3.2299 -3.1366 -3.1359 -3.1161 -3.1146 0.4859 0.4906 1.5486 1.5839 2.5852 2.6005 3.9517 3.9790 5.7319 5.7374 7.3155 7.3419 9.1007 9.1354 9.2993 9.3847 9.7302 9.7666 10.0886 10.1350 10.3238 10.3368 10.5319 10.5883 11.0693 11.0824 12.2751 12.3032 12.5236 12.5379 13.4272 13.4834 13.6970 13.7555 13.8554 13.9572 k = 0.0000 0.3902-0.0000 ( 4966 PWs) bands (ev): -50.6694 -50.6694 -50.6693 -50.6693 -24.9974 -24.9973 -24.9965 -24.9963 -17.3287 -17.3283 -17.2995 -17.2977 -17.2796 -17.2790 -17.2503 -17.2502 -3.6673 -3.6673 -3.5740 -3.5733 -3.2304 -3.2302 -3.1366 -3.1360 -3.1151 -3.1138 0.5577 0.5631 1.5989 1.6373 2.5481 2.5672 3.8595 3.8836 5.7362 5.7394 7.2002 7.2253 9.1726 9.2060 9.3227 9.4007 9.7417 9.7743 10.0985 10.1623 10.3016 10.3428 10.5197 10.5614 11.0416 11.0517 12.2191 12.2445 12.5635 12.5777 13.4727 13.5209 13.6818 13.7542 13.9101 14.0322 k = 0.0000 0.4024-0.0000 ( 4956 PWs) bands (ev): -50.6694 -50.6694 -50.6693 -50.6693 -24.9975 -24.9973 -24.9967 -24.9965 -17.3296 -17.3293 -17.3002 -17.2986 -17.2797 -17.2791 -17.2502 -17.2501 -3.6676 -3.6675 -3.5737 -3.5730 -3.2307 -3.2305 -3.1367 -3.1362 -3.1142 -3.1130 0.6283 0.6344 1.6482 1.6898 2.5045 2.5280 3.7752 3.7960 5.7504 5.7515 7.0861 7.1098 9.2455 9.2769 9.3476 9.4162 9.7549 9.7826 10.0871 10.1584 10.2949 10.3548 10.5209 10.5474 11.0122 11.0199 12.1607 12.1837 12.6099 12.6234 13.5097 13.5448 13.6680 13.7577 13.9537 14.1041 k = 0.0000 0.4146-0.0000 ( 4954 PWs) bands (ev): -50.6693 -50.6693 -50.6693 -50.6693 -24.9976 -24.9974 -24.9969 -24.9967 -17.3306 -17.3303 -17.3008 -17.2994 -17.2797 -17.2792 -17.2500 -17.2500 -3.6678 -3.6678 -3.5733 -3.5728 -3.2309 -3.2308 -3.1368 -3.1363 -3.1134 -3.1124 0.6969 0.7035 1.6961 1.7411 2.4555 2.4838 3.6992 3.7167 5.7735 5.7743 6.9742 6.9963 9.3187 9.3393 9.3819 9.4306 9.7702 9.7915 10.0640 10.1345 10.2849 10.3511 10.5424 10.5585 10.9821 10.9880 12.1012 12.1221 12.6621 12.6749 13.5311 13.5508 13.6593 13.7654 13.9834 14.1700 k = 0.0000 0.4268-0.0000 ( 4944 PWs) bands (ev): -50.6693 -50.6693 -50.6693 -50.6693 -24.9976 -24.9975 -24.9970 -24.9968 -17.3313 -17.3310 -17.3013 -17.3001 -17.2798 -17.2793 -17.2499 -17.2499 -3.6680 -3.6680 -3.5730 -3.5725 -3.2311 -3.2310 -3.1368 -3.1364 -3.1127 -3.1118 0.7622 0.7693 1.7421 1.7904 2.4030 2.4360 3.6318 3.6460 5.8045 5.8070 6.8654 6.8859 9.3746 9.3908 9.4432 9.4439 9.7878 9.8005 10.0361 10.1043 10.2600 10.3251 10.5815 10.5936 10.9524 10.9571 12.0424 12.0611 12.7196 12.7317 13.5255 13.5364 13.6645 13.7759 14.0010 14.2035 k = 0.0000 0.4390-0.0000 ( 4948 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9976 -24.9976 -24.9972 -24.9970 -17.3320 -17.3318 -17.3018 -17.3008 -17.2798 -17.2794 -17.2499 -17.2498 -3.6682 -3.6682 -3.5728 -3.5724 -3.2313 -3.2312 -3.1368 -3.1365 -3.1121 -3.1113 0.8230 0.8301 1.7859 1.8370 2.3488 2.3865 3.5733 3.5845 5.8435 5.8476 6.7608 6.7796 9.3969 9.4484 9.4681 9.5162 9.8081 9.8086 10.0078 10.0733 10.2226 10.2847 10.6290 10.6401 10.9245 10.9284 11.9859 12.0022 12.7817 12.7931 13.4925 13.5023 13.6840 13.7880 14.0116 14.1769 k = 0.0000 0.4512-0.0000 ( 4938 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9976 -24.9976 -24.9973 -24.9971 -17.3325 -17.3323 -17.3022 -17.3013 -17.2797 -17.2794 -17.2498 -17.2497 -3.6684 -3.6684 -3.5725 -3.5722 -3.2315 -3.2314 -3.1368 -3.1365 -3.1116 -3.1109 0.8774 0.8843 1.8272 1.8798 2.2958 2.3369 3.5243 3.5327 5.8892 5.8945 6.6620 6.6790 9.4154 9.4601 9.5330 9.5909 9.8142 9.8313 9.9823 10.0439 10.1768 10.2367 10.6774 10.6881 10.8996 10.9033 11.9341 11.9478 12.8476 12.8584 13.4416 13.4524 13.7096 13.8001 14.0193 14.1506 k = 0.0000 0.4634-0.0000 ( 4942 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9977 -24.9977 -24.9973 -24.9972 -17.3330 -17.3328 -17.3025 -17.3019 -17.2797 -17.2795 -17.2497 -17.2497 -3.6685 -3.6685 -3.5724 -3.5721 -3.2316 -3.2315 -3.1369 -3.1367 -3.1112 -3.1107 0.9235 0.9295 1.8657 1.9169 2.2475 2.2895 3.4855 3.4914 5.9390 5.9451 6.5716 6.5863 9.4313 9.4657 9.5967 9.6645 9.8139 9.8565 9.9637 10.0177 10.1262 10.1848 10.7215 10.7316 10.8788 10.8827 11.8895 11.9003 12.9161 12.9265 13.3804 13.3916 13.7365 13.8100 14.0263 14.1267 k = 0.0000 0.4756-0.0000 ( 4954 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9974 -17.3333 -17.3332 -17.3027 -17.3023 -17.2797 -17.2796 -17.2497 -17.2497 -3.6687 -3.6687 -3.5723 -3.5721 -3.2317 -3.2317 -3.1369 -3.1368 -3.1109 -3.1106 0.9591 0.9636 1.9010 1.9449 2.2091 2.2466 3.4573 3.4610 5.9887 5.9946 6.4940 6.5057 9.4446 9.4679 9.6546 9.7350 9.8039 9.8789 9.9565 9.9989 10.0744 10.1316 10.7573 10.7659 10.8633 10.8673 11.8550 11.8625 12.9855 12.9953 13.3147 13.3253 13.7623 13.8150 14.0347 14.1040 k = 0.0000 0.4878-0.0000 ( 4952 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3335 -17.3335 -17.3028 -17.3026 -17.2797 -17.2796 -17.2497 -17.2497 -3.6687 -3.6687 -3.5722 -3.5721 -3.2318 -3.2317 -3.1369 -3.1368 -3.1106 -3.1105 0.9820 0.9844 1.9314 1.9583 2.1879 2.2115 3.4404 3.4423 6.0298 6.0339 6.4386 6.4455 9.4551 9.4669 9.7052 9.7792 9.8023 9.8826 9.9632 9.9972 10.0296 10.0802 10.7815 10.7870 10.8543 10.8574 11.8337 11.8375 13.0508 13.0589 13.2522 13.2608 13.7849 13.8128 14.0465 14.0822 k = 0.0000 0.5000-0.0000 ( 4948 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3335 -17.3335 -17.3027 -17.3027 -17.2796 -17.2796 -17.2496 -17.2496 -3.6687 -3.6687 -3.5721 -3.5721 -3.2318 -3.2318 -3.1369 -3.1369 -3.1105 -3.1105 0.9907 0.9907 1.9527 1.9527 2.1896 2.1896 3.4354 3.4354 6.0483 6.0483 6.4198 6.4198 9.4626 9.4626 9.7474 9.7474 9.8536 9.8536 9.9834 9.9834 10.0362 10.0362 10.7921 10.7921 10.8527 10.8527 11.8276 11.8276 13.0897 13.0897 13.2219 13.2219 13.8024 13.8024 14.0626 14.0626 k = 0.0000 0.5000-0.0000 ( 4948 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3335 -17.3335 -17.3027 -17.3027 -17.2796 -17.2796 -17.2496 -17.2496 -3.6687 -3.6687 -3.5721 -3.5721 -3.2318 -3.2318 -3.1369 -3.1369 -3.1105 -3.1105 0.9907 0.9907 1.9527 1.9527 2.1896 2.1896 3.4354 3.4354 6.0483 6.0483 6.4198 6.4198 9.4626 9.4626 9.7474 9.7474 9.8536 9.8536 9.9834 9.9834 10.0362 10.0362 10.7921 10.7921 10.8527 10.8527 11.8276 11.8276 13.0897 13.0897 13.2219 13.2219 13.8024 13.8024 14.0626 14.0626 k = 0.0122 0.5000-0.0000 ( 4952 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3336 -17.3335 -17.3027 -17.3027 -17.2797 -17.2797 -17.2499 -17.2496 -3.6688 -3.6688 -3.5721 -3.5721 -3.2319 -3.2318 -3.1369 -3.1368 -3.1105 -3.1105 0.9914 0.9928 1.9533 1.9536 2.1902 2.1904 3.4358 3.4378 6.0496 6.0498 6.4204 6.4212 9.4509 9.4669 9.7348 9.7527 9.8428 9.8645 9.9795 9.9811 10.0296 10.0383 10.7642 10.7987 10.8473 10.8571 11.7994 11.8174 13.0903 13.1096 13.2266 13.2460 13.7954 13.8106 14.0561 14.0699 k = 0.0244 0.5000-0.0000 ( 4956 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9979 -24.9978 -24.9976 -24.9975 -17.3336 -17.3334 -17.3027 -17.3026 -17.2800 -17.2799 -17.2502 -17.2497 -3.6689 -3.6689 -3.5721 -3.5720 -3.2320 -3.2319 -3.1369 -3.1368 -3.1105 -3.1104 0.9949 0.9977 1.9556 1.9561 2.1922 2.1926 3.4390 3.4431 6.0537 6.0540 6.4233 6.4248 9.4318 9.4633 9.7158 9.7509 9.8333 9.8724 9.9680 9.9762 10.0189 10.0353 10.7149 10.7860 10.8421 10.8595 11.7365 11.7704 13.1111 13.1484 13.2587 13.2952 13.7902 13.8195 14.0508 14.0779 k = 0.0366 0.5000-0.0000 ( 4956 PWs) bands (ev): -50.6693 -50.6692 -50.6692 -50.6692 -24.9980 -24.9978 -24.9976 -24.9976 -17.3335 -17.3333 -17.3026 -17.3025 -17.2804 -17.2803 -17.2507 -17.2499 -3.6691 -3.6691 -3.5720 -3.5719 -3.2323 -3.2321 -3.1370 -3.1367 -3.1105 -3.1103 1.0012 1.0054 1.9594 1.9602 2.1957 2.1963 3.4451 3.4512 6.0606 6.0611 6.4283 6.4304 9.4050 9.4509 9.6925 9.7424 9.8247 9.8740 9.9490 9.9718 10.0043 10.0253 10.6470 10.7565 10.8372 10.8601 11.6457 11.6925 13.1496 13.2029 13.3120 13.3624 13.7872 13.8286 14.0467 14.0863 k = 0.0488 0.5000-0.0000 ( 4952 PWs) bands (ev): -50.6692 -50.6692 -50.6692 -50.6692 -24.9981 -24.9978 -24.9977 -24.9976 -17.3335 -17.3331 -17.3024 -17.3023 -17.2809 -17.2807 -17.2512 -17.2502 -3.6694 -3.6694 -3.5720 -3.5718 -3.2326 -3.2323 -3.1370 -3.1366 -3.1104 -3.1101 1.0103 1.0158 1.9647 1.9658 2.2006 2.2014 3.4541 3.4621 6.0703 6.0709 6.4354 6.4381 9.3700 9.4288 9.6669 9.7270 9.8155 9.8678 9.9240 9.9693 9.9870 10.0066 10.5643 10.7145 10.8321 10.8586 11.5341 11.5914 13.2016 13.2688 13.3791 13.4403 13.7872 13.8376 14.0439 14.0948 k = 0.0610 0.5000-0.0000 ( 4944 PWs) bands (ev): -50.6692 -50.6692 -50.6692 -50.6692 -24.9982 -24.9978 -24.9977 -24.9976 -17.3334 -17.3330 -17.3023 -17.3022 -17.2814 -17.2813 -17.2518 -17.2506 -3.6697 -3.6697 -3.5719 -3.5717 -3.2329 -3.2325 -3.1370 -3.1365 -3.1103 -3.1100 1.0221 1.0290 1.9716 1.9730 2.2068 2.2078 3.4658 3.4759 6.0827 6.0833 6.4445 6.4478 9.3263 9.3965 9.6391 9.7042 9.8037 9.8548 9.8956 9.9666 9.9687 9.9781 10.4717 10.6652 10.8264 10.8536 11.4078 11.4746 13.2622 13.3410 13.4527 13.5223 13.7914 13.8465 14.0427 14.1032 k = 0.0732 0.5000-0.0000 ( 4944 PWs) bands (ev): -50.6692 -50.6692 -50.6691 -50.6691 -24.9983 -24.9979 -24.9978 -24.9977 -17.3333 -17.3328 -17.3021 -17.3019 -17.2822 -17.2821 -17.2527 -17.2511 -3.6702 -3.6701 -3.5718 -3.5715 -3.2333 -3.2329 -3.1371 -3.1365 -3.1101 -3.1098 1.0367 1.0449 1.9800 1.9817 2.2144 2.2157 3.4805 3.4925 6.0978 6.0984 6.4557 6.4593 9.2736 9.3545 9.6067 9.6732 9.7863 9.8366 9.8675 9.9406 9.9507 9.9606 10.3751 10.6136 10.8192 10.8432 11.2719 11.3489 13.3259 13.4141 13.5268 13.6034 13.8015 13.8563 14.0431 14.1113 k = 0.0854 0.5000-0.0000 ( 4948 PWs) bands (ev): -50.6692 -50.6692 -50.6691 -50.6691 -24.9985 -24.9980 -24.9980 -24.9979 -17.3331 -17.3326 -17.3018 -17.3017 -17.2831 -17.2830 -17.2536 -17.2518 -3.6707 -3.6706 -3.5717 -3.5714 -3.2338 -3.2333 -3.1372 -3.1365 -3.1100 -3.1095 1.0540 1.0635 1.9898 1.9918 2.2233 2.2249 3.4980 3.5120 6.1155 6.1160 6.4687 6.4726 9.2121 9.3038 9.5652 9.6331 9.7602 9.8131 9.8424 9.8988 9.9333 9.9484 10.2816 10.5631 10.8091 10.8234 11.1312 11.2220 13.3869 13.4820 13.5965 13.6799 13.8202 13.8692 14.0456 14.1191 k = 0.0976 0.5000-0.0000 ( 4952 PWs) bands (ev): -50.6692 -50.6692 -50.6691 -50.6691 -24.9986 -24.9982 -24.9981 -24.9980 -17.3330 -17.3324 -17.3016 -17.3014 -17.2842 -17.2840 -17.2546 -17.2526 -3.6713 -3.6712 -3.5715 -3.5712 -3.2344 -3.2338 -3.1372 -3.1365 -3.1098 -3.1093 1.0740 1.0847 2.0011 2.0034 2.2335 2.2353 3.5183 3.5343 6.1358 6.1361 6.4836 6.4875 9.1419 9.2459 9.5094 9.5837 9.7237 9.7813 9.8174 9.8633 9.9121 9.9320 10.2003 10.5154 10.7857 10.7906 10.9932 11.1048 13.4398 13.5383 13.6583 13.7487 13.8497 13.8886 14.0510 14.1269 k = 0.1098 0.5000-0.0000 ( 4938 PWs) bands (ev): -50.6691 -50.6691 -50.6691 -50.6691 -24.9987 -24.9983 -24.9982 -24.9981 -17.3328 -17.3321 -17.3013 -17.3011 -17.2852 -17.2850 -17.2557 -17.2535 -3.6719 -3.6718 -3.5713 -3.5710 -3.2349 -3.2342 -3.1372 -3.1364 -3.1096 -3.1090 1.0967 1.1086 2.0139 2.0164 2.2450 2.2471 3.5415 3.5594 6.1586 6.1586 6.5002 6.5040 9.0636 9.1817 9.4366 9.5255 9.6751 9.7328 9.7914 9.8415 9.8836 9.9180 10.1380 10.4708 10.7166 10.7408 10.8832 11.0131 13.4802 13.5775 13.7115 13.8073 13.8898 13.9181 14.0602 14.1355 k = 0.1220 0.5000-0.0000 ( 4932 PWs) bands (ev): -50.6691 -50.6691 -50.6690 -50.6690 -24.9989 -24.9984 -24.9983 -24.9982 -17.3326 -17.3318 -17.3009 -17.3007 -17.2864 -17.2862 -17.2568 -17.2544 -3.6725 -3.6725 -3.5712 -3.5708 -3.2355 -3.2348 -3.1372 -3.1363 -3.1093 -3.1087 1.1219 1.1350 2.0280 2.0307 2.2576 2.2601 3.5676 3.5874 6.1833 6.1837 6.5184 6.5217 8.9776 9.1116 9.3478 9.4591 9.6153 9.6609 9.7712 9.8277 9.8568 9.9064 10.0937 10.4285 10.6104 10.6291 10.8338 10.9542 13.5070 13.5982 13.7571 13.8537 13.9364 13.9584 14.0748 14.1462 k = 0.1341 0.5000-0.0000 ( 4946 PWs) bands (ev): -50.6691 -50.6691 -50.6690 -50.6690 -24.9992 -24.9987 -24.9985 -24.9985 -17.3324 -17.3316 -17.3006 -17.3004 -17.2878 -17.2876 -17.2582 -17.2556 -3.6734 -3.6733 -3.5710 -3.5706 -3.2362 -3.2355 -3.1373 -3.1363 -3.1091 -3.1084 1.1497 1.1638 2.0433 2.0464 2.2714 2.2742 3.5965 3.6182 6.2100 6.2110 6.5380 6.5406 8.8843 9.0354 9.2471 9.3851 9.5483 9.5705 9.7579 9.8165 9.8366 9.8948 10.0596 10.3870 10.4802 10.4906 10.8125 10.9172 13.5219 13.6034 13.7950 13.8867 13.9852 14.0064 14.0959 14.1604 k = 0.1463 0.5000-0.0000 ( 4950 PWs) bands (ev): -50.6690 -50.6690 -50.6690 -50.6690 -24.9994 -24.9989 -24.9987 -24.9987 -17.3322 -17.3313 -17.3003 -17.3001 -17.2892 -17.2890 -17.2596 -17.2568 -3.6742 -3.6742 -3.5708 -3.5703 -3.2370 -3.2361 -3.1373 -3.1362 -3.1088 -3.1081 1.1800 1.1951 2.0600 2.0632 2.2863 2.2895 3.6283 3.6518 6.2387 6.2405 6.5588 6.5604 8.7842 8.9515 9.1405 9.3041 9.4715 9.4770 9.7492 9.8055 9.8202 9.8809 10.0284 10.3278 10.3520 10.3570 10.7973 10.8901 13.5282 13.5978 13.8242 13.9065 14.0339 14.0580 14.1231 14.1788 k = 0.1585 0.5000-0.0000 ( 4954 PWs) bands (ev): -50.6690 -50.6690 -50.6689 -50.6689 -24.9997 -24.9991 -24.9989 -24.9989 -17.3320 -17.3310 -17.2999 -17.2997 -17.2907 -17.2904 -17.2610 -17.2581 -3.6752 -3.6751 -3.5706 -3.5701 -3.2377 -3.2368 -3.1373 -3.1362 -3.1085 -3.1077 1.2127 1.2288 2.0778 2.0813 2.3021 2.3058 3.6629 3.6883 6.2692 6.2719 6.5806 6.5810 8.6778 8.8571 9.0347 9.2165 9.3710 9.4027 9.7431 9.7931 9.8023 9.8617 9.9946 10.1890 10.2268 10.3102 10.7832 10.8669 13.5289 13.5856 13.8448 13.9153 14.0820 14.1099 14.1543 14.2005 k = 0.1707 0.5000-0.0000 ( 4958 PWs) bands (ev): -50.6690 -50.6690 -50.6689 -50.6689 -24.9999 -24.9994 -24.9992 -24.9991 -17.3317 -17.3307 -17.2996 -17.2993 -17.2923 -17.2919 -17.2625 -17.2594 -3.6761 -3.6761 -3.5704 -3.5699 -3.2385 -3.2376 -3.1373 -3.1361 -3.1081 -3.1073 1.2478 1.2647 2.0967 2.1004 2.3189 2.3230 3.7004 3.7276 6.3011 6.3051 6.6019 6.6032 8.5657 8.7494 8.9357 9.1235 9.2726 9.3256 9.7383 9.7677 9.7767 9.8368 9.9578 10.0474 10.1294 10.2687 10.7691 10.8451 13.5265 13.5698 13.8583 13.9160 14.1295 14.1601 14.1869 14.2241 k = 0.1829 0.5000-0.0000 ( 4962 PWs) bands (ev): -50.6689 -50.6689 -50.6689 -50.6689 -25.0002 -24.9997 -24.9994 -24.9994 -17.3315 -17.3304 -17.2994 -17.2991 -17.2938 -17.2934 -17.2640 -17.2608 -3.6772 -3.6771 -3.5701 -3.5696 -3.2393 -3.2384 -3.1372 -3.1360 -3.1077 -3.1069 1.2852 1.3029 2.1167 2.1206 2.3365 2.3411 3.7408 3.7697 6.3343 6.3398 6.6231 6.6263 8.4484 8.6291 8.8454 9.0272 9.1767 9.2456 9.6902 9.7326 9.7495 9.8171 9.9196 9.9268 10.0658 10.2267 10.7545 10.8235 13.5225 13.5523 13.8668 13.9118 14.1761 14.2073 14.2188 14.2485 k = 0.1951 0.5000-0.0000 ( 4970 PWs) bands (ev): -50.6689 -50.6689 -50.6688 -50.6688 -25.0004 -24.9999 -24.9997 -24.9996 -17.3313 -17.3302 -17.2993 -17.2990 -17.2952 -17.2948 -17.2656 -17.2622 -3.6783 -3.6782 -3.5699 -3.5693 -3.2402 -3.2392 -3.1372 -3.1359 -3.1074 -3.1065 1.3248 1.3432 2.1376 2.1417 2.3549 2.3600 3.7840 3.8147 6.3685 6.3758 6.6441 6.6497 8.3270 8.4997 8.7623 8.9298 9.0824 9.1617 9.5768 9.6785 9.7328 9.8037 9.8333 9.9052 10.0248 10.1839 10.7392 10.8016 13.5183 13.5347 13.8725 13.9047 14.2211 14.2492 14.2498 14.2739 k = 0.2073 0.5000-0.0000 ( 4958 PWs) bands (ev): -50.6688 -50.6688 -50.6688 -50.6688 -25.0006 -25.0001 -24.9999 -24.9998 -17.3310 -17.3298 -17.2996 -17.2993 -17.2960 -17.2957 -17.2671 -17.2637 -3.6794 -3.6793 -3.5696 -3.5690 -3.2409 -3.2399 -3.1371 -3.1358 -3.1069 -3.1060 1.3665 1.3854 2.1594 2.1636 2.3739 2.3796 3.8301 3.8625 6.4034 6.4128 6.6646 6.6730 8.2022 8.3650 8.6843 8.8333 8.9878 9.0728 9.4495 9.5707 9.7283 9.7914 9.7946 9.8888 9.9947 10.1403 10.7233 10.7794 13.5148 13.5180 13.8767 13.8966 14.2628 14.2788 14.2832 14.3042 k = 0.2195 0.5000-0.0000 ( 4966 PWs) bands (ev): -50.6688 -50.6688 -50.6687 -50.6687 -25.0009 -25.0004 -25.0002 -25.0001 -17.3308 -17.3296 -17.3005 -17.3005 -17.2962 -17.2961 -17.2687 -17.2652 -3.6805 -3.6805 -3.5693 -3.5687 -3.2418 -3.2407 -3.1370 -3.1357 -3.1065 -3.1056 1.4102 1.4296 2.1819 2.1863 2.3934 2.3997 3.8791 3.9131 6.4385 6.4505 6.6844 6.6959 8.0751 8.2277 8.6101 8.7389 8.8909 8.9772 9.3209 9.4545 9.7235 9.7725 9.7776 9.8746 9.9703 10.0962 10.7068 10.7566 13.5031 13.5129 13.8807 13.8885 14.2964 14.3074 14.3123 14.3392 k = 0.2317 0.5000-0.0000 ( 4974 PWs) bands (ev): -50.6687 -50.6687 -50.6687 -50.6687 -25.0012 -25.0007 -25.0005 -25.0003 -17.3306 -17.3293 -17.3020 -17.3020 -17.2960 -17.2960 -17.2703 -17.2667 -3.6818 -3.6817 -3.5691 -3.5684 -3.2426 -3.2416 -3.1369 -3.1356 -3.1061 -3.1051 1.4558 1.4756 2.2051 2.2096 2.4133 2.4202 3.9309 3.9665 6.4735 6.4885 6.7031 6.7179 7.9467 8.0895 8.5389 8.6471 8.7900 8.8739 9.1980 9.3454 9.7178 9.7544 9.7606 9.8617 9.9497 10.0521 10.6898 10.7335 13.4906 13.5132 13.8813 13.8852 14.3221 14.3280 14.3494 14.3734 k = 0.2439 0.5000-0.0000 ( 4976 PWs) bands (ev): -50.6687 -50.6687 -50.6687 -50.6687 -25.0015 -25.0010 -25.0007 -25.0006 -17.3303 -17.3291 -17.3037 -17.3036 -17.2957 -17.2957 -17.2718 -17.2683 -3.6830 -3.6829 -3.5688 -3.5682 -3.2434 -3.2423 -3.1368 -3.1354 -3.1056 -3.1047 1.5031 1.5232 2.2288 2.2334 2.4335 2.4411 3.9855 4.0227 6.5079 6.5262 6.7204 6.7388 7.8178 7.9517 8.4700 8.5575 8.6841 8.7629 9.0852 9.2482 9.7102 9.7367 9.7393 9.8499 9.9320 10.0088 10.6724 10.7102 13.4812 13.5162 13.8757 13.8907 14.3446 14.3471 14.3851 14.4051 k = 0.2561 0.5000-0.0000 ( 4976 PWs) bands (ev): -50.6687 -50.6687 -50.6686 -50.6686 -25.0017 -25.0012 -25.0010 -25.0008 -17.3301 -17.3288 -17.3055 -17.3054 -17.2953 -17.2952 -17.2734 -17.2698 -3.6842 -3.6841 -3.5685 -3.5679 -3.2442 -3.2431 -3.1366 -3.1353 -3.1051 -3.1042 1.5521 1.5723 2.2530 2.2577 2.4538 2.4620 4.0430 4.0817 6.5412 6.5633 6.7360 6.7580 7.6894 7.8153 8.4017 8.4677 8.5752 8.6471 8.9852 9.1637 9.6988 9.7133 9.7196 9.8393 9.9163 9.9673 10.6546 10.6867 13.4752 13.5224 13.8720 13.8977 14.3650 14.3654 14.4184 14.4340 k = 0.2683 0.5000-0.0000 ( 4968 PWs) bands (ev): -50.6686 -50.6686 -50.6686 -50.6686 -25.0019 -25.0015 -25.0012 -25.0010 -17.3299 -17.3286 -17.3072 -17.3071 -17.2948 -17.2947 -17.2749 -17.2713 -3.6854 -3.6853 -3.5682 -3.5676 -3.2449 -3.2439 -3.1364 -3.1351 -3.1046 -3.1037 1.6026 1.6228 2.2774 2.2822 2.4740 2.4830 4.1033 4.1435 6.5727 6.5990 6.7495 6.7753 7.5623 7.6808 8.3300 8.3704 8.4718 8.5328 8.8985 9.0912 9.6794 9.6828 9.7056 9.8297 9.9022 9.9289 10.6366 10.6632 13.4732 13.5321 13.8705 13.9063 14.3823 14.3851 14.4489 14.4603 k = 0.2805 0.5000-0.0000 ( 4970 PWs) bands (ev): -50.6686 -50.6686 -50.6685 -50.6685 -25.0022 -25.0017 -25.0015 -25.0013 -17.3297 -17.3284 -17.3090 -17.3089 -17.2944 -17.2943 -17.2763 -17.2728 -3.6866 -3.6865 -3.5680 -3.5673 -3.2457 -3.2446 -3.1362 -3.1350 -3.1042 -3.1032 1.6545 1.6745 2.3020 2.3069 2.4939 2.5037 4.1664 4.2081 6.6019 6.6325 6.7608 6.7901 7.4373 7.5490 8.2460 8.2567 8.3850 8.4317 8.8243 9.0293 9.6483 9.6511 9.6942 9.8207 9.8890 9.8949 10.6184 10.6399 13.4753 13.5456 13.8714 13.9168 14.3990 14.4040 14.4766 14.4840 k = 0.2927 0.5000-0.0000 ( 4982 PWs) bands (ev): -50.6685 -50.6685 -50.6685 -50.6685 -25.0024 -25.0020 -25.0018 -25.0016 -17.3295 -17.3283 -17.3108 -17.3107 -17.2939 -17.2939 -17.2778 -17.2743 -3.6879 -3.6878 -3.5677 -3.5671 -3.2464 -3.2454 -3.1361 -3.1348 -3.1037 -3.1028 1.7075 1.7272 2.3267 2.3315 2.5135 2.5240 4.2324 4.2754 6.6281 6.6631 6.7696 6.8022 7.3154 7.4206 8.1289 8.1408 8.3153 8.3552 8.7614 8.9764 9.6105 9.6153 9.6834 9.8122 9.8661 9.8764 10.6002 10.6169 13.4817 13.5630 13.8748 13.9291 14.4153 14.4224 14.5016 14.5056 k = 0.3049 0.5000-0.0000 ( 4998 PWs) bands (ev): -50.6685 -50.6685 -50.6685 -50.6685 -25.0028 -25.0024 -25.0021 -25.0019 -17.3294 -17.3282 -17.3126 -17.3125 -17.2935 -17.2935 -17.2792 -17.2758 -3.6891 -3.6891 -3.5675 -3.5669 -3.2472 -3.2462 -3.1359 -3.1347 -3.1033 -3.1024 1.7615 1.7807 2.3512 2.3560 2.5324 2.5436 4.3011 4.3454 6.6506 6.6895 6.7758 6.8112 7.1975 7.2960 7.9939 8.0175 8.2584 8.3023 8.7085 8.9314 9.5697 9.5729 9.6724 9.8038 9.8425 9.8642 10.5821 10.5943 13.4928 13.5845 13.8808 13.9431 14.4315 14.4405 14.5239 14.5251 k = 0.3171 0.5000-0.0000 ( 4990 PWs) bands (ev): -50.6684 -50.6684 -50.6684 -50.6684 -25.0029 -25.0026 -25.0023 -25.0021 -17.3292 -17.3280 -17.3142 -17.3141 -17.2930 -17.2930 -17.2804 -17.2771 -3.6903 -3.6902 -3.5672 -3.5666 -3.2478 -3.2468 -3.1357 -3.1345 -3.1028 -3.1019 1.8162 1.8348 2.3754 2.3802 2.5504 2.5624 4.3725 4.4182 6.6685 6.7100 6.7795 6.8168 7.0851 7.1762 7.8558 7.8848 8.2124 8.2661 8.6647 8.8933 9.5249 9.5264 9.6614 9.7953 9.8233 9.8521 10.5642 10.5724 13.5085 13.6101 13.8891 13.9587 14.4477 14.4588 14.5429 14.5439 k = 0.3293 0.5000-0.0000 ( 4994 PWs) bands (ev): -50.6684 -50.6684 -50.6684 -50.6684 -25.0032 -25.0028 -25.0026 -25.0024 -17.3291 -17.3280 -17.3159 -17.3158 -17.2926 -17.2926 -17.2816 -17.2785 -3.6915 -3.6914 -3.5670 -3.5664 -3.2484 -3.2475 -3.1355 -3.1344 -3.1023 -3.1014 1.8715 1.8893 2.3992 2.4039 2.5674 2.5801 4.4466 4.4935 6.6809 6.7215 6.7806 6.8189 6.9814 7.0622 7.7169 7.7482 8.1767 8.2423 8.6294 8.8612 9.4724 9.4808 9.6504 9.7867 9.8077 9.8400 10.5465 10.5512 13.5288 13.6398 13.8998 13.9755 14.4641 14.4775 14.5591 14.5617 k = 0.3415 0.5000-0.0000 ( 4992 PWs) bands (ev): -50.6684 -50.6684 -50.6683 -50.6683 -25.0033 -25.0030 -25.0028 -25.0026 -17.3290 -17.3279 -17.3174 -17.3173 -17.2922 -17.2922 -17.2827 -17.2797 -3.6925 -3.6925 -3.5667 -3.5661 -3.2490 -3.2481 -3.1353 -3.1342 -3.1019 -3.1010 1.9270 1.9438 2.4224 2.4270 2.5830 2.5964 4.5234 4.5715 6.6860 6.7161 6.7793 