Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:40:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaNiGe.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 25 7 1667 909 147 Max 38 26 8 1678 934 152 Sum 1361 925 277 60225 33139 5401 bravais-lattice index = 14 lattice parameter (alat) = 7.9244 a.u. unit-cell volume = 786.3360 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.924396 celldm(2)= 1.000000 celldm(3)= 1.580191 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.580191 ) 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 0.632835 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) Ni 10.00 58.69340 Ni( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] 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 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0029499 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0029499 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0029499 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0029499 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0029499 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0029499 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0029499 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0029499 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0029499 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0029499 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0029499 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0029499 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0029499 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0029499 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0029499 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0029499 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0029499 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0029499 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0029499 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0029499 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0029499 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0029499 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0029499 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0029499 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0029499 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0029499 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0029499 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0029499 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0029499 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0029499 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0029499 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0029499 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0029499 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0029499 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0029499 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0029499 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0029499 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029499 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029499 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0029499 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0029499 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0029499 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0029499 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0029499 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0029499 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0029499 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0029499 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0029499 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0029499 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0029499 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0029499 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0029499 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0029499 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0029499 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0029499 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0029499 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0029499 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029499 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0029499 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0029499 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0029499 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0029499 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0029499 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0029499 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0029499 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0029499 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0029499 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0029499 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0029499 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0029499 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0029499 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0029499 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0029499 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0029499 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0029499 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0029499 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029499 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029499 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0029499 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0029499 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0029499 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0029499 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0029499 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0029499 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0029499 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0029499 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0029499 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0029499 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0029499 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0029499 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0029499 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0029499 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0029499 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0029499 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0029499 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0029499 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0029499 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0029499 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0029499 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0029499 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0029499 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0029499 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0029499 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0029499 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0029499 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0029499 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0029499 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0029499 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0029499 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0029499 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0029499 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0029499 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0029499 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0029499 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0029499 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0029499 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0029499 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0029499 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0029499 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0029499 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0029499 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0029499 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0029499 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0029499 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0029499 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0029499 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0029499 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0029499 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0029499 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0029499 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 134) = ( 0.0000000 0.0000000 0.0131841), wk = 0.0029499 k( 135) = ( 0.0000000 0.0000000 0.0263681), wk = 0.0029499 k( 136) = ( 0.0000000 0.0000000 0.0395522), wk = 0.0029499 k( 137) = ( 0.0000000 0.0000000 0.0527362), wk = 0.0029499 k( 138) = ( 0.0000000 0.0000000 0.0659203), wk = 0.0029499 k( 139) = ( 0.0000000 0.0000000 0.0791043), wk = 0.0029499 k( 140) = ( 0.0000000 0.0000000 0.0922884), wk = 0.0029499 k( 141) = ( 0.0000000 0.0000000 0.1054725), wk = 0.0029499 k( 142) = ( 0.0000000 0.0000000 0.1186565), wk = 0.0029499 k( 143) = ( 0.0000000 0.0000000 0.1318406), wk = 0.0029499 k( 144) = ( 0.0000000 0.0000000 0.1450246), wk = 0.0029499 k( 145) = ( 0.0000000 0.0000000 0.1582087), wk = 0.0029499 k( 146) = ( 0.0000000 0.0000000 0.1713927), wk = 0.0029499 k( 147) = ( 0.0000000 0.0000000 0.1845768), wk = 0.0029499 k( 148) = ( 0.0000000 0.0000000 0.1977609), wk = 0.0029499 k( 149) = ( 0.0000000 0.0000000 0.2109449), wk = 0.0029499 k( 150) = ( 0.0000000 0.0000000 0.2241290), wk = 0.0029499 k( 151) = ( 0.0000000 0.0000000 0.2373130), wk = 0.0029499 k( 152) = ( 0.0000000 0.0000000 0.2504971), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.2636812), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.2768652), wk = 0.0029499 k( 155) = ( 0.0000000 0.0000000 0.2900493), wk = 0.0029499 k( 156) = ( 0.0000000 0.0000000 0.3032333), wk = 0.0029499 k( 157) = ( 0.0000000 0.0000000 0.3164174), wk = 0.0029499 k( 158) = ( 0.0000000 0.0000000 0.3164174), wk = 0.0029499 k( 159) = ( 0.0000000 0.0131579 0.3164174), wk = 0.0029499 k( 160) = ( 0.0000000 0.0263158 0.3164174), wk = 0.0029499 k( 161) = ( 0.0000000 0.0394737 0.3164174), wk = 0.0029499 k( 162) = ( 0.0000000 0.0526316 0.3164174), wk = 0.0029499 k( 163) = ( 0.0000000 0.0657895 0.3164174), wk = 0.0029499 k( 164) = ( 0.0000000 0.0789474 0.3164174), wk = 0.0029499 k( 165) = ( 0.0000000 0.0921053 0.3164174), wk = 0.0029499 k( 166) = ( 0.0000000 0.1052632 0.3164174), wk = 0.0029499 k( 167) = ( 0.0000000 0.1184210 0.3164174), wk = 0.0029499 k( 168) = ( 0.0000000 0.1315790 0.3164174), wk = 0.0029499 k( 169) = ( 0.0000000 0.1447368 0.3164174), wk = 0.0029499 k( 170) = ( 0.0000000 0.1578947 0.3164174), wk = 0.0029499 k( 171) = ( 0.0000000 0.1710526 0.3164174), wk = 0.0029499 k( 172) = ( 0.0000000 0.1842105 0.3164174), wk = 0.0029499 k( 173) = ( 0.0000000 0.1973684 0.3164174), wk = 0.0029499 k( 174) = ( 0.0000000 0.2105263 0.3164174), wk = 0.0029499 k( 175) = ( 0.0000000 0.2236842 0.3164174), wk = 0.0029499 k( 176) = ( 0.0000000 0.2368421 0.3164174), wk = 0.0029499 k( 177) = ( 0.0000000 0.2500000 0.3164174), wk = 0.0029499 k( 178) = ( 0.0000000 0.2631579 0.3164174), wk = 0.0029499 k( 179) = ( 0.0000000 0.2763158 0.3164174), wk = 0.0029499 k( 180) = ( 0.0000000 0.2894737 0.3164174), wk = 0.0029499 k( 181) = ( 0.0000000 0.3026316 0.3164174), wk = 0.0029499 k( 182) = ( 0.0000000 0.3157895 0.3164174), wk = 0.0029499 k( 183) = ( 0.0000000 0.3289474 0.3164174), wk = 0.0029499 k( 184) = ( 0.0000000 0.3421053 0.3164174), wk = 0.0029499 k( 185) = ( 0.0000000 0.3552632 0.3164174), wk = 0.0029499 k( 186) = ( 0.0000000 0.3684211 0.3164174), wk = 0.0029499 k( 187) = ( 0.0000000 0.3815789 0.3164174), wk = 0.0029499 k( 188) = ( 0.0000000 0.3947368 0.3164174), wk = 0.0029499 k( 189) = ( 0.0000000 0.4078947 0.3164174), wk = 0.0029499 k( 190) = ( 0.0000000 0.4210526 0.3164174), wk = 0.0029499 k( 191) = ( 0.0000000 0.4342105 0.3164174), wk = 0.0029499 k( 192) = ( 0.0000000 0.4473684 0.3164174), wk = 0.0029499 k( 193) = ( 0.0000000 0.4605263 0.3164174), wk = 0.0029499 k( 194) = ( 0.0000000 0.4736842 0.3164174), wk = 0.0029499 k( 195) = ( 0.0000000 0.4868421 0.3164174), wk = 0.0029499 k( 196) = ( 0.0000000 0.5000000 0.3164174), wk = 0.0029499 k( 197) = ( 0.0000000 0.5000000 0.3164174), wk = 0.0029499 k( 198) = ( 0.0131579 0.5000000 0.3164174), wk = 0.0029499 k( 199) = ( 0.0263158 0.5000000 0.3164174), wk = 0.0029499 k( 200) = ( 0.0394737 0.5000000 0.3164174), wk = 0.0029499 k( 201) = ( 0.0526316 0.5000000 0.3164174), wk = 0.0029499 k( 202) = ( 0.0657895 0.5000000 0.3164174), wk = 0.0029499 k( 203) = ( 0.0789474 0.5000000 0.3164174), wk = 0.0029499 k( 204) = ( 0.0921053 0.5000000 0.3164174), wk = 0.0029499 k( 205) = ( 0.1052632 0.5000000 0.3164174), wk = 0.0029499 k( 206) = ( 0.1184210 0.5000000 0.3164174), wk = 0.0029499 k( 207) = ( 0.1315790 0.5000000 0.3164174), wk = 0.0029499 k( 208) = ( 0.1447368 0.5000000 0.3164174), wk = 0.0029499 k( 209) = ( 0.1578947 0.5000000 0.3164174), wk = 0.0029499 k( 210) = ( 0.1710526 0.5000000 0.3164174), wk = 0.0029499 k( 211) = ( 0.1842105 0.5000000 0.3164174), wk = 0.0029499 k( 212) = ( 0.1973684 0.5000000 0.3164174), wk = 0.0029499 k( 213) = ( 0.2105263 0.5000000 0.3164174), wk = 0.0029499 k( 214) = ( 0.2236842 0.5000000 0.3164174), wk = 0.0029499 k( 215) = ( 0.2368421 0.5000000 0.3164174), wk = 0.0029499 k( 216) = ( 0.2500000 0.5000000 0.3164174), wk = 0.0029499 k( 217) = ( 0.2631579 0.5000000 0.3164174), wk = 0.0029499 k( 218) = ( 0.2763158 0.5000000 0.3164174), wk = 0.0029499 k( 219) = ( 0.2894737 0.5000000 0.3164174), wk = 0.0029499 k( 220) = ( 0.3026316 0.5000000 0.3164174), wk = 0.0029499 k( 221) = ( 0.3157895 0.5000000 0.3164174), wk = 0.0029499 k( 222) = ( 0.3289474 0.5000000 0.3164174), wk = 0.0029499 k( 223) = ( 0.3421053 0.5000000 0.3164174), wk = 0.0029499 k( 224) = ( 0.3552632 0.5000000 0.3164174), wk = 0.0029499 k( 225) = ( 0.3684211 0.5000000 0.3164174), wk = 0.0029499 k( 226) = ( 0.3815789 0.5000000 0.3164174), wk = 0.0029499 k( 227) = ( 0.3947368 0.5000000 0.3164174), wk = 0.0029499 k( 228) = ( 0.4078947 0.5000000 0.3164174), wk = 0.0029499 k( 229) = ( 0.4210526 0.5000000 0.3164174), wk = 0.0029499 k( 230) = ( 0.4342105 0.5000000 0.3164174), wk = 0.0029499 k( 231) = ( 0.4473684 0.5000000 0.3164174), wk = 0.0029499 k( 232) = ( 0.4605263 0.5000000 0.3164174), wk = 0.0029499 k( 233) = ( 0.4736842 0.5000000 0.3164174), wk = 0.0029499 k( 234) = ( 0.4868421 0.5000000 0.3164174), wk = 0.0029499 k( 235) = ( 0.5000000 0.5000000 0.3164174), wk = 0.0029499 k( 236) = ( 0.5000000 0.5000000 0.3164174), wk = 0.0029499 k( 237) = ( 0.4905660 0.4905660 0.3164174), wk = 0.0029499 k( 238) = ( 0.4811321 0.4811321 0.3164174), wk = 0.0029499 k( 239) = ( 0.4716981 0.4716981 0.3164174), wk = 0.0029499 k( 240) = ( 0.4622641 0.4622641 0.3164174), wk = 0.0029499 k( 241) = ( 0.4528302 0.4528302 0.3164174), wk = 0.0029499 k( 242) = ( 0.4433962 0.4433962 0.3164174), wk = 0.0029499 k( 243) = ( 0.4339623 0.4339623 0.3164174), wk = 0.0029499 k( 244) = ( 0.4245283 0.4245283 0.3164174), wk = 0.0029499 k( 245) = ( 0.4150943 0.4150943 0.3164174), wk = 0.0029499 k( 246) = ( 0.4056604 0.4056604 0.3164174), wk = 0.0029499 k( 247) = ( 0.3962264 0.3962264 0.3164174), wk = 0.0029499 k( 248) = ( 0.3867925 0.3867924 0.3164174), wk = 0.0029499 k( 249) = ( 0.3773585 0.3773585 0.3164174), wk = 0.0029499 k( 250) = ( 0.3679245 0.3679245 0.3164174), wk = 0.0029499 k( 251) = ( 0.3584906 0.3584906 0.3164174), wk = 0.0029499 k( 252) = ( 0.3490566 0.3490566 0.3164174), wk = 0.0029499 k( 253) = ( 0.3396226 0.3396226 0.3164174), wk = 0.0029499 k( 254) = ( 0.3301887 0.3301887 0.3164174), wk = 0.0029499 k( 255) = ( 0.3207547 0.3207547 0.3164174), wk = 0.0029499 k( 256) = ( 0.3113207 0.3113207 0.3164174), wk = 0.0029499 k( 257) = ( 0.3018868 0.3018868 0.3164174), wk = 0.0029499 k( 258) = ( 0.2924528 0.2924528 0.3164174), wk = 0.0029499 k( 259) = ( 0.2830189 0.2830189 0.3164174), wk = 0.0029499 k( 260) = ( 0.2735849 0.2735849 0.3164174), wk = 0.0029499 k( 261) = ( 0.2641509 0.2641509 0.3164174), wk = 0.0029499 k( 262) = ( 0.2547170 0.2547170 0.3164174), wk = 0.0029499 