6.8171 6.8945 6.9562 7.5785 7.6103 8.1515 8.2291 8.6018 8.8345 9.4164 9.4332 9.6398 9.7779 9.7947 9.8280 10.5292 10.5308 13.5538 13.6734 13.9126 13.9931 14.4808 14.4969 14.5740 14.5775 k = 0.3537 0.5000-0.0000 ( 4992 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0035 -25.0032 -25.0030 -25.0028 -17.3289 -17.3279 -17.3189 -17.3188 -17.2918 -17.2917 -17.2837 -17.2809 -3.6936 -3.6935 -3.5665 -3.5659 -3.2495 -3.2487 -3.1351 -3.1341 -3.1014 -3.1006 1.9826 1.9982 2.4448 2.4493 2.5971 2.6111 4.6029 4.6521 6.6780 6.6791 6.7758 6.8108 6.8409 6.8632 7.4418 7.4727 8.1369 8.2257 8.5814 8.8124 9.3578 9.3836 9.6299 9.7689 9.7836 9.8160 10.5114 10.5125 13.5834 13.7107 13.9272 14.0112 14.4980 14.5173 14.5876 14.5917 k = 0.3659 0.5000-0.0000 ( 4996 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0037 -25.0034 -25.0033 -25.0031 -17.3288 -17.3279 -17.3203 -17.3202 -17.2914 -17.2913 -17.2847 -17.2821 -3.6946 -3.6946 -3.5662 -3.5657 -3.2500 -3.2492 -3.1349 -3.1340 -3.1010 -3.1002 2.0378 2.0521 2.4663 2.4705 2.6093 2.6239 4.6848 4.7351 6.6085 6.6486 6.7699 6.7960 6.8001 6.8198 7.3077 7.3363 8.1327 8.2313 8.5676 8.7941 9.2972 9.3324 9.6207 9.7596 9.7739 9.8042 10.4932 10.4963 13.6172 13.7514 13.9433 14.0291 14.5159 14.5389 14.6003 14.6044 k = 0.3780 0.5000-0.0000 ( 4992 PWs) bands (ev): -50.6683 -50.6683 -50.6682 -50.6682 -25.0039 -25.0036 -25.0034 -25.0033 -17.3288 -17.3280 -17.3215 -17.3215 -17.2911 -17.2910 -17.2855 -17.2831 -3.6956 -3.6955 -3.5660 -3.5655 -3.2505 -3.2497 -3.1347 -3.1338 -3.1006 -3.0999 2.0924 2.1053 2.4866 2.4907 2.6195 2.6344 4.7691 4.8204 6.5285 6.5877 6.7578 6.7663 6.7862 6.8089 7.1778 7.2019 8.1385 8.2453 8.5599 8.7790 9.2351 9.2797 9.6128 9.7499 9.7654 9.7926 10.4762 10.4809 13.6552 13.7952 13.9606 14.0464 14.5347 14.5621 14.6120 14.6158 k = 0.3902 0.5000-0.0000 ( 4976 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0039 -25.0037 -25.0035 -25.0034 -17.3287 -17.3280 -17.3227 -17.3226 -17.2908 -17.2906 -17.2861 -17.2840 -3.6964 -3.6964 -3.5658 -3.5653 -3.2508 -3.2502 -3.1344 -3.1336 -3.1002 -3.0995 2.1461 2.1573 2.5057 2.5095 2.6273 2.6425 4.8558 4.9080 6.4491 6.5126 6.7426 6.7559 6.7666 6.7992 7.0549 7.0707 8.1537 8.2669 8.5575 8.7661 9.1719 9.2256 9.6063 9.7398 9.7578 9.7816 10.4606 10.4664 13.6969 13.8413 13.9787 14.0624 14.5543 14.5867 14.6230 14.6262 k = 0.4024 0.5000-0.0000 ( 4976 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0040 -25.0038 -25.0037 -25.0035 -17.3287 -17.3282 -17.3238 -17.3236 -17.2906 -17.2903 -17.2866 -17.2848 -3.6972 -3.6972 -3.5656 -3.5652 -3.2512 -3.2506 -3.1342 -3.1335 -3.0998 -3.0992 2.1984 2.2078 2.5233 2.5269 2.6325 2.6478 4.9445 4.9975 6.3741 6.4367 6.7306 6.7351 6.7450 6.7886 6.9445 6.9457 8.1775 8.2951 8.5597 8.7549 9.1080 9.1703 9.6014 9.7291 9.7512 9.7713 10.4464 10.4528 13.7418 13.8889 13.9971 14.0767 14.5749 14.6127 14.6334 14.6359 k = 0.4146 0.5000-0.0000 ( 4972 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0041 -25.0039 -25.0038 -25.0037 -17.3287 -17.3283 -17.3247 -17.3245 -17.2904 -17.2900 -17.2871 -17.2856 -3.6979 -3.6979 -3.5654 -3.5650 -3.2515 -3.2509 -3.1340 -3.1334 -3.0995 -3.0989 2.2488 2.2563 2.5393 2.5426 2.6349 2.6501 5.0350 5.0887 6.3051 6.3650 6.6797 6.7130 6.7316 6.7768 6.8316 6.8634 8.2087 8.3292 8.5659 8.7446 9.0437 9.1140 9.5984 9.7178 9.7453 9.7619 10.4337 10.4404 13.7894 13.9370 14.0155 14.0889 14.5963 14.6390 14.6436 14.6460 k = 0.4268 0.5000-0.0000 ( 4980 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0043 -25.0041 -25.0040 -25.0039 -17.3288 -17.3285 -17.3255 -17.3253 -17.2903 -17.2899 -17.2874 -17.2863 -3.6986 -3.6985 -3.5653 -3.5650 -3.2518 -3.2513 -3.1339 -3.1334 -3.0992 -3.0987 2.2971 2.3026 2.5535 2.5565 2.6344 2.6492 5.1269 5.1810 6.2426 6.2993 6.5956 6.6521 6.7201 6.7641 6.7654 6.8148 8.2464 8.3680 8.5752 8.7345 8.9796 9.0570 9.5974 9.7058 9.7403 9.7536 10.4227 10.4292 13.8388 13.9841 14.0333 14.0985 14.6180 14.6537 14.6538 14.6679 k = 0.4390 0.5000-0.0000 ( 4984 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0044 -25.0042 -25.0041 -25.0040 -17.3289 -17.3288 -17.3262 -17.3259 -17.2902 -17.2897 -17.2877 -17.2868 -3.6991 -3.6991 -3.5652 -3.5649 -3.2520 -3.2516 -3.1338 -3.1333 -3.0989 -3.0985 2.3424 2.3460 2.5659 2.5685 2.6309 2.6450 5.2196 5.2736 6.1866 6.2403 6.4980 6.5495 6.7122 6.7448 6.7511 6.7867 8.2894 8.4104 8.5870 8.7243 8.9161 8.9996 9.5984 9.6934 9.7360 9.7465 10.4134 10.4193 13.8891 14.0281 14.0504 14.1055 14.6392 14.6640 14.6649 14.6941 k = 0.4512 0.5000-0.0000 ( 4976 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0044 -25.0043 -25.0042 -25.0041 -17.3290 -17.3290 -17.3267 -17.3263 -17.2902 -17.2896 -17.2878 -17.2872 -3.6996 -3.6995 -3.5650 -3.5648 -3.2522 -3.2518 -3.1336 -3.1333 -3.0987 -3.0983 2.3843 2.3859 2.5761 2.5785 2.6245 2.6377 5.3118 5.3648 6.1362 6.1874 6.4018 6.4438 6.7063 6.7356 6.7385 6.7680 8.3367 8.4551 8.6006 8.7134 8.8543 8.9421 9.6015 9.6806 9.7327 9.7407 10.4059 10.4109 13.9388 14.0663 14.0664 14.1096 14.6582 14.6756 14.6781 14.7180 k = 0.4634 0.5000-0.0000 ( 4984 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0044 -25.0044 -25.0043 -25.0042 -17.3292 -17.3292 -17.3270 -17.3267 -17.2902 -17.2897 -17.2878 -17.2875 -3.7000 -3.6999 -3.5649 -3.5648 -3.2523 -3.2521 -3.1335 -3.1333 -3.0985 -3.0982 2.4216 2.4217 2.5843 2.5863 2.6157 2.6274 5.4015 5.4517 6.0899 6.1390 6.3169 6.3476 6.7023 6.7270 6.7305 6.7542 8.3870 8.4995 8.6154 8.7016 8.7962 8.8852 9.6066 9.6678 9.7302 9.7359 10.4001 10.4041 13.9862 14.0809 14.0961 14.1107 14.6739 14.6891 14.6938 14.7369 k = 0.4756 0.5000-0.0000 ( 4984 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0044 -25.0044 -25.0043 -17.3294 -17.3293 -17.3272 -17.3270 -17.2901 -17.2897 -17.2879 -17.2877 -3.7002 -3.7002 -3.5648 -3.5647 -3.2524 -3.2522 -3.1334 -3.1333 -3.0984 -3.0982 2.4516 2.4529 2.5901 2.5920 2.6057 2.6154 5.4847 5.5279 6.0471 6.0915 6.2522 6.2705 6.7005 6.7171 6.7281 6.7437 8.4390 8.5378 8.6308 8.6889 8.7472 8.8299 9.6135 9.6553 9.7286 9.7323 10.3962 10.3990 14.0286 14.0942 14.1075 14.1153 14.6884 14.7038 14.7090 14.7460 k = 0.4878 0.5000-0.0000 ( 5000 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3295 -17.3295 -17.3273 -17.3272 -17.2901 -17.2899 -17.2879 -17.2879 -3.7005 -3.7005 -3.5648 -3.5648 -3.2525 -3.2524 -3.1334 -3.1333 -3.0983 -3.0982 2.4734 2.4748 2.5933 2.5951 2.5978 2.6042 5.5528 5.5802 6.0157 6.0451 6.2141 6.2219 6.7010 6.7094 6.7283 6.7360 8.4901 8.5547 8.6464 8.6758 8.7219 8.7785 9.6221 9.6433 9.7280 9.7299 10.3941 10.3955 14.0632 14.1008 14.1062 14.1209 14.7037 14.7164 14.7201 14.7392 k = 0.5000 0.5000-0.0000 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0046 -25.0046 -17.3296 -17.3296 -17.3273 -17.3273 -17.2900 -17.2900 -17.2879 -17.2879 -3.7005 -3.7005 -3.5648 -3.5648 -3.2525 -3.2525 -3.1334 -3.1334 -3.0982 -3.0982 2.4824 2.4824 2.5937 2.5937 2.5983 2.5983 5.5901 5.5901 6.0136 6.0136 6.2039 6.2039 6.7039 6.7039 6.7309 6.7309 8.5340 8.5340 8.6616 8.6616 8.7370 8.7370 9.6322 9.6322 9.7284 9.7284 10.3939 10.3939 14.0871 14.0871 14.1162 14.1162 14.7189 14.7189 14.7257 14.7257 k = 0.5000 0.5000-0.0000 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0046 -25.0046 -17.3296 -17.3296 -17.3273 -17.3273 -17.2900 -17.2900 -17.2879 -17.2879 -3.7005 -3.7005 -3.5648 -3.5648 -3.2525 -3.2525 -3.1334 -3.1334 -3.0982 -3.0982 2.4824 2.4824 2.5937 2.5937 2.5983 2.5983 5.5901 5.5901 6.0136 6.0136 6.2039 6.2039 6.7039 6.7039 6.7309 6.7309 8.5340 8.5340 8.6616 8.6616 8.7370 8.7370 9.6322 9.6322 9.7284 9.7284 10.3939 10.3939 14.0871 14.0871 14.1162 14.1162 14.7189 14.7189 14.7257 14.7257 k = 0.4912 0.4912-0.0000 ( 5000 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3295 -17.3295 -17.3273 -17.3272 -17.2901 -17.2899 -17.2879 -17.2879 -3.7005 -3.7005 -3.5648 -3.5648 -3.2525 -3.2524 -3.1334 -3.1333 -3.0983 -3.0982 2.4730 2.4745 2.5950 2.5952 2.5973 2.6031 5.5521 5.5798 6.0157 6.0447 6.2160 6.2220 6.7009 6.7095 6.7283 6.7361 8.4891 8.5525 8.6510 8.6762 8.7190 8.7795 9.6220 9.6435 9.7281 9.7298 10.3942 10.3956 14.0604 14.1006 14.1047 14.1251 14.7039 14.7077 14.7335 14.7337 k = 0.4825 0.4825-0.0000 ( 4982 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0044 -25.0044 -25.0043 -25.0043 -17.3293 -17.3293 -17.3272 -17.3270 -17.2901 -17.2897 -17.2879 -17.2877 -3.7002 -3.7002 -3.5648 -3.5647 -3.2524 -3.2522 -3.1334 -3.1332 -3.0984 -3.0982 2.4493 2.4510 2.5978 2.5980 2.6001 2.6101 5.4844 5.5285 6.0421 6.0814 6.2674 6.2719 6.7005 6.7179 6.7283 6.7442 8.4344 8.5195 8.6684 8.6936 8.7267 8.8309 9.6133 9.6557 9.7292 9.7321 10.3963 10.3991 14.0139 14.0676 14.1231 14.1423 14.6786 14.6825 14.7390 14.7437 k = 0.4737 0.4737-0.0000 ( 4978 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0044 -25.0044 -25.0042 -25.0042 -17.3292 -17.3291 -17.3270 -17.3267 -17.2902 -17.2895 -17.2878 -17.2876 -3.6999 -3.6999 -3.5649 -3.5647 -3.2523 -3.2520 -3.1335 -3.1332 -3.0985 -3.0982 2.4151 2.4162 2.5994 2.6019 2.6050 2.6156 5.4056 5.4580 6.0690 6.1046 6.3550 6.3575 6.7027 6.7281 6.7332 6.7557 8.3738 8.4582 8.7010 8.7176 8.7493 8.8833 9.6064 9.6684 9.7323 9.7352 10.4005 10.4045 13.9503 14.0129 14.1505 14.1704 14.6377 14.6524 14.7438 14.7500 k = 0.4649 0.4649-0.0000 ( 4982 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0044 -25.0043 -25.0042 -25.0041 -17.3289 -17.3288 -17.3268 -17.3264 -17.2902 -17.2894 -17.2877 -17.2875 -3.6996 -3.6996 -3.5650 -3.5648 -3.2522 -3.2519 -3.1336 -3.1333 -3.0987 -3.0984 2.3727 2.3727 2.5986 2.6072 2.6105 2.6176 5.3254 5.3823 6.0897 6.1195 6.4618 6.4687 6.7081 6.7350 6.7508 6.7725 8.3085 8.3864 8.7374 8.7488 8.7803 8.9343 9.6018 9.6810 9.7382 9.7390 10.4067 10.4116 13.8751 13.9423 14.1859 14.2079 14.5892 14.6131 14.7489 14.7551 k = 0.4561 0.4561-0.0000 ( 4988 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0043 -25.0043 -25.0041 -25.0041 -17.3286 -17.3285 -17.3266 -17.3260 -17.2903 -17.2892 -17.2877 -17.2873 -3.6991 -3.6991 -3.5652 -3.5649 -3.2520 -3.2516 -3.1338 -3.1333 -3.0990 -3.0985 2.3221 2.3233 2.5935 2.6118 2.6168 2.6172 5.2483 5.3082 6.1065 6.1322 6.5766 6.5818 6.7178 6.7437 6.7850 6.7999 8.2391 8.3090 8.7761 8.7869 8.8161 8.9830 9.5997 9.6929 9.7436 9.7478 10.4151 10.4206 13.7926 13.8613 14.2278 14.2528 14.5362 14.5657 14.7550 14.7608 k = 0.4474 0.4474-0.0000 ( 4988 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0042 -25.0042 -25.0040 -25.0039 -17.3282 -17.3280 -17.3262 -17.3255 -17.2903 -17.2890 -17.2875 -17.2871 -3.6985 -3.6985 -3.5653 -3.5650 -3.2518 -3.2513 -3.1339 -3.1334 -3.0993 -3.0988 2.2654 2.2678 2.5834 2.6053 2.6233 2.6254 5.1768 5.2388 6.1220 6.1451 6.6695 6.6716 6.7359 6.7555 6.8563 6.8568 8.1661 8.2276 8.8148 8.8310 8.8567 9.0294 9.6007 9.7038 9.7491 9.7618 10.4256 10.4313 13.7062 13.7742 14.2732 14.3022 14.4811 14.5124 14.7621 14.7674 k = 0.4386 0.4386-0.0000 ( 4992 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0042 -25.0041 -25.0038 -25.0038 -17.3277 -17.3276 -17.3258 -17.3250 -17.2903 -17.2887 -17.2874 -17.2869 -3.6979 -3.6978 -3.5655 -3.5651 -3.2515 -3.2509 -3.1341 -3.1335 -3.0996 -3.0990 2.2031 2.2066 2.5679 2.5918 2.6326 2.6349 5.1121 5.1757 6.1375 6.1591 6.7170 6.7189 6.7661 6.7707 6.9647 6.9769 8.0900 8.1431 8.8503 8.8797 8.9041 9.0733 9.6051 9.7142 9.7558 9.7802 10.4384 10.4439 13.6183 13.6846 14.3153 14.3521 14.4289 14.4561 14.7702 14.7748 k = 0.4298 0.4298-0.0000 ( 4996 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0041 -25.0040 -25.0037 -25.0036 -17.3272 -17.3270 -17.3253 -17.3244 -17.2902 -17.2885 -17.2872 -17.2866 -3.6971 -3.6971 -3.5657 -3.5653 -3.2512 -3.2506 -3.1343 -3.1336 -3.1000 -3.0993 2.1358 2.1403 2.5473 2.5727 2.6432 2.6456 5.0550 5.1197 6.1537 6.1746 6.7406 6.7505 6.7892 6.7961 7.1082 7.1235 8.0114 8.0564 8.8816 8.9315 8.9581 9.1151 9.6133 9.7247 9.7640 9.8025 10.4534 10.4582 13.5309 13.5951 14.3236 14.3762 14.4081 14.4210 14.7792 14.7828 k = 0.4211 0.4211-0.0000 ( 4992 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0039 -25.0038 -25.0035 -25.0034 -17.3266 -17.3263 -17.3247 -17.3237 -17.2902 -17.2881 -17.2870 -17.2863 -3.6963 -3.6962 -3.5659 -3.5654 -3.2508 -3.2501 -3.1345 -3.1337 -3.1004 -3.0996 2.0639 2.0693 2.5216 2.5483 2.6549 2.6574 5.0059 5.0713 6.1708 6.1918 6.7627 6.7780 6.8109 6.8241 7.2673 7.2823 7.9310 7.9682 8.9096 8.9843 9.0168 9.1556 9.6251 9.7360 9.7740 9.8283 10.4708 10.4744 13.4459 13.5078 14.2770 14.3229 14.4376 14.4569 14.7888 14.7907 k = 0.4123 0.4123-0.0000 ( 4998 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0038 -25.0037 -25.0033 -25.0032 -17.3260 -17.3257 -17.3241 -17.3230 -17.2901 -17.2878 -17.2868 -17.2860 -3.6954 -3.6953 -3.5661 -3.5656 -3.2504 -3.2496 -3.1347 -3.1338 -3.1009 -3.1000 1.9880 1.9941 2.4910 2.5187 2.6675 2.6701 4.9649 5.0307 6.1889 6.2106 6.7868 6.8057 6.8359 6.8529 7.4348 7.4477 7.8495 7.8798 8.9349 9.0356 9.0782 9.1958 9.6405 9.7485 9.7866 9.8575 10.4906 10.4924 13.3649 13.4245 14.2167 14.2590 14.4737 14.4947 14.7982 14.7987 k = 0.4035 0.4035-0.0000 ( 4998 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0036 -25.0035 -25.0031 -25.0030 -17.3253 -17.3249 -17.3234 -17.3222 -17.2899 -17.2874 -17.2865 -17.2856 -3.6944 -3.6944 -3.5664 -3.5658 -3.2499 -3.2491 -3.1349 -3.1340 -3.1014 -3.1005 1.9086 1.9152 2.4557 2.4843 2.6808 2.6835 4.9321 4.9979 6.2082 6.2312 6.8139 6.8350 6.8647 6.8839 7.6071 7.6132 7.7686 7.7962 8.9583 9.0827 9.1407 9.2375 9.6586 9.7622 9.8024 9.8900 10.5123 10.5129 13.2892 13.3469 14.1533 14.1934 14.5045 14.5243 14.8047 14.8080 k = 0.3947 0.3947-0.0000 ( 4994 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0034 -25.0033 -25.0029 -25.0027 -17.3245 -17.3241 -17.3226 -17.3214 -17.2897 -17.2870 -17.2862 -17.2852 -3.6933 -3.6933 -3.5666 -3.5660 -3.2494 -3.2485 -3.1351 -3.1341 -3.1020 -3.1009 1.8260 1.8332 2.4162 2.4453 2.6947 2.6975 4.9072 4.9728 6.2284 6.2534 6.8438 6.8658 6.8979 6.9180 7.6784 7.6808 7.7912 7.8171 8.9802 9.1231 9.2029 9.2819 9.6785 9.7773 9.8226 9.9258 10.5342 10.5376 13.2204 13.2765 14.0886 14.1272 14.5273 14.5446 14.8098 14.8159 k = 0.3860 0.3860-0.0000 ( 4990 PWs) bands (ev): -50.6684 -50.6684 -50.6684 -50.6684 -25.0032 -25.0030 -25.0026 -25.0024 -17.3237 -17.3232 -17.3217 -17.3205 -17.2895 -17.2866 -17.2858 -17.2847 -3.6922 -3.6922 -3.5669 -3.5662 -3.2488 -3.2479 -3.1353 -3.1342 -3.1025 -3.1014 1.7409 1.7484 2.3728 2.4022 2.7089 2.7118 4.8901 4.9551 6.2495 6.2771 6.8765 6.8979 6.9362 6.9557 7.6002 7.6025 7.9705 7.9853 9.0010 9.1562 9.2636 9.3289 9.6988 9.7937 9.8481 9.9647 10.5580 10.5648 13.1596 13.2145 14.0232 14.0607 14.5416 14.5554 14.8133 14.8217 k = 0.3772 0.3772-0.0000 ( 4978 PWs) bands (ev): -50.6684 -50.6684 -50.6684 -50.6684 -25.0029 -25.0027 -25.0023 -25.0021 -17.3228 -17.3222 -17.3208 -17.3195 -17.2892 -17.2860 -17.2854 -17.2842 -3.6910 -3.6909 -3.5672 -3.5665 -3.2481 -3.2472 -3.1354 -3.1343 -3.1032 -3.1020 1.6537 1.6614 2.3258 2.3553 2.7232 2.7262 4.8805 4.9446 6.2712 6.3023 6.9116 6.9315 6.9797 6.9977 7.5150 7.5242 8.1543 8.1639 9.0216 9.1829 9.3215 9.3769 9.7185 9.8113 9.8797 10.0067 10.5838 10.5945 13.1079 13.1623 13.9575 13.9944 14.5472 14.5575 14.8150 14.8245 k = 0.3684 0.3684-0.0000 ( 4970 PWs) bands (ev): -50.6685 -50.6685 -50.6684 -50.6684 -25.0026 -25.0024 -25.0020 -25.0018 -17.3219 -17.3212 -17.3199 -17.3185 -17.2888 -17.2855 -17.2849 -17.2837 -3.6898 -3.6897 -3.5675 -3.5667 -3.2475 -3.2464 -3.1356 -3.1344 -3.1038 -3.1026 1.5647 1.5726 2.2756 2.3051 2.7373 2.7405 4.8780 4.9411 6.2933 6.3287 6.9488 6.9666 7.0283 7.0443 7.4312 7.4488 8.3400 8.3435 9.0426 9.2047 9.3761 9.4238 9.7375 9.8299 9.9173 10.0517 10.6117 10.6268 13.0664 13.1208 13.8914 13.9283 14.5447 14.5518 14.8148 14.8234 k = 0.3596 0.3596-0.0000 ( 4970 PWs) bands (ev): -50.6685 -50.6685 -50.6685 -50.6685 -25.0023 -25.0022 -25.0017 -25.0015 -17.3209 -17.3202 -17.3189 -17.3175 -17.2885 -17.2849 -17.2845 -17.2831 -3.6885 -3.6884 -3.5678 -3.5670 -3.2467 -3.2457 -3.1358 -3.1345 -3.1046 -3.1032 1.4746 1.4825 2.2228 2.2519 2.7510 2.7544 4.8824 4.9442 6.3153 6.3561 6.9878 7.0034 7.0818 7.0956 7.3506 7.3774 8.5206 8.5260 9.0659 9.2230 9.4272 9.4683 9.7558 9.8494 9.9606 10.0995 10.6418 10.6617 13.0356 13.0908 13.8253 13.8629 14.5349 14.5393 14.8123 14.8172 k = 0.3509 0.3509-0.0000 ( 4970 PWs) bands (ev): -50.6686 -50.6686 -50.6685 -50.6685 -25.0021 -25.0019 -25.0014 -25.0012 -17.3200 -17.3192 -17.3179 -17.3165 -17.2881 -17.2843 -17.2839 -17.2825 -3.6873 -3.6872 -3.5682 -3.5674 -3.2460 -3.2449 -3.1360 -3.1347 -3.1054 -3.1039 1.3835 1.3914 2.1675 2.1963 2.7641 2.7676 4.8932 4.9536 6.3368 6.3842 7.0287 7.0422 7.1396 7.1517 7.2745 7.3114 8.6893 8.7101 9.0948 9.2391 9.4759 9.5097 9.7744 9.8697 10.0089 10.1501 10.6741 10.6991 13.0157 13.0727 13.7592 13.7984 14.5187 14.5209 14.8049 14.8064 k = 0.3421 0.3421-0.0000 ( 4968 PWs) bands (ev): -50.6686 -50.6686 -50.6686 -50.6686 -25.0018 -25.0016 -25.0010 -25.0008 -17.3191 -17.3181 -17.3168 -17.3155 -17.2876 -17.2836 -17.2834 -17.2819 -3.6859 -3.6858 -3.5686 -3.5677 -3.2452 -3.2441 -3.1361 -3.1348 -3.1062 -3.1047 1.2920 1.2998 2.1104 2.1387 2.7762 2.7798 4.9101 4.9690 6.3571 6.4123 7.0712 7.0828 7.1926 7.2125 7.2131 7.2519 8.8379 8.8888 9.1364 9.2535 9.5256 9.5492 9.7945 9.8908 10.0613 10.2031 10.7087 10.7392 13.0064 13.0664 13.6932 13.7353 14.4969 14.4976 14.7871 14.7961 k = 0.3333 0.3333-0.0000 ( 4962 PWs) bands (ev): -50.6687 -50.6687 -50.6686 -50.6686 -25.0015 -25.0012 -25.0007 -25.0004 -17.3181 -17.3170 -17.3158 -17.3144 -17.2870 -17.2829 -17.2827 -17.2812 -3.6846 -3.6845 -3.5690 -3.5681 -3.2443 -3.2432 -3.1363 -3.1349 -3.1070 -3.1055 1.2003 1.2080 2.0518 2.0794 2.7871 2.7907 4.9328 4.9901 6.3756 6.4399 7.1154 7.1240 7.1392 7.2003 7.2704 7.2776 8.9476 9.0554 9.2008 9.2671 9.5842 9.5902 9.8185 9.9128 10.1172 10.2585 10.7458 10.7818 13.0065 13.0712 13.6277 13.6742 14.4701 14.4705 14.7664 14.7817 k = 0.3246 0.3246-0.0000 ( 4960 PWs) bands (ev): -50.6687 -50.6687 -50.6687 -50.6687 -25.0012 -25.0009 -25.0004 -25.0001 -17.3171 -17.3160 -17.3146 -17.3134 -17.2864 -17.2822 -17.2821 -17.2804 -3.6833 -3.6832 -3.5694 -3.5685 -3.2435 -3.2423 -3.1364 -3.1350 -3.1080 -3.1063 1.1088 1.1163 1.9919 2.0189 2.7964 2.8001 4.9610 5.0167 6.3915 6.4658 7.0818 7.1530 7.1662 7.1707 7.3405 7.3467 9.0124 9.1974 9.2788 9.2808 9.6389 9.6658 9.8520 9.9365 10.1760 10.3159 10.7854 10.8270 13.0140 13.0857 13.5634 13.6165 14.4390 14.4404 14.7462 14.7658 k = 0.3158 0.3158-0.0000 ( 4964 PWs) bands (ev): -50.6688 -50.6688 -50.6687 -50.6687 -25.0009 -25.0006 -25.0000 -24.9997 -17.3162 -17.3149 -17.3135 -17.3124 -17.2857 -17.2815 -17.2814 -17.2797 -3.6819 -3.6818 -3.5699 -3.5689 -3.2426 -3.2414 -3.1365 -3.1350 -3.1089 -3.1072 1.0178 1.0250 1.9312 1.9576 2.8039 2.8076 4.9944 5.0484 6.4040 6.4888 7.0364 7.1246 7.2104 7.2173 7.4141 7.4194 9.0504 9.2835 9.3108 9.3397 9.6968 9.7798 9.9087 9.9652 10.2373 10.3751 10.8276 10.8748 13.0254 13.1070 13.5017 13.5641 14.4049 14.4071 14.7295 14.7517 k = 0.3070 0.3070-0.0000 ( 4956 PWs) bands (ev): -50.6688 -50.6688 -50.6688 -50.6688 -25.0005 -25.0002 -24.9996 -24.9993 -17.3152 -17.3138 -17.3124 -17.3113 -17.2849 -17.2807 -17.2805 -17.2789 -3.6806 -3.6805 -3.5704 -3.5694 -3.2416 -3.2405 -3.1366 -3.1351 -3.1099 -3.1081 0.9274 0.9345 1.8700 1.8956 2.8093 2.8130 5.0328 5.0850 6.4128 6.5072 7.0031 7.1039 7.2601 7.2660 7.4906 7.4950 9.0770 9.3002 9.3658 9.3727 9.7493 9.9019 10.0087 10.0188 10.3007 10.4359 10.8725 10.9251 13.0355 13.1299 13.4461 13.5203 14.3683 14.3713 14.7183 14.7417 k = 0.2982 0.2982-0.0000 ( 4964 PWs) bands (ev): -50.6689 -50.6689 -50.6689 -50.6689 -25.0003 -24.9999 -24.9993 -24.9989 -17.3143 -17.3128 -17.3113 -17.3103 -17.2841 -17.2799 -17.2796 -17.2781 -3.6793 -3.6792 -3.5709 -3.5699 -3.2407 -3.2396 -3.1367 -3.1351 -3.1110 -3.1091 0.8381 0.8449 1.8086 1.8335 2.8123 2.8160 5.0759 5.1264 6.4178 6.5194 6.9841 7.0948 7.3117 7.3166 7.5694 7.5730 9.0985 9.3115 9.3851 9.3930 9.7854 9.9656 10.1508 10.1521 10.3661 10.4982 10.9201 10.9779 13.0378 13.1445 13.4042 13.4895 14.3294 14.3334 14.7132 14.7366 k = 0.2895 0.2895-0.0000 ( 4968 PWs) bands (ev): -50.6690 -50.6690 -50.6689 -50.6689 -25.0000 -24.9996 -24.9989 -24.9986 -17.3134 -17.3119 -17.3102 -17.3092 -17.2832 -17.2790 -17.2787 -17.2772 -3.6780 -3.6779 -3.5714 -3.5704 -3.2398 -3.2386 -3.1367 -3.1352 -3.1121 -3.1102 0.7499 0.7564 1.7473 1.7713 2.8127 2.8163 5.1235 5.1723 6.4196 6.5249 6.9803 7.0972 7.3653 7.3692 7.6495 7.6524 9.1179 9.3213 9.3847 9.4027 9.8104 9.9958 10.3196 10.3259 10.4341 10.5617 10.9706 11.0330 13.0255 13.1359 13.3887 13.4761 14.2887 14.2939 14.7118 14.7345 k = 0.2807 0.2807-0.0000 ( 4972 PWs) bands (ev): -50.6690 -50.6690 -50.6690 -50.6690 -24.9996 -24.9993 -24.9986 -24.9982 -17.3125 -17.3110 -17.3091 -17.3082 -17.2821 -17.2781 -17.2778 -17.2763 -3.6767 -3.6766 -3.5720 -3.5709 -3.2388 -3.2377 -3.1368 -3.1352 -3.1132 -3.1113 0.6631 0.6693 1.6862 1.7095 2.8104 2.8139 5.1754 5.2225 6.4193 6.5245 6.9911 7.1104 7.4207 7.4236 7.7300 7.7321 9.1363 9.3291 9.3774 9.4045 9.8299 10.0191 10.4787 10.5107 10.5233 10.6274 11.0238 11.0904 12.9955 13.0983 13.4033 13.4808 14.2465 14.2531 14.7035 14.7290 k = 0.2719 0.2719-0.0000 ( 4978 PWs) bands (ev): -50.6691 -50.6691 -50.6691 -50.6691 -24.9993 -24.9989 -24.9982 -24.9978 -17.3117 -17.3102 -17.3080 -17.3071 -17.2811 -17.2771 -17.2767 -17.2754 -3.6755 -3.6754 -3.5726 -3.5715 -3.2378 -3.2367 -3.1368 -3.1352 -3.1144 -3.1125 0.5778 0.5837 1.6256 1.6482 2.8051 2.8085 5.2315 5.2770 6.4183 6.5202 7.0147 7.1331 7.4779 7.4798 7.8096 7.8110 9.1542 9.3340 9.3673 9.4050 9.8466 10.0399 10.5607 10.6737 10.6948 10.7184 11.0798 11.1500 12.9490 13.0406 13.4368 13.5001 14.2029 14.2109 14.6663 14.6956 k = 0.2632 0.2632-0.0000 ( 4972 PWs) bands (ev): -50.6692 -50.6692 -50.6691 -50.6691 -24.9989 -24.9986 -24.9978 -24.9974 -17.3109 -17.3094 -17.3069 -17.3060 -17.2799 -17.2760 -17.2756 -17.2744 -3.6742 -3.6741 -3.5732 -3.5721 -3.2368 -3.2357 -3.1367 -3.1352 -3.1156 -3.1136 0.4942 0.4998 1.5658 1.5876 2.7969 2.8001 5.2917 5.3355 6.4179 6.5146 7.0487 7.1641 7.5369 7.5377 7.8867 7.8872 9.1720 9.3364 9.3581 9.4083 9.8617 10.0591 10.6305 10.7491 10.8790 10.8967 11.1383 11.2114 12.8899 12.9722 13.4785 13.5288 14.1580 14.1676 14.6008 14.6230 k = 0.2544 0.2544-0.0000 ( 4963 PWs) bands (ev): -50.6692 -50.6692 -50.6692 -50.6692 -24.9986 -24.9982 -24.9973 -24.9969 -17.3100 -17.3086 -17.3058 -17.3049 -17.2786 -17.2749 -17.2745 -17.2733 -3.6730 -3.6729 -3.5738 -3.5727 -3.2357 -3.2347 -3.1366 -3.1351 -3.1168 -3.1148 0.4124 0.4178 1.5069 1.5279 2.7856 2.7887 5.3557 5.3979 6.4194 6.5101 7.0908 7.2022 7.5972 7.5975 7.9589 7.9593 9.1895 9.3388 9.3533 9.4156 9.8758 10.0770 10.6996 10.8149 11.0613 11.0813 11.1994 11.2746 12.8216 12.8978 13.5231 13.5625 14.1117 14.1230 14.5239 14.5417 k = 0.2456 0.2456-0.0000 ( 4959 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9982 -24.9978 -24.9969 -24.9965 -17.3093 -17.3080 -17.3047 -17.3038 -17.2773 -17.2737 -17.2733 -17.2722 -3.6718 -3.6717 -3.5744 -3.5733 -3.2347 -3.2337 -3.1365 -3.1350 -3.1180 -3.1160 0.3327 0.3377 1.4491 1.4693 2.7713 2.7742 5.4236 5.4642 6.4239 6.5082 7.1393 7.2462 7.6580 7.6597 8.0237 8.0254 9.2065 9.3459 9.3569 9.4258 9.8891 10.0936 10.7684 10.8798 11.2377 11.2533 11.2706 11.3393 12.7466 12.8197 13.5685 13.5989 14.0636 14.0768 14.4434 14.4586 k = 0.2368 0.2368-0.0000 ( 4963 PWs) bands (ev): -50.6693 -50.6693 -50.6693 -50.6693 -24.9979 -24.9975 -24.9965 -24.9961 -17.3086 -17.3074 -17.3037 -17.3027 -17.2759 -17.2725 -17.2721 -17.2711 -3.6707 -3.6706 -3.5750 -3.5739 -3.2337 -3.2327 -3.1364 -3.1350 -3.1193 -3.1173 0.2550 0.2597 1.3925 1.4119 2.7541 2.7568 5.4952 5.5343 6.4321 6.5100 7.1930 7.2954 7.7199 7.7233 8.0793 8.0826 9.2229 9.3618 9.3722 9.4381 9.9018 10.1089 10.8370 10.9442 11.3252 11.3963 11.4141 11.4356 12.6668 12.7396 13.6143 13.6369 14.0131 14.0284 14.3626 14.3759 k = 0.2281 0.2281-0.0000 ( 4963 PWs) bands (ev): -50.6694 -50.6694 -50.6694 -50.6694 -24.9975 -24.9971 -24.9961 -24.9957 -17.3080 -17.3069 -17.3026 -17.3017 -17.2745 -17.2713 -17.2709 -17.2700 -3.6696 -3.6695 -3.5757 -3.5746 -3.2327 -3.2318 -3.1363 -3.1349 -3.1206 -3.1185 0.1795 0.1839 1.3373 1.3559 2.7342 2.7366 5.5703 5.6080 6.4445 6.5163 7.2511 7.3489 7.7824 7.7880 8.1236 8.1291 9.2389 9.3902 9.4020 9.4517 9.9143 10.1228 10.9052 11.0081 11.3910 11.4688 11.5627 11.5969 12.5839 12.6593 13.6606 13.6763 13.9597 13.9772 14.2838 14.2954 k = 0.2193 0.2193-0.0000 ( 4955 PWs) bands (ev): -50.6695 -50.6695 -50.6694 -50.6694 -24.9971 -24.9967 -24.9956 -24.9952 -17.3073 -17.3063 -17.3016 -17.3006 -17.2730 -17.2701 -17.2696 -17.2688 -3.6686 -3.6685 -3.5763 -3.5752 -3.2317 -3.2308 -3.1361 -3.1347 -3.1219 -3.1198 0.1063 0.1105 1.2835 1.3014 2.7117 2.7138 5.6490 5.6852 6.4614 6.5273 7.3128 7.4062 7.8450 7.8535 8.1555 8.1640 9.2555 9.4326 9.4474 9.4670 9.9265 10.1353 10.9730 11.0715 11.4571 11.5348 11.7001 11.7431 12.5007 12.5819 13.7073 13.7166 13.9031 13.9229 14.2090 14.2190 k = 0.2105 0.2105-0.0000 ( 4955 PWs) bands (ev): -50.6695 -50.6695 -50.6695 -50.6695 -24.9968 -24.9964 -24.9953 -24.9948 -17.3067 -17.3059 -17.3006 -17.2997 -17.2715 -17.2688 -17.2683 -17.2676 -3.6676 -3.6675 -3.5770 -3.5759 -3.2308 -3.2299 -3.1359 -3.1346 -3.1232 -3.1212 0.0355 0.0394 1.2313 1.2485 2.6869 2.6888 5.7312 5.7659 6.4828 6.5432 7.3777 7.4669 7.9061 7.9188 8.1755 8.1883 9.2730 9.4747 9.4989 9.5088 9.9387 10.1464 11.0402 11.1342 11.5228 11.5994 11.8126 11.8671 12.4227 12.5133 13.7507 13.7531 13.8469 13.8685 14.1401 14.1486 k = 0.2018 0.2018-0.0000 ( 4955 PWs) bands (ev): -50.6696 -50.6696 -50.6695 -50.6695 -24.9964 -24.9960 -24.9949 -24.9945 -17.3062 -17.3055 -17.2997 -17.2987 -17.2700 -17.2675 -17.2670 -17.2664 -3.6666 -3.6666 -3.5777 -3.5766 -3.2299 -3.2291 -3.1356 -3.1344 -3.1245 -3.1225 -0.0329 -0.0293 1.1809 1.1973 2.6601 2.6617 5.8166 5.8500 6.5086 6.5638 7.4455 7.5304 7.9633 7.9820 8.1862 8.2051 9.2917 9.4925 9.5704 9.5856 9.9512 10.1559 11.1066 11.1960 11.5874 11.6615 11.8890 11.9541 12.3631 12.4637 13.7450 13.7579 13.8302 13.8452 14.0784 14.0862 k = 0.1930 0.1930-0.0000 ( 4951 PWs) bands (ev): -50.6696 -50.6696 -50.6696 -50.6696 -24.9960 -24.9956 -24.9945 -24.9941 -17.3057 -17.3051 -17.2988 -17.2978 -17.2685 -17.2662 -17.2657 -17.2652 -3.6657 -3.6657 -3.5784 -3.5773 -3.2289 -3.2282 -3.1354 -3.1343 -3.1258 -3.1239 -0.0987 -0.0954 1.1322 1.1478 2.6315 2.6329 5.9054 5.9374 6.5387 6.5889 7.5158 7.5965 8.0110 8.0378 8.1945 8.2214 9.3113 9.5077 9.6576 9.6764 9.9648 10.1640 11.1719 11.2565 11.6494 11.7177 11.9183 11.9798 12.3466 12.4455 13.6798 13.7004 13.8618 13.8777 14.0258 14.0352 k = 0.1842 0.1842-0.0000 ( 4947 PWs) bands (ev): -50.6697 -50.6697 -50.6696 -50.6696 -24.9957 -24.9953 -24.9941 -24.9937 -17.3052 -17.3047 -17.2979 -17.2969 -17.2670 -17.2648 -17.2643 -17.2640 -3.6649 -3.6648 -3.5791 -3.5780 -3.2280 -3.2273 -3.1351 -3.1342 -3.1270 -3.1252 -0.1619 -0.1588 1.0853 1.1002 2.6015 2.6027 5.9974 6.0281 6.5729 6.6183 7.5884 7.6647 8.0409 8.0731 8.2156 8.2476 9.3316 9.5225 9.7545 9.7794 9.9812 10.1707 11.2362 11.3150 11.7056 11.7563 11.9096 11.9417 12.3784 12.4606 13.6026 13.6254 13.8851 13.9030 13.9843 14.0077 k = 0.1754 0.1754-0.0000 ( 4951 PWs) bands (ev): -50.6698 -50.6698 -50.6697 -50.6697 -24.9954 -24.9950 -24.9937 -24.9933 -17.3048 -17.3044 -17.2971 -17.2961 -17.2655 -17.2636 -17.2630 -17.2628 -3.6641 -3.6641 -3.5798 -3.5787 -3.2272 -3.2265 -3.1349 -3.1341 -3.1283 -3.1266 -0.2225 -0.2197 1.0404 1.0546 2.5705 2.5714 6.0926 6.1218 6.6107 6.6515 7.6630 7.7347 8.0481 8.0777 8.2615 8.2904 9.3525 9.5369 9.8528 9.8925 10.0067 10.1762 11.2990 11.3699 11.7420 11.7421 11.8828 11.9115 12.4306 12.4956 13.5212 13.5450 13.8740 13.8857 13.9069 13.9306 k = 0.1667 0.1667-0.0000 ( 4949 PWs) bands (ev): -50.6698 -50.6698 -50.6697 -50.6697 -24.9950 -24.9947 -24.9933 -24.9929 -17.3044 -17.3041 -17.2963 -17.2953 -17.2640 -17.2623 -17.2617 -17.2615 -3.6633 -3.6633 -3.5805 -3.5795 -3.2264 -3.2258 -3.1346 -3.1340 -3.1294 -3.1280 -0.2804 -0.2778 0.9974 1.0109 2.5387 2.5395 6.1907 6.2186 6.6519 6.6882 7.7392 7.8058 8.0375 8.0622 8.3236 8.3468 9.3737 9.5510 9.9294 10.0131 10.0621 10.1811 11.3602 11.4164 11.6674 11.7127 11.8746 11.9465 12.4832 12.5362 13.4381 13.4625 13.7704 13.8104 13.8517 13.8524 k = 0.1579 0.1579-0.0000 ( 4955 PWs) bands (ev): -50.6699 -50.6699 -50.6698 -50.6698 -24.9947 -24.9944 -24.9930 -24.9926 -17.3041 -17.3039 -17.2956 -17.2946 -17.2625 -17.2610 -17.2605 -17.2603 -3.6626 -3.6626 -3.5813 -3.5802 -3.2256 -3.2251 -3.1344 -3.1342 -3.1304 -3.1293 -0.3355 -0.3332 0.9564 0.9692 2.5066 2.5072 6.2918 6.3183 6.6960 6.7280 7.8166 7.8771 8.0164 8.0382 8.3925 8.4108 9.3952 9.5646 9.9673 10.1330 10.1628 10.1920 11.4186 11.4370 11.5656 11.6483 11.9117 11.9914 12.5291 12.5748 13.3548 13.3796 13.6366 13.6864 13.8107 13.8120 k = 0.1491 0.1491-0.0000 ( 4957 PWs) bands (ev): -50.6699 -50.6699 -50.6698 -50.6698 -24.9945 -24.9941 -24.9926 -24.9923 -17.3038 -17.3036 -17.2949 -17.2938 -17.2611 -17.2598 -17.2592 -17.2592 -3.6620 -3.6620 -3.5820 -3.5809 -3.2249 -3.2244 -3.1345 -3.1341 -3.1312 -3.1307 -0.3879 -0.3857 0.9176 0.9296 2.4743 2.4748 6.3956 6.4207 6.7428 6.7705 7.8935 7.9431 7.9908 8.0156 8.4641 8.4787 9.4170 9.5777 9.9875 10.1748 10.2847 10.2859 11.3921 11.4362 11.4892 11.6305 11.9551 12.0359 12.5666 12.6083 13.2725 13.2975 13.5043 13.5566 13.7721 13.7726 k = 0.1404 0.1404-0.0000 ( 4963 PWs) bands (ev): -50.6700 -50.6700 -50.6699 -50.6699 -24.9942 -24.9939 -24.9923 -24.9920 -17.3035 -17.3034 -17.2942 -17.2932 -17.2597 -17.2586 -17.2580 -17.2580 -3.6614 -3.6614 -3.5827 -3.5817 -3.2242 -3.2238 -3.1351 -3.1338 -3.1320 -3.1316 -0.4374 -0.4354 0.8808 0.8921 2.4423 2.4426 6.5019 6.5254 6.7918 6.8153 7.9441 7.9587 7.9891 8.0416 8.5367 8.5484 9.4389 9.5904 10.0024 10.1773 10.4171 10.4187 11.2908 11.3192 11.5378 11.6600 11.9961 12.0768 12.5957 12.6360 13.1920 13.2173 13.3746 13.4283 13.7344 13.7348 k = 0.1316 0.1316-0.0000 ( 4961 PWs) bands (ev): -50.6700 -50.6700 -50.6699 -50.6699 -24.9939 -24.9936 -24.9920 -24.9916 -17.3032 -17.3032 -17.2935 -17.2926 -17.2584 -17.2574 -17.2569 -17.2568 -3.6609 -3.6609 -3.5833 -3.5824 -3.2236 -3.2232 -3.1360 -3.1337 -3.1330 -3.1317 -0.4841 -0.4823 0.8462 0.8567 2.4109 2.4110 6.6103 6.6320 6.8430 6.8623 7.9205 7.9314 8.0605 8.1097 8.6093 8.6184 9.4611 9.6028 10.0154 10.1765 10.5505 10.5562 11.1693 11.1914 11.5914 11.7043 12.0325 12.1125 12.6168 12.6580 13.1142 13.1395 13.2489 13.3043 13.6980 13.6990 k = 0.1228 0.1228-0.0000 ( 4957 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9936 -24.9933 -24.9917 -24.9914 -17.3030 -17.3029 -17.2929 -17.2920 -17.2571 -17.2563 -17.2558 -17.2556 -3.6604 -3.6603 -3.5840 -3.5831 -3.2230 -3.2226 -3.1369 -3.1346 -3.1331 -3.1316 -0.5278 -0.5262 0.8137 0.8236 2.3802 2.3803 6.7199 6.7391 6.8969 6.9116 7.8891 7.8996 8.1391 8.1818 8.6810 8.6877 9.4836 9.6148 10.0275 10.1740 10.6807 10.6923 11.0420 11.0636 11.6437 11.7521 12.0631 12.1423 12.6298 12.6745 13.0387 13.0622 13.1312 13.1874 13.6637 13.6652 k = 0.1140 0.1140-0.0000 ( 4963 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9934 -24.9931 -24.9914 -24.9911 -17.3028 -17.3027 -17.2924 -17.2915 -17.2559 -17.2552 -17.2548 -17.2545 -3.6599 -3.6599 -3.5846 -3.5837 -3.2225 -3.2221 -3.1379 -3.1357 -3.1329 -3.1315 -0.5687 -0.5672 0.7834 0.7926 2.3506 2.3506 6.8286 6.8436 6.9561 6.9648 7.8575 7.8679 8.2177 8.2536 8.7511 8.7553 9.5065 9.6266 10.0390 10.1701 10.7845 10.8070 10.9315 10.9585 11.6947 11.8003 12.0874 12.1655 12.6340 12.6850 12.9635 12.9743 13.0353 13.0837 13.6319 13.6336 k = 0.1053 0.1053-0.0000 ( 4959 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9931 -24.9928 -24.9911 -24.9909 -17.3026 -17.3025 -17.2918 -17.2909 -17.2548 -17.2542 -17.2538 -17.2535 -3.6595 -3.6595 -3.5852 -3.5844 -3.2220 -3.2217 -3.1389 -3.1369 -3.1326 -3.1314 -0.6066 -0.6053 0.7554 0.7638 2.3222 2.3223 6.9293 6.9361 7.0280 7.0290 7.8270 7.8375 8.2949 8.3238 8.8187 8.8202 9.5299 9.6383 10.0498 10.1645 10.7453 10.7498 10.9888 10.9918 11.7450 11.8478 12.1052 12.1819 12.6270 12.6878 12.8694 12.8832 12.9718 13.0034 13.6030 13.6048 k = 0.0965 0.0965-0.0000 ( 4949 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9928 -24.9925 -24.9908 -24.9906 -17.3024 -17.3023 -17.2913 -17.2905 -17.2536 -17.2531 -17.2528 -17.2524 -3.6591 -3.6590 -3.5858 -3.5850 -3.2215 -3.2212 -3.1398 -3.1379 -3.1323 -3.1312 -0.6415 -0.6403 0.7295 0.7372 2.2954 2.2955 7.0070 7.0079 7.1144 7.1242 7.7985 7.8095 8.3697 8.3914 8.8812 8.8826 9.5539 9.6495 10.0597 10.1565 10.6237 10.6246 11.1009 11.1111 11.7953 11.8942 12.1166 12.1917 12.6054 12.6782 12.7641 12.7976 12.9313 12.9532 13.5773 13.5788 k = 0.0877 0.0877-0.0000 ( 4957 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9926 -24.9924 -24.9906 -24.9904 -17.3023 -17.3022 -17.2909 -17.2901 -17.2527 -17.2523 -17.2520 -17.2515 -3.6588 -3.6587 -3.5863 -3.5856 -3.2211 -3.2208 -3.1407 -3.1390 -3.1321 -3.1311 -0.6734 -0.6724 0.7059 0.7129 2.2703 2.2705 7.0632 7.0657 7.2218 7.2332 7.7728 7.7848 8.4410 8.4556 8.9370 8.9416 9.5784 9.6597 10.0685 10.1443 10.4978 10.4987 11.2093 11.2294 11.8468 11.9394 12.1222 12.1953 12.5652 12.6351 12.6837 12.7166 12.9122 12.9302 13.5550 13.5560 k = 0.0789 0.0789-0.0000 ( 4953 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9924 -24.9922 -24.9904 -24.9902 -17.3021 -17.3020 -17.2905 -17.2897 -17.2517 -17.2514 -17.2511 -17.2507 -3.6585 -3.6584 -3.5868 -3.5861 -3.2207 -3.2205 -3.1415 -3.1399 -3.1318 -3.1309 -0.7024 -0.7015 0.6846 0.6909 2.2471 2.2473 7.1125 7.1141 7.3366 7.3459 7.7513 7.7654 8.5079 8.5155 8.9860 8.9940 9.6029 9.6674 10.0759 10.1233 10.3766 10.3857 11.3056 11.3361 11.9003 11.9836 12.1229 12.1939 12.5064 12.5453 12.6452 12.6489 12.9135 12.9291 13.5361 13.5365 k = 0.0702 0.0702-0.0000 ( 4969 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9923 -24.9921 -24.9903 -24.9901 -17.3020 -17.3019 -17.2901 -17.2895 -17.2510 -17.2508 -17.2504 -17.2500 -3.6583 -3.6582 -3.5873 -3.5867 -3.2204 -3.2202 -3.1422 -3.1408 -3.1316 -3.1309 -0.7283 -0.7275 0.6655 0.6711 2.2259 2.2261 7.1572 7.1574 7.4503 7.4545 7.7375 7.7558 8.5690 8.5702 9.0264 9.0377 9.6257 9.6700 10.0812 10.0852 10.2676 10.2979 11.3853 11.4269 11.9553 12.0261 12.1205 12.1890 12.4366 12.4535 12.5950 12.6104 12.9320 12.9459 13.5201 13.5203 k = 0.0614 0.0614-0.0000 ( 4975 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9922 -24.9920 -24.9901 -24.9899 -17.3019 -17.3018 -17.2898 -17.2892 -17.2503 -17.2501 -17.2497 -17.2493 -3.6580 -3.6580 -3.5877 -3.5872 -3.2201 -3.2200 -3.1429 -3.1417 -3.1314 -3.1308 -0.7512 -0.7505 0.6487 0.6536 2.2069 2.2071 7.1969 7.1979 7.5454 7.5495 7.7432 7.7687 8.6188 8.6230 9.0557 9.0693 9.6434 9.6636 10.0272 10.0834 10.1792 10.2444 11.4468 11.4985 12.0090 12.0644 12.1172 12.1830 12.3671 12.3690 12.5507 12.5761 12.9650 12.9779 13.5066 13.5075 k = 0.0526 0.0526-0.0000 ( 4977 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9921 -24.9919 -24.9899 -24.9898 -17.3019 -17.3018 -17.2895 -17.2890 -17.2496 -17.2495 -17.2491 -17.2487 -3.6579 -3.6578 -3.5881 -3.5876 -3.2199 -3.2198 -3.1434 -3.1424 -3.1312 -3.1307 -0.7711 -0.7705 0.6342 0.6384 2.1902 2.1904 7.2323 7.2342 7.5957 7.6046 7.7969 7.8258 8.6606 8.6688 9.0704 9.0848 9.6457 9.6496 9.9685 10.0788 10.1218 10.2160 11.4913 11.5494 12.0546 12.0897 12.1179 12.1779 12.2967 12.3088 12.5136 12.5442 13.0107 13.0235 13.4959 13.4971 k = 0.0439 0.0439-0.0000 ( 4979 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9920 -24.9918 -24.9898 -24.9897 -17.3018 -17.3017 -17.2893 -17.2888 -17.2491 -17.2491 -17.2485 -17.2482 -3.6577 -3.6577 -3.5883 -3.5880 -3.2197 -3.2196 -3.1439 -3.1430 -3.1311 -3.1306 -0.7879 -0.7874 0.6219 0.6254 2.1759 2.1761 7.2635 7.2659 7.6091 7.6157 7.8975 7.9227 8.6947 8.7050 9.0668 9.0791 9.6191 9.6383 9.9331 10.0629 10.1016 10.1990 11.5216 11.5809 12.0830 12.0935 12.1200 12.1667 12.2517 12.2754 12.4829 12.5155 13.0679 13.0808 13.4874 13.4889 k = 0.0351 0.0351-0.0000 ( 4979 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9918 -24.9917 -24.9897 -24.9896 -17.3017 -17.3016 -17.2890 -17.2887 -17.2487 -17.2486 -17.2481 -17.2478 -3.6576 -3.6575 -3.5886 -3.5883 -3.2196 -3.2195 -3.1442 -3.1435 -3.1309 -3.1305 -0.8016 -0.8013 0.6120 0.6148 2.1642 2.1643 7.2900 7.2925 7.6082 7.6123 8.0144 8.0355 8.7195 8.7297 9.0423 9.0496 9.5930 9.6143 9.9270 10.0517 10.0972 10.1861 11.5415 11.5961 12.0839 12.0912 12.1092 12.1336 12.2523 12.2737 12.4586 12.4905 13.1341 13.1468 13.4810 13.4825 k = 0.0263 0.0263-0.0000 ( 4983 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9918 -24.9917 -24.9896 -24.9896 -17.3016 -17.3016 -17.2889 -17.2886 -17.2484 -17.2483 -17.2478 -17.2475 -3.6575 -3.6575 -3.5887 -3.5885 -3.2195 -3.2194 -3.1445 -3.1440 -3.1307 -3.1305 -0.8123 -0.8121 0.6043 0.6064 2.1549 2.1550 7.3113 7.3136 7.6036 7.6062 8.1334 8.1509 8.7318 8.7401 9.0002 9.0013 9.5747 9.5907 9.9400 10.0466 10.0983 10.1743 11.5545 11.5997 12.0603 12.0763 12.1017 12.1079 12.2722 12.2879 12.4408 12.4692 13.2053 13.2172 13.4762 13.4773 k = 0.0175 0.0175-0.0000 ( 4983 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9917 -24.9917 -24.9896 -24.9895 -17.3016 -17.3016 -17.2887 -17.2885 -17.2482 -17.2481 -17.2475 -17.2473 -3.6574 -3.6574 -3.5889 -3.5887 -3.2194 -3.2193 -3.1447 -3.1443 -3.1306 -3.1304 -0.8200 -0.8198 0.5989 0.6003 2.1483 2.1484 7.3271 7.3288 7.5991 7.6006 8.2466 8.2604 8.7255 8.7309 8.9499 8.9535 9.5652 9.5748 9.9615 10.0392 10.1059 10.1620 11.5639 11.5959 12.0361 12.0473 12.0989 12.1015 12.2919 12.3027 12.4297 12.4515 13.2751 13.2852 13.4723 13.4730 k = 0.0088 0.0088-0.0000 ( 5003 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9918 -24.9918 -24.9896 -24.9895 -17.3016 -17.3016 -17.2887 -17.2886 -17.2481 -17.2481 -17.2473 -17.2473 -3.6575 -3.6575 -3.5890 -3.5889 -3.2194 -3.2194 -3.1448 -3.1446 -3.1306 -3.1305 -0.8245 -0.8244 0.5958 0.5965 2.1443 2.1443 7.3370 7.3379 7.5962 7.5968 8.3408 8.3494 8.6986 8.7018 8.9162 8.9199 9.5620 9.5663 9.9851 10.0258 10.1188 10.1484 11.5721 11.5886 12.0206 12.0261 12.0978 12.0989 12.3061 12.3119 12.4257 12.4377 13.3330 13.3393 13.4689 13.4692 k = 0.0000 0.0000 0.0000 ( 4991 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9917 -24.9917 -24.9895 -24.9895 -17.3015 -17.3015 -17.2886 -17.2886 -17.2480 -17.2480 -17.2472 -17.2472 -3.6574 -3.6574 -3.5889 -3.5889 -3.2193 -3.2193 -3.1447 -3.1447 -3.1305 -3.1305 -0.8260 -0.8260 0.5951 0.5951 2.1430 2.1430 7.3406 7.3406 7.5953 7.5953 8.3853 8.3853 8.6803 8.6803 8.9074 8.9074 9.5625 9.5625 10.0072 10.0072 10.1337 10.1337 11.5803 11.5803 12.0169 12.0169 12.0977 12.0977 12.3131 12.3131 12.4287 12.4287 13.3598 13.3598 13.4669 13.4669 k = 0.0000 0.0000 0.0000 ( 4991 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9917 -24.9917 -24.9895 -24.9895 -17.3015 -17.3015 -17.2886 -17.2886 -17.2480 -17.2480 -17.2472 -17.2472 -3.6574 -3.6574 -3.5889 -3.5889 -3.2193 -3.2193 -3.1447 -3.1447 -3.1305 -3.1305 -0.8260 -0.8260 0.5951 0.5951 2.1430 2.1430 7.3406 7.3406 7.5953 7.5953 8.3853 8.3853 8.6803 8.6803 8.9074 8.9074 9.5625 9.5625 10.0072 10.0072 10.1337 10.1337 11.5803 11.5803 12.0169 12.0169 12.0977 12.0977 12.3131 12.3131 12.4287 12.4287 13.3598 13.3598 13.4669 13.4669 k = 0.0000 0.0000 0.0119 ( 5000 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9918 -24.9918 -24.9895 -24.9895 -17.3016 -17.3016 -17.2886 -17.2886 -17.2481 -17.2481 -17.2472 -17.2472 -3.6575 -3.6575 -3.5889 -3.5889 -3.2194 -3.2194 -3.1447 -3.1447 -3.1305 -3.1305 -0.8247 -0.8247 0.5904 0.5904 2.1479 2.1479 7.2996 7.2996 7.6374 7.6374 8.3857 8.3857 8.6806 8.6806 8.9078 8.9078 9.5617 9.5617 10.0064 10.0064 10.1323 10.1323 11.5798 11.5798 12.0196 12.0196 12.0997 12.0997 12.3151 12.3151 12.4230 12.4230 13.3600 13.3600 13.4668 13.4668 k = 0.0000 0.0000 0.0238 ( 5000 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9918 -24.9918 -24.9895 -24.9895 -17.3015 -17.3015 -17.2886 -17.2886 -17.2481 -17.2481 -17.2472 -17.2472 -3.6575 -3.6575 -3.5889 -3.5889 -3.2194 -3.2194 -3.1447 -3.1447 -3.1305 -3.1305 -0.8207 -0.8207 0.5768 0.5768 2.1622 2.1622 7.2145 7.2145 7.7254 7.7254 8.3870 8.3870 8.6817 8.6817 8.9089 8.9089 9.5594 9.5594 10.0039 10.0039 10.1280 10.1280 11.5779 11.5779 12.0274 12.0274 12.1056 12.1056 12.3212 12.3212 12.4069 12.4069 13.3604 13.3604 13.4663 13.4663 k = 0.0000 0.0000 0.0357 ( 5000 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9918 -24.9918 -24.9895 -24.9895 -17.3014 -17.3014 -17.2887 -17.2887 -17.2481 -17.2481 -17.2473 -17.2473 -3.6575 -3.6575 -3.5889 -3.5889 -3.2194 -3.2194 -3.1447 -3.1447 -3.1305 -3.1305 -0.8142 -0.8142 0.5548 0.5548 2.1855 2.1855 7.1175 7.1175 7.8270 7.8270 8.3893 8.3893 8.6836 8.6836 8.9109 8.9109 9.5555 9.5555 9.9999 9.9999 10.1211 10.1211 11.5737 11.5737 12.0399 12.0399 12.1146 12.1146 12.3307 12.3307 12.3831 12.3831 13.3610 13.3610 13.4656 13.4656 k = 0.0000 0.0000 0.0476 ( 5012 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9918 -24.9918 -24.9896 -24.9896 -17.3013 -17.3013 -17.2889 -17.2889 -17.2481 -17.2481 -17.2473 -17.2473 -3.6575 -3.6575 -3.5890 -3.5890 -3.2194 -3.2194 -3.1448 -3.1448 -3.1306 -3.1306 -0.8050 -0.8050 0.5254 0.5254 2.2164 2.2164 7.0180 7.0180 7.9327 7.9327 8.3928 8.3928 8.6862 8.6862 8.9136 8.9136 9.5503 9.5503 9.9945 9.9945 10.1118 10.1118 11.5656 11.5656 12.0559 12.0559 12.1257 12.1257 12.3397 12.3397 12.3600 12.3600 13.3620 13.3620 13.4645 13.4645 k = 0.0000 0.0000 0.0595 ( 4992 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9917 -24.9917 -24.9895 -24.9895 -17.3010 -17.3010 -17.2890 -17.2890 -17.2480 -17.2480 -17.2473 -17.2473 -3.6574 -3.6574 -3.5889 -3.5889 -3.2194 -3.2194 -3.1447 -3.1447 -3.1305 -3.1305 -0.7933 -0.7933 0.4897 0.4897 2.2539 2.2539 6.9189 6.9189 8.0386 8.0386 8.3981 8.3981 8.6899 8.6899 8.9170 8.9170 9.5439 9.5439 9.9879 9.9879 10.1005 10.1005 11.5515 11.5515 12.0725 12.0725 12.1375 12.1375 12.3263 12.3263 12.3664 12.3664 13.3631 13.3631 13.4632 13.4632 k = 0.0000 0.0000 0.0714 ( 5000 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9917 -24.9917 -24.9896 -24.9896 -17.3008 -17.3008 -17.2892 -17.2892 -17.2481 -17.2481 -17.2473 -17.2473 -3.6575 -3.6575 -3.5889 -3.5889 -3.2194 -3.2194 -3.1447 -3.1447 -3.1305 -3.1305 -0.7791 -0.7791 0.4488 0.4488 2.2965 2.2965 6.8218 6.8218 8.1416 8.1416 8.4067 8.4067 8.6948 8.6948 8.9210 8.9210 9.5366 9.5366 9.9805 9.9805 10.0877 10.0877 11.5282 11.5282 12.0834 12.0834 12.1511 12.1511 12.3158 12.3158 12.3857 12.3857 13.3646 13.3646 13.4616 13.4616 k = 0.0000 0.0000 0.0832 ( 4992 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9916 -24.9916 -24.9896 -24.9896 -17.3005 -17.3005 -17.2895 -17.2895 -17.2481 -17.2481 -17.2473 -17.2473 -3.6575 -3.6575 -3.5889 -3.5889 -3.2194 -3.2194 -3.1447 -3.1447 -3.1304 -3.1304 -0.7626 -0.7626 0.4039 0.4039 2.3429 2.3429 6.7275 6.7275 8.2359 8.2359 8.4224 8.4224 8.7017 8.7017 8.9256 8.9256 9.5285 9.5285 9.9724 9.9724 10.0737 10.0737 11.4930 11.4930 12.0814 12.0814 12.1718 12.1718 12.3227 12.3227 12.4084 12.4084 13.3662 13.3662 13.4598 13.4598 k = 0.0000 0.0000 0.0951 ( 4976 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9914 -24.9914 -24.9897 -24.9897 -17.3002 -17.3002 -17.2897 -17.2897 -17.2479 -17.2479 -17.2473 -17.2473 -3.6574 -3.6574 -3.5889 -3.5889 -3.2193 -3.2193 -3.1447 -3.1447 -3.1304 -3.1304 -0.7437 -0.7437 0.3562 0.3562 2.3917 2.3917 6.6368 6.6368 8.3092 8.3092 8.4556 8.4556 8.7119 8.7119 8.9307 8.9307 9.5200 9.5200 9.9641 9.9641 10.0593 10.0593 11.4436 11.4436 12.0703 12.0703 12.2002 12.2002 12.3458 12.3458 12.4332 12.4332 13.3681 13.3681 13.4577 13.4577 k = 0.0000 0.0000 0.1070 ( 4976 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9913 -24.9913 -24.9898 -24.9898 -17.2998 -17.2998 -17.2900 -17.2900 -17.2479 -17.2479 -17.2474 -17.2474 -3.6574 -3.6574 -3.5889 -3.5889 -3.2193 -3.2193 -3.1446 -3.1446 -3.1304 -3.1304 -0.7228 -0.7228 0.3065 0.3065 2.4416 2.4416 6.5505 6.5505 8.3498 8.3498 8.5135 8.5135 8.7286 8.7286 8.9363 8.9363 9.5115 9.5115 9.9557 9.9557 10.0451 10.0451 11.3797 11.3797 12.0586 12.0586 12.2333 12.2333 12.3804 12.3804 12.4595 12.4595 13.3703 13.3703 13.4555 13.4555 k = 0.0000 0.0000 0.1189 ( 4968 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9912 -24.9912 -24.9897 -24.9897 -17.2994 -17.2994 -17.2904 -17.2904 -17.2479 -17.2479 -17.2473 -17.2473 -3.6573 -3.6573 -3.5889 -3.5889 -3.2193 -3.2193 -3.1446 -3.1446 -3.1304 -3.1304 -0.6999 -0.6999 0.2558 0.2558 2.4913 2.4913 6.4691 6.4691 8.3685 8.3685 8.5770 8.5770 8.7591 8.7591 8.9422 8.9422 9.5034 9.5034 9.9477 9.9477 10.0317 10.0317 11.3027 11.3027 12.0508 12.0508 12.2686 12.2686 12.4228 12.4228 12.4865 12.4865 13.3726 13.3726 13.4530 13.4530 k = 0.0000 0.0000 0.1308 ( 4944 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9910 -24.9910 -24.9897 -24.9897 -17.2989 -17.2989 -17.2906 -17.2906 -17.2478 -17.2478 -17.2473 -17.2473 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1445 -3.1445 -3.1303 -3.1303 -0.6754 -0.6754 0.2051 0.2051 2.5398 2.5398 6.3935 6.3935 8.3788 8.3788 8.6231 8.6231 8.8116 8.8116 8.9484 8.9484 9.4962 9.4962 9.9400 9.9400 10.0202 10.0202 11.2155 11.2155 12.0478 12.0478 12.3045 12.3045 12.4702 12.4702 12.5137 12.5137 13.3751 13.3751 13.4504 13.4504 k = 0.0000 0.0000 0.1427 ( 4952 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9911 -24.9911 -24.9898 -24.9898 -17.2986 -17.2986 -17.2910 -17.2910 -17.2478 -17.2478 -17.2473 -17.2473 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.6496 -0.6496 0.1552 0.1552 2.5858 2.5858 6.3243 6.3243 8.3856 8.3856 8.6489 8.6489 8.8814 8.8814 8.9553 8.9553 9.4907 9.4907 9.9329 9.9329 10.0115 10.0115 11.1215 11.1215 12.0487 12.0487 12.3398 12.3398 12.5195 12.5195 12.5414 12.5414 13.3778 13.3778 13.4476 13.4476 k = 0.0000 0.0000 0.1546 ( 4948 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9910 -24.9910 -24.9898 -24.9898 -17.2982 -17.2982 -17.2914 -17.2914 -17.2478 -17.2478 -17.2474 -17.2474 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.6230 -0.6230 0.1069 0.1069 2.6282 2.6282 6.2623 6.2623 8.3906 8.3906 8.6632 8.6632 8.9467 8.9467 8.9722 8.9722 9.4875 9.4875 9.9262 9.9262 10.0070 10.0070 11.0242 11.0242 12.0522 12.0522 12.3732 12.3732 12.5588 12.5588 12.5788 12.5788 13.3806 13.3806 13.4448 13.4448 k = 0.0000 0.0000 0.1665 ( 4952 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9909 -24.9909 -24.9899 -24.9899 -17.2978 -17.2978 -17.2918 -17.2918 -17.2478 -17.2478 -17.2474 -17.2474 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.5963 -0.5963 0.0614 0.0614 2.6662 2.6662 6.2083 6.2083 8.3946 8.3946 8.6719 8.6719 8.9617 8.9617 9.0350 9.0350 9.4873 9.4873 9.9198 9.9198 10.0079 10.0079 10.9269 10.9269 12.0571 12.0571 12.4037 12.4037 12.5832 12.5832 12.6280 12.6280 13.3834 13.3834 13.4420 13.4420 k = 0.0000 0.0000 0.1784 ( 4952 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9909 -24.9909 -24.9900 -24.9900 -17.2974 -17.2974 -17.2922 -17.2922 -17.2478 -17.2478 -17.2474 -17.2474 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.5706 -0.5706 0.0200 0.0200 2.6987 2.6987 6.1629 6.1629 8.3977 8.3977 8.6777 8.6777 8.9674 8.9674 9.0969 9.0969 9.4907 9.4907 9.9138 9.9138 10.0151 10.0151 10.8336 10.8336 12.0623 12.0623 12.4304 12.4304 12.6027 12.6027 12.6755 12.6755 13.3861 13.3861 13.4393 13.4393 k = 0.0000 0.0000 0.1903 ( 4952 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9908 -24.9908 -24.9900 -24.9900 -17.2970 -17.2970 -17.2926 -17.2926 -17.2478 -17.2478 -17.2475 -17.2475 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.5472 -0.5472 -0.0159 -0.0159 2.7250 2.7250 6.1267 6.1267 8.4001 8.4001 8.6816 8.6816 8.9716 8.9716 9.1462 9.1462 9.4973 9.4973 9.9084 9.9084 10.0280 10.0280 10.7486 10.7486 12.0672 12.0672 12.4522 12.4522 12.6184 12.6184 12.7172 12.7172 13.3886 13.3886 13.4369 13.4369 k = 0.0000 0.0000 0.2022 ( 4956 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9907 -24.9907 -24.9902 -24.9902 -17.2966 -17.2966 -17.2930 -17.2930 -17.2478 -17.2478 -17.2475 -17.2475 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.5280 -0.5280 -0.0440 -0.0440 2.7442 2.7442 6.1005 6.1005 8.4018 8.4018 8.6842 8.6842 8.9746 8.9746 9.1806 9.1806 9.5053 9.5053 9.9042 9.9042 10.0442 10.0442 10.6782 10.6782 12.0710 12.0710 12.4685 12.4685 12.6299 12.6299 12.7499 12.7499 13.3907 13.3907 13.4349 13.4349 k = 0.0000 0.0000 0.2141 ( 4948 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9906 -24.9906 -24.9901 -24.9901 -17.2963 -17.2963 -17.2932 -17.2932 -17.2477 -17.2477 -17.2475 -17.2475 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.5152 -0.5152 -0.0623 -0.0623 2.7560 2.7560 6.0846 6.0846 8.4028 8.4028 8.6857 8.6857 8.9765 8.9765 9.2005 9.2005 9.5119 9.5119 9.9015 9.9015 10.0586 10.0586 10.6302 10.6302 12.0735 12.0735 12.4785 12.4785 12.6369 12.6369 12.7709 12.7709 13.3921 13.3921 13.4335 13.4335 k = 0.0000 0.0000 0.2260 ( 4948 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9906 -24.9906 -24.9902 -24.9902 -17.2962 -17.2962 -17.2933 -17.2933 -17.2477 -17.2477 -17.2475 -17.2475 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.5106 -0.5106 -0.0686 -0.0686 2.7600 2.7600 6.0792 6.0792 8.4031 8.4031 8.6862 8.6862 8.9771 8.9771 9.2069 9.2069 9.5145 9.5145 9.9006 9.9006 10.0645 10.0645 10.6130 10.6130 12.0743 12.0743 12.4819 12.4819 12.6393 12.6393 12.7781 12.7781 13.3926 13.3926 13.4330 13.4330 k = 0.0000 0.0000 0.2260 ( 4948 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9906 -24.9906 -24.9902 -24.9902 -17.2962 -17.2962 -17.2933 -17.2933 -17.2477 -17.2477 -17.2475 -17.2475 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.5106 -0.5106 -0.0686 -0.0686 2.7600 2.7600 6.0792 6.0792 8.4031 8.4031 8.6862 8.6862 8.9771 8.9771 9.2069 9.2069 9.5145 9.5145 9.9006 9.9006 10.0645 10.0645 10.6130 10.6130 12.0743 12.0743 12.4819 12.4819 12.6393 12.6393 12.7781 12.7781 13.3926 13.3926 13.4330 13.4330 k = 0.0000 0.0122 0.2260 ( 4948 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9906 -24.9906 -24.9902 -24.9902 -17.2963 -17.2962 -17.2934 -17.2932 -17.2478 -17.2477 -17.2476 -17.2475 -3.6573 -3.6573 -3.5888 -3.5887 -3.2193 -3.2192 -3.1446 -3.1444 -3.1304 -3.1303 -0.5095 -0.5091 -0.0672 -0.0671 2.7605 2.7608 6.0795 6.0816 8.3542 8.3618 8.7032 8.7191 8.9881 8.9933 9.1858 9.2255 9.4902 9.5251 9.8790 9.8799 10.0731 10.0828 10.6287 10.6309 12.0579 12.0766 12.4644 12.4774 12.6494 12.6495 12.7755 12.7772 13.3901 13.3913 13.4229 13.4301 k = 0.0000 0.0244 0.2260 ( 4956 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9907 -24.9907 -24.9903 -24.9902 -17.2964 -17.2962 -17.2936 -17.2932 -17.2481 -17.2480 -17.2477 -17.2475 -3.6574 -3.6574 -3.5888 -3.5886 -3.2194 -3.2193 -3.1446 -3.1442 -3.1304 -3.1303 -0.5057 -0.5048 -0.0628 -0.0627 2.7624 2.7630 6.0825 6.0868 8.2475 8.2631 8.7417 8.7664 9.0264 9.0312 9.1640 9.2393 9.4542 9.5222 9.8294 9.8414 10.0983 10.1081 10.6754 10.6788 12.0290 12.0646 12.4318 12.4513 12.6720 12.6787 12.7697 12.7748 13.3612 13.3682 13.4337 13.4390 k = 0.0000 0.0366 0.2260 ( 4958 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9908 -24.9908 -24.9903 -24.9903 -17.2965 -17.2962 -17.2938 -17.2931 -17.2484 -17.2484 -17.2478 -17.2476 -3.6575 -3.6574 -3.5887 -3.5884 -3.2195 -3.2194 -3.1444 -3.1439 -3.1306 -3.1303 -0.4993 -0.4978 -0.0555 -0.0553 2.7656 2.7665 6.0882 6.0947 8.1169 8.1394 8.7753 8.8015 9.0624 9.0800 9.1625 9.2347 9.4218 9.5057 9.7789 9.8059 10.1244 10.1282 10.7448 10.7482 11.9904 12.0403 12.3893 12.4102 12.6966 12.7168 12.7643 12.7772 13.3166 13.3260 13.4634 13.4670 k = 0.0000 0.0488 0.2260 ( 4960 PWs) bands (ev): -50.6703 -50.6703 -50.6703 -50.6703 -24.9909 -24.9908 -24.9905 -24.9904 -17.2967 -17.2963 -17.2940 -17.2931 -17.2490 -17.2489 -17.2480 -17.2478 -3.6576 -3.6575 -3.5885 -3.5882 -3.2196 -3.2195 -3.1442 -3.1435 -3.1307 -3.1304 -0.4901 -0.4882 -0.0452 -0.0449 2.7701 2.7714 6.0965 6.1053 7.9745 8.0027 8.8019 8.8260 9.0356 9.1255 9.1865 9.2240 9.4250 9.4779 9.7414 9.7804 10.1427 10.1472 10.8275 10.8306 11.9450 12.0065 12.3391 12.3588 12.7087 12.7353 12.7843 12.7975 13.2681 13.2783 13.5010 13.5026 k = 0.0000 0.0610 0.2260 ( 4960 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9910 -24.9909 -24.9906 -24.9905 -17.2969 -17.2965 -17.2941 -17.2931 -17.2496 -17.2494 -17.2481 -17.2480 -3.6577 -3.6576 -3.5883 -3.5879 -3.2197 -3.2196 -3.1438 -3.1430 -3.1309 -3.1304 -0.4783 -0.4759 -0.0320 -0.0317 2.7759 2.7774 6.1073 6.1186 7.8250 7.8580 8.8245 8.8461 8.9701 9.0896 9.1685 9.3086 9.4469 9.4651 9.7192 9.7647 10.1532 10.1672 10.9157 10.9182 11.8957 11.9666 12.2826 12.3002 12.7053 12.7269 12.8351 12.8386 13.2189 13.2299 13.5389 13.5402 k = 0.0000 0.0732 0.2260 ( 4948 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9910 -24.9909 -24.9907 -24.9905 -17.2972 -17.2967 -17.2942 -17.2931 -17.2504 -17.2500 -17.2483 -17.2482 -3.6578 -3.6577 -3.5880 -3.5875 -3.2198 -3.2197 -3.1434 -3.1424 -3.1310 -3.1305 -0.4638 -0.4609 -0.0159 -0.0155 2.7828 2.7846 6.1205 6.1345 7.6706 7.7079 8.8447 8.8640 8.8835 8.9785 9.1958 9.3808 9.4333 9.5218 9.7084 9.7571 10.1611 10.1852 11.0037 11.0050 11.8451 11.9233 12.2213 12.2363 12.6956 12.7146 12.8907 12.8925 13.1710 13.1830 13.5698 13.5741 k = 0.0000 0.0854 0.2260 ( 4944 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9911 -24.9910 -24.9908 -24.9906 -17.2975 -17.2971 -17.2942 -17.2930 -17.2512 -17.2508 -17.2485 -17.2485 -3.6579 -3.6579 -3.5877 -3.5871 -3.2200 -3.2199 -3.1428 -3.1417 -3.1312 -3.1306 -0.4466 -0.4433 0.0032 0.0036 2.7907 2.7929 6.1360 6.1530 7.5129 7.5542 8.7768 8.8348 8.8856 8.8861 9.2173 9.3815 9.4931 9.5814 9.7054 9.7570 10.1670 10.2016 11.0859 11.0869 11.7964 11.8792 12.1569 12.1691 12.6849 12.7026 12.9474 12.9501 13.1266 13.1414 13.5912 13.5965 k = 0.0000 0.0976 0.2260 ( 4950 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9913 -24.9911 -24.9910 -24.9908 -17.2980 -17.2976 -17.2942 -17.2930 -17.2523 -17.2518 -17.2488 -17.2487 -3.6582 -3.6581 -3.5873 -3.5867 -3.2203 -3.2201 -3.1422 -3.1409 -3.1314 -3.1308 -0.4268 -0.4231 0.0251 0.0255 2.7996 2.8022 6.1535 6.1741 7.3527 7.3982 8.6604 8.7142 8.8983 8.9077 9.2346 9.3667 9.5656 9.6342 9.7091 9.7659 10.1713 10.2166 11.1556 11.1616 11.7532 11.8366 12.0909 12.1000 12.6762 12.6928 12.9953 12.9979 13.0946 13.1168 13.6025 13.6063 k = 0.0000 0.1098 0.2260 ( 4960 PWs) bands (ev): -50.6703 -50.6703 -50.6701 -50.6701 -24.9915 -24.9913 -24.9913 -24.9911 -17.2986 -17.2983 -17.2942 -17.2930 -17.2534 -17.2529 -17.2491 -17.2491 -3.6584 -3.6583 -3.5869 -3.5862 -3.2206 -3.2204 -3.1415 -3.1401 -3.1317 -3.1309 -0.4043 -0.4002 0.0499 0.0504 2.8094 2.8123 6.1725 6.1975 7.1909 7.2410 8.5364 8.5802 8.9227 8.9311 9.2489 9.3545 9.6249 9.6724 9.7231 9.7867 10.1738 10.2297 11.2091 11.2247 11.7197 11.7976 12.0249 12.0303 12.6716 12.6868 12.9986 13.0034 13.1130 13.1385 13.6056 13.6066 k = 0.0000 0.1220 0.2260 ( 4952 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9916 -24.9914 -24.9914 -24.9912 -17.2992 -17.2990 -17.2941 -17.2929 -17.2546 -17.2540 -17.2494 -17.2493 -3.6587 -3.6586 -3.5864 -3.5857 -3.2209 -3.2207 -3.1407 -3.1392 -3.1319 -3.1311 -0.3792 -0.3747 0.0775 0.0780 2.8197 2.8231 6.1923 6.2230 7.0284 7.0842 8.4078 8.4439 8.9497 8.9563 9.2607 9.3447 9.6607 9.6947 9.7546 9.8176 10.1747 10.2404 11.2423 11.2736 11.6994 11.7636 11.9608 11.9612 12.6731 12.6863 12.9706 12.9720 13.1733 13.1956 13.6009 13.6031 k = 0.0000 0.1341 0.2260 ( 4960 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9919 -24.9917 -24.9917 -24.9914 -17.3000 -17.2999 -17.2940 -17.2927 -17.2559 -17.2553 -17.2497 -17.2496 -3.6590 -3.6589 -3.5859 -3.5852 -3.2212 -3.2210 -3.1399 -3.1382 -3.1322 -3.1313 -0.3515 -0.3466 0.1079 0.1085 2.8306 2.8344 6.2114 6.2501 6.8659 6.9297 8.2770 8.3073 8.9790 8.9831 9.2701 9.3364 9.6771 9.7075 9.7979 9.8496 10.1744 10.2480 11.2543 11.3066 11.6928 11.7351 11.8942 11.9006 12.6820 12.6927 12.9359 12.9367 13.2427 13.2626 13.5916 13.5972 k = 0.0000 0.1463 0.2260 ( 4964 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9921 -24.9919 -24.9919 -24.9916 -17.3009 -17.3009 -17.2939 -17.2926 -17.2573 -17.2567 -17.2500 -17.2498 -3.6593 -3.6592 -3.5854 -3.5846 -3.2216 -3.2214 -3.1390 -3.1372 -3.1324 -3.1315 -0.3213 -0.3159 0.1412 0.1418 2.8418 2.8460 6.2263 6.2773 6.7055 6.7813 8.1456 8.1715 9.0103 9.0111 9.2768 9.3285 9.6862 9.7164 9.8402 9.8747 10.1738 10.2520 11.2492 11.3236 11.6953 11.7111 11.8313 11.8469 12.6991 12.7065 12.9015 12.9042 13.3149 13.3322 13.5804 13.5896 k = 0.0000 0.1585 0.2260 ( 4970 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9924 -24.9922 -24.9922 -24.9919 -17.3020 -17.3019 -17.2938 -17.2925 -17.2588 -17.2581 -17.2503 -17.2501 -3.6596 -3.6595 -3.5849 -3.5840 -3.2220 -3.2218 -3.1380 -3.1362 -3.1326 -3.1316 -0.2885 -0.2828 0.1772 0.1778 2.8530 2.8577 6.2289 6.2991 6.5527 6.6477 8.0148 8.0375 9.0397 9.0434 9.2802 9.3205 9.6931 9.7236 9.8754 9.8889 10.1742 10.2520 11.2335 11.3255 11.6892 11.6981 11.7770 11.8029 12.7232 12.7261 12.8717 12.8772 13.3877 13.4009 13.5689 13.5826 k = 0.0000 0.1707 0.2260 ( 4968 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9926 -24.9924 -24.9924 -24.9921 -17.3031 -17.3029 -17.2936 -17.2923 -17.2603 -17.2596 -17.2505 -17.2503 -3.6600 -3.6599 -3.5843 -3.5833 -3.2224 -3.2222 -3.1370 -3.1351 -3.1329 -3.1318 -0.2531 -0.2471 0.2159 0.2166 2.8640 2.8692 6.1999 6.2825 6.4411 6.5483 7.8858 7.9060 9.0676 9.0781 9.2793 9.3120 9.6991 9.7301 9.8905 9.9016 10.1767 10.2487 11.2123 11.3141 11.6672 11.6828 11.7468 11.7716 12.7450 12.7483 12.8522 12.8629 13.4582 13.4633 13.5597 13.5814 k = 0.0000 0.1829 0.2260 ( 4968 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9929 -24.9927 -24.9926 -24.9923 -17.3043 -17.3041 -17.2935 -17.2922 -17.2618 -17.2612 -17.2507 -17.2505 -3.6603 -3.6602 -3.5837 -3.5827 -3.2229 -3.2226 -3.1359 -3.1340 -3.1330 -3.1318 -0.2153 -0.2089 0.2574 0.2580 2.8746 2.8803 6.1187 6.1686 6.4294 6.5041 7.7594 7.7779 9.0926 9.1139 9.2732 9.3039 9.7050 9.7357 9.8809 9.9175 10.1812 10.2431 11.1883 11.2908 11.6439 11.6446 11.7453 11.7549 12.7499 12.7583 12.8583 12.8736 13.5030 13.5102 13.5693 13.6024 k = 0.0000 0.1951 0.2260 ( 4976 PWs) bands (ev): -50.6700 -50.6700 -50.6699 -50.6699 -24.9932 -24.9929 -24.9929 -24.9926 -17.3057 -17.3053 -17.2935 -17.2920 -17.2634 -17.2628 -17.2509 -17.2507 -3.6607 -3.6606 -3.5831 -3.5821 -3.2233 -3.2230 -3.1350 -3.1334 -3.1331 -3.1316 -0.1750 -0.1683 0.3015 0.3021 2.8843 2.8906 5.9958 6.0173 6.4581 6.5046 7.6363 7.6538 9.1101 9.1499 9.2609 9.2989 9.7108 9.7396 9.8642 9.9231 10.1865 10.2366 11.1619 11.2578 11.6045 11.6196 11.7528 11.7533 12.7386 12.7470 12.8949 12.9106 13.5108 13.5155 13.6261 13.6549 k = 0.0000 0.2073 0.2260 ( 4978 PWs) bands (ev): -50.6700 -50.6700 -50.6699 -50.6699 -24.9935 -24.9932 -24.9932 -24.9929 -17.3071 -17.3067 -17.2934 -17.2919 -17.2649 -17.2644 -17.2510 -17.2509 -3.6611 -3.6610 -3.5824 -3.5814 -3.2238 -3.2235 -3.1345 -3.1332 -3.1328 -3.1308 -0.1323 -0.1253 0.3482 0.3488 2.8929 2.8997 5.8540 5.8598 6.4959 6.5274 7.5172 7.5346 9.1137 9.1813 9.2449 9.3018 9.7168 9.7400 9.8462 9.9192 10.1911 10.2306 11.1326 11.2174 11.5690 11.5943 11.7647 11.7665 12.7209 12.7281 12.9464 12.9625 13.5059 13.5079 13.6966 13.7203 k = 0.0000 0.2195 0.2260 ( 4978 PWs) bands (ev): -50.6699 -50.6699 -50.6699 -50.6699 -24.9937 -24.9935 -24.9935 -24.9932 -17.3085 -17.3081 -17.2934 -17.2918 -17.2665 -17.2660 -17.2512 -17.2510 -3.6616 -3.6615 -3.5818 -3.5807 -3.2243 -3.2239 -3.1344 -3.1333 -3.1318 -3.1296 -0.0872 -0.0800 0.3975 0.3981 2.9000 2.9074 5.7014 5.7047 6.5373 6.5610 7.4030 7.4211 9.0981 9.1816 9.2497 9.3164 9.7231 9.7344 9.8334 9.9078 10.1939 10.2256 11.0999 11.1723 11.5386 11.5681 11.7861 11.7893 12.7022 12.7086 13.0046 13.0223 13.4984 13.4999 13.7688 13.7887 k = 0.0000 0.2317 0.2260 ( 4980 PWs) bands (ev): -50.6699 -50.6699 -50.6698 -50.6698 -24.9940 -24.9938 -24.9938 -24.9935 -17.3100 -17.3095 -17.2934 -17.2917 -17.2680 -17.2677 -17.2512 -17.2511 -3.6620 -3.6619 -3.5812 -3.5801 -3.2248 -3.2244 -3.1345 -3.1335 -3.1306 -3.1284 -0.0399 -0.0325 0.4493 0.4499 2.9052 2.9133 5.5437 5.5528 6.5804 6.6006 7.2943 7.3145 9.0637 9.1422 9.2823 9.3409 9.7226 9.7296 9.8289 9.8911 10.1942 10.2214 11.0640 11.1249 11.5121 11.5414 11.8137 11.8250 12.6846 12.6903 13.0662 13.0867 13.4915 13.4941 13.8409 13.8574 k = 0.0000 0.2439 0.2260 ( 4966 PWs) bands (ev): -50.6699 -50.6699 -50.6698 -50.6698 -24.9942 -24.9940 -24.9940 -24.9937 -17.3114 -17.3109 -17.2934 -17.2917 -17.2694 -17.2692 -17.2512 -17.2511 -3.6624 -3.6623 -3.5805 -3.5794 -3.2252 -3.2248 -3.1347 -3.1336 -3.1294 -3.1271 0.0096 0.0172 0.5036 0.5041 2.9081 2.9168 5.3875 5.4005 6.6236 6.6440 7.1918 7.2161 9.0140 9.0849 9.3202 9.3711 9.7075 9.7364 9.8310 9.8715 10.1922 10.2179 11.0259 11.0772 11.4881 11.5146 11.8501 11.8702 12.6686 12.6737 13.1293 13.1539 13.4868 13.4915 13.9122 13.9253 k = 0.0000 0.2561 0.2260 ( 4978 PWs) bands (ev): -50.6698 -50.6698 -50.6697 -50.6697 -24.9946 -24.9944 -24.9943 -24.9939 -17.3130 -17.3125 -17.2936 -17.2917 -17.2708 -17.2708 -17.2513 -17.2511 -3.6628 -3.6628 -3.5799 -3.5788 -3.2257 -3.2254 -3.1350 -3.1339 -3.1281 -3.1259 0.0612 0.0690 0.5602 0.5607 2.9082 2.9176 5.2331 5.2490 6.6647 6.6897 7.0966 7.1287 8.9520 9.0151 9.3585 9.4035 9.6922 9.7435 9.8367 9.8507 10.1885 10.2151 10.9868 11.0306 11.4653 11.4878 11.8953 11.9234 12.6543 12.6588 13.1927 13.2226 13.4852 13.4932 13.9825 13.9916 k = 0.0000 0.2683 0.2260 ( 4988 PWs) bands (ev): -50.6698 -50.6698 -50.6697 -50.6697 -24.9950 -24.9947 -24.9946 -24.9943 -17.3147 -17.3141 -17.2938 -17.2918 -17.2723 -17.2722 -17.2513 -17.2511 -3.6633 -3.6632 -3.5793 -3.5782 -3.2262 -3.2259 -3.1352 -3.1342 -3.1268 -3.1246 0.1148 0.1227 0.6193 0.6197 2.9052 2.9152 5.0810 5.0988 6.6992 6.7359 7.0104 7.0567 8.8800 8.9352 9.3955 9.4356 9.6775 9.7495 9.8305 9.8438 10.1845 10.2135 10.9482 10.9863 11.4429 11.4612 11.9488 11.9835 12.6417 12.6456 13.2552 13.2919 13.4878 13.4999 14.0506 14.0511 k = 0.0000 0.2805 0.2260 ( 4984 PWs) bands (ev): -50.6697 -50.6697 -50.6697 -50.6697 -24.9952 -24.9949 -24.9949 -24.9945 -17.3162 -17.3157 -17.2941 -17.2920 -17.2736 -17.2733 -17.2512 -17.2511 -3.6638 -3.6637 -3.5787 -3.5776 -3.2267 -3.2264 -3.1354 -3.1344 -3.1255 -3.1233 0.1704 0.1783 0.6806 0.6809 2.8985 2.9092 4.9313 4.9507 6.7188 6.7778 6.9381 7.0089 8.8002 8.8475 9.4299 9.4654 9.6630 9.7498 9.8157 9.8511 10.1815 10.2137 10.9112 10.9455 11.4206 11.4348 12.0096 12.0495 12.6306 12.6338 13.3158 13.3609 13.4955 13.5127 14.0378 14.1059 k = 0.0000 0.2927 0.2260 ( 4980 PWs) bands (ev): -50.6697 -50.6697 -50.6696 -50.6696 -24.9955 -24.9952 -24.9951 -24.9948 -17.3178 -17.3172 -17.2945 -17.2923 -17.2748 -17.2744 -17.2512 -17.2510 -3.6642 -3.6641 -3.5781 -3.5770 -3.2272 -3.2268 -3.1356 -3.1346 -3.1242 -3.1221 0.2276 0.2356 0.7441 0.7443 2.8879 2.8992 4.7844 4.8049 6.7138 6.7924 6.9024 6.9953 8.7145 8.7540 9.4603 9.4912 9.6475 9.7363 9.8144 9.8583 10.1811 10.2166 10.8772 10.9092 11.3978 11.4082 12.0768 12.1205 12.6204 12.6229 13.3736 13.4284 13.5093 13.5319 13.9931 14.0776 k = 0.0000 0.3049 0.2260 ( 4968 PWs) bands (ev): -50.6696 -50.6696 -50.6696 -50.6696 -24.9956 -24.9954 -24.9954 -24.9950 -17.3193 -17.3187 -17.2949 -17.2927 -17.2758 -17.2753 -17.2510 -17.2509 -3.6646 -3.6645 -3.5775 -3.5764 -3.2276 -3.2273 -3.1358 -3.1348 -3.1229 -3.1208 0.2864 0.2944 0.8097 0.8099 2.8729 2.8848 4.6406 4.6619 6.6862 6.7563 6.9272 7.0139 8.6246 8.6565 9.4844 9.5111 9.6306 9.7105 9.8256 9.8659 10.1844 10.2226 10.8472 10.8782 11.3743 11.3813 12.1494 12.1961 12.6108 12.6124 13.4276 13.4905 13.5330 13.5577 13.9438 14.0381 k = 0.0000 0.3171 