k( 263) = ( 0.2452830 0.2452830 0.3164174), wk = 0.0029499 k( 264) = ( 0.2358491 0.2358491 0.3164174), wk = 0.0029499 k( 265) = ( 0.2264151 0.2264151 0.3164174), wk = 0.0029499 k( 266) = ( 0.2169811 0.2169811 0.3164174), wk = 0.0029499 k( 267) = ( 0.2075472 0.2075472 0.3164174), wk = 0.0029499 k( 268) = ( 0.1981132 0.1981132 0.3164174), wk = 0.0029499 k( 269) = ( 0.1886792 0.1886792 0.3164174), wk = 0.0029499 k( 270) = ( 0.1792453 0.1792453 0.3164174), wk = 0.0029499 k( 271) = ( 0.1698113 0.1698113 0.3164174), wk = 0.0029499 k( 272) = ( 0.1603774 0.1603774 0.3164174), wk = 0.0029499 k( 273) = ( 0.1509434 0.1509434 0.3164174), wk = 0.0029499 k( 274) = ( 0.1415094 0.1415094 0.3164174), wk = 0.0029499 k( 275) = ( 0.1320755 0.1320755 0.3164174), wk = 0.0029499 k( 276) = ( 0.1226415 0.1226415 0.3164174), wk = 0.0029499 k( 277) = ( 0.1132076 0.1132075 0.3164174), wk = 0.0029499 k( 278) = ( 0.1037736 0.1037736 0.3164174), wk = 0.0029499 k( 279) = ( 0.0943396 0.0943396 0.3164174), wk = 0.0029499 k( 280) = ( 0.0849057 0.0849057 0.3164174), wk = 0.0029499 k( 281) = ( 0.0754717 0.0754717 0.3164174), wk = 0.0029499 k( 282) = ( 0.0660377 0.0660377 0.3164174), wk = 0.0029499 k( 283) = ( 0.0566038 0.0566038 0.3164174), wk = 0.0029499 k( 284) = ( 0.0471698 0.0471698 0.3164174), wk = 0.0029499 k( 285) = ( 0.0377359 0.0377358 0.3164174), wk = 0.0029499 k( 286) = ( 0.0283019 0.0283019 0.3164174), wk = 0.0029499 k( 287) = ( 0.0188679 0.0188679 0.3164174), wk = 0.0029499 k( 288) = ( 0.0094340 0.0094340 0.3164174), wk = 0.0029499 k( 289) = ( 0.0000000 0.0000000 0.3164174), wk = 0.0029499 k( 290) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029499 k( 291) = ( 0.0000000 0.5000000 0.0131841), wk = 0.0029499 k( 292) = ( 0.0000000 0.5000000 0.0263681), wk = 0.0029499 k( 293) = ( 0.0000000 0.5000000 0.0395522), wk = 0.0029499 k( 294) = ( 0.0000000 0.5000000 0.0527362), wk = 0.0029499 k( 295) = ( 0.0000000 0.5000000 0.0659203), wk = 0.0029499 k( 296) = ( 0.0000000 0.5000000 0.0791043), wk = 0.0029499 k( 297) = ( 0.0000000 0.5000000 0.0922884), wk = 0.0029499 k( 298) = ( 0.0000000 0.5000000 0.1054725), wk = 0.0029499 k( 299) = ( 0.0000000 0.5000000 0.1186565), wk = 0.0029499 k( 300) = ( 0.0000000 0.5000000 0.1318406), wk = 0.0029499 k( 301) = ( 0.0000000 0.5000000 0.1450246), wk = 0.0029499 k( 302) = ( 0.0000000 0.5000000 0.1582087), wk = 0.0029499 k( 303) = ( 0.0000000 0.5000000 0.1713927), wk = 0.0029499 k( 304) = ( 0.0000000 0.5000000 0.1845768), wk = 0.0029499 k( 305) = ( 0.0000000 0.5000000 0.1977609), wk = 0.0029499 k( 306) = ( 0.0000000 0.5000000 0.2109449), wk = 0.0029499 k( 307) = ( 0.0000000 0.5000000 0.2241290), wk = 0.0029499 k( 308) = ( 0.0000000 0.5000000 0.2373130), wk = 0.0029499 k( 309) = ( 0.0000000 0.5000000 0.2504971), wk = 0.0029499 k( 310) = ( 0.0000000 0.5000000 0.2636812), wk = 0.0029499 k( 311) = ( 0.0000000 0.5000000 0.2768652), wk = 0.0029499 k( 312) = ( 0.0000000 0.5000000 0.2900493), wk = 0.0029499 k( 313) = ( 0.0000000 0.5000000 0.3032333), wk = 0.0029499 k( 314) = ( 0.0000000 0.5000000 0.3164174), wk = 0.0029499 k( 315) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029499 k( 316) = ( 0.5000000 0.5000000 0.0131841), wk = 0.0029499 k( 317) = ( 0.5000000 0.5000000 0.0263681), wk = 0.0029499 k( 318) = ( 0.5000000 0.5000000 0.0395522), wk = 0.0029499 k( 319) = ( 0.5000000 0.5000000 0.0527362), wk = 0.0029499 k( 320) = ( 0.5000000 0.5000000 0.0659203), wk = 0.0029499 k( 321) = ( 0.5000000 0.5000000 0.0791043), wk = 0.0029499 k( 322) = ( 0.5000000 0.5000000 0.0922884), wk = 0.0029499 k( 323) = ( 0.5000000 0.5000000 0.1054725), wk = 0.0029499 k( 324) = ( 0.5000000 0.5000000 0.1186565), wk = 0.0029499 k( 325) = ( 0.5000000 0.5000000 0.1318406), wk = 0.0029499 k( 326) = ( 0.5000000 0.5000000 0.1450246), wk = 0.0029499 k( 327) = ( 0.5000000 0.5000000 0.1582087), wk = 0.0029499 k( 328) = ( 0.5000000 0.5000000 0.1713927), wk = 0.0029499 k( 329) = ( 0.5000000 0.5000000 0.1845768), wk = 0.0029499 k( 330) = ( 0.5000000 0.5000000 0.1977609), wk = 0.0029499 k( 331) = ( 0.5000000 0.5000000 0.2109449), wk = 0.0029499 k( 332) = ( 0.5000000 0.5000000 0.2241290), wk = 0.0029499 k( 333) = ( 0.5000000 0.5000000 0.2373130), wk = 0.0029499 k( 334) = ( 0.5000000 0.5000000 0.2504971), wk = 0.0029499 k( 335) = ( 0.5000000 0.5000000 0.2636812), wk = 0.0029499 k( 336) = ( 0.5000000 0.5000000 0.2768652), wk = 0.0029499 k( 337) = ( 0.5000000 0.5000000 0.2900493), wk = 0.0029499 k( 338) = ( 0.5000000 0.5000000 0.3032333), wk = 0.0029499 k( 339) = ( 0.5000000 0.5000000 0.3164174), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0029499 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0029499 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0029499 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0029499 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0029499 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0029499 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0029499 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0029499 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0029499 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0029499 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0029499 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0029499 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0029499 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0029499 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0029499 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0029499 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0029499 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0029499 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0029499 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0029499 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0029499 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0029499 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0029499 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0029499 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0029499 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0029499 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0029499 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0029499 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0029499 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0029499 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0029499 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0029499 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0029499 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0029499 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0029499 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0029499 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0029499 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029499 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029499 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0029499 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0029499 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0029499 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0029499 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0029499 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0029499 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0029499 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0029499 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0029499 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0029499 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0029499 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0029499 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0029499 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0029499 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0029499 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0029499 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0029499 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0029499 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0029499 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0029499 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0029499 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0029499 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0029499 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0029499 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0029499 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0029499 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0029499 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0029499 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0029499 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0029499 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0029499 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0029499 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0029499 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0029499 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0029499 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0029499 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0029499 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029499 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029499 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0029499 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0029499 k( 82) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0029499 k( 83) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0029499 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0029499 k( 85) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0029499 k( 86) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0029499 k( 87) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0029499 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0029499 k( 89) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0029499 k( 90) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0029499 k( 91) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0029499 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0029499 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0029499 k( 94) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0029499 k( 95) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0029499 k( 96) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0029499 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0029499 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0029499 k( 99) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0029499 k( 100) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0029499 k( 101) = ( 0.2924528 0.2924528 0.0000000), wk = 0.0029499 k( 102) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0029499 k( 103) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0029499 k( 104) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0029499 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0029499 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0029499 k( 107) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0029499 k( 108) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0029499 k( 109) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0029499 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0029499 k( 111) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0029499 k( 112) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0029499 k( 113) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0029499 k( 114) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0029499 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0029499 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0029499 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0029499 k( 118) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0029499 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0029499 k( 120) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0029499 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0029499 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0029499 k( 123) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0029499 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0029499 k( 125) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0029499 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0029499 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0029499 k( 128) = ( 0.0377359 0.0377359 -0.0000000), wk = 0.0029499 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0029499 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0029499 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0029499 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 134) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0029499 k( 135) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0029499 k( 136) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0029499 k( 137) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029499 k( 138) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0029499 k( 139) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029499 k( 140) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0029499 k( 141) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029499 k( 142) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0029499 k( 143) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0029499 k( 144) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0029499 k( 145) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029499 k( 146) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0029499 k( 147) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0029499 k( 148) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0029499 k( 149) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029499 k( 150) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0029499 k( 151) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029499 k( 152) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0029499 k( 155) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0029499 k( 156) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0029499 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 159) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0029499 k( 160) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0029499 k( 161) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0029499 k( 162) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0029499 k( 163) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0029499 k( 164) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0029499 k( 165) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0029499 k( 166) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0029499 k( 167) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0029499 k( 168) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0029499 k( 169) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0029499 k( 170) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0029499 k( 171) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0029499 k( 172) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0029499 k( 173) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0029499 k( 174) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0029499 k( 175) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0029499 k( 176) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0029499 k( 177) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0029499 k( 178) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0029499 k( 179) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0029499 k( 180) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0029499 k( 181) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0029499 k( 182) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0029499 k( 183) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0029499 k( 184) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0029499 k( 185) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0029499 k( 186) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0029499 k( 187) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0029499 k( 188) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0029499 k( 189) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0029499 k( 190) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0029499 k( 191) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0029499 k( 192) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0029499 k( 193) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0029499 k( 194) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0029499 k( 195) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0029499 k( 196) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029499 k( 197) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029499 k( 198) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0029499 k( 199) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0029499 k( 200) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0029499 k( 201) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0029499 k( 202) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0029499 k( 203) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0029499 k( 204) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0029499 k( 205) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0029499 k( 206) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0029499 k( 207) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0029499 k( 208) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0029499 k( 209) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0029499 k( 210) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0029499 k( 211) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0029499 k( 212) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0029499 k( 213) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0029499 k( 214) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0029499 k( 215) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0029499 k( 216) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0029499 k( 217) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0029499 k( 218) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0029499 k( 219) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0029499 k( 220) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0029499 k( 221) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0029499 k( 222) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0029499 k( 223) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0029499 k( 224) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0029499 k( 225) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0029499 k( 226) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0029499 k( 227) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0029499 k( 228) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0029499 k( 229) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0029499 k( 230) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0029499 k( 231) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0029499 k( 232) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0029499 k( 233) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0029499 k( 234) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0029499 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 237) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0029499 k( 238) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0029499 k( 239) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0029499 k( 240) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0029499 k( 241) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0029499 k( 242) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0029499 k( 243) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0029499 k( 244) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0029499 k( 245) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0029499 k( 246) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0029499 k( 247) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0029499 k( 248) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0029499 k( 249) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0029499 k( 250) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0029499 k( 251) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0029499 k( 252) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0029499 k( 253) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0029499 k( 254) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0029499 k( 255) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0029499 k( 256) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0029499 k( 257) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0029499 k( 258) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0029499 k( 259) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0029499 k( 260) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0029499 k( 261) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0029499 k( 262) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0029499 k( 263) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0029499 k( 264) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0029499 k( 265) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0029499 k( 266) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0029499 k( 267) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0029499 k( 268) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0029499 k( 269) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0029499 k( 270) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0029499 k( 271) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0029499 k( 272) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0029499 k( 273) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0029499 k( 274) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0029499 k( 275) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0029499 k( 276) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0029499 k( 277) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0029499 k( 278) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0029499 k( 279) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0029499 k( 280) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0029499 k( 281) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0029499 k( 282) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0029499 k( 283) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0029499 k( 284) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0029499 k( 285) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0029499 k( 286) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0029499 k( 287) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0029499 k( 288) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0029499 k( 289) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029499 k( 290) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029499 k( 291) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0029499 k( 292) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0029499 k( 293) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0029499 k( 294) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0029499 k( 295) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0029499 k( 296) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0029499 k( 297) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0029499 k( 298) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0029499 k( 299) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0029499 k( 300) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0029499 k( 301) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0029499 k( 302) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029499 k( 303) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0029499 k( 304) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0029499 k( 305) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0029499 k( 306) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0029499 k( 307) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0029499 k( 308) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0029499 k( 309) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0029499 k( 310) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0029499 k( 311) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0029499 k( 312) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0029499 k( 313) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0029499 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029499 k( 315) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029499 k( 316) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0029499 k( 317) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0029499 k( 318) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0029499 k( 319) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0029499 k( 320) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0029499 k( 321) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0029499 k( 322) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0029499 k( 323) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0029499 k( 324) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0029499 k( 325) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0029499 k( 326) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0029499 k( 327) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029499 k( 328) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0029499 k( 329) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0029499 k( 330) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0029499 k( 331) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0029499 k( 332) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0029499 k( 333) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0029499 k( 334) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0029499 k( 335) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0029499 k( 336) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0029499 k( 337) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0029499 k( 338) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0029499 k( 339) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 Dense grid: 60225 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 33139 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 228, 58) NL pseudopotentials 0.29 Mb ( 114, 164) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1669) G-vector shells 0.01 Mb ( 836) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 228, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaNiGe.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.7 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.5 secs Computing kpt #: 7 total cpu time spent up to now is 11.7 secs Computing kpt #: 8 total cpu time spent up to now is 12.9 secs Computing kpt #: 9 total cpu time spent up to now is 14.1 secs Computing kpt #: 10 total cpu time spent up to now is 15.3 secs Computing kpt #: 11 total cpu time spent up to now is 16.4 secs Computing kpt #: 12 total cpu time spent up to now is 17.6 secs Computing kpt #: 13 total cpu time spent up to now is 18.7 secs Computing kpt #: 14 total cpu time spent up to now is 19.8 secs Computing kpt #: 15 total cpu time spent up to now is 21.0 secs Computing kpt #: 16 total cpu time spent up to now is 22.1 secs Computing kpt #: 17 total cpu time spent up to now is 23.2 secs Computing kpt #: 18 total cpu time spent up to now is 24.3 secs Computing kpt #: 19 total cpu time spent up to now is 25.4 secs Computing kpt #: 20 total cpu time spent up to now is 26.4 secs Computing kpt #: 21 total cpu time spent up to now is 27.5 secs Computing kpt #: 22 total cpu time spent up to now is 28.6 secs Computing kpt #: 23 total cpu time spent up to now is 29.8 secs Computing kpt #: 24 total cpu time spent up to now is 32.0 secs Computing kpt #: 25 total cpu time spent up to now is 33.1 secs Computing kpt #: 26 total cpu time spent up to now is 34.4 secs Computing kpt #: 27 total cpu time spent up to now is 35.6 secs Computing kpt #: 28 total cpu time spent up to now is 37.0 secs Computing kpt #: 29 total cpu time spent up to now is 38.2 secs Computing kpt #: 30 total cpu time spent up to now is 39.4 secs Computing kpt #: 31 total cpu time spent up to now is 40.4 secs Computing kpt #: 32 total cpu time spent up to now is 41.4 secs Computing kpt #: 33 total cpu time spent up to now is 42.4 secs Computing kpt #: 34 total cpu time spent up to now is 43.4 secs Computing kpt #: 35 total cpu time spent up to now is 44.4 secs Computing kpt #: 36 total cpu time spent up to now is 45.4 secs Computing kpt #: 37 total cpu time spent up to now is 46.4 secs Computing kpt #: 38 total cpu time spent up to now is 47.4 secs Computing kpt #: 39 total cpu time spent up to now is 48.4 secs Computing kpt #: 40 total cpu time spent up to now is 49.5 secs Computing kpt #: 41 total cpu time spent up to now is 50.5 secs Computing kpt #: 42 total cpu time spent up to now is 51.6 secs Computing kpt #: 43 total cpu time spent up to now is 52.8 secs Computing kpt #: 44 total cpu time spent up to now is 53.9 secs Computing kpt #: 45 total cpu time spent up to now is 55.0 secs Computing kpt #: 46 total cpu time spent up to now is 56.0 secs Computing kpt #: 47 total cpu time spent up to now is 57.0 secs Computing kpt #: 48 total cpu time spent up to now is 58.1 secs Computing kpt #: 49 total cpu time spent up to now is 59.3 secs Computing kpt #: 50 total cpu time spent up to now is 60.4 secs Computing kpt #: 51 total cpu time spent up to now is 61.5 secs Computing kpt #: 52 total cpu time spent up to now is 62.7 secs Computing kpt #: 53 total cpu time spent up to now is 63.9 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.6 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.3 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.0 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.8 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.5 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.5 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 76.2 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.0 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 79.7 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 81.4 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 83.1 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.8 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.5 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.2 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.9 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.6 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.3 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.0 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.7 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.4 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.1 secs Computing kpt #: 75 total cpu time spent up to now is 100.9 secs Computing kpt #: 76 total cpu time spent up to now is 101.8 secs Computing kpt #: 77 total cpu time spent up to now is 102.6 secs Computing kpt #: 78 total cpu time spent up to now is 103.2 secs Computing kpt #: 79 total cpu time spent up to now is 103.8 secs Computing kpt #: 80 total cpu time spent up to now is 105.1 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.7 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.4 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.2 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.9 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.6 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.3 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.0 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.7 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.4 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.1 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.9 secs Computing kpt #: 92 total cpu time spent up to now is 125.6 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.9 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.7 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.1 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 135.8 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 137.6 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.3 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.0 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 142.8 secs Computing kpt #: 103 total cpu time spent up to now is 144.4 secs Computing kpt #: 104 total cpu