0.2260 ( 4968 PWs) bands (ev): -50.6696 -50.6696 -50.6695 -50.6695 -24.9958 -24.9956 -24.9956 -24.9953 -17.3208 -17.3203 -17.2954 -17.2932 -17.2768 -17.2762 -17.2509 -17.2508 -3.6650 -3.6650 -3.5769 -3.5759 -3.2280 -3.2277 -3.1359 -3.1350 -3.1217 -3.1196 0.3466 0.3545 0.8773 0.8774 2.8533 2.8657 4.5001 4.5220 6.6488 6.7074 6.9741 7.0519 8.5322 8.5567 9.4982 9.5224 9.6141 9.6803 9.8427 9.8745 10.1919 10.2321 10.8223 10.8537 11.3499 11.3536 12.2267 12.2755 12.6011 12.6018 13.4771 13.5350 13.5781 13.5892 13.8930 13.9987 k = 0.0000 0.3293 0.2260 ( 4968 PWs) bands (ev): -50.6696 -50.6696 -50.6695 -50.6695 -24.9961 -24.9959 -24.9959 -24.9955 -17.3223 -17.3218 -17.2961 -17.2938 -17.2775 -17.2769 -17.2508 -17.2507 -3.6654 -3.6654 -3.5764 -3.5754 -3.2285 -3.2282 -3.1361 -3.1352 -3.1205 -3.1185 0.4079 0.4157 0.9469 0.9469 2.8287 2.8416 4.3633 4.3855 6.6115 6.6629 7.0255 7.0993 8.4389 8.4560 9.4948 9.5199 9.6041 9.6536 9.8622 9.8846 10.2033 10.2452 10.8034 10.8366 11.3246 11.3249 12.3077 12.3582 12.5903 12.5908 13.5216 13.5675 13.6241 13.6374 13.8434 13.9641 k = 0.0000 0.3415 0.2260 ( 4972 PWs) bands (ev): -50.6695 -50.6695 -50.6695 -50.6695 -24.9963 -24.9961 -24.9961 -24.9958 -17.3237 -17.3232 -17.2968 -17.2945 -17.2782 -17.2775 -17.2507 -17.2506 -3.6659 -3.6658 -3.5759 -3.5749 -3.2289 -3.2287 -3.1362 -3.1354 -3.1193 -3.1174 0.4700 0.4777 1.0182 1.0183 2.7991 2.8124 4.2306 4.2528 6.5789 6.6262 7.0775 7.1508 8.3464 8.3560 9.4704 9.4978 9.6044 9.6381 9.8817 9.8958 10.2181 10.2616 10.7912 10.8276 11.2952 11.2984 12.3911 12.4430 12.5780 12.5797 13.5586 13.5991 13.6608 13.6955 13.8005 13.9395 k = 0.0000 0.3537 0.2260 ( 4972 PWs) bands (ev): -50.6695 -50.6695 -50.6694 -50.6694 -24.9966 -24.9964 -24.9963 -24.9960 -17.3251 -17.3247 -17.2975 -17.2953 -17.2787 -17.2779 -17.2506 -17.2505 -3.6662 -3.6662 -3.5754 -3.5745 -3.2293 -3.2291 -3.1364 -3.1356 -3.1182 -3.1164 0.5326 0.5401 1.0912 1.0914 2.7644 2.7779 4.1024 4.1245 6.5534 6.5983 7.1279 7.2033 8.2564 8.2580 9.4304 9.4574 9.6109 9.6340 9.8995 9.9073 10.2355 10.2810 10.7862 10.8273 11.2643 11.2716 12.4730 12.5213 12.5702 12.5720 13.5826 13.6254 13.7003 13.7351 13.7866 13.9305 k = 0.0000 0.3659 0.2260 ( 4962 PWs) bands (ev): -50.6695 -50.6695 -50.6694 -50.6694 -24.9967 -24.9965 -24.9965 -24.9962 -17.3264 -17.3259 -17.2982 -17.2962 -17.2790 -17.2783 -17.2504 -17.2503 -3.6666 -3.6666 -3.5749 -3.5740 -3.2297 -3.2294 -3.1365 -3.1357 -3.1171 -3.1154 0.5952 0.6024 1.1658 1.1660 2.7246 2.7382 3.9791 4.0008 6.5358 6.5794 7.1747 7.2544 8.1641 8.1712 9.3810 9.4056 9.6192 9.6360 9.9141 9.9179 10.2550 10.3030 10.7884 10.8358 11.2326 11.2447 12.5196 12.5308 12.5948 12.6335 13.5890 13.6305 13.7448 13.7459 13.8277 13.9396 k = 0.0000 0.3780 0.2260 ( 4958 PWs) bands (ev): -50.6694 -50.6694 -50.6694 -50.6694 -24.9969 -24.9967 -24.9966 -24.9964 -17.3276 -17.3272 -17.2989 -17.2970 -17.2792 -17.2786 -17.2503 -17.2502 -3.6669 -3.6669 -3.5745 -3.5737 -3.2300 -3.2298 -3.1366 -3.1359 -3.1161 -3.1146 0.6574 0.6643 1.2418 1.2421 2.6799 2.6935 3.8613 3.8824 6.5265 6.5696 7.2156 7.3011 8.0769 8.0934 9.3258 9.3476 9.6275 9.6403 9.9248 9.9263 10.2765 10.3272 10.7969 10.8523 11.2004 11.2187 12.5073 12.5088 12.6759 12.7241 13.5814 13.6120 13.7744 13.7928 13.8794 13.9649 k = 0.0000 0.3902 0.2260 ( 4964 PWs) bands (ev): -50.6694 -50.6694 -50.6693 -50.6693 -24.9971 -24.9970 -24.9968 -24.9966 -17.3287 -17.3283 -17.2997 -17.2979 -17.2794 -17.2788 -17.2502 -17.2501 -3.6673 -3.6673 -3.5741 -3.5734 -3.2304 -3.2302 -3.1367 -3.1361 -3.1152 -3.1138 0.7186 0.7250 1.3191 1.3194 2.6306 2.6438 3.7496 3.7699 6.5256 6.5685 7.2472 7.3395 8.0001 8.0263 9.2670 9.2862 9.6354 9.6454 9.9314 9.9319 10.2999 10.3530 10.8103 10.8754 11.1686 11.1948 12.4799 12.4807 12.7677 12.8185 13.5669 13.5877 13.8119 13.8388 13.9311 14.0036 k = 0.0000 0.4024 0.2260 ( 4960 PWs) bands (ev): -50.6694 -50.6694 -50.6693 -50.6693 -24.9972 -24.9971 -24.9970 -24.9968 -17.3298 -17.3294 -17.3004 -17.2988 -17.2795 -17.2790 -17.2500 -17.2500 -3.6676 -3.6675 -3.5737 -3.5731 -3.2307 -3.2305 -3.1368 -3.1362 -3.1143 -3.1130 0.7779 0.7839 1.3975 1.3978 2.5768 2.5896 3.6449 3.6641 6.5329 6.5759 7.2657 7.3642 7.9391 7.9739 9.2065 9.2233 9.6428 9.6509 9.9342 9.9343 10.3251 10.3800 10.8257 10.9024 11.1390 11.1750 12.4460 12.4477 12.8620 12.9145 13.5513 13.5671 13.8468 13.8762 13.9824 14.0550 k = 0.0000 0.4146 0.2260 ( 4966 PWs) bands (ev): -50.6693 -50.6693 -50.6693 -50.6693 -24.9974 -24.9973 -24.9971 -24.9969 -17.3307 -17.3304 -17.3010 -17.2996 -17.2796 -17.2791 -17.2499 -17.2499 -3.6678 -3.6678 -3.5734 -3.5728 -3.2309 -3.2308 -3.1369 -3.1364 -3.1136 -3.1124 0.8346 0.8401 1.4768 1.4769 2.5190 2.5312 3.5481 3.5659 6.5479 6.5911 7.2677 7.3690 7.8997 7.9396 9.1457 9.1604 9.6497 9.6563 9.9337 9.9339 10.3520 10.4077 10.8397 10.9282 11.1152 11.1618 12.4079 12.4100 12.9570 13.0115 13.5377 13.5528 13.8721 13.9007 14.0338 14.1170 k = 0.0000 0.4268 0.2260 ( 4972 PWs) bands (ev): -50.6693 -50.6693 -50.6693 -50.6693 -24.9976 -24.9975 -24.9973 -24.9971 -17.3315 -17.3313 -17.3016 -17.3004 -17.2797 -17.2792 -17.2499 -17.2498 -3.6681 -3.6681 -3.5732 -3.5726 -3.2312 -3.2311 -3.1369 -3.1365 -3.1129 -3.1119 0.8877 0.8925 1.5567 1.5568 2.4576 2.4689 3.4603 3.4764 6.5700 6.6134 7.2521 7.3505 7.8850 7.9244 9.0865 9.0991 9.6561 9.6615 9.9308 9.9312 10.3802 10.4354 10.8487 10.9443 11.1042 11.1576 12.3670 12.3691 13.0515 13.1085 13.5271 13.5458 13.8837 13.9109 14.0825 14.1707 k = 0.0000 0.4390 0.2260 ( 4968 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9977 -24.9976 -24.9974 -24.9972 -17.3322 -17.3320 -17.3021 -17.3011 -17.2797 -17.2793 -17.2498 -17.2497 -3.6683 -3.6682 -3.5729 -3.5725 -3.2313 -3.2312 -3.1370 -3.1366 -3.1123 -3.1114 0.9359 0.9401 1.6369 1.6372 2.3929 2.4032 3.3827 3.3967 6.5983 6.6415 7.2212 7.3117 7.8915 7.9256 9.0303 9.0410 9.6620 9.6663 9.9264 9.9269 10.4091 10.4622 10.8505 10.9425 11.1126 11.1633 12.3253 12.3271 13.1441 13.2050 13.5196 13.5462 13.8800 13.9069 14.1188 14.1533 k = 0.0000 0.4512 0.2260 ( 4964 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9977 -24.9977 -24.9974 -24.9973 -17.3328 -17.3326 -17.3024 -17.3016 -17.2796 -17.2793 -17.2497 -17.2497 -3.6684 -3.6684 -3.5727 -3.5723 -3.2315 -3.2314 -3.1370 -3.1367 -3.1117 -3.1111 0.9781 0.9815 1.7170 1.7178 2.3253 2.3345 3.3166 3.3283 6.6317 6.6739 7.1805 7.2602 7.9113 7.9379 8.9794 8.9881 9.6673 9.6707 9.9214 9.9220 10.4379 10.4868 10.8460 10.9254 11.1362 11.1767 12.2851 12.2865 13.2327 13.3000 13.5142 13.5541 13.8611 13.8883 14.1263 14.1308 k = 0.0000 0.4634 0.2260 ( 4968 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9974 -17.3332 -17.3331 -17.3027 -17.3021 -17.2796 -17.2794 -17.2496 -17.2496 -3.6686 -3.6686 -3.5725 -3.5722 -3.2317 -3.2316 -3.1370 -3.1368 -3.1113 -3.1108 1.0128 1.0155 1.7970 1.7984 2.2551 2.2631 3.2636 3.2727 6.6683 6.7079 7.1368 7.2037 7.9360 7.9550 8.9359 8.9425 9.6718 9.6743 9.9166 9.9171 10.4655 10.5074 10.8386 10.9016 11.1648 11.1936 12.2492 12.2501 13.3139 13.3915 13.5104 13.5709 13.8277 13.8554 14.1039 14.1223 k = 0.0000 0.4756 0.2260 ( 4956 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9974 -17.3335 -17.3334 -17.3029 -17.3024 -17.2796 -17.2794 -17.2496 -17.2495 -3.6686 -3.6686 -3.5723 -3.5722 -3.2317 -3.2316 -3.1370 -3.1368 -3.1110 -3.1106 1.0389 1.0407 1.8763 1.8785 2.1828 2.1894 3.2250 3.2312 6.7054 6.7385 7.0983 7.1492 7.9592 7.9713 8.9024 8.9069 9.6753 9.6770 9.9127 9.9131 10.4903 10.5218 10.8327 10.8771 11.1908 11.2091 12.2205 12.2211 13.3825 13.4692 13.5152 13.5991 13.7808 13.8097 14.0890 14.1069 k = 0.0000 0.4878 0.2260 ( 4960 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3336 -17.3030 -17.3027 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5722 -3.5722 -3.2317 -3.2317 -3.1369 -3.1369 -3.1108 -3.1106 1.0552 1.0562 1.9548 1.9579 2.1085 2.1139 3.2019 3.2051 6.7379 6.7581 7.0749 7.1037 7.9762 7.9821 8.8815 8.8838 9.6777 9.6785 9.9101 9.9104 10.5105 10.5276 10.8324 10.8556 11.2100 11.2188 12.2019 12.2022 13.4330 13.4816 13.5763 13.6413 13.7220 13.7549 14.0824 14.0928 k = 0.0000 0.5000 0.2260 ( 4956 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3029 -17.3029 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5722 -3.5722 -3.2317 -3.2317 -3.1369 -3.1369 -3.1106 -3.1106 1.0611 1.0611 2.0293 2.0293 2.0397 2.0397 3.1952 3.1952 6.7581 6.7581 7.0763 7.0763 7.9842 7.9842 8.8751 8.8751 9.6788 9.6788 9.9093 9.9093 10.5236 10.5236 10.8400 10.8400 11.2195 11.2195 12.1956 12.1956 13.4648 13.4648 13.6515 13.6515 13.6970 13.6970 14.0839 14.0839 k = 0.0000 0.5000 0.2260 ( 4956 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3029 -17.3029 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5722 -3.5722 -3.2317 -3.2317 -3.1369 -3.1369 -3.1106 -3.1106 1.0611 1.0611 2.0293 2.0293 2.0397 2.0397 3.1952 3.1952 6.7581 6.7581 7.0763 7.0763 7.9842 7.9842 8.8751 8.8751 9.6788 9.6788 9.9093 9.9093 10.5236 10.5236 10.8400 10.8400 11.2195 11.2195 12.1956 12.1956 13.4648 13.4648 13.6515 13.6515 13.6970 13.6970 14.0839 14.0839 k = 0.0122 0.5000 0.2260 ( 4964 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9979 -24.9978 -24.9976 -24.9975 -17.3338 -17.3337 -17.3029 -17.3029 -17.2796 -17.2796 -17.2497 -17.2495 -3.6688 -3.6688 -3.5722 -3.5722 -3.2318 -3.2318 -3.1370 -3.1369 -3.1106 -3.1106 1.0616 1.0634 2.0299 2.0302 2.0402 2.0407 3.1959 3.1976 6.7583 6.7599 7.0764 7.0777 7.9770 7.9902 8.8675 8.8818 9.6642 9.6851 9.8966 9.9180 10.4863 10.5496 10.8290 10.8400 11.1750 11.2555 12.1700 12.1996 13.4374 13.4905 13.6542 13.6628 13.6896 13.7090 14.0567 14.0920 k = 0.0244 0.5000 0.2260 ( 4968 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9980 -24.9979 -24.9976 -24.9976 -17.3338 -17.3336 -17.3029 -17.3028 -17.2798 -17.2798 -17.2501 -17.2496 -3.6689 -3.6689 -3.5722 -3.5721 -3.2320 -3.2319 -3.1370 -3.1368 -3.1106 -3.1105 1.0650 1.0686 2.0320 2.0327 2.0421 2.0432 3.1995 3.2031 6.7607 6.7639 7.0781 7.0805 7.9688 7.9952 8.8591 8.8877 9.6414 9.6834 9.8798 9.9226 10.4390 10.5623 10.8071 10.8287 11.1249 11.2812 12.1248 12.1829 13.4071 13.5119 13.6716 13.6820 13.6925 13.7265 14.0134 14.0805 k = 0.0366 0.5000 0.2260 ( 4964 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9980 -24.9978 -24.9977 -24.9976 -17.3337 -17.3335 -17.3028 -17.3027 -17.2802 -17.2801 -17.2505 -17.2497 -3.6691 -3.6691 -3.5721 -3.5720 -3.2322 -3.2320 -3.1371 -3.1368 -3.1106 -3.1104 1.0712 1.0765 2.0357 2.0366 2.0455 2.0471 3.2062 3.2115 6.7652 6.7698 7.0812 7.0847 7.9595 7.9993 8.8500 8.8928 9.6102 9.6737 9.8593 9.9233 10.3828 10.5591 10.7744 10.8061 11.0729 11.2962 12.0631 12.1480 13.3723 13.5211 13.6965 13.7022 13.7221 13.7503 13.9596 14.0519 k = 0.0488 0.5000 0.2260 ( 4972 PWs) bands (ev): -50.6692 -50.6692 -50.6692 -50.6692 -24.9982 -24.9979 -24.9978 -24.9977 -17.3337 -17.3334 -17.3027 -17.3026 -17.2807 -17.2806 -17.2511 -17.2501 -3.6694 -3.6694 -3.5721 -3.5720 -3.2325 -3.2322 -3.1372 -3.1368 -3.1105 -3.1103 1.0802 1.0873 2.0409 2.0422 2.0503 2.0524 3.2159 3.2230 6.7715 6.7777 7.0857 7.0902 7.9492 8.0024 8.8403 8.8968 9.5708 9.6565 9.8354 9.9201 10.3185 10.5367 10.7306 10.7729 11.0232 11.3007 11.9893 12.0989 13.3332 13.5122 13.7243 13.7410 13.7622 13.7770 13.9055 14.0101 k = 0.0610 0.5000 0.2260 ( 4976 PWs) bands (ev): -50.6692 -50.6692 -50.6692 -50.6692 -24.9983 -24.9980 -24.9979 -24.9978 -17.3336 -17.3332 -17.3025 -17.3024 -17.2814 -17.2813 -17.2518 -17.2506 -3.6698 -3.6697 -3.5720 -3.5718 -3.2329 -3.2326 -3.1372 -3.1367 -3.1104 -3.1101 1.0920 1.1009 2.0477 2.0492 2.0565 2.0592 3.2287 3.2374 6.7796 6.7873 7.0914 7.0967 7.9378 8.0046 8.8301 8.8999 9.5234 9.6319 9.8083 9.9134 10.2474 10.4927 10.6757 10.7300 10.9784 11.2954 11.9076 12.0394 13.2909 13.4882 13.7635 13.7636 13.8016 13.8074 13.8800 13.9600 k = 0.0732 0.5000 0.2260 ( 4972 PWs) bands (ev): -50.6692 -50.6692 -50.6692 -50.6691 -24.9984 -24.9980 -24.9980 -24.9979 -17.3335 -17.3330 -17.3023 -17.3022 -17.2822 -17.2820 -17.2526 -17.2511 -3.6702 -3.6702 -3.5719 -3.5717 -3.2333 -3.2329 -3.1373 -3.1367 -3.1103 -3.1099 1.1066 1.1173 2.0559 2.0576 2.0642 2.0675 3.2445 3.2550 6.7893 6.7984 7.0983 7.1040 7.9254 8.0060 8.8194 8.9020 9.4681 9.6001 9.7787 9.9034 10.1704 10.4280 10.6096 10.6780 10.9392 11.2814 11.8217 11.9731 13.2476 13.4558 13.7223 13.8054 13.8466 13.8551 13.9062 13.9074 k = 0.0854 0.5000 0.2260 ( 4972 PWs) bands (ev): -50.6692 -50.6692 -50.6691 -50.6691 -24.9986 -24.9981 -24.9981 -24.9980 -17.3334 -17.3328 -17.3021 -17.3019 -17.2830 -17.2829 -17.2535 -17.2518 -3.6707 -3.6707 -3.5718 -3.5715 -3.2338 -3.2333 -3.1373 -3.1367 -3.1101 -3.1097 1.1240 1.1363 2.0656 2.0675 2.0732 2.0771 3.2633 3.2755 6.8003 6.8107 7.1061 7.1119 7.9122 8.0066 8.8084 8.9029 9.4051 9.5612 9.7471 9.8906 10.0890 10.3467 10.5325 10.6154 10.9044 11.2597 11.7346 11.9029 13.2051 13.4197 13.6629 13.8245 13.8764 13.8966 13.9039 13.9513 k = 0.0976 0.5000 0.2260 ( 4972 PWs) bands (ev): -50.6692 -50.6692 -50.6691 -50.6691 -24.9987 -24.9983 -24.9982 -24.9981 -17.3332 -17.3326 -17.3018 -17.3017 -17.2841 -17.2839 -17.2545 -17.2525 -3.6713 -3.6712 -3.5717 -3.5713 -3.2344 -3.2338 -3.1374 -3.1366 -3.1099 -3.1094 1.1441 1.1581 2.0768 2.0788 2.0836 2.0880 3.2851 3.2990 6.8122 6.8237 7.1145 7.1201 7.8983 8.0067 8.7973 8.9027 9.3348 9.5151 9.7140 9.8753 10.0045 10.2547 10.4449 10.5409 10.8723 11.2313 11.6486 11.8306 13.1651 13.3832 13.6033 13.7825 13.9057 13.9460 13.9514 14.0003 k = 0.1098 0.5000 0.2260 ( 4960 PWs) bands (ev): -50.6691 -50.6691 -50.6691 -50.6691 -24.9988 -24.9984 -24.9983 -24.9982 -17.3330 -17.3323 -17.3015 -17.3013 -17.2851 -17.2849 -17.2556 -17.2534 -3.6719 -3.6719 -3.5715 -3.5711 -3.2349 -3.2343 -3.1373 -3.1365 -3.1097 -3.1091 1.1668 1.1825 2.0893 2.0915 2.0953 2.1003 3.3101 3.3256 6.8246 6.8370 7.1233 7.1281 7.8840 8.0064 8.7863 8.9011 9.2572 9.4614 9.6803 9.8578 9.9187 10.1573 10.3473 10.4543 10.8407 11.1971 11.5650 11.7575 13.1292 13.3484 13.5481 13.7324 13.9425 13.9930 13.9969 14.0492 k = 0.1220 0.5000 0.2260 ( 4964 PWs) bands (ev): -50.6691 -50.6691 -50.6690 -50.6690 -24.9991 -24.9986 -24.9985 -24.9984 -17.3329 -17.3321 -17.3012 -17.3010 -17.2864 -17.2861 -17.2568 -17.2544 -3.6727 -3.6726 -3.5713 -3.5709 -3.2356 -3.2349 -3.1374 -3.1365 -3.1094 -3.1088 1.1922 1.2094 2.1033 2.1054 2.1082 2.1139 3.3380 3.3552 6.8371 6.8500 7.1321 7.1356 7.8695 8.0058 8.7756 8.8981 9.1728 9.3996 9.6464 9.8330 9.8385 10.0590 10.2409 10.3562 10.8082 11.1578 11.4846 11.6844 13.0982 13.3170 13.4988 13.6856 13.9764 14.0363 14.0395 14.0962 k = 0.1341 0.5000 0.2260 ( 4976 PWs) bands (ev): -50.6691 -50.6691 -50.6690 -50.6690 -24.9993 -24.9988 -24.9987 -24.9986 -17.3327 -17.3319 -17.3009 -17.3007 -17.2878 -17.2875 -17.2581 -17.2555 -3.6735 -3.6734 -3.5711 -3.5707 -3.2363 -3.2356 -3.1374 -3.1364 -3.1092 -3.1085 1.2202 1.2389 2.1185 2.1206 2.1224 2.1288 3.3690 3.3878 6.8489 6.8619 7.1404 7.1422 7.8553 8.0053 8.7653 8.8934 9.0820 9.3293 9.6128 9.7494 9.8176 9.9638 10.1268 10.2484 10.7734 11.1140 11.4074 11.6118 13.0730 13.2902 13.4564 13.6441 14.0065 14.0755 14.0787 14.1403 k = 0.1463 0.5000 0.2260 ( 4972 PWs) bands (ev): -50.6690 -50.6690 -50.6690 -50.6690 -24.9995 -24.9990 -24.9988 -24.9988 -17.3325 -17.3316 -17.3005 -17.3003 -17.2891 -17.2888 -17.2594 -17.2567 -3.6743 -3.6743 -3.5709 -3.5704 -3.2370 -3.2362 -3.1374 -3.1364 -3.1089 -3.1081 1.2506 1.2708 2.1350 2.1369 2.1377 2.1450 3.4030 3.4234 6.8596 6.8718 7.1474 7.1480 7.8419 8.0050 8.7556 8.8867 8.9855 9.2500 9.5794 9.6700 9.7947 9.8745 10.0064 10.1333 10.7360 11.0664 11.3331 11.5396 13.0539 13.2687 13.4212 13.6087 14.0328 14.1105 14.1144 14.1811 k = 0.1585 0.5000 0.2260 ( 4972 PWs) bands (ev): -50.6690 -50.6690 -50.6690 -50.6689 -24.9997 -24.9992 -24.9990 -24.9990 -17.3322 -17.3313 -17.3002 -17.3000 -17.2906 -17.2903 -17.2608 -17.2579 -3.6752 -3.6751 -3.5707 -3.5702 -3.2378 -3.2369 -3.1374 -3.1363 -3.1086 -3.1078 1.2835 1.3052 2.1527 2.1542 2.1542 2.1624 3.4401 3.4621 6.8682 6.8789 7.1508 7.1543 7.8297 8.0053 8.7465 8.8748 8.8870 9.1621 9.5429 9.5998 9.7686 9.7933 9.8814 10.0145 10.6955 11.0154 11.2613 11.4679 13.0411 13.2530 13.3935 13.5798 14.0558 14.1417 14.1465 14.2183 k = 0.1707 0.5000 0.2260 ( 4964 PWs) bands (ev): -50.6690 -50.6690 -50.6689 -50.6689 -24.9999 -24.9994 -24.9992 -24.9992 -17.3320 -17.3310 -17.2998 -17.2996 -17.2921 -17.2917 -17.2623 -17.2592 -3.6762 -3.6761 -3.5704 -3.5699 -3.2385 -3.2376 -3.1373 -3.1362 -3.1082 -3.1074 1.3188 1.3418 2.1712 2.1720 2.1725 2.1809 3.4802 3.5037 6.8740 6.8821 7.1519 7.1587 7.8194 8.0064 8.7373 8.7774 8.8670 9.0670 9.4929 9.5508 9.7204 9.7346 9.7537 9.9000 10.6520 10.9617 11.1914 11.3968 13.0347 13.2433 13.3730 13.5575 14.0758 14.1692 14.1752 14.2520 k = 0.1829 0.5000 0.2260 ( 4976 PWs) bands (ev): -50.6689 -50.6689 -50.6689 -50.6689 -25.0002 -24.9997 -24.9995 -24.9994 -17.3318 -17.3307 -17.2996 -17.2993 -17.2936 -17.2933 -17.2638 -17.2607 -3.6773 -3.6772 -3.5702 -3.5697 -3.2394 -3.2384 -3.1373 -3.1361 -3.1078 -3.1070 1.3564 1.3806 2.1898 2.1917 2.1918 2.2006 3.5234 3.5483 6.8760 6.8803 7.1503 7.1609 7.8112 8.0085 8.6691 8.7265 8.8514 8.9678 9.4315 9.5218 9.6257 9.6573 9.6727 9.8107 10.6057 10.9058 11.1232 11.3263 13.0345 13.2397 13.3595 13.5418 14.0930 14.1935 14.2006 14.2820 k = 0.1951 0.5000 0.2260 ( 4972 PWs) bands (ev): -50.6689 -50.6689 -50.6688 -50.6688 -25.0004 -24.9999 -24.9997 -24.9996 -17.3315 -17.3304 -17.2994 -17.2992 -17.2950 -17.2946 -17.2654 -17.2621 -3.6783 -3.6782 -3.5700 -3.5694 -3.2402 -3.2392 -3.1372 -3.1360 -3.1074 -3.1066 1.3961 1.4215 2.2091 2.2116 2.2127 2.2214 3.5696 3.5960 6.8728 6.8735 7.1456 7.1603 7.8055 8.0114 8.5598 8.7092 8.8302 8.8707 9.3704 9.4940 9.5086 9.5714 9.6024 9.7623 10.5567 10.8481 11.0562 11.2562 13.0402 13.2422 13.3527 13.5323 14.1076 14.2149 14.2228 14.3085 k = 0.2073 0.5000 0.2260 ( 4968 PWs) bands (ev): -50.6688 -50.6688 -50.6688 -50.6688 -25.0007 -25.0002 -24.9999 -24.9998 -17.3312 -17.3301 -17.2997 -17.2994 -17.2959 -17.2956 -17.2669 -17.2635 -3.6794 -3.6793 -3.5697 -3.5691 -3.2410 -3.2399 -3.1372 -3.1359 -3.1070 -3.1061 1.4379 1.4644 2.2292 2.2323 2.2346 2.2431 3.6188 3.6466 6.8588 6.8655 7.1375 7.1565 7.8018 8.0139 8.4521 8.6706 8.7911 8.8002 9.3130 9.3815 9.4546 9.4899 9.5551 9.7344 10.5056 10.7892 10.9903 11.1869 13.0517 13.2505 13.3521 13.5288 14.1196 14.2335 14.2418 14.3314 k = 0.2195 0.5000 0.2260 ( 4972 PWs) bands (ev): -50.6688 -50.6688 -50.6688 -50.6687 -25.0009 -25.0004 -25.0002 -25.0001 -17.3310 -17.3298 -17.3005 -17.3004 -17.2963 -17.2961 -17.2685 -17.2651 -3.6805 -3.6804 -3.5694 -3.5688 -3.2418 -3.2407 -3.1371 -3.1358 -3.1066 -3.1057 1.4816 1.5092 2.2501 2.2535 2.2573 2.2657 3.6711 3.7002 6.8378 6.8514 7.1256 7.1492 7.7992 8.0128 8.3509 8.5960 8.7425 8.7563 9.2559 9.2822 9.3411 9.4816 9.5147 9.7140 10.4527 10.7295 10.9255 11.1183 13.0685 13.2644 13.3573 13.5308 14.1288 14.2493 14.2576 14.3503 k = 0.2317 0.5000 0.2260 ( 4964 PWs) bands (ev): -50.6687 -50.6687 -50.6687 -50.6687 -25.0011 -25.0007 -25.0004 -25.0003 -17.3307 -17.3295 -17.3019 -17.3018 -17.2961 -17.2960 -17.2701 -17.2665 -3.6817 -3.6816 -3.5691 -3.5685 -3.2425 -3.2415 -3.1369 -3.1356 -3.1062 -3.1052 1.5272 1.5557 2.2715 2.2753 2.2807 2.2890 3.7264 3.7568 6.8100 6.8307 7.1097 7.1380 7.7955 7.9991 8.2661 8.5049 8.6926 8.7022 9.1844 9.2232 9.2425 9.4788 9.4805 9.6974 10.3984 10.6696 10.8618 11.0506 13.0902 13.2836 13.3677 13.5379 14.1350 14.2622 14.2698 14.3646 k = 0.2439 0.5000 0.2260 ( 4964 PWs) bands (ev): -50.6687 -50.6687 -50.6687 -50.6687 -25.0014 -25.0009 -25.0007 -25.0005 -17.3305 -17.3292 -17.3035 -17.3034 -17.2958 -17.2958 -17.2716 -17.2681 -3.6829 -3.6828 -3.5689 -3.5682 -3.2433 -3.2423 -3.1368 -3.1355 -3.1057 -3.1047 1.5745 1.6039 2.2934 2.2975 2.3046 2.3129 3.7846 3.8163 6.7755 6.8031 7.0898 7.1227 7.7870 7.9574 8.2143 8.4162 8.6059 8.6474 9.1252 9.1691 9.1820 9.4520 9.4812 9.6835 10.3432 10.6096 10.7993 10.9840 13.1166 13.3076 13.3827 13.5495 14.1375 14.2717 14.2780 14.3727 k = 0.2561 0.5000 0.2260 ( 4968 PWs) bands (ev): -50.6686 -50.6686 -50.6686 -50.6686 -25.0017 -25.0012 -25.0010 -25.0008 -17.3302 -17.3290 -17.3053 -17.3052 -17.2954 -17.2954 -17.2732 -17.2696 -3.6841 -3.6840 -3.5686 -3.5679 -3.2441 -3.2430 -3.1366 -3.1353 -3.1052 -3.1043 1.6234 1.6534 2.3158 2.3201 2.3291 2.3373 3.8459 3.8788 6.7348 6.7687 7.0660 7.1034 7.7689 7.8834 8.1998 8.3384 8.4992 8.5703 9.0873 9.1267 9.1480 9.4289 9.4887 9.6720 10.2875 10.5502 10.7383 10.9187 13.1471 13.3362 13.4019 13.5650 14.1358 14.2771 14.2814 14.3726 k = 0.2683 0.5000 0.2260 ( 4968 PWs) bands (ev): -50.6686 -50.6686 -50.6686 -50.6686 -25.0019 -25.0015 -25.0012 -25.0011 -17.3300 -17.3288 -17.3071 -17.3069 -17.2949 -17.2949 -17.2747 -17.2711 -3.6854 -3.6852 -3.5683 -3.5677 -3.2449 -3.2438 -3.1364 -3.1352 -3.1048 -3.1038 1.6736 1.7042 2.3385 2.3429 2.3538 2.3620 3.9102 3.9443 6.6885 6.7276 7.0385 7.0801 7.7356 7.7913 8.2069 8.2747 8.3807 8.4767 9.0659 9.1121 9.1200 9.4109 9.5012 9.6627 10.2316 10.4916 10.6790 10.8549 13.1815 13.3688 13.4245 13.5834 14.1288 14.2770 14.2793 14.3612 k = 0.2805 0.5000 0.2260 ( 4984 PWs) bands (ev): -50.6686 -50.6686 -50.6685 -50.6685 -25.0022 -25.0018 -25.0016 -25.0014 -17.3298 -17.3286 -17.3090 -17.3088 -17.2945 -17.2945 -17.2762 -17.2727 -3.6867 -3.6866 -3.5681 -3.5674 -3.2457 -3.2447 -3.1363 -3.1351 -3.1043 -3.1033 1.7250 1.7561 2.3613 2.3659 2.3787 2.3869 3.9774 4.0126 6.6374 6.6803 7.0074 7.0530 7.6848 7.6932 8.2015 8.2162 8.2785 8.3859 9.0560 9.0979 9.1174 9.3978 9.5186 9.6558 10.1761 10.4342 10.6217 10.7927 13.2192 13.4049 13.4498 13.6039 14.1156 14.2693 14.2709 14.3365 k = 0.2927 0.5000 0.2260 ( 4988 PWs) bands (ev): -50.6685 -50.6685 -50.6685 -50.6685 -25.0025 -25.0021 -25.0018 -25.0017 -17.3297 -17.3284 -17.3108 -17.3106 -17.2940 -17.2940 -17.2777 -17.2742 -3.6879 -3.6878 -3.5678 -3.5671 -3.2465 -3.2454 -3.1362 -3.1349 -3.1038 -3.1029 1.7774 1.8088 2.3841 2.3888 2.4035 2.4117 4.0475 4.0838 6.5822 6.6273 6.9733 7.0223 7.5947 7.6185 8.0958 8.1350 8.2787 8.3304 9.0539 9.0816 9.1356 9.3895 9.5406 9.6511 10.1212 10.3782 10.5667 10.7324 13.2599 13.4439 13.4770 13.6253 14.0952 14.2495 14.2558 14.3008 k = 0.3049 0.5000 0.2260 ( 4988 PWs) bands (ev): -50.6685 -50.6685 -50.6685 -50.6685 -25.0027 -25.0023 -25.0021 -25.0019 -17.3295 -17.3282 -17.3125 -17.3124 -17.2935 -17.2935 -17.2790 -17.2757 -3.6891 -3.6890 -3.5675 -3.5669 -3.2472 -3.2461 -3.1360 -3.1348 -3.1033 -3.1024 1.8306 1.8622 2.4069 2.4115 2.4282 2.4363 4.1206 4.1579 6.5238 6.5696 6.9363 6.9882 7.4984 7.5415 7.9616 8.0228 8.3093 8.3180 9.0565 9.0714 9.1616 9.3860 9.5669 9.6489 10.0674 10.3240 10.5145 10.6743 13.3030 13.4850 13.5049 13.6458 14.0671 14.2098 14.2344 14.2626 k = 0.3171 0.5000 0.2260 ( 4992 PWs) bands (ev): -50.6684 -50.6684 -50.6684 -50.6684 -25.0030 -25.0026 -25.0024 -25.0022 -17.3293 -17.3281 -17.3142 -17.3141 -17.2931 -17.2931 -17.2803 -17.2771 -3.6903 -3.6902 -3.5673 -3.5666 -3.2478 -3.2468 -3.1358 -3.1346 -3.1029 -3.1019 1.8843 1.9159 2.4294 2.4340 2.4524 2.4605 4.1966 4.2348 6.4628 6.5078 6.8968 6.9511 7.4056 7.4590 7.8244 7.8963 8.3294 8.3449 9.0595 9.0701 9.1917 9.3873 9.5971 9.6493 10.0150 10.2718 10.4654 10.6185 13.3478 13.5267 13.5322 13.6632 14.0318 14.1508 14.2087 14.2248 k = 0.3293 0.5000 0.2260 ( 4988 PWs) bands (ev): -50.6684 -50.6684 -50.6684 -50.6684 -25.0032 -25.0028 -25.0026 -25.0024 -17.3292 -17.3280 -17.3158 -17.3157 -17.2927 -17.2927 -17.2815 -17.2784 -3.6914 -3.6913 -3.5670 -3.5664 -3.2484 -3.2474 -3.1356 -3.1345 -3.1024 -3.1015 1.9382 1.9697 2.4516 2.4561 2.4761 2.4841 4.2755 4.3146 6.4001 6.4430 6.8549 6.9109 7.3174 7.3749 7.6876 7.7653 8.3527 8.3823 9.0607 9.0786 9.2232 9.3932 9.6307 9.6523 9.9646 10.2219 10.4201 10.5654 13.3935 13.5568 13.5670 13.6746 13.9915 14.0816 14.1818 14.1839 k = 0.3415 0.5000 0.2260 ( 4988 PWs) bands (ev): -50.6684 -50.6684 -50.6683 -50.6683 -25.0034 -25.0030 -25.0028 -25.0026 -17.3291 -17.3280 -17.3173 -17.3173 -17.2922 -17.2922 -17.2826 -17.2797 -3.6925 -3.6924 -3.5668 -3.5662 -3.2490 -3.2481 -3.1353 -3.1343 -3.1019 -3.1011 1.9921 2.0232 2.4731 2.4776 2.4989 2.5069 4.3572 4.3971 6.3365 6.3761 6.8107 6.8676 7.2343 7.2917 7.5530 7.6342 8.3821 8.4198 9.0651 9.0910 9.2538 9.4036 9.6582 9.6668 9.9165 10.1745 10.3791 10.5154 13.4385 13.5758 13.6013 13.6760 13.9515 14.0092 14.1413 14.1583 k = 0.3537 0.5000 0.2260 ( 4988 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0035 -25.0032 -25.0030 -25.0029 -17.3290 -17.3280 -17.3188 -17.3188 -17.2918 -17.2918 -17.2836 -17.2809 -3.6936 -3.6935 -3.5665 -3.5660 -3.2495 -3.2486 -3.1351 -3.1342 -3.1015 -3.1007 2.0455 2.0761 2.4940 2.4983 2.5206 2.5286 4.4416 4.4823 6.2727 6.3083 6.7638 6.8208 7.1567 7.2113 7.4223 7.5054 8.4145 8.4564 9.0738 9.1054 9.2817 9.4175 9.6668 9.7045 9.8715 10.1299 10.3431 10.4688 13.4801 13.5851 13.6214 13.6643 13.9212 13.9390 14.1022 14.1427 k = 0.3659 0.5000 0.2260 ( 4996 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0038 -25.0035 -25.0033 -25.0031 -17.3289 -17.3280 -17.3202 -17.3202 -17.2915 -17.2914 -17.2846 -17.2820 -3.6946 -3.6946 -3.5663 -3.5658 -3.2500 -3.2492 -3.1350 -3.1341 -3.1011 -3.1003 2.0982 2.1281 2.5141 2.5181 2.5410 2.5490 4.5289 4.5702 6.2096 6.2405 6.7137 6.7693 7.0850 7.1349 7.2975 7.3811 8.4480 8.4912 9.0865 9.1213 9.3062 9.4333 9.6780 9.7425 9.8302 10.0882 10.3131 10.4263 13.5131 13.5805 13.6163 13.6380 13.8787 13.9132 14.0731 14.1378 k = 0.3780 0.5000 0.2260 ( 4992 PWs) bands (ev): -50.6683 -50.6683 -50.6682 -50.6682 -25.0039 -25.0036 -25.0035 -25.0033 -17.3288 -17.3280 -17.3215 -17.3215 -17.2911 -17.2910 -17.2854 -17.2831 -3.6956 -3.6955 -3.5661 -3.5656 -3.2505 -3.2497 -3.1348 -3.1339 -3.1007 -3.0999 2.1498 2.1787 2.5331 2.5369 2.5598 2.5678 4.6188 4.6607 6.1479 6.1739 6.6592 6.7116 7.0196 7.0635 7.1812 7.2634 8.4811 8.5236 9.1028 9.1384 9.3269 9.4487 9.6913 9.7794 9.7940 10.0496 10.2896 10.3886 13.5279 13.5588 13.5839 13.5980 13.8394 13.9315 14.0586 14.1434 k = 0.3902 0.5000 0.2260 ( 4996 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0041 -25.0038 -25.0037 -25.0035 -17.3288 -17.3281 -17.3228 -17.3227 -17.2909 -17.2907 -17.2862 -17.2841 -3.6965 -3.6964 -3.5659 -3.5655 -3.2509 -3.2502 -3.1346 -3.1338 -3.1003 -3.0996 2.1997 2.2275 2.5509 2.5544 2.5768 2.5847 4.7113 4.7538 6.0885 6.1094 6.5987 6.6450 6.9605 6.9976 7.0765 7.1549 8.5129 8.5531 9.1221 9.1564 9.3440 9.4609 9.7059 9.7643 9.8132 10.0143 10.2734 10.3567 13.5152 13.5209 13.5346 13.5471 13.8317 13.9682 14.0596 14.1569 k = 0.4024 0.5000 0.2260 ( 5000 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0042 -25.0040 -25.0038 -25.0037 -17.3287 -17.3281 -17.3239 -17.3238 -17.2906 -17.2903 -17.2868 -17.2850 -3.6973 -3.6972 -3.5657 -3.5653 -3.2513 -3.2506 -3.1344 -3.1337 -3.0999 -3.0993 2.2476 2.2740 2.5675 2.5706 2.5917 2.5996 4.8063 4.8492 6.0323 6.0480 6.5304 6.5676 6.9080 6.9379 6.9864 7.0580 8.5427 8.5795 9.1437 9.1753 9.3574 9.4672 9.7208 9.7428 9.8419 9.9826 10.2648 10.3315 13.4715 13.4778 13.4781 13.4903 13.8534 14.0143 14.0731 14.1748 k = 0.4146 0.5000 0.2260 ( 5008 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0043 -25.0042 -25.0040 -25.0039 -17.3287 -17.3283 -17.3250 -17.3248 -17.2904 -17.2901 -17.2873 -17.2858 -3.6980 -3.6980 -3.5656 -3.5652 -3.2516 -3.2510 -3.1343 -3.1337 -3.0996 -3.0991 2.2929 2.3177 2.5825 2.5853 2.6043 2.6123 4.9038 4.9470 5.9801 5.9907 6.4528 6.4786 6.8619 6.8847 6.9127 6.9748 8.5700 8.6025 9.1667 9.1948 9.3672 9.4660 9.7297 9.7364 9.8632 9.9546 10.2635 10.3140 13.4168 13.4194 13.4286 13.4321 13.8925 14.0641 14.0947 14.1943 k = 0.4268 0.5000 0.2260 ( 5012 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0045 -25.0043 -25.0042 -25.0041 -17.3287 -17.3284 -17.3259 -17.3257 -17.2902 -17.2898 -17.2878 -17.2866 -3.6987 -3.6987 -3.5655 -3.5651 -3.2519 -3.2514 -3.1341 -3.1336 -3.0993 -3.0989 2.3351 2.3579 2.5959 2.5983 2.6145 2.6224 5.0034 5.0469 5.9326 5.9382 6.3658 6.3800 6.8218 6.8382 6.8548 6.9062 8.5945 8.6223 9.1903 9.2149 9.3729 9.4570 9.7279 9.7496 9.8747 9.9311 10.2685 10.3047 13.3622 13.3632 13.3756 13.3759 13.9400 14.1137 14.1208 14.2129 k = 0.4390 0.5000 0.2260 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0044 -25.0043 -25.0042 -17.3286 -17.3285 -17.3266 -17.3264 -17.2901 -17.2896 -17.2881 -17.2872 -3.6992 -3.6992 -3.5653 -3.5650 -3.2521 -3.2517 -3.1340 -3.1335 -3.0991 -3.0987 2.3735 2.3941 2.6075 2.6094 2.6222 2.6300 5.1051 5.1486 5.8905 5.8909 6.2709 6.2751 6.7867 6.7987 6.8115 6.8516 8.6157 8.6387 9.2141 9.2353 9.3744 9.4419 9.7332 9.7629 9.8747 9.9132 10.2780 10.3028 13.3113 13.3119 13.3236 13.3253 13.9909 14.1484 14.1599 14.2288 k = 0.4512 0.5000 0.2260 ( 5012 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0045 -25.0044 -25.0043 -17.3286 -17.3286 -17.3273 -17.3270 -17.2900 -17.2894 -17.2883 -17.2878 -3.6997 -3.6996 -3.5652 -3.5650 -3.2523 -3.2519 -3.1339 -3.1335 -3.0989 -3.0985 2.4076 2.4254 2.6172 2.6187 2.6276 2.6350 5.2082 5.2517 5.8489 5.8543 6.1680 6.1709 6.7567 6.7661 6.7804 6.8095 8.6337 8.6518 9.2375 9.2559 9.3717 9.4226 9.7436 9.7765 9.8644 9.9001 10.2899 10.3063 13.2669 13.2672 13.2783 13.2802 14.0424 14.1754 14.1992 14.2409 k = 0.4634 0.5000 0.2260 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0045 -25.0045 -25.0044 -17.3287 -17.3286 -17.3278 -17.3274 -17.2898 -17.2893 -17.2884 -17.2882 -3.7000 -3.7000 -3.5651 -3.5650 -3.2524 -3.2521 -3.1337 -3.1335 -3.0987 -3.0984 2.4364 2.4509 2.6250 2.6259 2.6309 2.6376 5.3122 5.3553 5.8110 5.8234 6.0635 6.0697 6.7327 6.7402 6.7588 6.7783 8.6482 8.6616 9.2605 9.2762 9.3651 9.4012 9.7569 9.7911 9.8494 9.8876 10.3022 10.3127 13.2306 13.2308 13.2413 13.2429 14.0923 14.2003 14.2268 14.2491 k = 0.4756 0.5000 0.2260 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0045 -25.0045 -17.3288 -17.3286 -17.3281 -17.3277 -17.2897 -17.2892 -17.2885 -17.2885 -3.7003 -3.7003 -3.5650 -3.5649 -3.2524 -3.2523 -3.1337 -3.1335 -3.0985 -3.0983 2.4591 2.4695 2.6307 2.6310 2.6328 2.6382 5.4155 5.4575 5.7729 5.7950 5.9696 5.9742 6.7159 6.7212 6.7447 6.7565 8.6593 8.6681 9.2829 9.2962 9.3549 9.3790 9.7714 9.8069 9.8334 9.8734 10.3128 10.3190 13.2037 13.2037 13.2141 13.2152 14.1385 14.2219 14.2368 14.2556 k = 0.4878 0.5000 0.2260 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0046 -25.0045 -17.3288 -17.3286 -17.3282 -17.3279 -17.2896 -17.2893 -17.2886 -17.2886 -3.7004 -3.7004 -3.5650 -3.5649 -3.2525 -3.2524 -3.1336 -3.1335 -3.0984 -3.0983 2.4746 2.4801 2.6338 2.6339 2.6345 2.6376 5.5136 5.5507 5.7275 5.7577 5.9017 5.9021 6.7063 6.7091 6.7374 6.7429 8.6667 8.6711 9.3045 9.3159 9.3413 9.3569 9.7865 9.8175 9.8236 9.8576 10.3204 10.3232 13.1871 13.1871 13.1975 13.1981 14.1785 14.2296 14.2393 14.2575 k = 0.5000 0.5000 0.2260 ( 5000 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0045 -25.0045 -17.3287 -17.3287 -17.3281 -17.3281 -17.2894 -17.2894 -17.2886 -17.2886 -3.7004 -3.7004 -3.5649 -3.5649 -3.2524 -3.2524 -3.1335 -3.1335 -3.0983 -3.0983 2.4818 2.4818 2.6345 2.6345 2.6365 2.6365 5.5851 5.5851 5.7090 5.7090 5.8772 5.8772 6.7041 6.7041 6.7367 6.7367 8.6707 8.6707 9.3244 9.3244 9.3358 9.3358 9.8018 9.8018 9.8407 9.8407 10.3239 10.3239 13.1815 13.1815 13.1921 13.1921 14.2096 14.2096 14.2516 14.2516 k = 0.5000 0.5000 0.2260 ( 5000 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0045 -25.0045 -17.3287 -17.3287 -17.3281 -17.3281 -17.2894 -17.2894 -17.2886 -17.2886 -3.7004 -3.7004 -3.5649 -3.5649 -3.2524 -3.2524 -3.1335 -3.1335 -3.0983 -3.0983 2.4818 2.4818 2.6345 2.6345 2.6365 2.6365 5.5851 5.5851 5.7090 5.7090 5.8772 5.8772 6.7041 6.7041 6.7367 6.7367 8.6707 8.6707 9.3244 9.3244 9.3358 9.3358 9.8018 9.8018 9.8407 9.8407 10.3239 10.3239 13.1815 13.1815 13.1921 13.1921 14.2096 14.2096 14.2516 14.2516 k = 0.4912 0.4912 0.2260 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0046 -25.0046 -17.3288 -17.3286 -17.3282 -17.3279 -17.2896 -17.2893 -17.2887 -17.2886 -3.7004 -3.7004 -3.5650 -3.5649 -3.2525 -3.2524 -3.1336 -3.1335 -3.0984 -3.0983 2.4744 2.4799 2.6321 2.6328 2.6360 2.6390 5.5131 5.5502 5.7263 5.7557 5.9011 5.9073 6.7061 6.7092 6.7375 6.7432 8.6667 8.6711 9.3046 9.3140 9.3433 9.3566 9.7862 9.8177 9.8232 9.8580 10.3203 10.3231 13.1873 13.1873 13.1978 13.1983 14.1781 14.2275 14.2410 14.2578 k = 0.4825 0.4825 0.2260 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0045 -25.0045 -17.3288 -17.3284 -17.3282 -17.3277 -17.2898 -17.2891 -17.2886 -17.2885 -3.7003 -3.7002 -3.5650 -3.5649 -3.2524 -3.2523 -3.1337 -3.1335 -3.0985 -3.0983 2.4584 2.4688 2.6236 2.6242 2.6400 2.6446 5.4192 5.4611 5.7559 5.7773 5.9782 5.9957 6.7132 6.7193 6.7476 6.7590 8.6590 8.6677 9.2829 9.2904 9.3618 9.3774 9.7714 9.8057 9.8338 9.8750 10.3125 10.3182 13.2045 13.2045 13.2150 13.2159 14.1384 14.2104 14.2457 14.2576 k = 0.4737 0.4737 0.2260 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0044 -25.0044 -17.3287 -17.3282 -17.3281 -17.3274 -17.2899 -17.2889 -17.2886 -17.2883 -3.7000 -3.7000 -3.5651 -3.5650 -3.2524 -3.2521 -3.1337 -3.1335 -3.0987 -3.0984 2.4348 2.4492 2.6092 2.6099 2.6468 2.6524 5.3265 5.3697 5.7636 5.7787 6.0914 6.1153 6.7223 6.7295 6.7710 6.7863 8.6476 8.6606 9.2582 9.2636 9.3807 9.3989 9.7579 9.7887 9.8504 9.8920 10.3012 10.3097 13.2323 13.2325 13.2435 13.2447 14.0931 14.1784 14.2477 14.2523 k = 0.4649 0.4649 0.2260 ( 5018 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0044 -25.0044 -17.3285 -17.3280 -17.3279 -17.3270 -17.2900 -17.2888 -17.2885 -17.2882 -3.6997 -3.6997 -3.5652 -3.5650 -3.2523 -3.2519 -3.1339 -3.1335 -3.0989 -3.0985 2.4041 2.4217 2.5893 2.5899 2.6556 2.6616 5.2395 5.2834 5.7619 5.7739 6.2213 6.2482 6.7328 6.7396 6.8070 6.8249 8.6325 8.6496 9.2294 9.2326 9.4002 9.4214 9.7466 9.7732 9.8675 9.9095 10.2871 10.2983 13.2698 13.2701 13.2826 13.2837 14.0450 14.1390 14.2433 14.2434 k = 0.4561 0.4561 0.2260 ( 5014 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0043 -25.0042 -17.3283 -17.3277 -17.3275 -17.3265 -17.2901 -17.2886 -17.2884 -17.2879 -3.6992 -3.6992 -3.5654 -3.5651 -3.2521 -3.2517 -3.1340 -3.1336 -3.0991 -3.0987 2.3669 2.3872 2.5638 2.5644 2.6659 2.6719 5.1600 5.2044 5.7571 5.7674 6.3602 6.3889 6.7449 6.7514 6.8527 6.8736 8.6135 8.6344 9.1956 9.1964 9.4205 9.4450 9.7383 9.7599 9.8856 9.9278 10.2714 10.2853 13.3154 13.3158 13.3311 13.3319 13.9963 14.0953 14.2318 14.2349 k = 0.4474 0.4474 0.2260 ( 5002 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0044 -25.0043 -25.0041 -25.0040 -17.3279 -17.3274 -17.3269 -17.3259 -17.2901 -17.2884 -17.2882 -17.2875 -3.6986 -3.6985 -3.5655 -3.5651 -3.2518 -3.2513 -3.1341 -3.1336 -3.0994 -3.0989 2.3235 2.3460 2.5331 2.5336 2.6774 2.6831 5.0887 5.1336 5.7523 5.7613 6.5043 6.5347 6.7594 6.7661 6.9061 6.9312 8.5905 8.6150 9.1545 9.1562 9.4415 9.4699 9.7336 9.7498 9.9049 9.9474 10.2554 10.2718 13.3672 13.3673 13.3877 13.3879 13.9494 14.0503 14.2195 14.2244 k = 0.4386 0.4386 0.2260 ( 4992 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0042 -25.0042 -25.0038 -25.0038 -17.3275 -17.3269 -17.3263 -17.3253 -17.2901 -17.2882 -17.2880 -17.2872 -3.6979 -3.6978 -3.5656 -3.5652 -3.2515 -3.2509 -3.1342 -3.1336 -3.0997 -3.0991 2.2741 2.2984 2.4971 2.4976 2.6898 2.6952 5.0262 5.0712 5.7490 5.7571 6.6494 6.6800 6.7780 6.7884 6.9661 6.9974 8.5633 8.5910 9.1067 9.1111 9.4633 9.4957 9.7327 9.7432 9.9258 9.9685 10.2407 10.2593 13.4220 13.4228 13.4495 13.4503 13.9072 14.0072 14.2079 14.2143 k = 0.4298 0.4298 0.2260 ( 5000 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0041 -25.0041 -25.0037 -25.0037 -17.3271 -17.3265 -17.3257 -17.3246 -17.2901 -17.2879 -17.2878 -17.2868 -3.6972 -3.6971 -3.5658 -3.5654 -3.2512 -3.2506 -3.1344 -3.1337 -3.1001 -3.0994 2.2191 2.2449 2.4563 2.4566 2.7031 2.7081 4.9726 5.0176 5.7484 5.7557 6.7680 6.7760 6.8257 6.8662 7.0314 7.0729 8.5320 8.5623 9.0537 9.0606 9.4856 9.5221 9.7354 9.7403 9.9486 9.9916 10.2286 10.2492 13.4755 13.4790 13.5132 13.5160 13.8742 13.9698 14.1992 14.2071 k = 0.4211 0.4211 0.2260 ( 4996 PWs) bands (ev): -50.6682 -50.6682 -50.6682 -50.6682 -25.0039 -25.0039 -25.0035 -25.0035 -17.3266 -17.3259 -17.3250 -17.3238 -17.2901 -17.2877 -17.2876 -17.2864 -3.6963 -3.6963 -3.5660 -3.5655 -3.2508 -3.2501 -3.1346 -3.1338 -3.1005 -3.0997 2.1588 2.1857 2.4107 2.4109 2.7172 2.7218 4.9279 4.9726 5.7513 5.7578 6.8034 6.8060 6.9542 7.0150 7.1018 7.1611 8.4964 8.5288 8.9962 9.0055 9.5083 9.5489 9.7408 9.7411 9.9735 10.0169 10.2206 10.2429 13.5209 13.5312 13.5743 13.5805 13.8585 13.9438 14.1958 14.2056 k = 0.4123 0.4123 0.2260 ( 4994 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0037 -25.0037 -25.0033 -25.0033 -17.3261 -17.3253 -17.3243 -17.3230 -17.2900 -17.2874 -17.2873 -17.2860 -3.6954 -3.6953 -3.5662 -3.5657 -3.2504 -3.2496 -3.1348 -3.1339 -3.1010 -3.1001 2.0936 2.1213 2.3608 2.3609 2.7321 2.7362 4.8918 4.9361 5.7582 5.7640 6.8274 6.8299 7.0835 7.1629 7.1875 7.2686 8.4567 8.4905 8.9354 8.9469 9.5312 9.5756 9.7442 9.7490 10.0007 10.0444 10.2179 10.2414 13.5477 13.5726 13.6278 13.6375 13.8711 13.9378 14.2005 14.2131 k = 0.4035 0.4035 0.2260 ( 4990 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0036 -25.0035 -25.0031 -25.0030 -17.3254 -17.3246 -17.3234 -17.3221 -17.2899 -17.2870 -17.2870 -17.2855 -3.6944 -3.6943 -3.5664 -3.5658 -3.2499 -3.2491 -3.1349 -3.1340 -3.1015 -3.1005 2.0240 2.0522 2.3068 2.3069 2.7477 2.7514 4.8643 4.9079 5.7695 5.7746 6.8521 6.8546 7.1957 7.2479 7.3422 7.3998 8.4129 8.4474 8.8726 8.8863 9.5542 9.6020 9.7497 9.7582 10.0305 10.0744 10.2216 10.2457 13.5499 13.5951 13.6718 13.6819 13.9151 13.9599 14.2154 14.2326 k = 0.3947 0.3947 0.2260 ( 4986 PWs) bands (ev): -50.6683 -50.6683 -50.6683 -50.6683 -25.0033 -25.0033 -25.0028 -25.0028 -17.3247 -17.3239 -17.3225 -17.3212 -17.2897 -17.2867 -17.2866 -17.2850 -3.6933 -3.6932 -3.5667 -3.5661 -3.2494 -3.2485 -3.1351 -3.1342 -3.1020 -3.1010 1.9505 1.9790 2.2491 2.2491 2.7640 2.7672 4.8448 4.8876 5.7856 5.7898 6.8785 6.8810 7.2942 7.3276 7.5057 7.5489 8.3653 8.3997 8.8094 8.8253 9.5773 9.6278 9.7568 9.7680 10.0632 10.1070 10.2320 10.2562 13.5339 13.5965 13.7062 13.7139 13.9794 14.0072 14.2412 14.2650 k = 0.3860 0.3860 0.2260 ( 4976 PWs) bands (ev): -50.6684 -50.6684 -50.6684 -50.6684 -25.0031 -25.0030 -25.0025 -25.0025 -17.3240 -17.3231 -17.3216 -17.3202 -17.2895 -17.2863 -17.2862 -17.2845 -3.6922 -3.6921 -3.5670 -3.5663 -3.2487 -3.2478 -3.1353 -3.1343 -3.1026 -3.1015 1.8736 1.9022 2.1880 2.1881 2.7807 2.7835 4.8331 4.8749 5.8064 5.8098 6.9068 6.9093 7.3862 7.4089 7.6682 7.7062 8.3145 8.3478 8.7478 8.7665 9.6005 9.6530 9.7647 9.7781 10.0990 10.1422 10.2492 10.2728 13.5091 13.5829 13.7312 13.7360 14.0496 14.0646 14.2759 14.3053 k = 0.3772 0.3772 0.2260 ( 4984 PWs) bands (ev): -50.6684 -50.6684 -50.6684 -50.6684 -25.0029 -25.0028 -25.0023 -25.0022 -17.3232 -17.3223 -17.3206 -17.3192 -17.2893 -17.2860 -17.2858 -17.2839 -3.6910 -3.6910 -3.5673 -3.5666 -3.2481 -3.2472 -3.1355 -3.1344 -3.1033 -3.1021 1.7940 1.8224 2.1239 2.1240 2.7978 2.8002 4.8286 4.8695 5.8321 5.8345 6.9371 6.9396 7.4759 7.4921 7.8258 7.8644 8.2610 8.2922 8.6911 8.7134 9.6238 9.6776 9.7734 9.7881 10.1380 10.1800 10.2727 10.2953 13.4814 13.5623 13.7487 13.7507 14.1110 14.1114 14.3151 14.3392 k = 0.3684 0.3684 0.2260 ( 4992 PWs) bands (ev): -50.6685 -50.6685 -50.6685 -50.6685 -25.0026 -25.0026 -25.0020 -25.0020 -17.3225 -17.3215 -17.3196 -17.3182 -17.2891 -17.2856 -17.2853 -17.2834 -3.6899 -3.6898 -3.5676 -3.5669 -3.2475 -3.2465 -3.1357 -3.1346 -3.1040 -3.1027 1.7122 1.7402 2.0572 2.0573 2.8152 2.8172 4.8311 4.8709 5.8626 5.8640 6.9694 6.9719 7.5649 7.5768 7.9703 8.0150 8.2071 8.2340 8.6456 8.6727 9.6473 9.7018 9.7826 9.7983 10.1802 10.2201 10.3020 10.3227 13.4538 13.5398 13.7608 13.7615 14.1288 14.1505 14.3519 14.3845 k = 0.3596 0.3596 0.2260 ( 4998 PWs) bands (ev): -50.6685 -50.6685 -50.6685 -50.6685 -25.0024 -25.0024 -25.0018 -25.0018 -17.3216 -17.3206 -17.3186 -17.3171 -17.2887 -17.2851 -17.2848 -17.2828 -3.6886 -3.6885 -3.5680 -3.5672 -3.2468 -3.2458 -3.1360 -3.1347 -3.1048 -3.1034 1.6285 1.6561 1.9883 1.9883 2.8326 2.8343 4.8401 4.8787 5.8978 5.8980 7.0036 7.0061 7.6539 7.6628 8.0757 8.1341 8.1662 8.1828 8.6255 8.6578 9.6710 9.7255 9.7927 9.8089 10.2256 10.2617 10.3366 10.3544 13.4279 13.5181 13.7691 13.7726 14.1214 14.1621 14.3756 14.4370 k = 0.3509 0.3509 0.2260 ( 5000 PWs) bands (ev): -50.6686 -50.6686 -50.6686 -50.6685 -25.0021 -25.0021 -25.0015 -25.0015 -17.3207 -17.3196 -17.3176 -17.3160 -17.2884 -17.2846 -17.2842 -17.2821 -3.6873 -3.6872 -3.5684 -3.5676 -3.2461 -3.2450 -3.1362 -3.1349 -3.1056 -3.1041 1.5437 1.5706 1.9174 1.9175 2.8500 2.8513 4.8553 4.8927 5.9365 5.9376 7.0397 7.0423 7.7425 7.7496 8.0656 8.1036 8.1944 8.2304 8.6581 8.6898 9.6949 9.7488 9.8040 9.8200 10.2733 10.3035 10.3767 10.3899 13.4045 13.4989 13.7778 13.7843 14.1015 14.1545 14.3827 14.4454 k = 0.3421 0.3421 0.2260 ( 4996 PWs) bands (ev): -50.6686 -50.6686 -50.6686 -50.6686 -25.0018 -25.0018 -25.0012 -25.0011 -17.3198 -17.3187 -17.3164 -17.3149 -17.2879 -17.2841 -17.2836 -17.2814 -3.6860 -3.6859 -3.5688 -3.5679 -3.2453 -3.2441 -3.1363 -3.1350 -3.1064 -3.1048 1.4580 1.4843 1.8450 1.8451 2.8672 2.8680 4.8762 4.9124 5.9792 5.9818 7.0776 7.0802 7.8284 7.8357 8.0118 8.0438 8.2119 8.2457 8.7569 8.7789 9.7192 9.7713 9.8174 9.8320 10.3223 10.3437 10.4230 10.4292 13.3841 13.4832 13.7884 13.7986 14.0766 14.1368 14.3777 14.4295 k = 0.3333 0.3333 0.2260 ( 4994 PWs) bands (ev): -50.6687 -50.6687 -50.6687 -50.6687 -25.0015 -25.0014 -25.0008 -25.0008 -17.3189 -17.3177 -17.3153 -17.3138 -17.2874 -17.2835 -17.2829 -17.2807 -3.6847 -3.6846 -3.5692 -3.5683 -3.2444 -3.2433 -3.1365 -3.1351 -3.1072 -3.1056 1.3719 1.3974 1.7713 1.7715 2.8839 2.8844 4.9025 4.9375 6.0259 6.0303 7.1172 7.1198 7.8942 7.9033 7.9725 8.0028 8.1956 8.2230 8.8977 8.9079 9.7439 9.7926 9.8339 9.8450 10.3705 10.3810 10.4732 10.4758 13.3672 13.4715 13.8014 13.8165 14.0503 14.1143 14.3647 14.4065 k = 0.3246 0.3246 0.2260 ( 4994 PWs) bands (ev): -50.6687 -50.6687 -50.6687 -50.6687 -25.0012 -25.0011 -25.0005 -25.0004 -17.3179 -17.3167 -17.3141 -17.3127 -17.2868 -17.2829 -17.2821 -17.2799 -3.6834 -3.6833 -3.5696 -3.5687 -3.2436 -3.2424 -3.1366 -3.1351 -3.1082 -3.1065 1.2858 1.3105 1.6968 1.6970 2.9001 2.9001 4.9341 4.9679 6.0763 6.0828 7.1582 7.1609 7.8718 7.8754 8.0320 8.0466 8.1627 8.1854 9.0558 9.0563 9.7689 9.8122 9.8544 9.8591 10.4149 10.4155 10.5236 10.5347 13.3537 13.4644 13.8164 13.8389 14.0251 14.0899 14.3465 14.3807 k = 0.3158 0.3158 0.2260 ( 4998 PWs) bands (ev): -50.6688 -50.6688 -50.6688 -50.6688 -25.0009 -25.0008 -25.0002 -25.0001 -17.3170 -17.3157 -17.3130 -17.3116 -17.2862 -17.2822 -17.2813 -17.2792 -3.6820 -3.6819 -3.5701 -3.5691 -3.2427 -3.2415 -3.1367 -3.1352 -3.1091 -3.1074 1.2000 1.2239 1.6216 1.6219 2.9150 2.9154 4.9705 5.0032 6.1299 6.1390 7.2002 7.2032 7.8126 7.8159 8.1150 8.1295 8.1304 8.1454 9.2103 9.2218 9.7944 9.8307 9.8742 9.8795 10.4454 10.4554 10.5814 10.5987 13.3437 13.4622 13.8308 13.8659 14.0044 14.0653 14.3247 14.3531 k = 0.3070 0.3070 0.2260 ( 4990 PWs) bands (ev): -50.6688 -50.6688 -50.6688 -50.6688 -25.0005 -25.0004 -24.9998 -24.9997 -17.3160 -17.3147 -17.3118 -17.3105 -17.2855 -17.2815 -17.2805 -17.2783 -3.6807 -3.6806 -3.5706 -3.5696 -3.2417 -3.2406 -3.1368 -3.1353 -3.1101 -3.1083 1.1149 1.1379 1.5460 1.5464 2.9290 2.9298 5.0116 5.0431 6.1865 6.1986 7.2428 7.2462 7.7517 7.7523 8.0835 8.1016 8.2135 8.2253 9.3644 9.3892 9.8203 9.8494 9.8904 9.9094 10.4727 10.4900 10.6463 10.6674 13.3370 13.4651 13.8391 13.8969 13.9944 14.0420 14.3004 14.3245 k = 0.2982 0.2982 0.2260 ( 4986 PWs) bands (ev): -50.6689 -50.6689 -50.6689 -50.6689 -25.0002 -25.0000 -24.9994 -24.9992 -17.3150 -17.3137 -17.3106 -17.3094 -17.2846 -17.2807 -17.2796 -17.2774 -3.6793 -3.6792 -3.5711 -3.5700 -3.2408 -3.2396 -3.1368 -3.1353 -3.1112 -3.1093 1.0306 1.0527 1.4704 1.4709 2.9418 2.9430 5.0571 5.0876 6.2455 6.2614 7.2846 7.2889 7.6887 7.6940 8.0465 8.0630 8.3066 8.3202 9.5117 9.5559 9.8466 9.8697 9.9076 9.9458 10.4970 10.5201 10.7170 10.7401 13.3332 13.4730 13.8345 13.9295 14.0016 14.0232 14.2742 14.2950 k = 0.2895 0.2895 0.2260 ( 4986 PWs) bands (ev): -50.6690 -50.6690 -50.6690 -50.6689 -24.9998 -24.9996 -24.9991 -24.9989 -17.3140 -17.3127 -17.3095 -17.3084 -17.2837 -17.2799 -17.2786 -17.2764 -3.6780 -3.6779 -3.5716 -3.5705 -3.2398 -3.2386 -3.1369 -3.1353 -3.1123 -3.1104 0.9474 0.9687 1.3950 1.3956 2.9533 2.9549 5.1070 5.1365 6.3062 6.3268 7.3229 7.3296 7.6309 7.6407 8.0133 8.0286 8.4006 8.4164 9.6437 9.7200 9.8733 9.8934 9.9259 9.9938 10.5184 10.5464 10.7926 10.8163 13.3315 13.4856 13.8168 13.9535 14.0194 14.0260 14.2465 14.2648 k = 0.2807 0.2807 0.2260 ( 4974 PWs) bands (ev): -50.6690 -50.6690 -50.6690 -50.6690 -24.9994 -24.9992 -24.9987 -24.9984 -17.3130 -17.3117 -17.3084 -17.3074 -17.2827 -17.2790 -17.2776 -17.2754 -3.6767 -3.6766 -3.5721 -3.5710 -3.2388 -3.2376 -3.1369 -3.1353 -3.1133 -3.1114 0.8656 0.8860 1.3200 1.3206 2.9634 2.9653 5.1610 5.1895 6.3680 6.3945 7.3513 7.3639 7.5856 7.5976 7.9853 7.9994 8.4950 8.5135 9.7480 9.8787 9.9004 9.9220 9.9469 10.0626 10.5372 10.5695 10.8721 10.8957 13.3308 13.5016 13.7920 13.9540 14.0456 14.0618 14.2176 14.2343 k = 0.2719 0.2719 0.2260 ( 4970 PWs) bands (ev): -50.6691 -50.6691 -50.6691 -50.6691 -24.9990 -24.9988 -24.9983 -24.9980 -17.3120 -17.3107 -17.3074 -17.3064 -17.2816 -17.2780 -17.2766 -17.2744 -3.6754 -3.6753 -3.5727 -3.5716 -3.2378 -3.2366 -3.1368 -3.1353 -3.1145 -3.1125 0.7852 0.8048 1.2456 1.2463 2.9718 2.9741 5.2190 5.2465 6.4296 6.4637 7.3569 7.3825 7.5663 7.5746 7.9635 7.9762 8.5892 8.6109 9.8173 9.9276 9.9550 9.9604 10.0414 10.1588 10.5537 10.5902 10.9548 10.9776 13.3294 13.5181 13.7666 13.9454 14.0879 14.1036 14.1877 14.2039 k = 0.2632 0.2632 0.2260 ( 4966 PWs) bands (ev): -50.6691 -50.6691 -50.6691 -50.6691 -24.9986 -24.9984 -24.9979 -24.9977 -17.3110 -17.3097 -17.3064 -17.3054 -17.2805 -17.2770 -17.2755 -17.2733 -3.6742 -3.6741 -3.5732 -3.5721 -3.2367 -3.2357 -3.1368 -3.1352 -3.1156 -3.1136 0.7066 0.7254 1.1720 1.1728 2.9786 2.9812 5.2809 5.3075 6.4898 6.5334 7.3334 7.3771 7.5799 7.5812 7.9486 7.9597 8.6830 8.7083 9.8611 9.9549 9.9828 9.9896 10.1909 10.2752 10.5684 10.6091 11.0399 11.0615 13.3250 13.5284 13.7485 13.9394 14.1344 14.1423 14.1571 14.1794 k = 0.2544 0.2544 0.2260 ( 4968 PWs) bands (ev): -50.6692 -50.6692 -50.6692 -50.6692 -24.9982 -24.9980 -24.9975 -24.9973 -17.3101 -17.3087 -17.3055 -17.3045 -17.2793 -17.2759 -17.2743 -17.2723 -3.6730 -3.6729 -3.5738 -3.5727 -3.2357 -3.2347 -3.1367 -3.1352 -3.1169 -3.1148 0.6298 0.6477 1.0995 1.1003 2.9836 2.9865 5.3465 5.3723 6.5463 6.6023 7.2933 7.3556 7.6111 7.6150 7.9416 7.9506 8.7755 8.8052 9.8928 9.9819 10.0051 10.0238 10.3357 10.3989 10.5820 10.6275 11.1267 11.1466 13.3151 13.5225 13.7478 13.9402 14.1251 14.1323 14.1819 14.2040 k = 0.2456 0.2456 0.2260 ( 4968 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9979 -24.9976 -24.9972 -24.9969 -17.3092 -17.3078 -17.3046 -17.3036 -17.2780 -17.2748 -17.2732 -17.2712 -3.6718 -3.6718 -3.5745 -3.5733 -3.2347 -3.2337 -3.1366 -3.1351 -3.1181 -3.1160 0.5550 0.5721 1.0281 1.0289 2.9867 2.9899 5.4158 5.4408 6.5964 6.6677 7.2507 7.3327 7.6517 7.6595 7.9433 7.9497 8.8662 8.9008 9.9199 10.0085 10.0288 10.0575 10.4734 10.5188 10.5957 10.6493 11.2142 11.2322 13.2970 13.4944 13.7691 13.9495 14.0930 14.1017 14.2266 14.2474 k = 0.2368 0.2368 0.2260 ( 4972 PWs) bands (ev): -50.6693 -50.6693 -50.6693 -50.6693 -24.9975 -24.9972 -24.9968 -24.9965 -17.3083 -17.3069 -17.3039 -17.3028 -17.2767 -17.2737 -17.2720 -17.2700 -3.6707 -3.6707 -3.5751 -3.5740 -3.2337 -3.2327 -3.1366 -3.1351 -3.1194 -3.1173 0.4822 0.4985 0.9580 0.9589 2.9880 2.9914 5.4888 5.5129 6.6367 6.7254 7.2150 7.3178 7.6959 7.7075 7.9548 7.9579 8.9540 8.9943 9.9460 10.0349 10.0542 10.0911 10.5860 10.6100 10.6277 10.6965 11.3015 11.3173 13.2687 13.4476 13.8067 13.9671 14.0604 14.0694 14.2663 14.2884 k = 0.2281 0.2281 0.2260 ( 4968 PWs) bands (ev): -50.6694 -50.6694 -50.6694 -50.6694 -24.9971 -24.9968 -24.9964 -24.9961 -17.3075 -17.3060 -17.3032 -17.3019 -17.2753 -17.2725 -17.2707 -17.2688 -3.6696 -3.6696 -3.5758 -3.5746 -3.2327 -3.2318 -3.1364 -3.1350 -3.1207 -3.1186 0.4117 0.4272 0.8895 0.8904 2.9875 2.9911 5.5652 5.5886 6.6636 6.7682 7.1954 7.3172 7.7406 7.7560 7.9762 7.9767 9.0378 9.0847 9.9730 10.0621 10.0807 10.1249 10.6112 10.6455 10.7406 10.7947 11.3876 11.4011 13.2292 13.3873 13.8517 13.9904 14.0276 14.0367 14.2979 14.3231 k = 0.2193 0.2193 0.2260 ( 4974 PWs) bands (ev): -50.6695 -50.6695 -50.6694 -50.6694 -24.9968 -24.9965 -24.9961 -24.9958 -17.3067 -17.3052 -17.3026 -17.3012 -17.2739 -17.2713 -17.2695 -17.2677 -3.6686 -3.6686 -3.5765 -3.5753 -3.2318 -3.2309 -3.1362 -3.1348 -3.1220 -3.1199 0.3434 0.3581 0.8225 0.8235 2.9851 2.9889 5.6451 5.6678 6.6747 6.7879 7.2007 7.3342 7.7843 7.8032 8.0054 8.0092 9.1164 9.1705 10.0019 10.0913 10.1077 10.1592 10.6241 10.6632 10.8598 10.9055 11.4714 11.4828 13.1781 13.3163 13.8953 13.9935 14.0039 14.0149 14.3168 14.3486 k = 0.2105 0.2105 0.2260 ( 4970 PWs) bands (ev): -50.6695 -50.6695 -50.6695 -50.6695 -24.9964 -24.9961 -24.9957 -24.9954 -17.3059 -17.3044 -17.3020 -17.3004 -17.2724 -17.2700 -17.2682 -17.2665 -3.6676 -3.6676 -3.5771 -3.5760 -3.2308 -3.2299 -3.1360 -3.1347 -3.1233 -3.1213 0.2774 0.2914 0.7573 0.7583 2.9810 2.9850 5.7284 5.7503 6.6704 6.7821 7.2340 7.3688 7.8272 7.8487 8.0452 8.0518 9.1883 9.2502 10.0334 10.1237 10.1349 10.1945 10.6367 10.6777 10.9737 11.0145 11.5524 11.5617 13.1159 13.2362 13.9276 13.9604 13.9713 14.0288 14.3158 14.3624 k = 0.2018 0.2018 0.2260 ( 4968 PWs) bands (ev): -50.6696 -50.6696 -50.6695 -50.6695 -24.9960 -24.9957 -24.9953 -24.9950 -17.3051 -17.3036 -17.3014 -17.2996 -17.2709 -17.2687 -17.2669 -17.2652 -3.6666 -3.6666 -3.5778 -3.5767 -3.2299 -3.2291 -3.1358 -3.1345 -3.1246 -3.1226 0.2139 0.2271 0.6940 0.6950 2.9752 2.9793 5.8150 5.8362 6.6532 6.7566 7.2893 7.4187 7.8702 7.8934 8.0947 8.1028 9.2523 9.3222 10.0674 10.1563 10.1658 10.2313 10.6502 10.6919 11.0815 11.1190 11.6299 11.6374 13.0435 13.1480 13.9267 13.9382 13.9392 14.0220 14.2829 14.3326 k = 0.1930 0.1930 0.2260 ( 4968 PWs) bands (ev): -50.6696 -50.6696 -50.6696 -50.6696 -24.9956 -24.9953 -24.9950 -24.9947 -17.3044 -17.3028 -17.3009 -17.2990 -17.2694 -17.2673 -17.2656 -17.2640 -3.6658 -3.6657 -3.5785 -3.5774 -3.2290 -3.2282 -3.1356 -3.1344 -3.1259 -3.1240 0.1528 0.1653 0.6326 0.6336 2.9679 2.9721 5.9048 5.9252 6.6267 6.7197 7.3586 7.4803 7.9150 7.9387 8.1518 8.1604 9.3074 9.3848 10.1027 10.1819 10.2078 10.2704 10.6653 10.7070 11.1828 11.2181 11.7037 11.7098 12.9622 13.0527 13.8920 13.9067 13.9224 13.9871 14.2149 14.2203 k = 0.1842 0.1842 0.2260 ( 4976 PWs) bands (ev): -50.6697 -50.6697 -50.6697 -50.6696 -24.9952 -24.9950 -24.9947 -24.9944 -17.3037 -17.3021 -17.3004 -17.2983 -17.2680 -17.2660 -17.2643 -17.2628 -3.6650 -3.6649 -3.5792 -3.5781 -3.2281 -3.2274 -3.1353 -3.1343 -3.1272 -3.1253 0.0943 0.1061 0.5734 0.5744 2.9592 2.9635 5.9977 6.0174 6.5942 6.6771 7.4360 7.5504 7.9626 7.9863 8.2149 8.2232 9.3531 9.4370 10.1374 10.2038 10.2566 10.3123 10.6831 10.7245 11.2769 11.3107 11.7740 11.7793 12.8738 12.9517 13.8532 13.8696 13.8859 13.9296 14.1071 14.1304 k = 0.1754 0.1754 0.2260 ( 4960 PWs) bands (ev): -50.6698 -50.6698 -50.6697 -50.6697 -24.9948 -24.9945 -24.9942 -24.9940 -17.3030 -17.3014 -17.2999 -17.2977 -17.2664 -17.2646 -17.2629 -17.2616 -3.6641 -3.6641 -3.5799 -3.5788 -3.2272 -3.2265 -3.1350 -3.1341 -3.1284 -3.1267 0.0383 0.0494 0.5163 0.5173 2.9493 2.9536 6.0936 6.1124 6.5583 6.6323 7.5181 7.6262 8.0139 8.0371 8.2824 8.2899 9.3896 9.4783 10.1687 10.2223 10.3097 10.3564 10.7051 10.7464 11.3629 11.3958 11.8413 11.8464 12.7804 12.8467 13.7988 13.8098 13.8525 13.8703 13.9995 14.0418 k = 0.1667 0.1667 0.2260 ( 4952 PWs) bands (ev): -50.6698 -50.6698 -50.6697 -50.6697 -24.9944 -24.9941 -24.9939 -24.9936 -17.3023 -17.3007 -17.2995 -17.2971 -17.2649 -17.2632 -17.2616 -17.2603 -3.6633 -3.6633 -3.5806 -3.5795 -3.2264 -3.2258 -3.1347 -3.1340 -3.1296 -3.1280 -0.0151 -0.0046 0.4615 0.4624 2.9384 2.9426 6.1921 6.2098 6.5209 6.5875 7.6029 7.7059 8.0694 8.0918 8.3534 8.3596 9.4176 9.5093 10.1943 10.2364 10.3634 10.4003 10.7337 10.7753 11.4395 11.4716 11.9064 11.9121 12.6843 12.7397 13.7187 13.7299 13.8241 13.8283 13.9016 13.9533 k = 0.1579 0.1579 0.2260 ( 4952 PWs) bands (ev): -50.6699 -50.6699 -50.6698 -50.6698 -24.9941 -24.9938 -24.9935 -24.9932 -17.3017 -17.3000 -17.2991 -17.2966 -17.2634 -17.2619 -17.2604 -17.2591 -3.6627 -3.6626 -3.5813 -3.5803 -3.2256 -3.2251 -3.1344 -3.1341 -3.1306 -3.1294 -0.0658 -0.0560 0.4090 0.4100 2.9265 2.9307 6.2920 6.3083 6.4846 6.5452 7.6890 7.7880 8.1293 8.1507 8.4273 8.4317 9.4382 9.5309 10.2124 10.2450 10.4128 10.4398 10.7721 10.8146 11.5054 11.5363 11.9704 11.9774 12.5887 12.6331 13.6258 13.6382 13.7968 13.7971 13.8151 13.8660 k = 0.1491 0.1491 0.2260 ( 4948 PWs) bands (ev): -50.6699 -50.6699 -50.6698 -50.6698 -24.9937 -24.9934 -24.9932 -24.9929 -17.3011 -17.2994 -17.2987 -17.2961 -17.2620 -17.2606 -17.2591 -17.2580 -3.6620 -3.6619 -3.5820 -3.5810 -3.2249 -3.2244 -3.1344 -3.1341 -3.1312 -3.1307 -0.1139 -0.1047 0.3590 0.3599 2.9140 2.9181 6.3826 6.3993 6.4607 6.5144 7.7756 7.8715 8.1935 8.2139 8.5035 8.5058 9.4526 9.5445 10.2218 10.2466 10.4528 10.4704 10.8232 10.8666 11.5591 11.5876 12.0343 12.0434 12.4969 12.5294 13.5305 13.5420 13.7311 13.7702 13.7764 13.7809 k = 0.1404 0.1404 0.2260 ( 4948 PWs) bands (ev): -50.6700 -50.6700 -50.6699 -50.6699 -24.9934 -24.9931 -24.9929 -24.9927 -17.3006 -17.2988 -17.2984 -17.2957 -17.2606 -17.2594 -17.2579 -17.2569 -3.6614 -3.6614 -3.5826 -3.5817 -3.2242 -3.2238 -3.1351 -3.1338 -3.1319 -3.1316 -0.1593 -0.1507 0.3114 0.3123 2.9010 2.9050 6.3908 6.4267 6.5230 6.5517 7.8620 7.9555 8.2619 8.2812 8.5815 8.5817 9.4620 9.5514 10.2213 10.2397 10.4806 10.4896 10.8872 10.9310 11.5996 11.6237 12.0979 12.1106 12.4130 12.4313 13.4383 13.4479 13.6544 13.6961 13.7479 13.7552 k = 0.1316 0.1316 0.2260 ( 4952 PWs) bands (ev): -50.6700 -50.6700 -50.6699 -50.6699 -24.9931 -24.9928 -24.9926 -24.9924 -17.3001 -17.2983 -17.2981 -17.2953 -17.2593 -17.2581 -17.2568 -17.2558 -3.6609 -3.6608 -3.5833 -3.5824 -3.2236 -3.2232 -3.1359 -3.1338 -3.1330 -3.1317 -0.2019 -0.1940 0.2665 0.2673 2.8878 2.8916 6.3592 6.3970 6.6291 6.6509 7.9476 8.0392 8.3341 8.3525 8.6583 8.6618 9.4675 9.5529 10.2097 10.2227 10.4961 10.4976 10.9613 11.0049 11.6268 11.6438 12.1585 12.1781 12.3420 12.3430 13.3527 13.3603 13.5793 13.6136 13.7277 13.7368 k = 0.1228 0.1228 0.2260 ( 4952 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9928 -24.9925 -24.9924 -24.9921 -17.2996 -17.2978 -17.2978 -17.2950 -17.2580 -17.2569 -17.2557 -17.2547 -3.6604 -3.6603 -3.5840 -3.5831 -3.2230 -3.2226 -3.1369 -3.1346 -3.1331 -3.1317 -0.2419 -0.2346 0.2241 0.2250 2.8744 2.8781 6.3255 6.3608 6.7419 6.7614 8.0318 8.1220 8.4095 8.4273 8.7362 8.7434 9.4702 9.5501 10.1857 10.1939 10.4959 10.5009 11.0407 11.0832 11.6417 11.6493 12.1995 12.2319 12.2776 12.3054 13.2767 13.2829 13.5050 13.5322 13.7103 13.7212 k = 0.1140 0.1140 0.2260 ( 4956 PWs) bands (ev): -50.6701 -50.6701 -50.6700 -50.6700 -24.9925 -24.9923 -24.9921 -24.9919 -17.2992 -17.2975 -17.2973 -17.2946 -17.2567 -17.2558 -17.2546 -17.2538 -3.6600 -3.6599 -3.5846 -3.5837 -3.2225 -3.2221 -3.1379 -3.1358 -3.1329 -3.1316 -0.2791 -0.2723 0.1845 0.1853 2.8611 2.8646 6.2927 6.3249 6.8582 6.8764 8.1142 8.2035 8.4877 8.5052 8.8146 8.8264 9.4710 9.5437 10.1484 10.1522 10.4859 10.4969 11.1190 11.1592 11.6442 11.6465 12.1870 12.1876 12.3248 12.3337 13.2129 13.2179 13.4311 13.4519 13.6954 13.7082 k = 0.1053 0.1053 0.2260 ( 4956 PWs) bands (ev): -50.6701 -50.6701 -50.6701 -50.6701 -24.9923 -24.9920 -24.9918 -24.9916 -17.2988 -17.2973 -17.2968 -17.2943 -17.2555 -17.2547 -17.2536 -17.2528 -3.6595 -3.6594 -3.5852 -3.5844 -3.2220 -3.2217 -3.1389 -3.1369 -3.1326 -3.1314 -0.3135 -0.3073 0.1476 0.1483 2.8480 2.8513 6.2616 6.2908 6.9774 6.9946 8.1944 8.2831 8.5677 8.5858 8.8933 8.9107 9.4711 9.5346 10.0969 10.0971 10.4689 10.4853 11.1882 11.2232 11.6375 11.6460 12.1370 12.1589 12.3908 12.3913 13.1630 13.1671 13.3572 13.3727 13.6827 13.6974 k = 0.0965 0.0965 0.2260 ( 4948 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9920 -24.9918 -24.9916 -24.9913 -17.2984 -17.2971 -17.2963 -17.2940 -17.2544 -17.2537 -17.2526 -17.2519 -3.6591 -3.6590 -3.5858 -3.5850 -3.2215 -3.2212 -3.1398 -3.1380 -3.1323 -3.1312 -0.3452 -0.3396 0.1134 0.1141 2.8354 2.8385 6.2326 6.2588 7.0993 7.1156 8.2718 8.3603 8.6485 8.6684 8.9717 8.9958 9.4713 9.5234 10.0280 10.0320 10.4459 10.4672 11.2369 11.2610 11.6435 11.6485 12.1045 12.1376 12.4507 12.4560 13.1280 13.1315 13.2835 13.2950 13.6714 13.6883 k = 0.0877 0.0877 0.2260 ( 4958 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9918 -24.9916 -24.9914 -24.9912 -17.2981 -17.2969 -17.2959 -17.2939 -17.2534 -17.2528 -17.2518 -17.2511 -3.6588 -3.6587 -3.5863 -3.5856 -3.2211 -3.2209 -3.1407 -3.1390 -3.1320 -3.1311 -0.3741 -0.3691 0.0821 0.0827 2.8234 2.8262 6.2057 6.2291 7.2236 7.2391 8.3461 8.4344 8.7289 8.7523 9.0489 9.0813 9.4733 9.5107 9.9466 9.9542 10.4175 10.4432 11.2523 11.2606 11.6649 11.6740 12.0922 12.1282 12.5075 12.5164 13.1077 13.1113 13.2100 13.2197 13.6606 13.6796 k = 0.0789 0.0789 0.2260 ( 4954 PWs) bands (ev): -50.6702 -50.6702 -50.6701 -50.6701 -24.9916 -24.9914 -24.9912 -24.9910 -17.2978 -17.2967 -17.2955 -17.2936 -17.2524 -17.2518 -17.2510 -17.2504 -3.6585 -3.6584 -3.5868 -3.5861 -3.2207 -3.2205 -3.1414 -3.1399 -3.1318 -3.1309 -0.4003 -0.3957 0.0537 0.0543 2.8121 2.8147 6.1812 6.2020 7.3502 7.3648 8.4167 8.5049 8.8071 8.8365 9.1236 9.1662 9.4788 9.4970 9.8547 9.8657 10.3844 10.4141 11.2241 11.2294 11.6999 11.7264 12.1008 12.1322 12.5586 12.5708 13.0955 13.1063 13.1370 13.1531 13.6487 13.6694 k = 0.0702 0.0702 0.2260 ( 4958 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9914 -24.9912 -24.9910 -24.9909 -17.2975 -17.2966 -17.2952 -17.2935 -17.2515 -17.2510 -17.2503 -17.2497 -3.6583 -3.6582 -3.5872 -3.5866 -3.2204 -3.2203 -3.1422 -3.1408 -3.1315 -3.1308 -0.4236 -0.4197 0.0282 0.0287 2.8017 2.8040 6.1592 6.1774 7.4786 7.4924 8.4830 8.5710 8.8811 8.9200 9.1928 9.2484 9.4831 9.4906 9.7559 9.7698 10.3473 10.3804 11.1630 11.1754 11.7472 11.7886 12.1287 12.1503 12.6027 12.6178 13.0536 13.0648 13.1159 13.1329 13.6333 13.6542 k = 0.0614 0.0614 0.2260 ( 4954 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9912 -24.9911 -24.9909 -24.9907 -17.2972 -17.2964 -17.2949 -17.2934 -17.2507 -17.2503 -17.2496 -17.2491 -3.6580 -3.6580 -3.5876 -3.5871 -3.2201 -3.2200 -3.1428 -3.1416 -3.1313 -3.1306 -0.4442 -0.4408 0.0056 0.0060 2.7922 2.7942 6.1398 6.1555 7.6086 7.6216 8.5447 8.6315 8.9487 9.0009 9.2511 9.3222 9.4684 9.5115 9.6593 9.6730 10.3069 10.3427 11.0869 11.1014 11.7989 11.8510 12.1727 12.1823 12.6391 12.6567 12.9876 12.9941 13.1387 13.1524 13.6118 13.6299 k = 0.0526 0.0526 0.2260 ( 4952 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9911 -24.9909 -24.9907 -24.9905 -17.2970 -17.2963 -17.2946 -17.2933 -17.2500 -17.2496 -17.2491 -17.2486 -3.6578 -3.6578 -3.5880 -3.5875 -3.2199 -3.2198 -3.1433 -3.1423 -3.1311 -3.1305 -0.4621 -0.4591 -0.0141 -0.0137 2.7838 2.7856 6.1230 6.1363 7.7398 7.7520 8.6007 8.6850 9.0072 9.0769 9.2872 9.3740 9.4367 9.5324 9.5980 9.5991 10.2642 10.3017 11.0023 11.0160 11.8505 11.9085 12.2263 12.2278 12.6678 12.6878 12.9217 12.9256 13.1724 13.1861 13.5827 13.5953 k = 0.0439 0.0439 0.2260 ( 4960 PWs) bands (ev): -50.6703 -50.6703 -50.6702 -50.6702 -24.9910 -24.9908 -24.9906 -24.9905 -17.2968 -17.2963 -17.2943 -17.2932 -17.2494 -17.2491 -17.2486 -17.2482 -3.6577 -3.6576 -3.5883 -3.5879 -3.2197 -3.2196 -3.1438 -3.1429 -3.1309 -3.1304 -0.4771 -0.4747 -0.0307 -0.0304 2.7765 2.7780 6.1088 6.1198 7.8714 7.8827 8.6499 8.7294 9.0549 9.1430 9.2801 9.3539 9.3972 9.5038 9.6181 9.6219 10.2203 10.2582 10.9138 10.9257 11.9003 11.9591 12.2782 12.2885 12.6886 12.7115 12.8606 12.8612 13.2144 13.2282 13.5468 13.5538 k = 0.0351 0.0351 0.2260 ( 4964 PWs) bands (ev): -50.6703 -50.6703 -50.6703 -50.6703 -24.9909 -24.9908 -24.9905 -24.9904 -17.2967 -17.2962 -17.2941 -17.2932 -17.2489 -17.2487 -17.2483 -17.2479 -3.6576 -3.6575 -3.5885 -3.5882 -3.2196 -3.2195 -3.1442 -3.1435 -3.1307 -3.1304 -0.4894 -0.4874 -0.0444 -0.0441 2.7705 2.7717 6.0973 6.1060 8.0023 8.0127 8.6901 8.7613 9.0899 9.1850 9.2208 9.2572 9.4075 9.4949 9.6822 9.6845 10.1770 10.2131 10.8262 10.8357 11.9475 12.0026 12.3328 12.3491 12.6993 12.7271 12.8025 12.8115 13.2615 13.2750 13.5077 13.5104 k = 0.0263 0.0263 0.2260 ( 4960 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9908 -24.9907 -24.9904 -24.9903 -17.2965 -17.2962 -17.2938 -17.2932 -17.2484 -17.2482 -17.2480 -17.2477 -3.6575 -3.6574 -3.5887 -3.5884 -3.2195 -3.2194 -3.1444 -3.1439 -3.1306 -3.1303 -0.4989 -0.4974 -0.0550 -0.0548 2.7658 2.7668 6.0886 6.0951 8.1306 8.1399 8.7172 8.7747 9.0949 9.1272 9.1604 9.2366 9.4270 9.5074 9.7544 9.7558 10.1361 10.1677 10.7447 10.7518 11.9910 12.0381 12.3847 12.4044 12.6929 12.7200 12.7687 12.7824 13.3107 13.3230 13.4698 13.4700 k = 0.0175 0.0175 0.2260 ( 4964 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9907 -24.9907 -24.9904 -24.9903 -17.2964 -17.2962 -17.2937 -17.2932 -17.2481 -17.2480 -17.2479 -17.2476 -3.6574 -3.6574 -3.5888 -3.5886 -3.2194 -3.2193 -3.1446 -3.1442 -3.1305 -3.1303 -0.5056 -0.5046 -0.0626 -0.0625 2.7625 2.7631 6.0827 6.0870 8.2519 8.2599 8.7229 8.7610 9.0392 9.0418 9.1653 9.2372 9.4579 9.5208 9.8220 9.8251 10.1000 10.1238 10.6760 10.6808 12.0287 12.0637 12.4297 12.4490 12.6704 12.6830 12.7697 12.7757 13.3573 13.3666 13.4373 13.4401 k = 0.0088 0.0088 0.2260 ( 4948 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9906 -24.9906 -24.9902 -24.9902 -17.2963 -17.2962 -17.2934 -17.2932 -17.2478 -17.2477 -17.2477 -17.2475 -3.6573 -3.6573 -3.5888 -3.5887 -3.2193 -3.2192 -3.1446 -3.1444 -3.1304 -3.1303 -0.5095 -0.5090 -0.0671 -0.0671 2.7605 2.7609 6.0795 6.0817 8.3542 8.3599 8.7017 8.7196 8.9898 8.9941 9.1858 9.2254 9.4904 9.5247 9.8766 9.8791 10.0727 10.0856 10.6291 10.6316 12.0576 12.0764 12.4638 12.4770 12.6483 12.6515 12.7754 12.7773 13.3892 13.3913 13.4235 13.4300 k = 0.0000 0.0000 0.2260 ( 4948 PWs) bands (ev): -50.6704 -50.6704 -50.6703 -50.6703 -24.9906 -24.9906 -24.9902 -24.9902 -17.2962 -17.2962 -17.2933 -17.2933 -17.2477 -17.2477 -17.2475 -17.2475 -3.6573 -3.6573 -3.5888 -3.5888 -3.2192 -3.2192 -3.1446 -3.1446 -3.1303 -3.1303 -0.5106 -0.5106 -0.0686 -0.0686 2.7600 2.7600 6.0792 6.0792 8.4031 8.4031 8.6862 8.6862 8.9771 8.9771 9.2069 9.2069 9.5145 9.5145 9.9006 9.9006 10.0645 10.0645 10.6130 10.6130 12.0743 12.0743 12.4819 12.4819 12.6393 12.6393 12.7781 12.7781 13.3926 13.3926 13.4330 13.4330 k = 0.0000 0.5000-0.0000 ( 4948 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3335 -17.3335 -17.3027 -17.3027 -17.2796 -17.2796 -17.2496 -17.2496 -3.6687 -3.6687 -3.5721 -3.5721 -3.2318 -3.2318 -3.1369 -3.1369 -3.1105 -3.1105 0.9907 0.9907 1.9527 1.9527 2.1896 2.1896 3.4354 3.4354 6.0483 6.0483 6.4198 6.4198 9.4626 9.4626 9.7474 9.7474 9.8536 9.8536 9.9834 9.9834 10.0362 10.0362 10.7921 10.7921 10.8527 10.8527 11.8276 11.8276 13.0897 13.0897 13.2219 13.2219 13.8024 13.8024 14.0626 14.0626 k = 0.0000 0.5000 0.0119 ( 4948 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3335 -17.3335 -17.3027 -17.3027 -17.2796 -17.2796 -17.2496 -17.2496 -3.6687 -3.6687 -3.5721 -3.5721 -3.2318 -3.2318 -3.1369 -3.1369 -3.1105 -3.1105 0.9911 0.9911 1.9532 1.9532 2.1885 2.1885 3.4337 3.4337 6.0517 6.0517 6.4235 6.4235 9.4427 9.4427 9.7466 9.7466 