time spent up to now is 146.0 secs Computing kpt #: 105 total cpu time spent up to now is 147.7 secs Computing kpt #: 106 total cpu time spent up to now is 149.2 secs Computing kpt #: 107 total cpu time spent up to now is 150.6 secs Computing kpt #: 108 total cpu time spent up to now is 152.0 secs Computing kpt #: 109 total cpu time spent up to now is 153.3 secs Computing kpt #: 110 total cpu time spent up to now is 154.7 secs Computing kpt #: 111 total cpu time spent up to now is 156.1 secs Computing kpt #: 112 total cpu time spent up to now is 157.5 secs Computing kpt #: 113 total cpu time spent up to now is 158.7 secs Computing kpt #: 114 total cpu time spent up to now is 159.9 secs Computing kpt #: 115 total cpu time spent up to now is 161.2 secs Computing kpt #: 116 total cpu time spent up to now is 162.3 secs Computing kpt #: 117 total cpu time spent up to now is 163.5 secs Computing kpt #: 118 total cpu time spent up to now is 164.7 secs Computing kpt #: 119 total cpu time spent up to now is 165.9 secs Computing kpt #: 120 total cpu time spent up to now is 167.1 secs Computing kpt #: 121 total cpu time spent up to now is 168.3 secs Computing kpt #: 122 total cpu time spent up to now is 169.5 secs Computing kpt #: 123 total cpu time spent up to now is 170.6 secs Computing kpt #: 124 total cpu time spent up to now is 171.9 secs Computing kpt #: 125 total cpu time spent up to now is 173.1 secs Computing kpt #: 126 total cpu time spent up to now is 174.7 secs Computing kpt #: 127 total cpu time spent up to now is 175.9 secs Computing kpt #: 128 total cpu time spent up to now is 177.0 secs Computing kpt #: 129 total cpu time spent up to now is 178.0 secs Computing kpt #: 130 total cpu time spent up to now is 178.9 secs Computing kpt #: 131 total cpu time spent up to now is 179.7 secs Computing kpt #: 132 total cpu time spent up to now is 180.5 secs Computing kpt #: 133 total cpu time spent up to now is 181.3 secs Computing kpt #: 134 total cpu time spent up to now is 182.2 secs Computing kpt #: 135 total cpu time spent up to now is 183.1 secs Computing kpt #: 136 total cpu time spent up to now is 184.0 secs Computing kpt #: 137 total cpu time spent up to now is 184.9 secs Computing kpt #: 138 total cpu time spent up to now is 185.8 secs Computing kpt #: 139 total cpu time spent up to now is 186.8 secs Computing kpt #: 140 total cpu time spent up to now is 188.0 secs Computing kpt #: 141 total cpu time spent up to now is 189.7 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.4 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.9 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 196.6 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.4 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 200.1 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.8 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.5 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.3 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.0 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.8 secs Computing kpt #: 153 total cpu time spent up to now is 210.3 secs Computing kpt #: 154 total cpu time spent up to now is 211.8 secs Computing kpt #: 155 total cpu time spent up to now is 213.2 secs Computing kpt #: 156 total cpu time spent up to now is 214.3 secs Computing kpt #: 157 total cpu time spent up to now is 215.7 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.3 secs Computing kpt #: 159 total cpu time spent up to now is 218.9 secs Computing kpt #: 160 total cpu time spent up to now is 220.3 secs Computing kpt #: 161 total cpu time spent up to now is 221.7 secs Computing kpt #: 162 total cpu time spent up to now is 222.9 secs Computing kpt #: 163 total cpu time spent up to now is 224.6 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.3 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.1 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.9 secs Computing kpt #: 167 total cpu time spent up to now is 231.0 secs Computing kpt #: 168 total cpu time spent up to now is 232.1 secs Computing kpt #: 169 total cpu time spent up to now is 233.1 secs Computing kpt #: 170 total cpu time spent up to now is 234.1 secs Computing kpt #: 171 total cpu time spent up to now is 235.1 secs Computing kpt #: 172 total cpu time spent up to now is 236.2 secs Computing kpt #: 173 total cpu time spent up to now is 237.4 secs Computing kpt #: 174 total cpu time spent up to now is 238.5 secs Computing kpt #: 175 total cpu time spent up to now is 239.6 secs Computing kpt #: 176 total cpu time spent up to now is 240.7 secs Computing kpt #: 177 total cpu time spent up to now is 241.8 secs Computing kpt #: 178 total cpu time spent up to now is 242.9 secs Computing kpt #: 179 total cpu time spent up to now is 244.0 secs Computing kpt #: 180 total cpu time spent up to now is 245.1 secs Computing kpt #: 181 total cpu time spent up to now is 246.4 secs Computing kpt #: 182 total cpu time spent up to now is 247.6 secs Computing kpt #: 183 total cpu time spent up to now is 248.9 secs Computing kpt #: 184 total cpu time spent up to now is 250.1 secs Computing kpt #: 185 total cpu time spent up to now is 251.2 secs Computing kpt #: 186 total cpu time spent up to now is 252.1 secs Computing kpt #: 187 total cpu time spent up to now is 253.0 secs Computing kpt #: 188 total cpu time spent up to now is 254.1 secs Computing kpt #: 189 total cpu time spent up to now is 255.1 secs Computing kpt #: 190 total cpu time spent up to now is 256.0 secs Computing kpt #: 191 total cpu time spent up to now is 256.9 secs Computing kpt #: 192 total cpu time spent up to now is 257.9 secs Computing kpt #: 193 total cpu time spent up to now is 259.0 secs Computing kpt #: 194 total cpu time spent up to now is 260.2 secs Computing kpt #: 195 total cpu time spent up to now is 261.7 secs Computing kpt #: 196 total cpu time spent up to now is 262.5 secs Computing kpt #: 197 total cpu time spent up to now is 263.3 secs Computing kpt #: 198 total cpu time spent up to now is 264.3 secs Computing kpt #: 199 total cpu time spent up to now is 265.6 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.4 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.2 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 270.9 secs Computing kpt #: 203 total cpu time spent up to now is 272.0 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.7 secs Computing kpt #: 205 total cpu time spent up to now is 274.9 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.5 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.3 secs Computing kpt #: 208 total cpu time spent up to now is 279.5 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.2 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.9 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 284.6 secs Computing kpt #: 212 total cpu time spent up to now is 285.8 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.4 secs Computing kpt #: 214 total cpu time spent up to now is 288.5 secs Computing kpt #: 215 total cpu time spent up to now is 289.7 secs Computing kpt #: 216 total cpu time spent up to now is 290.6 secs Computing kpt #: 217 total cpu time spent up to now is 291.7 secs Computing kpt #: 218 total cpu time spent up to now is 292.7 secs Computing kpt #: 219 total cpu time spent up to now is 293.6 secs Computing kpt #: 220 total cpu time spent up to now is 294.4 secs Computing kpt #: 221 total cpu time spent up to now is 295.3 secs Computing kpt #: 222 total cpu time spent up to now is 296.2 secs Computing kpt #: 223 total cpu time spent up to now is 297.1 secs Computing kpt #: 224 total cpu time spent up to now is 298.0 secs Computing kpt #: 225 total cpu time spent up to now is 299.0 secs Computing kpt #: 226 total cpu time spent up to now is 300.1 secs Computing kpt #: 227 total cpu time spent up to now is 301.1 secs Computing kpt #: 228 total cpu time spent up to now is 302.0 secs Computing kpt #: 229 total cpu time spent up to now is 303.1 secs Computing kpt #: 230 total cpu time spent up to now is 304.0 secs Computing kpt #: 231 total cpu time spent up to now is 305.0 secs Computing kpt #: 232 total cpu time spent up to now is 305.8 secs Computing kpt #: 233 total cpu time spent up to now is 306.6 secs Computing kpt #: 234 total cpu time spent up to now is 307.4 secs Computing kpt #: 235 total cpu time spent up to now is 308.3 secs Computing kpt #: 236 total cpu time spent up to now is 309.2 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.9 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.6 secs Computing kpt #: 239 total cpu time spent up to now is 314.2 secs Computing kpt #: 240 total cpu time spent up to now is 315.5 secs Computing kpt #: 241 total cpu time spent up to now is 316.6 secs Computing kpt #: 242 total cpu time spent up to now is 317.6 secs Computing kpt #: 243 total cpu time spent up to now is 318.7 secs Computing kpt #: 244 total cpu time spent up to now is 319.8 secs Computing kpt #: 245 total cpu time spent up to now is 320.6 secs Computing kpt #: 246 total cpu time spent up to now is 321.4 secs Computing kpt #: 247 total cpu time spent up to now is 322.3 secs Computing kpt #: 248 total cpu time spent up to now is 323.2 secs Computing kpt #: 249 total cpu time spent up to now is 324.0 secs Computing kpt #: 250 total cpu time spent up to now is 324.9 secs Computing kpt #: 251 total cpu time spent up to now is 325.7 secs Computing kpt #: 252 total cpu time spent up to now is 326.6 secs Computing kpt #: 253 total cpu time spent up to now is 327.5 secs Computing kpt #: 254 total cpu time spent up to now is 328.4 secs Computing kpt #: 255 total cpu time spent up to now is 329.3 secs Computing kpt #: 256 total cpu time spent up to now is 330.2 secs Computing kpt #: 257 total cpu time spent up to now is 331.1 secs Computing kpt #: 258 total cpu time spent up to now is 332.0 secs Computing kpt #: 259 total cpu time spent up to now is 333.1 secs Computing kpt #: 260 total cpu time spent up to now is 334.4 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.1 secs Computing kpt #: 262 total cpu time spent up to now is 337.6 secs Computing kpt #: 263 total cpu time spent up to now is 338.8 secs Computing kpt #: 264 total cpu time spent up to now is 339.9 secs Computing kpt #: 265 total cpu time spent up to now is 341.1 secs Computing kpt #: 266 total cpu time spent up to now is 342.1 secs Computing kpt #: 267 total cpu time spent up to now is 343.0 secs Computing kpt #: 268 total cpu time spent up to now is 344.0 secs Computing kpt #: 269 total cpu time spent up to now is 344.9 secs Computing kpt #: 270 total cpu time spent up to now is 345.9 secs Computing kpt #: 271 total cpu time spent up to now is 346.9 secs Computing kpt #: 272 total cpu time spent up to now is 347.9 secs Computing kpt #: 273 total cpu time spent up to now is 348.9 secs Computing kpt #: 274 total cpu time spent up to now is 349.9 secs Computing kpt #: 275 total cpu time spent up to now is 351.0 secs Computing kpt #: 276 total cpu time spent up to now is 352.0 secs Computing kpt #: 277 total cpu time spent up to now is 353.0 secs Computing kpt #: 278 total cpu time spent up to now is 354.0 secs Computing kpt #: 279 total cpu time spent up to now is 355.1 secs Computing kpt #: 280 total cpu time spent up to now is 356.2 secs Computing kpt #: 281 total cpu time spent up to now is 357.3 secs Computing kpt #: 282 total cpu time spent up to now is 358.7 secs Computing kpt #: 283 total cpu time spent up to now is 360.3 secs Computing kpt #: 284 total cpu time spent up to now is 361.5 secs Computing kpt #: 285 total cpu time spent up to now is 362.9 secs Computing kpt #: 286 total cpu time spent up to now is 364.2 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.9 secs Computing kpt #: 288 total cpu time spent up to now is 367.2 secs Computing kpt #: 289 total cpu time spent up to now is 368.6 secs Computing kpt #: 290 total cpu time spent up to now is 369.7 secs Computing kpt #: 291 total cpu time spent up to now is 370.7 secs Computing kpt #: 292 total cpu time spent up to now is 371.7 secs Computing kpt #: 293 total cpu time spent up to now is 372.9 secs Computing kpt #: 294 total cpu time spent up to now is 374.2 secs Computing kpt #: 295 total cpu time spent up to now is 375.2 secs Computing kpt #: 296 total cpu time spent up to now is 376.2 secs Computing kpt #: 297 total cpu time spent up to now is 377.2 secs Computing kpt #: 298 total cpu time spent up to now is 378.3 secs Computing kpt #: 299 total cpu time spent up to now is 379.4 secs Computing kpt #: 300 total cpu time spent up to now is 380.6 secs Computing kpt #: 301 total cpu time spent up to now is 382.1 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.9 secs Computing kpt #: 303 total cpu time spent up to now is 385.1 secs Computing kpt #: 304 total cpu time spent up to now is 386.1 secs Computing kpt #: 305 total cpu time spent up to now is 387.0 secs Computing kpt #: 306 total cpu time spent up to now is 388.0 secs Computing kpt #: 307 total cpu time spent up to now is 389.0 secs Computing kpt #: 308 total cpu time spent up to now is 389.9 secs Computing kpt #: 309 total cpu time spent up to now is 390.8 secs Computing kpt #: 310 total cpu time spent up to now is 391.6 secs Computing kpt #: 311 total cpu time spent up to now is 392.5 secs Computing kpt #: 312 total cpu time spent up to now is 393.3 secs Computing kpt #: 313 total cpu time spent up to now is 394.0 secs Computing kpt #: 314 total cpu time spent up to now is 394.8 secs Computing kpt #: 315 total cpu time spent up to now is 395.5 secs Computing kpt #: 316 total cpu time spent up to now is 396.2 secs Computing kpt #: 317 total cpu time spent up to now is 396.9 secs Computing kpt #: 318 total cpu time spent up to now is 397.7 secs Computing kpt #: 319 total cpu time spent up to now is 398.5 secs Computing kpt #: 320 total cpu time spent up to now is 399.2 secs Computing kpt #: 321 total cpu time spent up to now is 399.9 secs Computing kpt #: 322 total cpu time spent up to now is 400.8 secs Computing kpt #: 323 total cpu time spent up to now is 401.6 secs Computing kpt #: 324 total cpu time spent up to now is 402.2 secs Computing kpt #: 325 total cpu time spent up to now is 403.0 secs Computing kpt #: 326 total cpu time spent up to now is 404.0 secs Computing kpt #: 327 total cpu time spent up to now is 405.1 secs Computing kpt #: 328 total cpu time spent up to now is 406.3 secs Computing kpt #: 329 total cpu time spent up to now is 407.3 secs Computing kpt #: 330 total cpu time spent up to now is 408.4 secs Computing kpt #: 331 total cpu time spent up to now is 409.4 secs Computing kpt #: 332 total cpu time spent up to now is 410.4 secs Computing kpt #: 333 total cpu time spent up to now is 411.3 secs Computing kpt #: 334 total cpu time spent up to now is 412.2 secs Computing kpt #: 335 total cpu time spent up to now is 413.1 secs Computing kpt #: 336 total cpu time spent up to now is 414.0 secs Computing kpt #: 337 total cpu time spent up to now is 414.9 secs Computing kpt #: 338 total cpu time spent up to now is 415.8 secs Computing kpt #: 339 total cpu time spent up to now is 416.7 secs ethr = 2.08E-08, avg # of iterations = 69.2 total cpu time spent up to now is 416.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4123 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3557 -13.3557 -13.2951 -13.2951 -12.9919 -12.9919 -12.9715 -12.9715 -12.9206 -12.9206 -12.9160 -12.9160 -1.4697 -1.4697 0.4884 0.4884 4.6115 4.6115 5.5694 5.5694 5.9291 5.9291 5.9531 5.9531 6.3090 6.3090 6.6448 6.6448 6.7395 6.7395 6.9522 6.9522 7.5852 7.5852 7.6208 7.6208 7.8706 7.8706 7.9184 7.9184 8.0175 8.0175 9.6345 9.6345 10.3220 10.3220 10.5877 10.5877 11.2393 11.2393 11.3489 11.3489 11.4303 11.4303 k = 0.0000 0.0132-0.0000 ( 4121 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3557 -13.3557 -13.2952 -13.2952 -12.9919 -12.9919 -12.9715 -12.9715 -12.9206 -12.9206 -12.9160 -12.9160 -1.4684 -1.4684 0.4887 0.4887 4.6129 4.6129 5.5699 5.5699 5.9286 5.9286 5.9525 5.9525 6.3095 6.3095 6.6411 6.6411 6.7348 6.7348 6.9563 6.9563 7.5845 7.5845 7.6205 7.6205 7.8649 7.8649 7.9097 7.9097 8.0293 8.0293 9.6386 9.6386 10.3200 10.3200 10.5775 10.5775 11.2000 11.2000 11.3643 11.3643 11.4556 11.4556 k = 0.0000 0.0263-0.0000 ( 4125 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3557 -13.3557 -13.2954 -13.2954 -12.9919 -12.9919 -12.9716 -12.9716 -12.9207 -12.9207 -12.9162 -12.9162 -1.4646 -1.4646 0.4895 0.4895 4.6169 4.6169 5.5714 5.5714 5.9269 5.9269 5.9509 5.9509 6.3112 6.3112 6.6294 6.6294 6.7230 6.7230 6.9673 6.9673 7.5824 7.5824 7.6194 7.6194 7.8488 7.8488 7.8906 7.8906 8.0570 8.0570 9.6506 9.6506 10.3139 10.3139 10.5462 10.5462 11.1400 11.1400 11.3550 11.3550 11.5305 11.5305 k = 0.0000 0.0395-0.0000 ( 4141 PWs) bands (ev): -32.0380 -32.0380 -32.0220 -32.0220 -13.3558 -13.3558 -13.2957 -13.2957 -12.9919 -12.9919 -12.9719 -12.9719 -12.9207 -12.9207 -12.9165 -12.9165 -1.4582 -1.4582 0.4909 0.4909 4.6236 4.6236 5.5739 5.5739 5.9236 5.9236 5.9484 5.9484 6.3138 6.3138 6.6083 6.6083 6.7079 6.7079 6.9826 6.9826 7.5789 7.5789 7.6176 7.6176 7.8258 7.8258 7.8674 7.8674 8.0917 8.0917 9.6697 9.6697 10.3038 10.3038 10.4931 10.4931 11.0919 11.0919 11.3245 11.3245 11.6037 11.6038 k = 0.0000 0.0526-0.0000 ( 4145 PWs) bands (ev): -32.0379 -32.0379 -32.0221 -32.0221 -13.3558 -13.3558 -13.2960 -13.2960 -12.9918 -12.9918 -12.9722 -12.9722 -12.9208 -12.9208 -12.9168 -12.9168 -1.4493 -1.4493 0.4928 0.4928 4.6330 4.6330 5.5772 5.5772 5.9187 5.9187 5.9456 5.9456 6.3175 6.3175 6.5771 6.5771 6.6929 6.6929 7.0001 7.0001 7.5739 7.5739 7.6149 7.6149 7.7997 7.7997 7.8409 7.8409 8.1301 8.1301 9.6946 9.6946 10.2897 10.2897 10.4200 10.4200 11.0614 11.0614 11.2827 11.2827 11.5914 11.5916 k = 0.0000 0.0658-0.0000 ( 4139 PWs) bands (ev): -32.0378 -32.0378 -32.0221 -32.0221 -13.3558 -13.3558 -13.2965 -13.2965 -12.9917 -12.9917 -12.9724 -12.9724 -12.9210 -12.9210 -12.9172 -12.9172 -1.4379 -1.4379 0.4952 0.4952 4.6450 4.6450 5.5812 5.5812 5.9116 5.9116 5.9429 5.9429 6.3223 6.3223 6.5369 6.5369 6.6786 6.6786 7.0182 7.0182 7.5674 7.5674 7.6109 7.6109 7.7731 7.7731 7.8116 7.8116 8.1709 8.1709 9.7235 9.7235 10.2707 10.2707 10.3323 10.3323 11.0476 11.0476 11.2334 11.2334 11.5751 11.5752 k = 0.0000 0.0789-0.0000 ( 4143 PWs) bands (ev): -32.0377 -32.0377 -32.0221 -32.0221 -13.3558 -13.3558 -13.2971 -13.2971 -12.9915 -12.9915 -12.9728 -12.9728 -12.9213 -12.9213 -12.9176 -12.9176 -1.4239 -1.4239 0.4980 0.4980 4.6596 4.6596 5.5857 5.5857 5.9021 5.9021 5.9403 5.9403 6.3277 6.3277 6.4898 6.4898 6.6645 6.6645 7.0360 7.0360 7.5593 7.5593 7.6052 7.6052 7.7473 7.7473 7.7805 7.7805 8.2133 8.2133 9.7542 9.7542 10.2200 10.2200 10.2629 10.2629 11.0472 11.0472 11.1791 11.1791 11.5562 11.5562 k = 0.0000 0.0921-0.0000 ( 4157 PWs) bands (ev): -32.0376 -32.0376 -32.0222 -32.0222 -13.3558 -13.3558 -13.2978 -13.2978 -12.9914 -12.9914 -12.9733 -12.9733 -12.9217 -12.9217 -12.9179 -12.9179 -1.4075 -1.4075 0.5011 0.5011 4.6769 4.6769 5.5902 5.5902 5.8904 5.8904 5.9380 5.9380 6.3329 6.3329 6.4381 6.4381 6.6500 6.6500 7.0531 7.0531 7.5497 7.5497 7.5972 7.5972 7.7228 7.7228 7.7492 7.7492 8.2569 8.2569 9.7836 9.7836 10.1165 10.1165 10.2391 10.2391 11.0571 11.0571 11.1216 11.1216 11.5344 11.5344 k = 0.0000 0.1053-0.0000 ( 4153 PWs) bands (ev): -32.0374 -32.0374 -32.0222 -32.0222 -13.3558 -13.3558 -13.2986 -13.2986 -12.9913 -12.9913 -12.9737 -12.9737 -12.9222 -12.9222 -12.9182 -12.9182 -1.3886 -1.3886 0.5045 0.5045 4.6967 4.6967 5.5945 5.5945 5.8764 5.8764 5.9359 5.9359 6.3344 6.3344 6.3874 6.3874 6.6347 6.6347 7.0692 7.0692 7.5384 7.5384 7.5862 7.5862 7.6994 7.6994 7.7202 7.7202 8.3017 8.3017 9.8077 9.8077 10.0056 10.0056 10.2218 10.2218 11.0591 11.0591 11.0781 11.0781 11.5104 11.5104 k = 0.0000 0.1184-0.0000 ( 4153 PWs) bands (ev): -32.0373 -32.0373 -32.0223 -32.0223 -13.3557 -13.3557 -13.2994 -13.2994 -12.9911 -12.9911 -12.9742 -12.9742 -12.9230 -12.9230 -12.9185 -12.9185 -1.3673 -1.3673 0.5081 0.5081 4.7191 4.7191 5.5979 5.5979 5.8603 5.8603 5.9340 5.9340 6.3065 6.3065 6.3644 6.3644 6.6186 6.6186 7.0841 7.0841 7.5254 7.5254 7.5715 7.5715 7.6748 7.6748 7.6972 7.6972 8.3474 8.3474 9.8193 9.8193 9.8949 9.8949 10.2121 10.2121 10.9997 10.9997 11.1015 11.1015 11.4853 11.4853 k = 0.0000 0.1316-0.0000 ( 4145 PWs) bands (ev): -32.0371 -32.0371 -32.0224 -32.0224 -13.3557 -13.3557 -13.3004 -13.3004 -12.9910 -12.9910 -12.9747 -12.9747 -12.9238 -12.9238 -12.9186 -12.9186 -1.3435 -1.3435 0.5116 0.5116 4.7439 4.7439 5.5995 5.5995 5.8421 5.8421 5.9321 5.9321 6.2515 6.2515 6.3685 6.3685 6.6017 6.6017 7.0979 7.0979 7.5106 7.5106 7.5533 7.5533 7.6486 7.6486 7.6814 7.6814 8.3939 8.3939 9.7700 9.7700 9.8298 9.8298 10.2147 10.2147 10.9381 10.9381 11.1322 11.1322 11.4598 11.4598 k = 0.0000 0.1447-0.0000 ( 4141 PWs) bands (ev): -32.0369 -32.0369 -32.0224 -32.0224 -13.3556 -13.3556 -13.3014 -13.3014 -12.9909 -12.9909 -12.9751 -12.9751 -12.9249 -12.9249 -12.9187 -12.9187 -1.3175 -1.3175 0.5151 0.5151 4.7712 4.7712 5.5978 5.5978 5.8218 5.8218 5.9304 5.9304 6.1937 6.1937 6.3775 6.3775 6.5839 6.5839 7.1103 7.1103 7.4941 7.4941 7.5325 7.5325 7.6226 7.6226 7.6705 7.6705 8.4409 8.4409 9.6608 9.6608 9.8074 9.8074 10.2319 10.2319 10.8764 10.8764 11.1682 11.1682 11.4348 11.4348 k = 0.0000 0.1579-0.0000 ( 4145 PWs) bands (ev): -32.0366 -32.0366 -32.0225 -32.0225 -13.3556 -13.3556 -13.3026 -13.3026 -12.9908 -12.9908 -12.9755 -12.9755 -12.9260 -12.9260 -12.9188 -12.9188 -1.2890 -1.2890 0.5183 0.5183 4.8009 4.8009 5.5914 5.5914 5.7996 5.7996 5.9287 5.9287 6.1387 6.1387 6.3879 6.3879 6.5653 6.5653 7.1213 7.1213 7.4760 7.4760 7.5101 7.5101 7.5977 7.5977 7.6624 7.6624 8.4884 8.4884 9.5504 9.5504 9.7714 9.7714 10.2626 10.2626 10.8149 10.8149 11.2087 11.2087 11.4106 11.4106 k = 0.0000 0.1711-0.0000 ( 4143 PWs) bands (ev): -32.0364 -32.0364 -32.0226 -32.0226 -13.3555 -13.3555 -13.3038 -13.3038 -12.9908 -12.9908 -12.9759 -12.9759 -12.9272 -12.9272 -12.9190 -12.9190 -1.2584 -1.2584 0.5212 0.5212 4.8329 4.8329 5.5779 5.5779 5.7754 5.7754 5.9272 5.9272 6.0900 6.0900 6.3990 6.3990 6.5464 6.5464 7.1310 7.1310 7.4565 7.4565 7.4873 7.4873 7.5741 7.5741 7.6562 7.6562 8.5362 8.5362 9.4421 9.4421 9.7228 9.7228 10.3037 10.3037 10.7541 10.7541 11.2537 11.2537 11.3877 11.3877 k = 0.0000 0.1842-0.0000 ( 4143 PWs) bands (ev): -32.0361 -32.0361 -32.0227 -32.0227 -13.3554 -13.3554 -13.3051 -13.3051 -12.9908 -12.9908 -12.9762 -12.9762 -12.9284 -12.9284 -12.9191 -12.9191 -1.2255 -1.2255 0.5234 0.5234 4.8671 4.8671 5.5555 5.5555 5.7494 5.7494 5.9257 5.9257 6.0503 6.0503 6.4104 6.4104 6.5275 6.5275 7.1393 7.1393 7.4359 7.4359 7.4647 7.4647 7.5514 7.5514 7.6510 7.6510 8.5843 8.5843 9.3367 9.3367 9.6644 9.6644 10.3521 10.3521 10.6943 10.6943 11.3027 11.3027 11.3665 11.3665 k = 0.0000 0.1974-0.0000 ( 4147 PWs) bands (ev): -32.0359 -32.0359 -32.0228 -32.0228 -13.3553 -13.3553 -13.3065 -13.3065 -12.9909 -12.9909 -12.9765 -12.9765 -12.9297 -12.9297 -12.9193 -12.9193 -1.1904 -1.1904 0.5250 0.5250 4.9034 4.9034 5.5227 5.5227 5.7213 5.7213 5.9245 5.9245 6.0216 6.0216 6.4212 6.4212 6.5095 6.5095 7.1461 7.1461 7.4147 7.4147 7.4425 7.4425 7.5294 7.5294 7.6464 7.6464 8.6323 8.6323 9.2348 9.2348 9.5989 9.5989 10.4052 10.4052 10.6360 10.6360 11.3473 11.3473 11.3556 11.3556 k = 0.0000 0.2105-0.0000 ( 4147 PWs) bands (ev): -32.0356 -32.0356 -32.0229 -32.0229 -13.3552 -13.3552 -13.3080 -13.3080 -12.9910 -12.9910 -12.9767 -12.9767 -12.9310 -12.9310 -12.9195 -12.9195 -1.1532 -1.1532 0.5256 0.5256 4.9417 4.9417 5.4800 5.4800 5.6917 5.6917 5.9237 5.9237 6.0042 6.0042 6.4291 6.4291 6.4946 6.4946 7.1514 7.1514 7.3934 7.3934 7.4209 7.4209 7.5080 7.5080 7.6422 7.6422 8.6802 8.6802 9.1369 9.1369 9.5282 9.5282 10.4598 10.4598 10.5811 10.5811 11.3305 11.3305 11.4121 11.4121 k = 0.0000 0.2237-0.0000 ( 4135 PWs) bands (ev): -32.0353 -32.0353 -32.0230 -32.0230 -13.3550 -13.3550 -13.3094 -13.3094 -12.9912 -12.9912 -12.9769 -12.9769 -12.9322 -12.9322 -12.9197 -12.9197 -1.1140 -1.1140 0.5251 0.5251 4.9818 4.9818 5.4291 5.4291 5.6604 5.6604 5.9238 5.9238 5.9964 5.9964 6.4293 6.4293 6.4878 6.4878 7.1551 7.1551 7.3722 7.3722 7.3998 7.3998 7.4870 7.4870 7.6381 7.6381 8.7277 8.7277 9.0434 9.0434 9.4537 9.4537 10.4929 10.4929 10.5520 10.5520 11.3163 11.3163 11.4723 11.4723 k = 0.0000 0.2368-0.0000 ( 4139 PWs) bands (ev): -32.0350 -32.0350 -32.0232 -32.0232 -13.3549 -13.3549 -13.3110 -13.3110 -12.9915 -12.9915 -12.9771 -12.9771 -12.9334 -12.9334 -12.9199 -12.9199 -1.0729 -1.0729 0.5232 0.5232 5.0235 5.0235 5.3727 5.3727 5.6277 5.6277 5.9245 5.9245 5.9964 5.9964 6.4186 6.4186 6.4923 6.4923 7.1571 7.1571 7.3511 7.3511 7.3794 7.3794 7.4664 7.4664 7.6339 7.6339 8.7740 8.7740 8.9551 8.9551 9.3765 9.3765 10.4541 10.4541 10.5985 10.5985 11.3049 11.3049 11.5358 11.5358 k = 0.0000 0.2500-0.0000 ( 4149 PWs) bands (ev): -32.0347 -32.0347 -32.0233 -32.0233 -13.3547 -13.3547 -13.3126 -13.3126 -12.9917 -12.9917 -12.9773 -12.9773 -12.9345 -12.9345 -12.9203 -12.9203 -1.0298 -1.0298 0.5198 0.5198 5.0662 5.0662 5.3132 5.3132 5.5939 5.5939 5.9258 5.9258 6.0022 6.0022 6.4014 6.4014 6.5037 6.5037 7.1572 7.1572 7.3302 7.3302 7.3597 7.3597 7.4462 7.4462 7.6295 7.6295 8.8135 8.8135 8.8777 8.8777 9.2976 9.2976 10.4020 10.4020 10.6618 10.6618 11.2965 11.2965 11.6025 11.6025 k = 0.0000 0.2632-0.0000 ( 4153 PWs) bands (ev): -32.0344 -32.0344 -32.0235 -32.0235 -13.3545 -13.3545 -13.3142 -13.3142 -12.9920 -12.9920 -12.9774 -12.9774 -12.9356 -12.9356 -12.9206 -12.9206 -0.9850 -0.9850 0.5146 0.5146 5.1091 5.1091 5.2534 5.2534 5.5596 5.5596 5.9276 5.9276 6.0125 6.0125 6.3817 6.3817 6.5183 6.5183 7.1553 7.1553 7.3093 7.3093 7.3408 7.3408 7.4267 7.4267 7.6249 7.6249 8.7799 8.7799 8.8779 8.8779 9.2177 9.2177 10.3494 10.3494 10.7286 10.7286 11.2914 11.2914 11.6722 11.6722 k = 0.0000 0.2763-0.0000 ( 4153 PWs) bands (ev): -32.0340 -32.0340 -32.0236 -32.0236 -13.3543 -13.3543 -13.3159 -13.3159 -12.9923 -12.9923 -12.9776 -12.9776 -12.9366 -12.9366 -12.9210 -12.9210 -0.9384 -0.9384 0.5075 0.5075 5.1467 5.1467 5.1994 5.1994 5.5254 5.5254 5.9298 5.9298 6.0260 6.0260 6.3609 6.3609 6.5346 6.5346 7.1513 7.1513 7.2884 7.2884 7.3226 7.3226 7.4084 7.4084 7.6199 7.6199 8.7081 8.7081 8.9205 8.9205 9.1375 9.1375 10.2976 10.2976 10.7974 10.7974 11.2897 11.2897 11.7443 11.7443 k = 0.0000 0.2895-0.0000 ( 4149 PWs) bands (ev): -32.0337 -32.0337 -32.0238 -32.0238 -13.3540 -13.3540 -13.3176 -13.3176 -12.9926 -12.9926 -12.9778 -12.9778 -12.9374 -12.9374 -12.9214 -12.9214 -0.8903 -0.8903 0.4982 0.4982 5.1259 5.1259 5.2039 5.2039 5.4933 5.4933 5.9323 5.9323 6.0416 6.0416 6.3399 6.3399 6.5519 6.5519 7.1450 7.1450 7.2676 7.2676 7.3048 7.3048 7.3916 7.3916 7.6144 7.6144 8.6387 8.6387 8.9648 8.9648 9.0580 9.0580 10.2470 10.2470 10.8677 10.8677 11.2915 11.2915 11.7815 11.7815 k = 0.0000 0.3026-0.0000 ( 4145 PWs) bands (ev): -32.0333 -32.0333 -32.0240 -32.0240 -13.3537 -13.3537 -13.3193 -13.3193 -12.9928 -12.9928 -12.9781 -12.9781 -12.9381 -12.9381 -12.9219 -12.9219 -0.8406 -0.8406 0.4865 0.4865 5.0731 5.0731 5.2377 5.2377 5.4669 5.4669 5.9353 5.9353 6.0586 6.0586 6.3187 6.3187 6.5701 6.5701 7.1363 7.1363 7.2470 7.2470 7.2868 7.2868 7.3771 7.3771 7.6084 7.6084 8.5738 8.5738 8.9774 8.9774 9.0110 9.0110 10.1976 10.1976 10.9389 10.9389 11.2969 11.2969 11.8194 11.8194 k = 0.0000 0.3158-0.0000 ( 4145 PWs) bands (ev): -32.0330 -32.0330 -32.0242 -32.0242 -13.3534 -13.3534 -13.3211 -13.3211 -12.9930 -12.9930 -12.9785 -12.9785 -12.9386 -12.9386 -12.9224 -12.9224 -0.7896 -0.7896 0.4723 0.4723 5.0217 5.0217 5.2606 5.2606 5.4540 5.4540 5.9387 5.9387 6.0763 6.0763 6.2978 6.2978 6.5888 6.5888 7.1253 7.1253 7.2265 7.2265 7.2683 7.2683 7.3650 7.3650 7.6017 7.6017 8.5139 8.5139 8.9012 8.9012 9.0537 9.0537 10.1495 10.1495 11.0108 11.0108 11.3061 11.3061 11.8590 11.8590 k = 0.0000 0.3289-0.0000 ( 4145 PWs) bands (ev): -32.0326 -32.0326 -32.0244 -32.0244 -13.3530 -13.3530 -13.3228 -13.3228 -12.9932 -12.9932 -12.9790 -12.9790 -12.9390 -12.9390 -12.9230 -12.9230 -0.7374 -0.7374 0.4554 0.4554 4.9741 4.9741 5.2616 5.2616 5.4638 5.4638 5.9426 5.9426 6.0940 6.0940 6.2772 6.2772 6.6080 6.6080 7.1120 7.1120 7.2064 7.2064 7.2489 7.2489 7.3559 7.3559 7.5943 7.5943 8.4592 8.4592 8.8262 8.8262 9.0966 9.0966 10.1027 10.1027 11.0829 11.0829 11.3190 11.3190 11.9001 11.9001 k = 0.0000 0.3421-0.0000 ( 4153 PWs) bands (ev): -32.0322 -32.0322 -32.0246 -32.0246 -13.3526 -13.3526 -13.3245 -13.3245 -12.9933 -12.9933 -12.9795 -12.9795 -12.9393 -12.9393 -12.9236 -12.9236 -0.6840 -0.6840 0.4357 0.4357 4.9310 4.9310 5.2417 5.2417 5.4950 5.4950 5.9471 5.9471 6.1110 6.1110 6.2571 6.2571 6.6277 6.6277 7.0967 7.0967 7.1866 7.1866 7.2288 7.2288 7.3495 7.3495 7.5860 7.5860 8.4094 8.4094 8.7537 8.7537 9.1387 9.1387 10.0571 10.0571 11.1547 11.1547 11.3358 11.3358 11.9424 11.9424 k = 0.0000 0.3553-0.0000 ( 4147 PWs) bands (ev): -32.0319 -32.0319 -32.0248 -32.0248 -13.3520 -13.3520 -13.3263 -13.3263 -12.9934 -12.9934 -12.9802 -12.9802 -12.9393 -12.9393 -12.9242 -12.9242 -0.6296 -0.6296 0.4131 0.4131 4.8928 4.8928 5.2102 5.2102 5.5385 5.5385 5.9521 5.9521 6.1267 6.1267 6.2377 6.2377 6.6479 6.6479 7.0798 7.0798 7.1672 7.1672 7.2080 7.2080 7.3459 7.3459 7.5769 7.5769 8.3650 8.3650 8.6844 8.6844 9.1798 9.1798 10.0128 10.0128 11.2256 11.2256 11.3564 11.3564 11.9849 11.9849 k = 0.0000 0.3684-0.0000 ( 4143 PWs) bands (ev): -32.0315 -32.0315 -32.0250 -32.0250 -13.3515 -13.3515 -13.3279 -13.3279 -12.9934 -12.9934 -12.9809 -12.9809 -12.9392 -12.9392 -12.9249 -12.9249 -0.5745 -0.5745 0.3876 0.3876 4.8599 4.8599 5.1732 5.1732 5.5880 5.5880 5.9578 5.9578 6.1403 6.1403 6.2193 6.2193 6.6684 6.6684 7.0616 7.0616 7.1483 7.1483 7.1868 7.1868 7.3447 7.3447 7.5668 7.5668 8.3258 8.3258 8.6186 8.6186 9.2201 9.2201 9.9697 9.9697 11.2951 11.2951 11.3807 11.3807 11.9978 11.9978 k = 0.0000 0.3816-0.0000 ( 4143 PWs) bands (ev): -32.0311 -32.0311 -32.0253 -32.0253 -13.3509 -13.3509 -13.3296 -13.3296 -12.9933 -12.9933 -12.9816 -12.9816 -12.9390 -12.9390 -12.9256 -12.9256 -0.5187 -0.5187 0.3590 0.3590 4.8325 4.8325 5.1340 5.1340 5.6404 5.6404 5.9640 5.9640 6.1504 6.1504 6.2027 6.2027 6.6892 6.6892 7.0425 7.0425 7.1297 7.1297 7.1655 7.1655 7.3456 7.3456 7.5557 7.5557 8.2919 8.2919 8.5569 8.5569 9.2596 9.2596 9.9276 9.9276 11.3623 11.3623 11.4088 11.4088 11.9809 11.9809 k = 0.0000 0.3947-0.0000 ( 4141 PWs) bands (ev): -32.0308 -32.0308 -32.0255 -32.0255 -13.3503 -13.3503 -13.3313 -13.3313 -12.9931 -12.9931 -12.9825 -12.9825 -12.9387 -12.9387 -12.9263 -12.9263 -0.4624 -0.4624 0.3274 0.3274 4.8107 4.8107 5.0940 5.0940 5.6940 5.6940 5.9709 5.9709 6.1541 6.1541 6.1903 6.1903 6.7102 6.7102 7.0230 7.0230 7.1116 7.1116 7.1444 7.1444 7.3485 7.3485 7.5436 7.5436 8.2632 8.2632 8.4994 8.4994 9.2982 9.2982 9.8867 9.8867 11.4267 11.4267 11.4406 11.4406 11.9622 11.9622 k = 0.0000 0.4079-0.0000 ( 4137 PWs) bands (ev): -32.0304 -32.0304 -32.0258 -32.0258 -13.3496 -13.3496 -13.3329 -13.3329 -12.9929 -12.9929 -12.9833 -12.9833 -12.9382 -12.9382 -12.9271 -12.9271 -0.4058 -0.4058 0.2930 0.2930 4.7945 4.7945 5.0542 5.0542 5.7479 5.7479 5.9785 5.9785 6.1480 6.1480 6.1849 6.1849 6.7314 6.7314 7.0034 7.0034 7.0944 7.0944 7.1238 7.1238 7.3532 7.3532 7.5306 7.5306 8.2397 8.2397 8.4467 8.4467 9.3360 9.3360 9.8468 9.8468 11.4759 11.4759 11.4875 11.4875 11.9429 11.9429 k = 0.0000 0.4211-0.0000 ( 4137 PWs) bands (ev): -32.0300 -32.0300 -32.0261 -32.0261 -13.3488 -13.3488 -13.3344 -13.3344 -12.9926 -12.9926 -12.9842 -12.9842 -12.9377 -12.9377 -12.9279 -12.9279 -0.3492 -0.3492 0.2556 0.2556 4.7839 4.7839 5.0153 5.0153 5.8013 5.8013 5.9867 5.9867 6.1353 6.1353 6.1826 6.1826 6.7526 6.7526 6.9840 6.9840 7.0783 7.0783 7.1040 7.1040 7.3596 7.3596 7.5168 7.5168 8.2214 8.2214 8.3987 8.3987 9.3731 9.3731 9.8078 9.8078 11.5146 11.5146 11.5440 11.5440 11.9231 11.9231 k = 0.0000 0.4342-0.0000 ( 4137 PWs) bands (ev): -32.0297 -32.0297 -32.0264 -32.0264 -13.3479 -13.3479 -13.3360 -13.3360 -12.9922 -12.9922 -12.9851 -12.9851 -12.9370 -12.9370 -12.9288 -12.9288 -0.2926 -0.2926 0.2155 0.2155 4.7788 4.7788 4.9780 4.9780 5.8535 5.8535 5.9957 5.9957 6.1206 6.1206 6.1782 6.1782 6.7738 6.7738 6.9650 6.9650 7.0637 7.0637 7.0855 7.0855 7.3676 7.3676 7.5023 7.5023 8.2082 8.2082 8.3558 8.3558 9.4097 9.4097 9.7696 9.7696 11.5566 11.5566 11.5958 11.5958 11.9029 11.9029 k = 0.0000 0.4474-0.0000 ( 4140 PWs) bands (ev): -32.0293 -32.0293 -32.0266 -32.0266 -13.3470 -13.3470 -13.3375 -13.3375 -12.9918 -12.9918 -12.9860 -12.9860 -12.9364 -12.9364 -12.9296 -12.9296 -0.2364 -0.2364 0.1729 0.1729 4.7790 4.7790 4.9425 4.9425 5.9036 5.9036 6.0054 6.0054 6.1057 6.1057 6.1695 6.1695 6.7949 6.7949 6.9465 6.9465 7.0510 7.0510 7.0686 7.0686 7.3770 7.3770 7.4872 7.4872 8.2002 8.2002 8.3180 8.3180 9.4458 9.4458 9.7321 9.7321 11.6016 11.6016 11.6427 11.6427 11.8821 