9.8525 9.8525 9.9886 9.9886 10.0393 10.0393 10.7941 10.7941 10.8540 10.8540 11.8298 11.8298 13.0936 13.0936 13.2253 13.2253 13.8055 13.8055 14.0675 14.0675 k = 0.0000 0.5000 0.0238 ( 4946 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9974 -24.9974 -17.3335 -17.3335 -17.3027 -17.3027 -17.2796 -17.2796 -17.2496 -17.2496 -3.6687 -3.6687 -3.5721 -3.5721 -3.2317 -3.2317 -3.1368 -3.1368 -3.1105 -3.1105 0.9924 0.9924 1.9548 1.9548 2.1853 2.1853 3.4287 3.4287 6.0620 6.0620 6.4345 6.4345 9.3896 9.3896 9.7404 9.7404 9.8484 9.8484 9.9959 9.9959 10.0556 10.0556 10.7997 10.7997 10.8580 10.8580 11.8363 11.8363 13.1051 13.1051 13.2353 13.2353 13.8149 13.8149 14.0823 14.0823 k = 0.0000 0.5000 0.0357 ( 4928 PWs) bands (ev): -50.6692 -50.6692 -50.6692 -50.6692 -24.9977 -24.9977 -24.9974 -24.9974 -17.3335 -17.3335 -17.3027 -17.3027 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5720 -3.5720 -3.2317 -3.2317 -3.1367 -3.1367 -3.1105 -3.1105 0.9945 0.9945 1.9573 1.9573 2.1801 2.1801 3.4205 3.4205 6.0789 6.0789 6.4527 6.4527 9.3148 9.3148 9.7235 9.7235 9.8404 9.8404 9.9949 9.9949 10.0910 10.0910 10.8080 10.8080 10.8652 10.8652 11.8471 11.8471 13.1240 13.1240 13.2514 13.2514 13.8305 13.8305 14.1061 14.1061 k = 0.0000 0.5000 0.0476 ( 4936 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9977 -24.9977 -24.9974 -24.9974 -17.3335 -17.3335 -17.3027 -17.3027 -17.2796 -17.2796 -17.2496 -17.2496 -3.6687 -3.6687 -3.5720 -3.5720 -3.2318 -3.2318 -3.1368 -3.1368 -3.1105 -3.1105 0.9974 0.9974 1.9608 1.9608 2.1730 2.1730 3.4094 3.4094 6.1024 6.1024 6.4777 6.4777 9.2269 9.2269 9.6942 9.6942 9.8292 9.8292 9.9887 9.9887 10.1371 10.1371 10.8173 10.8173 10.8767 10.8767 11.8618 11.8618 13.1495 13.1495 13.2727 13.2727 13.8521 13.8521 14.1372 14.1372 k = 0.0000 0.5000 0.0595 ( 4932 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9977 -24.9977 -24.9974 -24.9974 -17.3335 -17.3335 -17.3027 -17.3027 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5720 -3.5720 -3.2318 -3.2318 -3.1367 -3.1367 -3.1104 -3.1104 1.0010 1.0010 1.9652 1.9652 2.1642 2.1642 3.3957 3.3957 6.1321 6.1321 6.5091 6.5091 9.1308 9.1308 9.6528 9.6528 9.8160 9.8160 9.9808 9.9808 10.1863 10.1863 10.8257 10.8257 10.8934 10.8934 11.8802 11.8802 13.1810 13.1810 13.2983 13.2983 13.8792 13.8792 14.1687 14.1687 k = 0.0000 0.5000 0.0714 ( 4932 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9977 -24.9977 -24.9974 -24.9974 -17.3335 -17.3335 -17.3027 -17.3027 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5720 -3.5720 -3.2318 -3.2318 -3.1368 -3.1368 -3.1104 -3.1104 1.0053 1.0053 1.9704 1.9704 2.1539 2.1539 3.3798 3.3798 6.1678 6.1678 6.5462 6.5462 9.0295 9.0295 9.6008 9.6008 9.8018 9.8018 9.9726 9.9726 10.2346 10.2346 10.8323 10.8323 10.9154 10.9154 11.9018 11.9018 13.2174 13.2174 13.3272 13.3272 13.9109 13.9109 14.1710 14.1710 k = 0.0000 0.5000 0.0832 ( 4944 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9974 -24.9974 -17.3336 -17.3336 -17.3027 -17.3027 -17.2796 -17.2796 -17.2496 -17.2496 -3.6687 -3.6687 -3.5721 -3.5721 -3.2318 -3.2318 -3.1368 -3.1368 -3.1105 -3.1105 1.0101 1.0101 1.9763 1.9763 2.1424 2.1424 3.3623 3.3623 6.2089 6.2089 6.5885 6.5885 8.9251 8.9251 9.5402 9.5402 9.7872 9.7872 9.9645 9.9645 10.2802 10.2802 10.8369 10.8369 10.9417 10.9417 11.9264 11.9264 13.2571 13.2571 13.3584 13.3584 13.9442 13.9442 14.1321 14.1321 k = 0.0000 0.5000 0.0951 ( 4956 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3336 -17.3336 -17.3028 -17.3028 -17.2796 -17.2796 -17.2496 -17.2496 -3.6688 -3.6688 -3.5721 -3.5721 -3.2318 -3.2318 -3.1369 -3.1369 -3.1105 -3.1105 1.0154 1.0154 1.9827 1.9827 2.1301 2.1301 3.3434 3.3434 6.2550 6.2550 6.6350 6.6350 8.8190 8.8190 9.4729 9.4729 9.7727 9.7727 9.9568 9.9568 10.3220 10.3220 10.8400 10.8400 10.9711 10.9711 11.9532 11.9532 13.2987 13.2987 13.3910 13.3910 13.9671 13.9671 14.0958 14.0958 k = 0.0000 0.5000 0.1070 ( 4962 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9979 -24.9979 -24.9975 -24.9975 -17.3337 -17.3337 -17.3028 -17.3028 -17.2796 -17.2796 -17.2496 -17.2496 -3.6688 -3.6688 -3.5721 -3.5721 -3.2318 -3.2318 -3.1369 -3.1369 -3.1106 -3.1106 1.0210 1.0210 1.9895 1.9895 2.1172 2.1172 3.3239 3.3239 6.3054 6.3054 6.6850 6.6850 8.7127 8.7127 9.4012 9.4012 9.7584 9.7584 9.9495 9.9495 10.3597 10.3597 10.8420 10.8420 11.0023 11.0023 11.9818 11.9818 13.3403 13.3403 13.4246 13.4246 13.9518 13.9518 14.1001 14.1001 k = 0.0000 0.5000 0.1189 ( 4958 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3028 -17.3028 -17.2796 -17.2796 -17.2496 -17.2496 -3.6687 -3.6687 -3.5721 -3.5721 -3.2318 -3.2318 -3.1369 -3.1369 -3.1106 -3.1106 1.0268 1.0268 1.9966 1.9966 2.1040 2.1040 3.3042 3.3042 6.3594 6.3594 6.7373 6.7373 8.6072 8.6072 9.3269 9.3269 9.7447 9.7447 9.9426 9.9426 10.3930 10.3930 10.8430 10.8430 11.0344 11.0344 12.0116 12.0116 13.3797 13.3797 13.4586 13.4586 13.9061 13.9061 14.1396 14.1396 k = 0.0000 0.5000 0.1308 ( 4954 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3028 -17.3028 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5721 -3.5721 -3.2318 -3.2318 -3.1369 -3.1369 -3.1105 -3.1105 1.0326 1.0326 2.0037 2.0037 2.0911 2.0911 3.2848 3.2848 6.4162 6.4162 6.7909 6.7909 8.5040 8.5040 9.2522 9.2522 9.7319 9.7319 9.9361 9.9361 10.4222 10.4222 10.8434 10.8434 11.0664 11.0664 12.0417 12.0417 13.4147 13.4147 13.4926 13.4926 13.8544 13.8544 14.1892 14.1892 k = 0.0000 0.5000 0.1427 ( 4946 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9974 -24.9974 -17.3336 -17.3336 -17.3028 -17.3028 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5721 -3.5721 -3.2318 -3.2318 -3.1368 -3.1368 -3.1105 -3.1105 1.0383 1.0383 2.0106 2.0106 2.0786 2.0786 3.2662 3.2662 6.4745 6.4745 6.8444 6.8444 8.4043 8.4043 9.1789 9.1789 9.7201 9.7201 9.9302 9.9302 10.4472 10.4472 10.8432 10.8432 11.0974 11.0974 12.0715 12.0715 13.4435 13.4435 13.5260 13.5260 13.8058 13.8058 14.2332 14.2332 k = 0.0000 0.5000 0.1546 ( 4948 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3028 -17.3028 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5721 -3.5721 -3.2317 -3.2317 -3.1368 -3.1368 -3.1106 -3.1106 1.0436 1.0436 2.0172 2.0172 2.0669 2.0669 3.2490 3.2490 6.5330 6.5330 6.8963 6.8963 8.3097 8.3097 9.1089 9.1089 9.7096 9.7096 9.9249 9.9249 10.4683 10.4683 10.8428 10.8428 11.1264 11.1264 12.1000 12.1000 13.4646 13.4646 13.5576 13.5576 13.7641 13.7641 14.2386 14.2386 k = 0.0000 0.5000 0.1665 ( 4956 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3029 -17.3029 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5722 -3.5722 -3.2318 -3.2318 -3.1369 -3.1369 -3.1106 -3.1106 1.0485 1.0485 2.0232 2.0232 2.0565 2.0565 3.2335 3.2335 6.5899 6.5899 6.9450 6.9450 8.2221 8.2221 9.0444 9.0444 9.7004 9.7004 9.9203 9.9203 10.4857 10.4857 10.8422 10.8422 11.1528 11.1528 12.1264 12.1264 13.4770 13.4770 13.5861 13.5861 13.7322 13.7322 14.2037 14.2037 k = 0.0000 0.5000 0.1784 ( 4956 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3029 -17.3029 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5722 -3.5722 -3.2318 -3.2318 -3.1369 -3.1369 -3.1106 -3.1106 1.0528 1.0528 2.0283 2.0283 2.0476 2.0476 3.2203 3.2203 6.6429 6.6429 6.9885 6.9885 8.1439 8.1439 8.9875 8.9875 9.6927 9.6927 9.9165 9.9165 10.4996 10.4996 10.8416 10.8416 11.1756 11.1756 12.1497 12.1497 13.4806 13.4806 13.6101 13.6101 13.7114 13.7114 14.1642 14.1642 k = 0.0000 0.5000 0.1903 ( 4956 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3029 -17.3029 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5722 -3.5722 -3.2318 -3.2318 -3.1369 -3.1369 -3.1106 -3.1106 1.0563 1.0563 2.0321 2.0321 2.0408 2.0408 3.2095 3.2095 6.6894 6.6894 7.0252 7.0252 8.0779 8.0779 8.9402 8.9402 9.6867 9.6867 9.9134 9.9134 10.5102 10.5102 10.8410 10.8410 11.1943 11.1943 12.1690 12.1690 13.4777 13.4777 13.6289 13.6289 13.7007 13.7007 14.1303 14.1303 k = 0.0000 0.5000 0.2022 ( 4952 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3029 -17.3029 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5721 -3.5721 -3.2317 -3.2317 -3.1369 -3.1369 -3.1106 -3.1106 1.0589 1.0589 2.0325 2.0325 2.0382 2.0382 3.2017 3.2017 6.7261 6.7261 7.0530 7.0530 8.0273 8.0273 8.9047 8.9047 9.6823 9.6823 9.9111 9.9111 10.5177 10.5177 10.8405 10.8405 11.2081 11.2081 12.1835 12.1835 13.4718 13.4718 13.6418 13.6418 13.6971 13.6971 14.1049 14.1049 k = 0.0000 0.5000 0.2141 ( 4960 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3029 -17.3029 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5722 -3.5722 -3.2318 -3.2318 -3.1369 -3.1369 -3.1106 -3.1106 1.0605 1.0605 2.0302 2.0302 2.0392 2.0392 3.1969 3.1969 6.7498 6.7498 7.0704 7.0704 7.9952 7.9952 8.8826 8.8826 9.6797 9.6797 9.9098 9.9098 10.5221 10.5221 10.8401 10.8401 11.2166 11.2166 12.1925 12.1925 13.4668 13.4668 13.6492 13.6492 13.6968 13.6968 14.0892 14.0892 k = 0.0000 0.5000 0.2260 ( 4956 PWs) bands (ev): -50.6693 -50.6693 -50.6692 -50.6692 -24.9978 -24.9978 -24.9975 -24.9975 -17.3337 -17.3337 -17.3029 -17.3029 -17.2795 -17.2795 -17.2495 -17.2495 -3.6687 -3.6687 -3.5722 -3.5722 -3.2317 -3.2317 -3.1369 -3.1369 -3.1106 -3.1106 1.0611 1.0611 2.0293 2.0293 2.0397 2.0397 3.1952 3.1952 6.7581 6.7581 7.0763 7.0763 7.9842 7.9842 8.8751 8.8751 9.6788 9.6788 9.9093 9.9093 10.5236 10.5236 10.8400 10.8400 11.2195 11.2195 12.1956 12.1956 13.4648 13.4648 13.6515 13.6515 13.6970 13.6970 14.0839 14.0839 k = 0.5000 0.5000-0.0000 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0046 -25.0046 -17.3296 -17.3296 -17.3273 -17.3273 -17.2900 -17.2900 -17.2879 -17.2879 -3.7005 -3.7005 -3.5648 -3.5648 -3.2525 -3.2525 -3.1334 -3.1334 -3.0982 -3.0982 2.4824 2.4824 2.5937 2.5937 2.5983 2.5983 5.5901 5.5901 6.0136 6.0136 6.2039 6.2039 6.7039 6.7039 6.7309 6.7309 8.5340 8.5340 8.6616 8.6616 8.7370 8.7370 9.6322 9.6322 9.7284 9.7284 10.3939 10.3939 14.0871 14.0871 14.1162 14.1162 14.7189 14.7189 14.7257 14.7257 k = 0.5000 0.5000 0.0119 ( 5000 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3296 -17.3296 -17.3273 -17.3273 -17.2900 -17.2900 -17.2879 -17.2879 -3.7005 -3.7005 -3.5648 -3.5648 -3.2525 -3.2525 -3.1333 -3.1333 -3.0982 -3.0982 2.4824 2.4824 2.5939 2.5939 2.5986 2.5986 5.5900 5.5900 6.0111 6.0111 6.2012 6.2012 6.7039 6.7039 6.7310 6.7310 8.5362 8.5362 8.6664 8.6664 8.7404 8.7404 9.6328 9.6328 9.7282 9.7282 10.3935 10.3935 14.0860 14.0860 14.1151 14.1151 14.7165 14.7165 14.7261 14.7261 k = 0.5000 0.5000 0.0238 ( 5000 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3295 -17.3295 -17.3273 -17.3273 -17.2900 -17.2900 -17.2879 -17.2879 -3.7005 -3.7005 -3.5648 -3.5648 -3.2525 -3.2525 -3.1333 -3.1333 -3.0982 -3.0982 2.4824 2.4824 2.5948 2.5948 2.5993 2.5993 5.5900 5.5900 6.0039 6.0039 6.1934 6.1934 6.7039 6.7039 6.7312 6.7312 8.5422 8.5422 8.6806 8.6806 8.7506 8.7506 9.6346 9.6346 9.7276 9.7276 10.3922 10.3922 14.0826 14.0826 14.1117 14.1117 14.7101 14.7101 14.7260 14.7260 k = 0.5000 0.5000 0.0357 ( 4992 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3295 -17.3295 -17.3273 -17.3273 -17.2899 -17.2899 -17.2879 -17.2879 -3.7005 -3.7005 -3.5648 -3.5648 -3.2525 -3.2525 -3.1333 -3.1333 -3.0982 -3.0982 2.4824 2.4824 2.5962 2.5962 2.6005 2.6005 5.5898 5.5898 5.9923 5.9923 6.1807 6.1807 6.7040 6.7040 6.7316 6.7316 8.5513 8.5513 8.7038 8.7038 8.7682 8.7682 9.6377 9.6377 9.7267 9.7267 10.3901 10.3901 14.0766 14.0766 14.1055 14.1055 14.6988 14.6988 14.7242 14.7242 k = 0.5000 0.5000 0.0476 ( 5004 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3295 -17.3295 -17.3274 -17.3274 -17.2900 -17.2900 -17.2880 -17.2880 -3.7005 -3.7005 -3.5648 -3.5648 -3.2525 -3.2525 -3.1334 -3.1334 -3.0983 -3.0983 2.4824 2.4824 2.5980 2.5980 2.6021 2.6021 5.5897 5.5897 5.9767 5.9767 6.1637 6.1637 6.7040 6.7040 6.7320 6.7320 8.5622 8.5622 8.7353 8.7353 8.7935 8.7935 9.6420 9.6420 9.7257 9.7257 10.3872 10.3872 14.0670 14.0670 14.0958 14.0958 14.6795 14.6795 14.7196 14.7196 k = 0.5000 0.5000 0.0595 ( 5012 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0046 -25.0046 -17.3295 -17.3295 -17.3274 -17.3274 -17.2900 -17.2900 -17.2881 -17.2881 -3.7005 -3.7005 -3.5649 -3.5649 -3.2525 -3.2525 -3.1334 -3.1334 -3.0983 -3.0983 2.4823 2.4823 2.6003 2.6003 2.6041 2.6041 5.5894 5.5894 5.9577 5.9577 6.1431 6.1431 6.7040 6.7040 6.7325 6.7325 8.5738 8.5738 8.7742 8.7742 8.8265 8.8265 9.6475 9.6475 9.7249 9.7249 10.3835 10.3835 14.0525 14.0525 14.0808 14.0808 14.6453 14.6453 14.7083 14.7083 k = 0.5000 0.5000 0.0714 ( 4996 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3294 -17.3294 -17.3274 -17.3274 -17.2899 -17.2899 -17.2881 -17.2881 -3.7004 -3.7004 -3.5648 -3.5648 -3.2524 -3.2524 -3.1334 -3.1334 -3.0983 -3.0983 2.4823 2.4823 2.6031 2.6031 2.6064 2.6064 5.5892 5.5892 5.9361 5.9361 6.1197 6.1197 6.7040 6.7040 6.7330 6.7330 8.5853 8.5853 8.8193 8.8193 8.8667 8.8667 9.6541 9.6541 9.7245 9.7245 10.3793 10.3793 14.0307 14.0307 14.0582 14.0582 14.5884 14.5884 14.6753 14.6753 k = 0.5000 0.5000 0.0832 ( 4968 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0043 -25.0043 -25.0043 -25.0043 -17.3292 -17.3292 -17.3273 -17.3273 -17.2898 -17.2898 -17.2880 -17.2880 -3.7004 -3.7004 -3.5647 -3.5647 -3.2524 -3.2524 -3.1333 -3.1333 -3.0982 -3.0982 2.4822 2.4822 2.6061 2.6061 2.6090 2.6090 5.5889 5.5889 5.9125 5.9125 6.0943 6.0943 6.7040 6.7040 6.7335 6.7335 8.5963 8.5963 8.8696 8.8696 8.9130 8.9130 9.6617 9.6617 9.7250 9.7250 10.3744 10.3744 13.9980 13.9980 14.0238 14.0238 14.5108 14.5108 14.5970 14.5970 k = 0.5000 0.5000 0.0951 ( 4992 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3293 -17.3293 -17.3275 -17.3275 -17.2898 -17.2898 -17.2881 -17.2881 -3.7004 -3.7004 -3.5648 -3.5648 -3.2524 -3.2524 -3.1334 -3.1334 -3.0982 -3.0982 2.4822 2.4822 2.6094 2.6094 2.6118 2.6118 5.5886 5.5886 5.8877 5.8877 6.0677 6.0677 6.7041 6.7041 6.7340 6.7340 8.6067 8.6067 8.9234 8.9234 8.9637 8.9637 9.6702 9.6702 9.7269 9.7269 10.3692 10.3692 13.9497 13.9497 13.9724 13.9724 14.4296 14.4296 14.5032 14.5032 k = 0.5000 0.5000 0.1070 ( 5000 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3292 -17.3292 -17.3276 -17.3276 -17.2898 -17.2898 -17.2882 -17.2882 -3.7004 -3.7004 -3.5649 -3.5649 -3.2524 -3.2524 -3.1335 -3.1335 -3.0983 -3.0983 2.4821 2.4821 2.6128 2.6128 2.6148 2.6148 5.5882 5.5882 5.8625 5.8625 6.0408 6.0408 6.7041 6.7041 6.7345 6.7345 8.6164 8.6164 8.9794 8.9794 9.0169 9.0169 9.6796 9.6796 9.7309 9.7309 10.3636 10.3636 13.8826 13.8826 13.9007 13.9007 14.3610 14.3610 14.4243 14.4243 k = 0.5000 0.5000 0.1189 ( 4972 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0044 -25.0044 -25.0044 -25.0044 -17.3291 -17.3291 -17.3275 -17.3275 -17.2897 -17.2897 -17.2881 -17.2881 -3.7004 -3.7004 -3.5648 -3.5648 -3.2524 -3.2524 -3.1333 -3.1333 -3.0982 -3.0982 2.4821 2.4821 2.6162 2.6162 2.6179 2.6179 5.5879 5.5879 5.8376 5.8376 6.0141 6.0141 6.7041 6.7041 6.7349 6.7349 8.6256 8.6256 9.0358 9.0358 9.0706 9.0706 9.6898 9.6898 9.7375 9.7375 10.3579 10.3579 13.7977 13.7977 13.8110 13.8110 14.3110 14.3110 14.3668 14.3668 k = 0.5000 0.5000 0.1308 ( 4988 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3291 -17.3291 -17.3276 -17.3276 -17.2897 -17.2897 -17.2882 -17.2882 -3.7004 -3.7004 -3.5648 -3.5648 -3.2524 -3.2524 -3.1334 -3.1334 -3.0982 -3.0982 2.4820 2.4820 2.6196 2.6196 2.6210 2.6210 5.5875 5.5875 5.8135 5.8135 5.9885 5.9885 6.7041 6.7041 6.7353 6.7353 8.6341 8.6341 9.0911 9.0911 9.1227 9.1227 9.7011 9.7011 9.7469 9.7469 10.3521 10.3521 13.7011 13.7011 13.7109 13.7109 14.2770 14.2770 14.3277 14.3277 k = 0.5000 0.5000 0.1427 ( 4996 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3291 -17.3291 -17.3277 -17.3277 -17.2897 -17.2897 -17.2883 -17.2883 -3.7005 -3.7005 -3.5649 -3.5649 -3.2524 -3.2524 -3.1335 -3.1335 -3.0983 -3.0983 2.4820 2.4820 2.6228 2.6228 2.6240 2.6240 5.5871 5.5871 5.7910 5.7910 5.9646 5.9646 6.7041 6.7041 6.7356 6.7356 8.6419 8.6419 9.1435 9.1435 9.1711 9.1711 9.7138 9.7138 9.7591 9.7591 10.3465 10.3465 13.6003 13.6003 13.6085 13.6085 14.2543 14.2543 14.3016 14.3016 k = 0.5000 0.5000 0.1546 ( 4996 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3290 -17.3290 -17.3278 -17.3278 -17.2896 -17.2896 -17.2884 -17.2884 -3.7005 -3.7005 -3.5649 -3.5649 -3.2524 -3.2524 -3.1335 -3.1335 -3.0983 -3.0983 2.4819 2.4819 2.6257 2.6257 2.6270 2.6270 5.5867 5.5867 5.7705 5.7705 5.9427 5.9427 6.7041 6.7041 6.7359 6.7359 8.6490 8.6490 9.1915 9.1915 9.2142 9.2142 9.7283 9.7283 9.7733 9.7733 10.3412 10.3412 13.5020 13.5020 13.5101 13.5101 14.2389 14.2389 14.2840 14.2840 k = 0.5000 0.5000 0.1665 ( 4992 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0045 -25.0045 -25.0045 -25.0045 -17.3289 -17.3289 -17.3278 -17.3278 -17.2895 -17.2895 -17.2884 -17.2884 -3.7005 -3.7005 -3.5649 -3.5649 -3.2524 -3.2524 -3.1335 -3.1335 -3.0982 -3.0982 2.4819 2.4819 2.6283 2.6283 2.6296 2.6296 5.5863 5.5863 5.7524 5.7524 5.9235 5.9235 6.7041 6.7041 6.7362 6.7362 8.6553 8.6553 9.2335 9.2335 9.2506 9.2506 9.7443 9.7443 9.7889 9.7889 10.3363 10.3363 13.4116 13.4116 13.4201 13.4201 14.2282 14.2282 14.2720 14.2720 k = 0.5000 0.5000 0.1784 ( 5000 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0045 -25.0045 -17.3289 -17.3289 -17.3279 -17.3279 -17.2895 -17.2895 -17.2885 -17.2885 -3.7005 -3.7005 -3.5649 -3.5649 -3.2524 -3.2524 -3.1335 -3.1335 -3.0983 -3.0983 2.4819 2.4819 2.6304 2.6304 2.6320 2.6320 5.5859 5.5859 5.7371 5.7371 5.9073 5.9073 6.7041 6.7041 6.7364 6.7364 8.6607 8.6607 9.2684 9.2684 9.2801 9.2801 9.7610 9.7610 9.8045 9.8045 10.3321 10.3321 13.3327 13.3327 13.3419 13.3419 14.2207 14.2207 14.2637 14.2637 k = 0.5000 0.5000 0.1903 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0046 -25.0046 -17.3289 -17.3289 -17.3280 -17.3280 -17.2895 -17.2895 -17.2886 -17.2886 -3.7005 -3.7005 -3.5649 -3.5649 -3.2525 -3.2525 -3.1335 -3.1335 -3.0983 -3.0983 2.4818 2.4818 2.6322 2.6322 2.6339 2.6339 5.5856 5.5856 5.7250 5.7250 5.8943 5.8943 6.7041 6.7041 6.7365 6.7365 8.6650 8.6650 9.2948 9.2948 9.3032 9.3032 9.7769 9.7769 9.8189 9.8189 10.3286 10.3286 13.2683 13.2683 13.2781 13.2781 14.2155 14.2155 14.2581 14.2581 k = 0.5000 0.5000 0.2022 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0046 -25.0046 -17.3288 -17.3288 -17.3281 -17.3281 -17.2895 -17.2895 -17.2886 -17.2886 -3.7005 -3.7005 -3.5649 -3.5649 -3.2525 -3.2525 -3.1335 -3.1335 -3.0983 -3.0983 2.4818 2.4818 2.6335 2.6335 2.6353 2.6353 5.5853 5.5853 5.7161 5.7161 5.8849 5.8849 6.7041 6.7041 6.7366 6.7366 8.6681 8.6681 9.3120 9.3120 9.3208 9.3208 9.7900 9.7900 9.8305 9.8305 10.3260 10.3260 13.2206 13.2206 13.2309 13.2309 14.2122 14.2122 14.2544 14.2544 k = 0.5000 0.5000 0.2141 ( 5008 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0046 -25.0046 -17.3288 -17.3288 -17.3281 -17.3281 -17.2895 -17.2895 -17.2886 -17.2886 -3.7005 -3.7005 -3.5649 -3.5649 -3.2525 -3.2525 -3.1335 -3.1335 -3.0983 -3.0983 2.4818 2.4818 2.6342 2.6342 2.6362 2.6362 5.5851 5.5851 5.7108 5.7108 5.8792 5.8792 6.7041 6.7041 6.7367 6.7367 8.6700 8.6700 9.3214 9.3214 9.3320 9.3320 9.7987 9.7987 9.8381 9.8381 10.3244 10.3244 13.1914 13.1914 13.2019 13.2019 14.2103 14.2103 14.2523 14.2523 k = 0.5000 0.5000 0.2260 ( 5000 PWs) bands (ev): -50.6681 -50.6681 -50.6681 -50.6681 -25.0046 -25.0046 -25.0045 -25.0045 -17.3287 -17.3287 -17.3281 -17.3281 -17.2894 -17.2894 -17.2886 -17.2886 -3.7004 -3.7004 -3.5649 -3.5649 -3.2524 -3.2524 -3.1335 -3.1335 -3.0983 -3.0983 2.4818 2.4818 2.6345 2.6345 2.6365 2.6365 5.5851 5.5851 5.7090 5.7090 5.8772 5.8772 6.7041 6.7041 6.7367 6.7367 8.6707 8.6707 9.3244 9.3244 9.3358 9.3358 9.8018 9.8018 9.8407 9.8407 10.3239 10.3239 13.1815 13.1815 13.1921 13.1921 14.2096 14.2096 14.2516 14.2516 Writing output data file Hf2GaSb3.save init_run : 3.74s CPU 13.76s WALL ( 1 calls) electrons : 1032.04s CPU 1040.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 1032.01s CPU 1040.34s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.92s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.58s WALL ( 1 calls) newd : 0.68s CPU 0.82s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.16s WALL ( 344 calls) cegterg : 978.07s CPU 984.03s WALL ( 731 calls) Called by sum_band: Called by *egterg: h_psi : 398.64s CPU 407.35s WALL ( 13452 calls) s_psi : 65.01s CPU 65.38s WALL ( 13452 calls) g_psi : 0.96s CPU 1.06s WALL ( 12377 calls) cdiaghg : 376.17s CPU 373.68s WALL ( 12721 calls) cegterg:over : 87.80s CPU 84.47s WALL ( 12377 calls) cegterg:upda : 22.49s CPU 26.02s WALL ( 12377 calls) cegterg:last : 18.43s CPU 19.14s WALL ( 2107 calls) Called by h_psi: h_psi:vloc : 280.72s CPU 287.69s WALL ( 13452 calls) h_psi:vnl : 117.51s CPU 118.60s WALL ( 13452 calls) add_vuspsi : 46.44s CPU 50.54s WALL ( 13452 calls) General routines calbec : 71.02s CPU 67.97s WALL ( 13452 calls) fft : 0.34s CPU 1.39s WALL ( 19 calls) ffts : 0.00s CPU 0.07s WALL ( 4 calls) fftw : 268.90s CPU 274.67s WALL ( 1563392 calls) interpolate : 0.11s CPU 0.18s WALL ( 4 calls) davcio : 0.05s CPU 1.65s WALL ( 688 calls) Parallel routines fft_scatter : 178.63s CPU 183.93s WALL ( 1563415 calls) PWSCF : 18m24.39s CPU 20m51.85s WALL This run was terminated on: 19:21:28 18Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=