11.8821 k = 0.0000 0.4605-0.0000 ( 4146 PWs) bands (ev): -32.0290 -32.0290 -32.0270 -32.0270 -13.3461 -13.3461 -13.3389 -13.3389 -12.9913 -12.9913 -12.9869 -12.9869 -12.9356 -12.9356 -12.9305 -12.9305 -0.1808 -0.1808 0.1278 0.1278 4.7845 4.7845 4.9095 4.9095 5.9507 5.9507 6.0159 6.0159 6.0912 6.0912 6.1555 6.1555 6.8156 6.8156 6.9285 6.9285 7.0409 7.0409 7.0541 7.0541 7.3878 7.3878 7.4719 7.4719 8.1972 8.1972 8.2854 8.2854 9.4814 9.4814 9.6953 9.6953 11.6495 11.6495 11.6847 11.6847 11.8603 11.8603 k = 0.0000 0.4737-0.0000 ( 4152 PWs) bands (ev): -32.0286 -32.0286 -32.0273 -32.0273 -13.3451 -13.3451 -13.3402 -13.3402 -12.9907 -12.9907 -12.9877 -12.9877 -12.9348 -12.9348 -12.9314 -12.9314 -0.1260 -0.1260 0.0806 0.0806 4.7948 4.7948 4.8793 4.8793 5.9933 5.9933 6.0278 6.0278 6.0777 6.0777 6.1361 6.1361 6.8358 6.8358 6.9108 6.9108 7.0337 7.0337 7.0425 7.0425 7.3998 7.3998 7.4566 7.4566 8.1992 8.1992 8.2580 8.2580 9.5169 9.5169 9.6591 9.6591 11.7002 11.7002 11.7222 11.7222 11.8373 11.8373 k = 0.0000 0.4868-0.0000 ( 4152 PWs) bands (ev): -32.0283 -32.0283 -32.0276 -32.0276 -13.3440 -13.3440 -13.3416 -13.3416 -12.9901 -12.9901 -12.9886 -12.9886 -12.9340 -12.9340 -12.9323 -12.9323 -0.0722 -0.0722 0.0313 0.0313 4.8098 4.8098 4.8524 4.8524 6.0259 6.0259 6.0424 6.0424 6.0684 6.0684 6.1115 6.1115 6.8555 6.8555 6.8929 6.8929 7.0300 7.0300 7.0344 7.0344 7.4129 7.4129 7.4415 7.4415 8.2063 8.2063 8.2357 8.2357 9.5523 9.5523 9.6232 9.6232 11.7533 11.7533 11.7555 11.7555 11.8125 11.8125 k = 0.0000 0.5000-0.0000 ( 4150 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3428 -13.3428 -13.3428 -13.3428 -12.9893 -12.9893 -12.9893 -12.9893 -12.9331 -12.9331 -12.9331 -12.9331 -0.0197 -0.0197 -0.0197 -0.0197 4.8291 4.8291 4.8291 4.8291 6.0425 6.0425 6.0425 6.0425 6.0838 6.0838 6.0838 6.0838 6.8745 6.8745 6.8745 6.8745 7.0302 7.0302 7.0302 7.0302 7.4268 7.4268 7.4268 7.4268 8.2185 8.2185 8.2185 8.2185 9.5877 9.5877 9.5877 9.5877 11.7854 11.7854 11.7854 11.7854 11.8088 11.8088 k = 0.0000 0.5000-0.0000 ( 4150 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3428 -13.3428 -13.3428 -13.3428 -12.9893 -12.9893 -12.9893 -12.9893 -12.9331 -12.9331 -12.9331 -12.9331 -0.0197 -0.0197 -0.0197 -0.0197 4.8291 4.8291 4.8291 4.8291 6.0425 6.0425 6.0425 6.0425 6.0838 6.0838 6.0838 6.0838 6.8745 6.8745 6.8745 6.8745 7.0302 7.0302 7.0302 7.0302 7.4268 7.4268 7.4268 7.4268 8.2185 8.2185 8.2185 8.2185 9.5877 9.5877 9.5877 9.5877 11.7854 11.7854 11.7854 11.7854 11.8088 11.8088 k = 0.0132 0.5000-0.0000 ( 4150 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3429 -13.3429 -13.3428 -13.3428 -12.9903 -12.9903 -12.9884 -12.9884 -12.9341 -12.9341 -12.9323 -12.9323 -0.0190 -0.0190 -0.0189 -0.0189 4.8273 4.8273 4.8289 4.8289 6.0392 6.0392 6.0466 6.0466 6.0827 6.0827 6.0877 6.0877 6.8681 6.8681 6.8767 6.8767 7.0284 7.0284 7.0362 7.0362 7.4258 7.4258 7.4274 7.4274 8.2175 8.2175 8.2194 8.2194 9.5802 9.5802 9.5849 9.5849 11.7427 11.7427 11.7484 11.7484 11.8387 11.8387 k = 0.0263 0.5000-0.0000 ( 4146 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3429 -13.3429 -13.3427 -13.3427 -12.9912 -12.9912 -12.9874 -12.9874 -12.9351 -12.9351 -12.9315 -12.9315 -0.0169 -0.0169 -0.0167 -0.0167 4.8234 4.8234 4.8267 4.8267 6.0372 6.0372 6.0509 6.0509 6.0848 6.0848 6.0938 6.0938 6.8583 6.8583 6.8743 6.8743 7.0313 7.0313 7.0455 7.0455 7.4244 7.4244 7.4277 7.4277 8.2164 8.2164 8.2202 8.2202 9.5627 9.5627 9.5721 9.5721 11.6813 11.6813 11.6906 11.6906 11.8720 11.8720 k = 0.0395 0.5000-0.0000 ( 4142 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3430 -13.3430 -13.3427 -13.3427 -12.9922 -12.9922 -12.9864 -12.9864 -12.9363 -12.9363 -12.9308 -12.9308 -0.0134 -0.0134 -0.0131 -0.0131 4.8175 4.8175 4.8223 4.8223 6.0367 6.0367 6.0554 6.0554 6.0903 6.0903 6.1020 6.1020 6.8463 6.8463 6.8677 6.8677 7.0383 7.0383 7.0571 7.0571 7.4225 7.4225 7.4275 7.4275 8.2153 8.2153 8.2210 8.2210 9.5359 9.5359 9.5498 9.5498 11.6100 11.6100 11.6221 11.6221 11.9036 11.9036 k = 0.0526 0.5000-0.0000 ( 4144 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3432 -13.3432 -13.3428 -13.3428 -12.9931 -12.9931 -12.9855 -12.9855 -12.9375 -12.9375 -12.9302 -12.9302 -0.0085 -0.0085 -0.0081 -0.0081 4.8095 4.8095 4.8159 4.8159 6.0378 6.0378 6.0600 6.0600 6.0991 6.0991 6.1120 6.1120 6.8328 6.8328 6.8580 6.8580 7.0484 7.0484 7.0699 7.0699 7.4202 7.4202 7.4271 7.4271 8.2141 8.2141 8.2217 8.2217 9.5007 9.5007 9.5188 9.5188 11.5307 11.5307 11.5448 11.5448 11.9355 11.9355 k = 0.0658 0.5000-0.0000 ( 4144 PWs) bands (ev): -32.0278 -32.0278 -32.0278 -32.0278 -13.3433 -13.3433 -13.3428 -13.3428 -12.9940 -12.9940 -12.9846 -12.9846 -12.9388 -12.9388 -12.9297 -12.9297 -0.0023 -0.0023 -0.0018 -0.0018 4.7996 4.7996 4.8074 4.8074 6.0406 6.0406 6.0653 6.0653 6.1106 6.1106 6.1237 6.1237 6.8185 6.8185 6.8462 6.8462 7.0606 7.0606 7.0834 7.0834 7.4175 7.4175 7.4264 7.4264 8.2128 8.2128 8.2223 8.2223 9.4583 9.4583 9.4802 9.4802 11.4453 11.4453 11.4606 11.4606 11.9685 11.9685 k = 0.0789 0.5000-0.0000 ( 4148 PWs) bands (ev): -32.0278 -32.0278 -32.0278 -32.0278 -13.3435 -13.3435 -13.3429 -13.3429 -12.9949 -12.9949 -12.9836 -12.9836 -12.9402 -12.9402 -12.9293 -12.9293 0.0054 0.0054 0.0060 0.0060 4.7876 4.7876 4.7968 4.7968 6.0453 6.0453 6.0717 6.0717 6.1245 6.1245 6.1370 6.1370 6.8039 6.8039 6.8330 6.8330 7.0740 7.0740 7.0971 7.0971 7.4145 7.4145 7.4254 7.4254 8.2114 8.2114 8.2227 8.2227 9.4097 9.4097 9.4353 9.4353 11.3557 11.3557 11.3716 11.3716 12.0031 12.0031 k = 0.0921 0.5000-0.0000 ( 4148 PWs) bands (ev): -32.0278 -32.0278 -32.0278 -32.0278 -13.3437 -13.3437 -13.3431 -13.3431 -12.9958 -12.9958 -12.9827 -12.9827 -12.9416 -12.9416 -12.9290 -12.9290 0.0143 0.0143 0.0150 0.0150 4.7736 4.7736 4.7841 4.7841 6.0518 6.0518 6.0795 6.0795 6.1403 6.1403 6.1518 6.1518 6.7892 6.7892 6.8192 6.8192 7.0879 7.0879 7.1105 7.1105 7.4111 7.4111 7.4244 7.4244 8.2099 8.2099 8.2230 8.2230 9.3564 9.3564 9.3852 9.3852 11.2632 11.2632 11.2793 11.2793 12.0388 12.0388 k = 0.1053 0.5000-0.0000 ( 4152 PWs) bands (ev): -32.0277 -32.0277 -32.0277 -32.0277 -13.3439 -13.3439 -13.3432 -13.3432 -12.9967 -12.9967 -12.9818 -12.9818 -12.9431 -12.9431 -12.9288 -12.9288 0.0246 0.0246 0.0254 0.0254 4.7577 4.7577 4.7693 4.7693 6.0602 6.0602 6.0888 6.0888 6.1578 6.1578 6.1681 6.1681 6.7747 6.7747 6.8050 6.8050 7.1020 7.1020 7.1233 7.1233 7.4074 7.4074 7.4234 7.4234 8.2082 8.2082 8.2230 8.2230 9.2994 9.2994 9.3312 9.3312 11.1689 11.1689 11.1849 11.1849 12.0753 12.0753 k = 0.1184 0.5000-0.0000 ( 4146 PWs) bands (ev): -32.0276 -32.0276 -32.0276 -32.0276 -13.3441 -13.3441 -13.3433 -13.3433 -12.9975 -12.9975 -12.9809 -12.9809 -12.9446 -12.9446 -12.9286 -12.9286 0.0361 0.0361 0.0369 0.0369 4.7397 4.7397 4.7523 4.7523 6.0704 6.0704 6.0998 6.0998 6.1770 6.1770 6.1859 6.1859 6.7606 6.7606 6.7909 6.7909 7.1159 7.1159 7.1352 7.1352 7.4037 7.4037 7.4225 7.4225 8.2063 8.2063 8.2228 8.2228 9.2400 9.2400 9.2744 9.2744 11.0736 11.0736 11.0892 11.0892 12.1121 12.1121 k = 0.1316 0.5000-0.0000 ( 4158 PWs) bands (ev): -32.0276 -32.0276 -32.0276 -32.0276 -13.3444 -13.3444 -13.3436 -13.3436 -12.9984 -12.9984 -12.9800 -12.9800 -12.9462 -12.9462 -12.9286 -12.9286 0.0487 0.0487 0.0497 0.0497 4.7198 4.7198 4.7333 4.7333 6.0824 6.0824 6.1123 6.1123 6.1976 6.1976 6.2049 6.2049 6.7470 6.7470 6.7768 6.7768 7.1290 7.1290 7.1460 7.1460 7.3998 7.3998 7.4218 7.4218 8.2041 8.2041 8.2223 8.2223 9.1792 9.1792 9.2159 9.2159 10.9779 10.9779 10.9931 10.9931 12.1488 12.1488 k = 0.1447 0.5000-0.0000 ( 4154 PWs) bands (ev): -32.0275 -32.0275 -32.0275 -32.0275 -13.3446 -13.3446 -13.3438 -13.3438 -12.9991 -12.9991 -12.9791 -12.9791 -12.9478 -12.9478 -12.9286 -12.9286 0.0626 0.0626 0.0636 0.0636 4.6980 4.6980 4.7123 4.7123 6.0962 6.0962 6.1265 6.1265 6.2197 6.2197 6.2253 6.2253 6.7340 6.7340 6.7632 6.7632 7.1414 7.1414 7.1555 7.1555 7.3960 7.3960 7.4216 7.4216 8.2016 8.2016 8.2213 8.2213 9.1179 9.1179 9.1567 9.1567 10.8827 10.8827 10.8972 10.8972 12.1850 12.1850 k = 0.1579 0.5000-0.0000 ( 4146 PWs) bands (ev): -32.0274 -32.0274 -32.0274 -32.0274 -13.3449 -13.3449 -13.3440 -13.3440 -12.9999 -12.9999 -12.9783 -12.9783 -12.9494 -12.9494 -12.9287 -12.9287 0.0775 0.0775 0.0786 0.0786 4.6745 4.6745 4.6893 4.6893 6.1116 6.1116 6.1421 6.1421 6.2431 6.2431 6.2469 6.2469 6.7218 6.7218 6.7501 6.7501 7.1527 7.1527 7.1634 7.1634 7.3925 7.3925 7.4218 7.4218 8.1987 8.1987 8.2198 8.2198 9.0569 9.0569 9.0975 9.0975 10.7882 10.7882 10.8021 10.8021 12.2206 12.2207 k = 0.1711 0.5000-0.0000 ( 4134 PWs) bands (ev): -32.0274 -32.0274 -32.0274 -32.0274 -13.3452 -13.3452 -13.3442 -13.3442 -13.0005 -13.0005 -12.9775 -12.9775 -12.9510 -12.9510 -12.9288 -12.9288 0.0934 0.0934 0.0946 0.0946 4.6491 4.6491 4.6644 4.6644 6.1285 6.1285 6.1592 6.1592 6.2677 6.2677 6.2696 6.2696 6.7105 6.7105 6.7375 6.7375 7.1627 7.1627 7.1697 7.1697 7.3894 7.3894 7.4228 7.4228 8.1953 8.1953 8.2177 8.2177 8.9969 8.9969 9.0390 9.0390 10.6950 10.6950 10.7081 10.7081 12.2554 12.2554 k = 0.1842 0.5000-0.0000 ( 4140 PWs) bands (ev): -32.0273 -32.0273 -32.0273 -32.0273 -13.3455 -13.3455 -13.3445 -13.3445 -13.0012 -13.0012 -12.9767 -12.9767 -12.9527 -12.9527 -12.9291 -12.9291 0.1103 0.1103 0.1116 0.1116 4.6222 4.6222 4.6378 4.6378 6.1467 6.1467 6.1775 6.1775 6.2933 6.2933 6.2935 6.2935 6.7001 6.7001 6.7256 6.7256 7.1711 7.1711 7.1742 7.1742 7.3868 7.3868 7.4243 7.4243 8.1912 8.1912 8.2148 8.2148 8.9385 8.9385 8.9817 8.9817 10.6033 10.6033 10.6157 10.6157 12.2893 12.2973 k = 0.1974 0.5000-0.0000 ( 4150 PWs) bands (ev): -32.0272 -32.0272 -32.0272 -32.0272 -13.3459 -13.3459 -13.3448 -13.3448 -13.0018 -13.0018 -12.9761 -12.9761 -12.9543 -12.9543 -12.9294 -12.9294 0.1280 0.1280 0.1294 0.1294 4.5937 4.5937 4.6095 4.6095 6.1662 6.1662 6.1970 6.1970 6.3179 6.3179 6.3202 6.3202 6.6907 6.6907 6.7144 6.7144 7.1770 7.1770 7.1778 7.1778 7.3851 7.3851 7.4265 7.4265 8.1863 8.1863 8.2110 8.2110 8.8822 8.8822 8.9263 8.9263 10.5137 10.5137 10.5253 10.5253 12.3220 12.3224 k = 0.2105 0.5000-0.0000 ( 4142 PWs) bands (ev): -32.0271 -32.0271 -32.0271 -32.0271 -13.3462 -13.3462 -13.3451 -13.3451 -13.0024 -13.0024 -12.9755 -12.9755 -12.9558 -12.9558 -12.9298 -12.9298 0.1465 0.1465 0.1479 0.1479 4.5639 4.5639 4.5797 4.5797 6.1867 6.1867 6.2176 6.2176 6.3432 6.3432 6.3479 6.3479 6.6826 6.6826 6.7040 6.7040 7.1782 7.1782 7.1827 7.1827 7.3843 7.3843 7.4295 7.4295 8.1806 8.1806 8.2060 8.2060 8.8284 8.8284 8.8731 8.8731 10.4266 10.4266 10.4372 10.4372 12.3540 12.3583 k = 0.2237 0.5000-0.0000 ( 4150 PWs) bands (ev): -32.0270 -32.0270 -32.0270 -32.0270 -13.3466 -13.3466 -13.3455 -13.3455 -13.0029 -13.0029 -12.9751 -12.9751 -12.9572 -12.9572 -12.9303 -12.9303 0.1657 0.1657 0.1671 0.1671 4.5328 4.5328 4.5486 4.5486 6.2080 6.2080 6.2389 6.2389 6.3691 6.3691 6.3763 6.3763 6.6758 6.6758 6.6946 6.6946 7.1780 7.1780 7.1860 7.1860 7.3844 7.3844 7.4328 7.4328 8.1738 8.1738 8.1998 8.1998 8.7774 8.7774 8.8222 8.8222 10.3421 10.3421 10.3519 10.3519 12.3845 12.3941 k = 0.2368 0.5000-0.0000 ( 4146 PWs) bands (ev): -32.0270 -32.0270 -32.0270 -32.0270 -13.3469 -13.3469 -13.3458 -13.3458 -13.0034 -13.0034 -12.9748 -12.9748 -12.9584 -12.9584 -12.9308 -12.9308 0.1854 0.1854 0.1869 0.1869 4.5008 4.5008 4.5165 4.5165 6.2300 6.2300 6.2609 6.2609 6.3953 6.3953 6.4052 6.4052 6.6705 6.6705 6.6862 6.6862 7.1767 7.1767 7.1878 7.1878 7.3854 7.3854 7.4366 7.4366 8.1658 8.1658 8.1921 8.1921 8.7295 8.7295 8.7741 8.7741 10.2608 10.2608 10.2697 10.2697 12.4140 12.4238 k = 0.2500 0.5000-0.0000 ( 4130 PWs) bands (ev): -32.0269 -32.0269 -32.0269 -32.0269 -13.3472 -13.3472 -13.3461 -13.3461 -13.0037 -13.0037 -12.9747 -12.9747 -12.9594 -12.9594 -12.9313 -12.9313 0.2056 0.2056 0.2071 0.2071 4.4680 4.4680 4.4834 4.4834 6.2525 6.2525 6.2833 6.2833 6.4216 6.4216 6.4345 6.4345 6.6669 6.6669 6.6788 6.6788 7.1748 7.1748 7.1884 7.1884 7.3872 7.3872 7.4406 7.4406 8.1566 8.1566 8.1828 8.1828 8.6848 8.6848 8.7286 8.7286 10.1831 10.1831 10.1910 10.1910 12.4437 12.4485 k = 0.2632 0.5000-0.0000 ( 4134 PWs) bands (ev): -32.0268 -32.0268 -32.0268 -32.0268 -13.3476 -13.3476 -13.3465 -13.3465 -13.0041 -13.0041 -12.9749 -12.9749 -12.9601 -12.9601 -12.9319 -12.9319 0.2261 0.2261 0.2276 0.2276 4.4345 4.4345 4.4496 4.4496 6.2750 6.2750 6.3058 6.3058 6.4473 6.4473 6.4638 6.4638 6.6652 6.6652 6.6727 6.6727 7.1724 7.1724 7.1883 7.1883 7.3896 7.3896 7.4445 7.4445 8.1459 8.1459 8.1717 8.1717 8.6431 8.6431 8.6858 8.6858 10.1091 10.1091 10.1161 10.1161 12.4672 12.4754 k = 0.2763 0.5000-0.0000 ( 4140 PWs) bands (ev): -32.0267 -32.0267 -32.0267 -32.0267 -13.3480 -13.3480 -13.3469 -13.3469 -13.0044 -13.0044 -12.9754 -12.9754 -12.9605 -12.9605 -12.9326 -12.9326 0.2468 0.2468 0.2483 0.2483 4.4007 4.4007 4.4153 4.4153 6.2974 6.2974 6.3282 6.3282 6.4722 6.4722 6.4927 6.4927 6.6659 6.6659 6.6679 6.6679 7.1702 7.1702 7.1878 7.1878 7.3923 7.3923 7.4482 7.4482 8.1337 8.1337 8.1588 8.1588 8.6045 8.6045 8.6457 8.6457 10.0393 10.0393 10.0454 10.0454 12.4911 12.4944 k = 0.2895 0.5000-0.0000 ( 4140 PWs) bands (ev): -32.0266 -32.0266 -32.0266 -32.0266 -13.3484 -13.3484 -13.3473 -13.3473 -13.0046 -13.0046 -12.9763 -12.9763 -12.9607 -12.9607 -12.9333 -12.9333 0.2675 0.2675 0.2691 0.2691 4.3668 4.3668 4.3808 4.3808 6.3194 6.3194 6.3501 6.3501 6.4955 6.4955 6.5208 6.5208 6.6649 6.6649 6.6692 6.6692 7.1686 7.1686 7.1878 7.1878 7.3951 7.3951 7.4515 7.4515 8.1200 8.1200 8.1441 8.1441 8.5689 8.5689 8.6080 8.6080 9.9740 9.9740 9.9792 9.9792 12.5117 12.5146 k = 0.3026 0.5000-0.0000 ( 4132 PWs) bands (ev): -32.0265 -32.0265 -32.0265 -32.0265 -13.3487 -13.3487 -13.3477 -13.3477 -13.0047 -13.0047 -12.9773 -12.9773 -12.9605 -12.9605 -12.9340 -12.9340 0.2882 0.2882 0.2897 0.2897 4.3330 4.3330 4.3465 4.3465 6.3407 6.3407 6.3714 6.3714 6.5166 6.5166 6.5472 6.5472 6.6642 6.6642 6.6756 6.6756 7.1682 7.1682 7.1887 7.1887 7.3979 7.3979 7.4544 7.4544 8.1048 8.1048 8.1275 8.1275 8.5358 8.5358 8.5726 8.5726 9.9135 9.9135 9.9178 9.9178 12.5287 12.5366 k = 0.3158 0.5000-0.0000 ( 4136 PWs) bands (ev): -32.0264 -32.0264 -32.0264 -32.0264 -13.3491 -13.3491 -13.3481 -13.3481 -13.0047 -13.0047 -12.9785 -12.9785 -12.9602 -12.9602 -12.9348 -12.9348 0.3086 0.3086 0.3101 0.3101 4.2996 4.2996 4.3125 4.3125 6.3610 6.3610 6.3916 6.3916 6.5351 6.5351 6.5709 6.5709 6.6665 6.6665 6.6851 6.6851 7.1694 7.1694 7.1910 7.1910 7.4005 7.4005 7.4565 7.4565 8.0880 8.0880 8.1091 8.1091 8.5050 8.5050 8.5392 8.5392 9.8581 9.8581 9.8615 9.8615 12.5416 12.5449 k = 0.3289 0.5000-0.0000 ( 4128 PWs) bands (ev): -32.0264 -32.0264 -32.0263 -32.0263 -13.3494 -13.3494 -13.3485 -13.3485 -13.0047 -13.0047 -12.9798 -12.9798 -12.9596 -12.9596 -12.9356 -12.9356 0.3287 0.3287 0.3302 0.3302 4.2670 4.2670 4.2791 4.2791 6.3803 6.3803 6.4105 6.4105 6.5507 6.5507 6.5902 6.5902 6.6732 6.6732 6.6977 6.6977 7.1728 7.1728 7.1953 7.1953 7.4027 7.4027 7.4580 7.4580 8.0697 8.0697 8.0891 8.0891 8.4763 8.4763 8.5077 8.5077 9.8079 9.8079 9.8104 9.8104 12.5494 12.5537 k = 0.3421 0.5000-0.0000 ( 4120 PWs) bands (ev): -32.0263 -32.0263 -32.0263 -32.0263 -13.3497 -13.3497 -13.3488 -13.3488 -13.0046 -13.0046 -12.9812 -12.9812 -12.9590 -12.9590 -12.9364 -12.9364 0.3481 0.3481 0.3496 0.3496 4.2353 4.2353 4.2467 4.2467 6.3981 6.3981 6.4278 6.4278 6.5637 6.5637 6.6040 6.6040 6.6851 6.6851 6.7126 6.7126 7.1788 7.1788 7.2022 7.2022 7.4046 7.4046 7.4588 7.4588 8.0499 8.0499 8.0674 8.0674 8.4495 8.4495 8.4779 8.4779 9.7630 9.7630 9.7648 9.7648 12.5533 12.5546 k = 0.3553 0.5000-0.0000 ( 4128 PWs) bands (ev): -32.0262 -32.0262 -32.0262 -32.0262 -13.3501 -13.3501 -13.3492 -13.3492 -13.0044 -13.0044 -12.9827 -12.9827 -12.9583 -12.9583 -12.9373 -12.9373 0.3669 0.3669 0.3683 0.3683 4.2049 4.2049 4.2154 4.2154 6.4142 6.4142 6.4433 6.4433 6.5744 6.5744 6.6126 6.6126 6.7012 6.7012 6.7289 6.7289 7.1877 7.1877 7.2118 7.2118 7.4059 7.4059 7.4587 7.4587 8.0285 8.0285 8.0440 8.0440 8.4242 8.4242 8.4497 8.4497 9.7233 9.7233 9.7245 9.7245 12.5481 12.5525 k = 0.3684 0.5000-0.0000 ( 4124 PWs) bands (ev): -32.0261 -32.0261 -32.0261 -32.0261 -13.3504 -13.3504 -13.3496 -13.3496 -13.0042 -13.0042 -12.9842 -12.9842 -12.9575 -12.9575 -12.9382 -12.9382 0.3848 0.3848 0.3861 0.3861 4.1760 4.1760 4.1857 4.1857 6.4289 6.4289 6.4569 6.4569 6.5834 6.5834 6.6179 6.6179 6.7197 6.7197 6.7456 6.7456 7.1999 7.1999 7.2245 7.2245 7.4069 7.4069 7.4580 7.4580 8.0056 8.0056 8.0192 8.0192 8.4006 8.4006 8.4231 8.4231 9.6889 9.6889 9.6895 9.6895 12.5377 12.5418 k = 0.3816 0.5000-0.0000 ( 4128 PWs) bands (ev): -32.0261 -32.0261 -32.0261 -32.0261 -13.3507 -13.3507 -13.3499 -13.3499 -13.0038 -13.0038 -12.9857 -12.9857 -12.9566 -12.9566 -12.9391 -12.9391 0.4016 0.4016 0.4028 0.4028 4.1489 4.1489 4.1577 4.1577 6.4419 6.4419 6.4685 6.4685 6.5910 6.5910 6.6211 6.6211 6.7387 6.7387 6.7620 6.7620 7.2154 7.2154 7.2404 7.2404 7.4074 7.4074 7.4565 7.4565 7.9813 7.9813 7.9929 7.9929 8.3787 8.3787 8.3984 8.3984 9.6595 9.6595 9.6596 9.6596 12.5230 12.5260 k = 0.3947 0.5000-0.0000 ( 4124 PWs) bands (ev): -32.0260 -32.0260 -32.0260 -32.0260 -13.3509 -13.3509 -13.3503 -13.3503 -13.0034 -13.0034 -12.9872 -12.9872 -12.9557 -12.9557 -12.9400 -12.9400 0.4171 0.4171 0.4183 0.4183 4.1239 4.1239 4.1318 4.1318 6.4533 6.4533 6.4782 6.4782 6.5976 6.5976 6.6232 6.6232 6.7571 6.7571 6.7775 6.7775 7.2341 7.2341 7.2592 7.2592 7.4077 7.4077 7.4545 7.4545 7.9555 7.9555 7.9654 7.9654 8.3587 8.3587 8.3756 8.3756 9.6345 9.6345 9.6348 9.6348 12.5042 12.5057 k = 0.4079 0.5000-0.0000 ( 4120 PWs) bands (ev): -32.0260 -32.0260 -32.0260 -32.0260 -13.3511 -13.3511 -13.3505 -13.3505 -13.0029 -13.0029 -12.9886 -12.9886 -12.9548 -12.9548 -12.9410 -12.9410 0.4313 0.4313 0.4324 0.4324 4.1012 4.1012 4.1082 4.1082 6.4634 6.4634 6.4862 6.4862 6.6031 6.6031 6.6245 6.6245 6.7743 6.7743 6.7917 6.7917 7.2554 7.2554 7.2805 7.2805 7.4078 7.4078 7.4521 7.4521 7.9287 7.9287 7.9368 7.9368 8.3407 8.3407 8.3550 8.3550 9.6138 9.6138 9.6143 9.6143 12.4825 12.4854 k = 0.4211 0.5000-0.0000 ( 4124 PWs) bands (ev): -32.0259 -32.0259 -32.0259 -32.0259 -13.3513 -13.3513 -13.3508 -13.3508 -13.0024 -13.0024 -12.9900 -12.9900 -12.9539 -12.9539 -12.9420 -12.9420 0.4440 0.4440 0.4449 0.4449 4.0811 4.0811 4.0871 4.0871 6.4721 6.4721 6.4925 6.4925 6.6076 6.6076 6.6250 6.6250 6.7899 6.7899 6.8043 6.8043 7.2787 7.2787 7.3036 7.3036 7.4078 7.4078 7.4494 7.4494 7.9012 7.9012 7.9076 7.9076 8.3249 8.3249 8.3368 8.3368 9.5971 9.5971 9.5978 9.5978 12.4603 12.4636 k = 0.4342 0.5000-0.0000 ( 4122 PWs) bands (ev): -32.0259 -32.0259 -32.0259 -32.0259 -13.3515 -13.3515 -13.3511 -13.3511 -13.0017 -13.0017 -12.9914 -12.9914 -12.9529 -12.9529 -12.9429 -12.9429 0.4550 0.4550 0.4558 0.4558 4.0638 4.0638 4.0688 4.0688 6.4797 6.4797 6.4973 6.4973 6.6114 6.6114 6.6251 6.6251 6.8036 6.8036 6.8151 6.8151 7.3029 7.3029 7.3276 7.3276 7.4080 7.4080 7.4468 7.4468 7.8737 7.8737 7.8786 7.8786 8.3115 8.3115 8.3210 8.3210 9.5840 9.5840 9.5847 9.5847 12.4393 12.4397 k = 0.4474 0.5000-0.0000 ( 4124 PWs) bands (ev): -32.0259 -32.0259 -32.0259 -32.0259 -13.3516 -13.3516 -13.3513 -13.3513 -13.0010 -13.0010 -12.9927 -12.9927 -12.9520 -12.9520 -12.9440 -12.9440 0.4642 0.4642 0.4648 0.4648 4.0494 4.0494 4.0535 4.0535 6.4862 6.4862 6.5007 6.5007 6.6143 6.6143 6.6247 6.6247 6.8152 6.8152 6.8240 6.8240 7.3266 7.3266 7.3507 7.3507 7.4089 7.4089 7.4443 7.4443 7.8472 7.8472 7.8508 7.8508 8.3006 8.3006 8.3080 8.3080 9.5739 9.5739 9.5747 9.5747 12.4199 12.4211 k = 0.4605 0.5000-0.0000 ( 4134 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3517 -13.3517 -13.3515 -13.3515 -13.0002 -13.0002 -12.9940 -12.9940 -12.9510 -12.9510 -12.9450 -12.9450 0.4715 0.4715 0.4720 0.4720 4.0382 4.0382 4.0413 4.0413 6.4916 6.4916 6.5028 6.5028 6.6165 6.6165 6.6240 6.6240 6.8246 6.8246 6.8309 6.8309 7.3483 7.3483 7.3706 7.3706 7.4114 7.4114 7.4423 7.4423 7.8232 7.8232 7.8256 7.8256 8.2922 8.2922 8.2976 8.2976 9.5666 9.5666 9.5673 9.5673 12.4043 12.4059 k = 0.4737 0.5000-0.0000 ( 4140 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3518 -13.3518 -13.3516 -13.3516 -12.9994 -12.9994 -12.9952 -12.9952 -12.9500 -12.9500 -12.9460 -12.9460 0.4768 0.4768 0.4771 0.4771 4.0302 4.0302 4.0323 4.0323 6.4961 6.4961 6.5036 6.5036 6.6183 6.6183 6.6231 6.6231 6.8316 6.8316 6.8357 6.8357 7.3661 7.3661 7.3835 7.3835 7.4175 7.4175 7.4406 7.4406 7.8036 7.8036 7.8051 7.8051 8.2865 8.2865 8.2900 8.2900 9.5618 9.5618 9.5622 9.5622 12.3924 12.3941 k = 0.4868 0.5000-0.0000 ( 4160 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3519 -13.3519 -13.3518 -13.3518 -12.9985 -12.9985 -12.9964 -12.9964 -12.9490 -12.9490 -12.9470 -12.9470 0.4800 0.4800 0.4802 0.4802 4.0256 4.0256 4.0266 4.0266 6.4995 6.4995 6.5033 6.5033 6.6197 6.6197 6.6220 6.6220 6.8361 6.8361 6.8381 6.8381 7.3787 7.3787 7.3878 7.3878 7.4264 7.4264 7.4383 7.4383 7.7906 7.7906 7.7913 7.7913 8.2834 8.2834 8.2851 8.2851 9.5590 9.5590 9.5592 9.5592 12.3854 12.3859 k = 0.5000 0.5000-0.0000 ( 4160 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3518 -13.3518 -13.3518 -13.3518 -12.9975 -12.9975 -12.9975 -12.9975 -12.9480 -12.9480 -12.9480 -12.9480 0.4811 0.4811 0.4811 0.4811 4.0244 4.0244 4.0244 4.0244 6.5019 6.5019 6.5019 6.5019 6.6209 6.6209 6.6209 6.6209 6.8383 6.8383 6.8383 6.8383 7.3858 7.3858 7.3858 7.3858 7.4340 7.4340 7.4340 7.4340 7.7862 7.7862 7.7862 7.7862 8.2829 8.2829 8.2829 8.2829 9.5581 9.5581 9.5581 9.5581 12.3831 12.3831 k = 0.5000 0.5000-0.0000 ( 4160 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3518 -13.3518 -13.3518 -13.3518 -12.9975 -12.9975 -12.9975 -12.9975 -12.9480 -12.9480 -12.9480 -12.9480 0.4811 0.4811 0.4811 0.4811 4.0244 4.0244 4.0244 4.0244 6.5019 6.5019 6.5019 6.5019 6.6209 6.6209 6.6209 6.6209 6.8383 6.8383 6.8383 6.8383 7.3858 7.3858 7.3858 7.3858 7.4340 7.4340 7.4340 7.4340 7.7862 7.7862 7.7862 7.7862 8.2829 8.2829 8.2829 8.2829 9.5581 9.5581 9.5581 9.5581 12.3831 12.3831 k = 0.4906 0.4906-0.0000 ( 4160 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3519 -13.3519 -13.3518 -13.3518 -12.9985 -12.9985 -12.9964 -12.9964 -12.9491 -12.9491 -12.9470 -12.9470 0.4787 0.4787 0.4815 0.4815 4.0256 4.0256 4.0268 4.0268 6.4994 6.4994 6.5033 6.5033 6.6197 6.6197 6.6221 6.6221 6.8353 6.8353 6.8389 6.8389 7.3785 7.3785 7.3880 7.3880 7.4261 7.4261 7.4384 7.4384 7.7907 7.7907 7.7914 7.7914 8.2827 8.2827 8.2858 8.2858 9.5588 9.5588 9.5594 9.5594 12.3857 12.3868 k = 0.4811 0.4811-0.0000 ( 4140 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3519 -13.3519 -13.3516 -13.3516 -12.9994 -12.9994 -12.9952 -12.9952 -12.9500 -12.9500 -12.9460 -12.9460 0.4712 0.4712 0.4824 0.4824 4.0298 4.0298 4.0331 4.0331 6.4959 6.4959 6.5038 6.5038 6.6183 6.6183 6.6230 6.6230 6.8271 6.8271 6.8399 6.8399 7.3647 7.3647 7.3862 7.3862 7.4146 7.4146 7.4408 7.4408 7.8045 7.8045 7.8059 7.8059 8.2830 8.2830 8.2937 8.2937 9.5609 9.5609 9.5632 9.5632 12.3960 12.3985 k = 0.4717 0.4717-0.0000 ( 4134 PWs) bands (ev): -32.0259 -32.0259 -32.0258 -32.0258 -13.3519 -13.3519 -13.3513 -13.3513 -13.0003 -13.0003 -12.9940 -12.9940 -12.9510 -12.9510 -12.9449 -12.9449 0.4590 0.4590 0.4839 0.4839 4.0370 4.0370 4.0435 4.0435 6.4912 6.4912 6.5032 6.5032 6.6167 6.6167 6.6237 6.6237 6.8135 6.8135 6.8414 6.8414 7.3442 7.3442 7.3818 7.3818 7.4001 7.4001 7.4427 7.4427 7.8258 7.8258 7.8281 7.8281 8.2834 8.2834 8.3063 8.3063 9.5643 9.5643 9.5698 9.5698 12.4086 12.4141 k = 0.4623 0.4623-0.0000 ( 4124 PWs) bands (ev): -32.0260 -32.0260 -32.0257 -32.0257 -13.3519 -13.3519 -13.3510 -13.3510 -13.0011 -13.0011 -12.9926 -12.9926 -12.9520 -12.9520 -12.9439 -12.9439 0.4419 0.4419 0.4860 0.4860 4.0470 4.0470 4.0579 4.0579 6.4854 6.4854 6.5016 6.5016 6.6145 6.6145 6.6240 6.6240 6.7949 6.7949 6.8434 6.8434 7.3181 7.3181 7.3753 7.3753 7.3843 7.3843 7.4447 7.4447 7.8532 7.8532 7.8564 7.8564 8.2840 8.2840 8.3233 8.3233 9.5691 9.5691 9.5795 9.5795 12.4035 12.4299 k = 0.4528 0.4528-0.0000 ( 4118 PWs) bands (ev): -32.0261 -32.0261 -32.0257 -32.0257 -13.3519 -13.3519 -13.3506 -13.3506 -13.0018 -13.0018 -12.9913 -12.9913 -12.9530 -12.9530 -12.9428 -12.9428 0.4204 0.4204 0.4887 0.4887 4.0599 4.0599 4.0761 4.0761 6.4786 6.4786 6.4991 6.4991 6.6115 6.6115 6.6236 6.6236 6.7718 6.7718 6.8459 6.8459 7.2880 7.2880 7.3618 7.3618 7.3738 7.3738 7.4468 7.4468 7.8853 7.8853 7.8896 7.8896 8.2847 8.2847 8.3438 8.3438 9.5753 9.5753 9.5927 9.5927 12.4128 12.4367 k = 0.4434 0.4434-0.0000 ( 4126 PWs) bands (ev): -32.0262 -32.0262 -32.0257 -32.0257 -13.3520 -13.3520 -13.3501 -13.3501 -13.0024 -13.0024 -12.9899 -12.9899 -12.9540 -12.9540 -12.9418 -12.9418 0.3944 0.3944 0.4919 0.4919 4.0756 4.0756 4.0981 4.0981 6.4708 6.4708 6.4955 6.4955 6.6068 6.6068 6.6223 6.6223 6.7449 6.7449 6.8491 6.8491 7.2557 7.2557 7.3432 7.3432 7.3678 7.3678 7.4488 7.4488 7.9208 7.9208 7.9266 7.9266 8.2856 8.2856 8.3673 8.3673 9.5828 9.5828 9.6098 9.6098 12.4231 12.4269 k = 0.4340 0.4340-0.0000 ( 4126 PWs) bands (ev): -32.0263 -32.0263 -32.0256 -32.0256 -13.3520 -13.3520 -13.3496 -13.3496 -13.0030 -13.0030 -12.9884 -12.9884 -12.9550 -12.9550 -12.9408 -12.9408 0.3643 0.3643 0.4956 0.4956 4.0941 4.0941 4.1236 4.1236 6.4622 6.4622 6.4910 6.4910 6.5994 6.5994 6.6197 6.6197 6.7160 6.7160 6.8528 6.8528 7.2226 7.2226 7.3242 7.3242 7.3630 7.3630 7.4508 7.4508 7.9592 7.9592 7.9666 7.9666 8.2867 8.2867 8.3928 8.3928 9.5917 9.5917 9.6316 9.6316 12.4338 12.4348 k = 0.4245 0.4245-0.0000 ( 4128 PWs) bands (ev): -32.0265 -32.0265 -32.0256 -32.0256 -13.3521 -13.3521 -13.3489 -13.3489 -13.0034 -13.0034 -12.9869 -12.9869 -12.9560 -12.9560 -12.9398 -12.9398 0.3304 0.3304 0.4997 0.4997 4.1155 4.1155 4.1524 4.1524 6.4530 6.4530 6.4855 6.4855 6.5867 6.5867 6.6152 6.6152 6.6876 6.6876 6.8571 6.8571 7.1900 7.1900 7.3059 7.3059 7.3590 7.3590 7.4526 7.4526 7.9998 7.9998 8.0091 8.0091 8.2881 8.2881 8.4196 8.4196 9.6018 9.6018 9.6584 9.6584 12.4439 12.4441 k = 0.4151 0.4151-0.0000 ( 4130 PWs) bands (ev): -32.0266 -32.0266 -32.0255 -32.0255 -13.3522 -13.3522 -13.3482 -13.3482 -13.0038 -13.0038 -12.9854 -12.9854 -12.9570 -12.9570 -12.9388 -12.9388 0.2929 0.2929 0.5042 0.5042 4.1397 4.1397 4.1844 4.1844 6.4433 6.4433 6.4789 6.4789 6.5653 6.5653 6.6077 6.6077 6.6641 6.6641 6.8620 6.8620 7.1590 7.1590 7.2889 7.2889 7.3558 7.3558 7.4544 7.4544 8.0423 8.0423 8.0537 8.0537 8.2898 8.2898 8.4469 8.4469 9.6133 9.6133 9.6909 9.6909 12.4529 12.4547 k = 0.4057 0.4057-0.0000 ( 4134 PWs) bands (ev): -32.0268 -32.0268 -32.0255 -32.0255 -13.3523 -13.3523 -13.3474 -13.3474 -13.0042 -13.0042 -12.9838 -12.9838 -12.9580 -12.9580 -12.9378 -12.9378 0.2522 0.2522 0.5090 0.5090 4.1666 4.1666 4.2194 4.2194 6.4330 6.4330 6.4713 6.4713 6.5333 6.5333 6.5960 6.5960 6.6485 6.6485 6.8675 6.8675 7.1308 7.1308 7.2734 7.2734 7.3533 7.3533 7.4562 7.4562 8.0864 8.0864 8.1000 8.1000 8.2920 8.2920 8.4744 8.4744 9.6261 9.6261 9.7295 9.7295 12.4604 12.4610 k = 0.3962 0.3962-0.0000 ( 4136 PWs) bands (ev): -32.0271 -32.0271 -32.0254 -32.0254 -13.3524 -13.3524 -13.3465 -13.3465 -13.0044 -13.0044 -12.9822 -12.9822 -12.9590 -12.9590 -12.9368 -12.9368 0.2084 0.2084 0.5141 0.5141 4.1963 4.1963 4.2570 4.2570 6.4223 6.4223 6.4622 6.4622 6.4926 6.4926 6.5800 6.5800 6.6392 6.6392 6.8735 6.8735 7.1064 7.1064 7.2598 7.2598 7.3516 7.3516 7.4580 7.4580 8.1317 8.1317 8.1475 8.1475 8.2950 8.2950 8.5016 8.5016 9.6401 9.6401 9.7745 9.7745 12.4655 12.4680 k = 0.3868 0.3868-0.0000 ( 4136 PWs) bands (ev): -32.0273 -32.0273 -32.0253 -32.0253 -13.3525 -13.3525 -13.3455 -13.3455 -13.0045 -13.0045 -12.9805 -12.9805 -12.9599 -12.9599 -12.9359 -12.9359 0.1620 0.1620 0.5194 0.5194 4.2288 4.2288 4.2971 4.2971 6.4101 6.4101 6.4431 6.4431 6.4559 6.4559 6.5597 6.5597 6.6331 6.6331 6.8802 6.8802 7.0865 7.0865 7.2482 7.2482 7.3506 7.3506 7.4600 7.4600 8.1782 8.1782 8.1950 8.1950 8.3000 8.3000 8.5280 8.5280 9.6554 9.6554 9.8262 9.8262 12.4686 12.4723 k = 0.3774 0.3774-0.0000 ( 4130 PWs) bands (ev): -32.0275 -32.0275 -32.0253 -32.0253 -13.3525 -13.3525 -13.3445 -13.3445 -13.0045 -13.0045 -12.9788 -12.9788 -12.9608 -12.9608 -12.9349 -12.9349 0.1133 0.1133 0.5248 0.5248 4.2639 4.2639 4.3395 4.3395 6.3840 6.3840 6.4084 6.4084 6.4434 6.4434 6.5353 6.5353 6.6283 6.6283 6.8875 6.8875 7.0717 7.0717 7.2387 7.2387 7.3503 7.3503 7.4624 7.4624 8.2255 8.2255 8.2389 8.2389 8.3106 8.3106 8.5537 8.5537 9.6719 9.6719 9.8846 9.8846 12.4691 12.4691 k = 0.3679 0.3679-0.0000 ( 4146 PWs) bands (ev): -32.0278 -32.0278 -32.0252 -32.0252 -13.3527 -13.3527 -13.3434 -13.3434 -13.0045 -13.0045 -12.9772 -12.9772 -12.9617 -12.9617 -12.9340 -12.9340 0.0625 0.0625 0.5302 0.5302 4.3017 4.3017 4.3839 4.3839 6.3326 6.3326 6.3938 6.3938 6.4314 6.4314 6.5073 6.5073 6.6240 6.6240 6.8953 6.8953 7.0619 7.0619 7.2312 7.2312 7.3504 7.3504 7.4650 7.4650 8.2660 8.2660 8.2767 8.2767 8.3367 8.3367 8.5786 8.5786 9.6895 9.6895 9.9495 9.9495 12.4672 12.4672 k = 0.3585 0.3585-0.0000 ( 4140 PWs) bands (ev): -32.0281 -32.0281 -32.0251 -32.0251 -13.3528 -13.3528 -13.3422 -13.3422 -13.0043 -13.0043 -12.9755 -12.9755 -12.9626 -12.9626 -12.9331 -12.9331 0.0099 0.0099 0.5356 0.5356 4.3421 4.3421 4.4302 4.4302 6.2758 6.2758 6.3818 6.3818 6.4185 6.4185 6.4769 6.4769 6.6197 6.6197 6.9038 6.9038 7.0572 7.0572 7.2260 7.2260 7.3511 7.3511 7.4681 7.4681 8.2801 8.2801 8.3249 8.3249 8.3812 8.3812 8.6030 8.6030 9.7083 9.7083 10.0208 10.0208 12.4614 12.4622 k = 0.3491 0.3491-0.0000 ( 4144 PWs) bands (ev): -32.0284 -32.0284 -32.0250 -32.0250 -13.3529 -13.3529 -13.3410 -13.3410 -13.0041 -13.0041 -12.9738 -12.9738 -12.9633 -12.9633 -12.9322 -12.9322 -0.0442 -0.0442 0.5408 0.5408 4.3852 4.3852 4.4779 4.4779 6.2168 6.2168 6.3691 6.3691 6.4033 6.4033 6.4465 6.4465 6.6151 6.6151 6.9128 6.9128 7.0570 7.0570 7.2227 7.2227 7.3521 7.3521 7.4718 7.4718 8.2862 8.2862 8.3750 8.3750 8.4340 8.4340 8.6269 8.6269 9.7281 9.7281 10.0981 10.0981 12.4387 12.4473 k = 0.3396 0.3396-0.0000 ( 4142 PWs) bands (ev): -32.0287 -32.0287 -32.0249 -32.0249 -13.3531 -13.3531 -13.3397 -13.3397 -13.0038 -13.0038 -12.9723 -12.9723 -12.9639 -12.9639 -12.9313 -12.9313 -0.0995 -0.0995 0.5460 0.5460 4.4308 4.4308 4.5271 4.5271 6.1564 6.1564 6.3537 6.3537 6.3830 6.3830 6.4215 6.4215 6.6102 6.6102 6.9224 6.9224 7.0609 7.0609 7.2215 7.2215 7.3534 7.3534 7.4762 7.4762 8.2899 8.2899 8.4261 8.4261 8.4905 8.4905 8.6508 8.6508 9.7490 9.7490 10.1810 10.1810 12.3998 12.4042 k = 0.3302 0.3302-0.0000 ( 4150 PWs) bands (ev): -32.0290 -32.0290 -32.0248 -32.0248 -13.3532 -13.3532 -13.3383 -13.3383 -13.0035 -13.0035 -12.9710 -12.9710 -12.9643 -12.9643 -12.9304 -12.9304 -0.1557 -0.1557 0.5508 0.5508 4.4789 4.4789 4.5773 4.5773 6.0949 6.0949 6.3312 6.3312 6.3596 6.3596 6.4053 6.4053 6.6047 6.6047 6.9326 6.9326 7.0682 7.0682 7.2221 7.2221 7.3549 7.3549 7.4812 7.4812 8.2927 8.2927 8.4778 8.4778 8.5490 8.5490 8.6750 8.6750 9.7709 9.7709 10.2689 10.2689 12.3661 12.3833 k = 0.3208 0.3208-0.0000 ( 4150 PWs) bands (ev): -32.0293 -32.0293 -32.0247 -32.0247 -13.3533 -13.3533 -13.3369 -13.3369 -13.0030 -13.0030 -12.9703 -12.9703 -12.9641 -12.9641 -12.9296 -12.9296 -0.2127 -0.2127 0.5553 0.5553 4.5294 4.5294 4.6284 4.6284 6.0328 6.0328 6.2982 6.2982 6.3401 6.3401 6.3951 6.3951 6.5988 6.5988 6.9434 6.9434 7.0787 7.0787 7.2244 7.2244 7.3566 7.3566 7.4870 7.4870 8.2950 8.2950 8.5304 8.5304 8.6091 8.6091 8.7000 8.7000 9.7936 9.7936 10.3612 10.3612 12.3329 12.3396 k = 0.3113 0.3113-0.0000 ( 4154 PWs) bands (ev): -32.0296 -32.0296 -32.0246 -32.0246 -13.3535 -13.3535 -13.3354 -13.3354 -13.0025 -13.0025 -12.9701 -12.9701 -12.9632 -12.9632 -12.9287 -12.9287 -0.2701 -0.2701 0.5595 0.5595 4.5823 4.5823 4.6802 4.6802 5.9705 5.9705 6.2599 6.2599 6.3228 6.3228 6.3882 6.3882 6.5923 6.5923 6.9546 6.9546 7.0918 7.0918 7.2282 7.2282 7.3585 7.3585 7.4935 7.4935 8.2971 8.2971 8.5837 8.5837 8.6704 8.6704 8.7262 8.7262 9.8172 9.8172 10.4574 10.4574 12.3001 12.3007 k = 0.3019 0.3019-0.0000 ( 4154 PWs) bands (ev): -32.0300 -32.0300 -32.0245 -32.0245 -13.3536 -13.3536 -13.3340 -13.3340 -13.0020 -13.0020 -12.9704 -12.9704 -12.9618 -12.9618 -12.9280 -12.9280 -0.3278 -0.3278 0.5632 0.5632 4.6376 4.6376 4.7324 4.7324 5.9083 5.9083 6.2197 6.2197 6.3056 6.3056 6.3837 6.3837 6.5853 6.5853 6.9663 6.9663 7.1073 7.1073 7.2333 7.2333 7.3606 7.3606 7.5007 7.5007 8.2989 8.2989 8.6375 8.6375 8.7323 8.7323 8.7546 8.7546 9.8415 9.8415 10.5568 10.5568 12.2680 12.2687 k = 0.2925 0.2925-0.0000 ( 4154 PWs) bands (ev): -32.0303 -32.0303 -32.0244 -32.0244 -13.3537 -13.3537 -13.3324 -13.3324 -13.0013 -13.0013 -12.9709 -12.9709 -12.9602 -12.9602 -12.9272 -12.9272 -0.3855 -0.3855 0.5664 0.5664 4.6950 4.6950 4.7847 4.7847 5.8465 5.8465 6.1792 6.1792 6.2882 6.2882 6.3813 6.3813 6.5778 6.5778 6.9784 6.9784 7.1248 7.1248 7.2395 7.2395 7.3630 7.3630 7.5085 7.5085 8.3007 8.3007 8.6921 8.6921 8.7819 8.7819 8.7981 8.7981 9.8664 9.8664 10.6587 10.6587 12.2367 12.2367 k = 0.2830 0.2830-0.0000 ( 4148 PWs) bands (ev): -32.0307 -32.0307 -32.0243 -32.0243 -13.3539 -13.3539 -13.3308 -13.3308 -13.0006 -13.0006 -12.9716 -12.9716 -12.9584 -12.9584 -12.9265 -12.9265 -0.4431 -0.4431 0.5691 0.5691 4.7546 4.7546 4.8368 4.8368 5.7856 5.7856 6.1390 6.1390 6.2706 6.2706 6.3806 6.3806 6.5698 6.5698 6.9909 6.9909 7.1440 7.1440 7.2466 7.2466 7.3659 7.3659 7.5169 7.5169 8.3023 8.3023 8.7473 8.7473 8.8149 8.8149 8.8614 8.8614 9.8917 9.8917 10.7624 10.7624 12.2062 12.2062 k = 0.2736 0.2736-0.0000 ( 4152 PWs) bands (ev): -32.0310 -32.0310 -32.0242 -32.0242 -13.3540 -13.3540 -13.3292 -13.3292 -12.9999 -12.9999 -12.9723 -12.9723 -12.9565 -12.9565 -12.9258 -12.9258 -0.5003 -0.5003 0.5711 0.5711 4.8161 4.8161 4.8884 4.8884 5.7260 5.7260 6.0995 6.0995 6.2527 6.2527 6.3815 6.3815 6.5614 6.5614 7.0038 7.0038 7.1648 7.1648 7.2541 7.2541 7.3695 7.3695 7.5257 7.5257 8.3038 8.3038 8.8029 8.8029 8.8501 8.8501 8.9261 8.9261 9.9174 9.9174 10.8669 10.8669 12.1767 12.1767 k = 0.2642 0.2642-0.0000 ( 4156 PWs) bands (ev): -32.0314 -32.0314 -32.0241 -32.0241 -13.3542 -13.3542 -13.3276 -13.3276 -12.9991 -12.9991 -12.9730 -12.9730 -12.9546 -12.9546 -12.9252 -12.9252 -0.5571 -0.5571 0.5726 0.5726 4.8792 4.8792 4.9393 4.9393 5.6681 5.6681 6.0610 6.0610 6.2347 6.2347 6.3839 6.3839 6.5525 6.5525 7.0168 7.0168 7.1868 7.1868 7.2621 7.2621 7.3740 7.3740 7.5348 7.5348 8.3051 8.3051 8.8587 8.8587 8.8887 8.8887 8.9914 8.9914 9.9432 9.9432 10.9715 10.9715 12.1480 12.1480 k = 0.2547 0.2547-0.0000 ( 4164 PWs) bands (ev): -32.0318 -32.0318 -32.0240 -32.0240 -13.3543 -13.3543 -13.3259 -13.3259 -12.9983 -12.9983 -12.9738 -12.9738 -12.9526 -12.9526 -12.9246 -12.9246 -0.6131 -0.6131 0.5734 0.5734 4.9432 4.9432 4.9893 4.9893 5.6128 5.6128 6.0238 6.0238 6.2168 6.2168 6.3878 6.3878 6.5434 6.5434 7.0299 7.0299 7.2099 7.2099 7.2700 7.2700 7.3799 7.3799 7.5441 7.5441 8.3062 8.3062 8.9135 8.9135 8.9322 8.9322 9.0572 9.0572 9.9690 9.9690 11.0751 11.0751 12.1200 12.1200 k = 0.2453 0.2453-0.0000 ( 4162 PWs) bands (ev): -32.0321 -32.0321 -32.0239 -32.0239 -13.3544 -13.3544 -13.3243 -13.3243 -12.9974 -12.9974 -12.9745 -12.9745 -12.9507 -12.9507 -12.9240 -12.9240 -0.6683 -0.6683 0.5736 0.5736 5.0054 5.0054 5.0399 5.0399 5.5612 5.5612 5.9879 5.9879 6.1991 6.1991 6.3930 6.3930 6.5340 6.5340 7.0430 7.0430 7.2339 7.2339 7.2777 7.2777 7.3874 7.3874 7.5536 7.5536 8.3071 8.3071 8.9652 8.9652 8.9832 8.9832 9.1234 9.1234 9.9944 9.9944 11.1765 11.1765 12.0926 12.0926 k = 0.2358 0.2358-0.0000 ( 4162 PWs) bands (ev): -32.0325 -32.0325 -32.0237 -32.0237 -13.3545 -13.3545 -13.3226 -13.3226 -12.9965 -12.9965 -12.9751 -12.9751 -12.9487 -12.9487 -12.9235 -12.9235 -0.7225 -0.7225 0.5732 0.5732 5.0576 5.0576 5.0973 5.0973 5.5150 5.5150 5.9535 5.9535 6.1816 6.1816 6.3994 6.3994 6.5245 6.5245 7.0561 7.0561 7.2583 7.2583 7.2850 7.2850 7.3968 7.3968 7.5629 7.5629 8.3078 8.3078 9.0158 9.0158 9.0398 9.0398 9.1897 9.1897 10.0191 10.0191 11.2743 11.2743 12.0655 12.0655 k = 0.2264 0.2264-0.0000 ( 4156 PWs) bands (ev): -32.0329 -32.0329 -32.0236 -32.0236 -13.3546 -13.3546 -13.3209 -13.3209 -12.9956 -12.9956 -12.9758 -12.9758 -12.9467 -12.9467 -12.9229 -12.9229 -0.7756 -0.7756 0.5721 0.5721 5.0948 5.0948 5.1638 5.1638 5.4770 5.4770 5.9207 5.9207 6.1644 6.1644 6.4069 6.4069 6.5152 6.5152 7.0689 7.0689 7.2826 7.2826 7.2923 7.2923 7.4083 7.4083 7.5722 7.5722 8.3082 8.3082 9.0688 9.0688 9.0988 9.0988 9.2562 9.2562 10.0428 10.0428 11.3670 11.3670 12.0383 12.0383 k = 0.2170 0.2170-0.0000 ( 4154 PWs) bands (ev): -32.0332 -32.0332 -32.0235 -32.0235 -13.3547 -13.3547 -13.3192 -13.3192 -12.9948 -12.9948 -12.9763 -12.9763 -12.9448 -12.9448 -12.9225 -12.9225 -0.8274 -0.8274 0.5704 0.5704 5.1172 5.1172 5.2347 5.2347 5.4514 5.4514 5.8895 5.8895 6.1476 6.1476 6.4150 6.4150 6.5063 6.5063 7.0812 7.0812 7.2975 7.2975 7.3087 7.3087 7.4221 7.4221 7.5812 7.5812 8.3083 8.3083 9.1255 9.1255 9.1592 9.1592 9.3226 9.3226 10.0650 10.0650 11.4527 11.4527 12.0108 12.0108 k = 0.2075 0.2075-0.0000 ( 4152 PWs) bands (ev): -32.0336 -32.0336 -32.0234 -32.0234 -13.3548 -13.3548 -13.3175 -13.3175 -12.9939 -12.9939 -12.9769 -12.9769 -12.9428 -12.9428 -12.9220 -12.9220 -0.8778 -0.8778 0.5682 0.5682 5.1228 5.1228 5.3079 5.3079 5.4423 5.4423 5.8600 5.8600 6.1312 6.1312 6.4232 6.4232 6.4982 6.4982 7.0927 7.0927 7.3045 7.3045 7.3325 7.3325 7.4383 7.4383 7.5900 7.5900 8.3080 8.3080 9.1862 9.1862 9.2207 9.2207 9.3888 9.3888 10.0853 10.0853 11.5292 11.5292 11.9824 11.9825 k = 0.1981 0.1981-0.0000 ( 4160 PWs) bands (ev): -32.0339 -32.0339 -32.0233 -32.0233 -13.3550 -13.3550 -13.3159 -13.3159 -12.9932 -12.9932 -12.9774 -12.9774 -12.9409 -12.9409 -12.9217 -12.9217 -0.9268 -0.9268 0.5653 0.5653 5.1113 5.1113 5.3824 5.3824 5.4505 5.4505 5.8321 5.8321 6.1153 6.1153 6.4305 6.4305 6.4921 6.4921 7.1029 7.1029 7.3116 7.3116 7.3558 7.3558 7.4567 7.4567 7.5985 7.5985 8.3072 8.3072 9.2511 9.2511 9.2831 9.2831 9.4547 9.4547 10.1030 10.1030 11.5949 11.5949 11.9529 11.9529 k = 0.1887 0.1887-0.0000 ( 4160 PWs) bands (ev): -32.0343 -32.0343 -32.0232 -32.0232 -13.3551 -13.3551 -13.3142 -13.3142 -12.9925 -12.9925 -12.9777 -12.9777 -12.9390 -12.9390 -12.9213 -12.9213 -0.9741 -0.9741 0.5620 0.5620 5.0869 5.0869 5.4555 5.4555 5.4745 5.4745 5.8060 5.8060 6.0999 6.0999 6.4350 6.4350 6.4897 6.4897 7.1120 7.1120 7.3197 7.3197 7.3781 7.3781 7.4773 7.4773 7.6068 7.6068 8.3060 8.3060 9.3204 9.3204 9.3465 9.3465 9.5202 9.5202 10.1174 10.1174 11.6481 11.6481 11.9217 11.9217 k = 0.1792 0.1792-0.0000 ( 4156 PWs) bands (ev): -32.0346 -32.0346 -32.0231 -32.0231 -13.3552 -13.3552 -13.3126 -13.3126 -12.9918 -12.9918 -12.9780 -12.9780 -12.9371 -12.9371 -12.9210 -12.9210 -1.0198 -1.0198 0.5582 0.5582 5.0546 5.0546 5.4986 5.4986 5.5375 5.5375 5.7816 5.7816 6.0851 6.0851 6.4347 6.4347 6.4930 6.4930 7.1193 7.1193 7.3291 7.3291 7.3992 7.3992 7.4996 7.4996 7.6150 7.6150 8.3041 8.3041 9.3939 9.3939 9.4110 9.4110 9.5851 9.5851 10.1279 10.1279 11.6886 11.6886 11.8886 11.8886 k = 0.1698 0.1698-0.0000 ( 4158 PWs) bands (ev): -32.0349 -32.0349 -32.0230 -32.0230 -13.3553 -13.3553 -13.3110 -13.3110 -12.9913 -12.9913 -12.9781 -12.9781 -12.9354 -12.9354 -12.9207 -12.9207 -1.0636 -1.0636 0.5541 0.5541 5.0184 5.0184 5.5329 5.5329 5.6136 5.6136 5.7594 5.7594 6.0709 6.0709 6.4300 6.4300 6.5014 6.5014 7.1247 7.1247 7.3402 7.3402 7.4190 7.4190 7.5231 7.5231 7.6233 7.6233 8.3016 8.3016 9.4714 9.4714 9.4768 9.4768 9.6492 9.6492 10.1336 10.1336 11.7169 11.7169 11.8508 11.8508 k = 0.1604 0.1604-0.0000 ( 4158 PWs) bands (ev): -32.0352 -32.0352 -32.0229 -32.0229 -13.3553 -13.3553 -13.3095 -13.3095 -12.9909 -12.9909 -12.9781 -12.9781 -12.9336 -12.9336 -12.9204 -12.9204 -1.1056 -1.1056 0.5496 0.5496 4.9807 4.9807 5.5686 5.5686 5.6869 5.6869 5.7424 5.7424 6.0574 6.0574 6.4228 6.4228 6.5131 6.5131 7.1278 7.1278 7.3533 7.3533 7.4378 7.4378 7.5469 7.5469 7.6322 7.6322 8.2983 8.2983 9.5423 9.5423 9.5543 9.5543 9.7124 9.7124 10.1337 10.1337 11.7342 11.7342 11.7966 11.7966 k = 0.1509 0.1509-0.0000 ( 4142 PWs) bands (ev): -32.0355 -32.0355 -32.0228 -32.0228 -13.3554 -13.3554 -13.3080 -13.3080 -12.9905 -12.9905 -12.9779 -12.9779 -12.9319 -12.9319 -12.9202 -12.9202 -1.1456 -1.1456 0.5448 0.5448 4.9430 4.9430 5.6047 5.6047 5.7099 5.7099 5.7777 5.7777 6.0447 6.0447 6.4143 6.4143 6.5266 6.5266 7.1289 7.1289 7.3686 7.3686 7.4556 7.4556 7.5698 7.5698 7.6425 7.6425 8.2941 8.2941 9.6097 9.6097 9.6403 9.6403 9.7747 9.7747 10.1276 10.1276 11.7334 11.7334 11.7512 11.7512 k = 0.1415 0.1415-0.0000 ( 4138 PWs) bands (ev): -32.0358 -32.0358 -32.0227 -32.0227 -13.3554 -13.3554 -13.3065 -13.3065 -12.9904 -12.9904 -12.9776 -12.9776 -12.9303 -12.9303 -12.9199 -12.9199 -1.1835 -1.1835 0.5399 0.5399 4.9060 4.9060 5.6402 5.6402 5.6946 5.6946 5.8524 5.8524 6.0326 6.0326 6.4053 6.4053 6.5412 6.5412 7.1276 7.1276 7.3860 7.3860 7.4725 7.4725 7.5902 7.5902 7.6554 7.6554 8.2890 8.2890 9.6779 9.6779 9.7300 9.7300 9.8358 9.8358 10.1147 10.1147 11.6903 11.6903 11.7438 11.7438 k = 0.1321 0.1321-0.0000 ( 4138 PWs) bands (ev): -32.0361 -32.0361 -32.0226 -32.0226 -13.3555 -13.3555 -13.3052 -13.3052 -12.9903 -12.9903 -12.9773 -12.9773 -12.9287 -12.9287 -12.9197 -12.9197 -1.2194 -1.2194 0.5348 0.5348 4.8704 4.8704 5.6734 5.6734 5.6796 5.6796 5.9289 5.9289 6.0214 6.0214 6.3961 6.3961 6.5562 6.5562 7.1243 7.1243 7.4052 7.4052 7.4887 7.4887 7.6067 7.6067 7.6721 7.6721 8.2826 8.2826 9.7470 9.7470 9.8225 9.8225 9.8960 9.8960 10.0949 10.0949 11.6509 11.6509 11.7121 11.7121 k = 0.1226 0.1226-0.0000 ( 4144 PWs) bands (ev): -32.0364 -32.0364 -32.0226 -32.0226 -13.3556 -13.3556 -13.3039 -13.3039 -12.9903 -12.9903 -12.9768 -12.9768 -12.9273 -12.9273 -12.9196 -12.9196 -1.2530 -1.2530 0.5297 0.5297 4.8364 4.8364 5.6625 5.6625 5.7083 5.7083 6.0001 6.0001 6.0156 6.0156 6.3870 6.3870 6.5715 6.5715 7.1190 7.1190 7.4262 7.4262 7.5043 7.5043 7.6192 7.6192 7.6924 7.6924 8.2749 8.2749 9.8168 9.8168 9.9145 9.9145 9.9580 9.9580 10.0687 10.0687 11.6200 11.6200 11.6789 11.6790 k = 0.1132 0.1132-0.0000 ( 4144 PWs) bands (ev): -32.0366 -32.0366 -32.0225 -32.0225 -13.3556 -13.3556 -13.3027 -13.3027 -12.9904 -12.9904 -12.9763 -12.9763 -12.9260 -12.9260 -12.9194 -12.9194 -1.2844 -1.2844 0.5246 0.5246 4.8044 4.8044 5.6483 5.6483 5.7398 5.7398 5.9994 5.9994 6.0813 6.0813 6.3782 6.3782 6.5868 6.5868 7.1118 7.1118 7.4484 7.4484 7.5195 7.5195 7.6289 7.6289 7.7150 7.7150 8.2657 8.2657 9.8871 9.8871 9.9907 9.9907 10.0248 10.0248 10.0483 10.0483 11.5976 11.5976 11.6487 11.6487 k = 0.1038 0.1038-0.0000 ( 4132 PWs) bands (ev): -32.0368 -32.0368 -32.0224 -32.0224 -13.3556 -13.3556 -13.3015 -13.3015 -12.9905 -12.9905 -12.9757 -12.9757 -12.9247 -12.9247 -12.9192 -12.9192 -1.3135 -1.3135 0.5197 0.5197 4.7745 4.7745 5.6354 5.6354 5.7696 5.7696 5.9906 5.9906 6.1541 6.1541 6.3699 6.3699 6.6018 6.6018 7.1029 7.1029 7.4712 7.4712 7.5346 7.5346 7.6374 7.6374 7.7386 7.7386 8.2547 8.2547 9.9563 9.9563 9.9962 9.9962 10.0490 10.0490 10.1377 10.1377 11.5830 11.5830 11.6227 11.6227 k = 0.0943 0.0943-0.0000 ( 4126 PWs) bands (ev): -32.0370 -32.0370 -32.0223 -32.0223 -13.3556 -13.3556 -13.3004 -13.3004 -12.9907 -12.9907 -12.9750 -12.9750 -12.9236 -12.9236 -12.9190 -12.9190 -1.3402 -1.3402 0.5148 0.5148 4.7468 4.7468 5.6236 5.6236 5.7974 5.7974 5.9823 5.9823 6.2242 6.2242 6.3626 6.3626 6.6164 6.6164 7.0924 7.0924 7.4936 7.4936 7.5496 7.5496 7.6461 7.6461 7.7619 7.7619 8.2419 8.2419 9.9508 9.9508 10.0308 10.0308 10.0990 10.0990 10.2425 10.2425 11.5750 11.5750 11.6020 11.6020 k = 0.0849 0.0849-0.0000 ( 4134 PWs) bands (ev): -32.0372 -32.0372 -32.0223 -32.0223 -13.3557 -13.3557 -13.2995 -13.2995 -12.9909 -12.9909 -12.9745 -12.9745 -12.9227 -12.9227 -12.9188 -12.9188 -1.3645 -1.3645 0.5103 0.5103 4.7216 4.7216 5.6131 5.6131 5.8230 5.8230 5.9748 5.9748 6.2889 6.2889 6.3583 6.3583 6.6305 6.6305 7.0803 7.0803 7.5142 7.5142 7.5648 7.5648 7.6565 7.6565 7.7844 7.7844 8.2269 8.2269 9.9065 9.9065 10.0997 10.0997 10.1459 10.1459 10.3508 10.3508 11.5712 11.5712 11.5886 11.5886 k = 0.0755 0.0755-0.0000 ( 4146 PWs) bands (ev): -32.0374 -32.0374 -32.0222 -32.0222 -13.3557 -13.3557 -13.2986 -13.2986 -12.9911 -12.9911 -12.9739 -12.9739 -12.9221 -12.9221 -12.9185 -12.9185 -1.3864 -1.3864 0.5060 0.5060 4.6988 4.6988 5.6038 5.6038 5.8463 5.8463 5.9681 5.9681 6.3295 6.3295 6.3752 6.3752 6.6439 6.6439 7.0666 7.0666 7.5319 7.5319 7.5797 7.5797 7.6705 7.6705 7.8056 7.8056 8.2095 8.2095 9.8607 9.8607 10.1623 10.1623 10.1948 10.1948 10.4613 10.4613 11.5681 11.5681 11.5855 11.5855 k = 0.0660 0.0660-0.0000 ( 4148 PWs) bands (ev): -32.0376 -32.0376 -32.0222 -32.0222 -13.3558 -13.3558 -13.2978 -13.2978 -12.9913 -12.9913 -12.9734 -12.9734 -12.9215 -12.9215 -12.9181 -12.9181 -1.4058 -1.4058 0.5021 0.5021 4.6785 4.6785 5.5956 5.5956 5.8672 5.8672 5.9623 5.9623 6.3314 6.3314 6.4273 6.4273 6.6568 6.6568 7.0516 7.0516 7.5462 7.5462 7.5928 7.5928 7.6901 7.6901 7.8251 7.8251 8.1896 8.1896 9.8155 9.8155 10.2076 10.2076 10.2556 10.2556 10.5730 10.5730 11.5666 11.5666 11.5905 11.5905 k = 0.0566 0.0566-0.0000 ( 4136 PWs) bands (ev): -32.0377 -32.0377 -32.0221 -32.0221 -13.3558 -13.3558 -13.2971 -13.2971 -12.9915 -12.9915 -12.9729 -12.9729 -12.9211 -12.9211 -12.9177 -12.9177 -1.4227 -1.4227 0.4986 0.4986 4.6609 4.6609 5.5886 5.5886 5.8854 5.8854 5.9575 5.9575 6.3269 6.3269 6.4818 6.4818 6.6692 6.6692 7.0354 7.0354 7.5576 7.5576 7.6028 7.6028 7.7158 7.7158 7.8429 7.8429 8.1671 8.1671 9.7726 9.7726 10.2406 10.2406 10.3222 10.3222 10.6851 10.6851 11.5695 11.5695 11.5991 11.5991 k = 0.0472 0.0472-0.0000 ( 4129 PWs) bands (ev): -32.0378 -32.0378 -32.0221 -32.0221 -13.3557 -13.3557 -13.2965 -13.2965 -12.9916 -12.9916 -12.9725 -12.9725 -12.9209 -12.9209 -12.9172 -12.9172 -1.4370 -1.4370 0.4956 0.4956 4.6459 4.6459 5.5827 5.5827 5.9007 5.9007 5.9538 5.9538 6.3221 6.3221 6.5313 6.5313 6.6815 6.6815 7.0182 7.0182 7.5666 7.5666 7.6098 7.6098 7.7464 7.7464 7.8586 7.8586 8.1419 8.1419 9.7335 9.7335 10.2667 10.2667 10.3878 10.3878 10.7965 10.7965 11.5740 11.5740 11.5924 11.5924 k = 0.0377 0.0377-0.0000 ( 4133 PWs) bands (ev): -32.0379 -32.0379 -32.0221 -32.0221 -13.3558 -13.3558 -13.2960 -13.2960 -12.9917 -12.9917 -12.9721 -12.9721 -12.9208 -12.9208 -12.9168 -12.9168 -1.4487 -1.4487 0.4930 0.4930 4.6336 4.6336 5.5779 5.5779 5.9128 5.9128 5.9514 5.9514 6.3176 6.3176 6.5736 6.5736 6.6943 6.6943 7.0004 7.0004 7.5735 7.5735 7.6144 7.6144 7.7800 7.7800 7.8722 7.8722 8.1143 8.1143 9.6995 9.6995 10.2872 10.2872 10.4494 10.4494 10.9059 10.9059 11.5296 11.5296 11.5852 11.5852 k = 0.0283 0.0283-0.0000 ( 4137 PWs) bands (ev): -32.0380 -32.0380 -32.0220 -32.0220 -13.3558 -13.3558 -13.2957 -13.2957 -12.9918 -12.9918 -12.9719 -12.9719 -12.9207 -12.9207 -12.9165 -12.9165 -1.4579 -1.4579 0.4910 0.4910 4.6239 4.6239 5.5741 5.5741 5.9213 5.9213 5.9506 5.9506 6.3139 6.3139 6.6066 6.6066 6.7082 6.7082 6.9831 6.9831 7.5787 7.5787 7.6174 7.6174 7.8140 7.8140 7.8843 7.8843 8.0849 8.0849 9.6718 9.6718 10.3027 10.3027 10.5041 10.5041 11.0113 11.0113 11.4701 11.4701 11.5429 11.5429 k = 0.0189 0.0189-0.0000 ( 4129 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3557 -13.3557 -13.2954 -13.2954 -12.9919 -12.9919 -12.9717 -12.9717 -12.9207 -12.9207 -12.9162 -12.9162 -1.4645 -1.4645 0.4895 0.4895 4.6171 4.6171 5.5715 5.5715 5.9263 5.9263 5.9513 5.9513 6.3112 6.3112 6.6288 6.6288 6.7228 6.7228 6.9676 6.9676 7.5823 7.5823 7.6194 7.6194 7.8443 7.8443 7.8963 7.8963 8.0553 8.0553 9.6513 9.6513 10.3136 10.3136 10.5482 10.5482 11.1100 11.1100 11.4176 11.4176 11.4948 11.4948 k = 0.0094 0.0094-0.0000 ( 4121 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3557 -13.3557 -13.2952 -13.2952 -12.9919 -12.9919 -12.9715 -12.9715 -12.9206 -12.9206 -12.9160 -12.9160 -1.4684 -1.4684 0.4887 0.4887 4.6129 4.6129 5.5700 5.5700 5.9285 5.9285 5.9525 5.9525 6.3095 6.3095 6.6410 6.6410 6.7347 6.7347 6.9564 6.9564 7.5845 7.5845 7.6204 7.6204 7.8643 7.8643 7.9101 7.9101 8.0294 8.0294 9.6387 9.6387 10.3199 10.3199 10.5774 10.5774 11.1951 11.1951 11.3744 11.3744 11.4502 11.4502 k = 0.0000 0.0000 0.0000 ( 4123 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3557 -13.3557 -13.2951 -13.2951 -12.9919 -12.9919 -12.9715 -12.9715 -12.9206 -12.9206 -12.9160 -12.9160 -1.4697 -1.4697 0.4884 0.4884 4.6115 4.6115 5.5694 5.5694 5.9291 5.9291 5.9531 5.9531 6.3090 6.3090 6.6448 6.6448 6.7395 6.7395 6.9522 6.9522 7.5852 7.5852 7.6208 7.6208 7.8706 7.8706 7.9184 7.9184 8.0175 8.0175 9.6345 9.6345 10.3220 10.3220 10.5877 10.5877 11.2393 11.2393 11.3489 11.3489 11.4303 11.4303 k = 0.0000 0.0000 0.0000 ( 4123 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3557 -13.3557 -13.2951 -13.2951 -12.9919 -12.9919 -12.9715 -12.9715 -12.9206 -12.9206 -12.9160 -12.9160 -1.4697 -1.4697 0.4884 0.4884 4.6115 4.6115 5.5694 5.5694 5.9291 5.9291 5.9531 5.9531 6.3090 6.3090 6.6448 6.6448 6.7395 6.7395 6.9522 6.9522 7.5852 7.5852 7.6208 7.6208 7.8706 7.8706 7.9184 7.9184 8.0175 8.0175 9.6345 9.6345 10.3220 10.3220 10.5877 10.5877 11.2393 11.2393 11.3489 11.3489 11.4303 11.4303 k = 0.0000 0.0000 0.0132 ( 4123 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3557 -13.3557 -13.2952 -13.2952 -12.9919 -12.9919 -12.9715 -12.9715 -12.9207 -12.9207 -12.9160 -12.9160 -1.4690 -1.4690 0.4875 0.4875 4.6119 4.6119 5.5684 5.5684 5.9292 5.9292 5.9532 5.9532 6.3090 6.3090 6.6448 6.6448 6.7394 6.7394 6.9527 6.9527 7.5852 7.5852 7.6222 7.6222 7.8704 7.8704 7.9181 7.9181 8.0175 8.0175 9.6336 9.6336 10.3044 10.3044 10.5864 10.5864 11.2581 11.2581 11.3430 11.3430 11.4222 11.4222 k = 0.0000 0.0000 0.0264 ( 4143 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3558 -13.3558 -13.2952 -13.2952 -12.9919 -12.9919 -12.9715 -12.9715 -12.9208 -12.9208 -12.9160 -12.9160 -1.4670 -1.4670 0.4848 0.4848 4.6128 4.6128 5.5652 5.5652 5.9293 5.9293 5.9532 5.9532 6.3090 6.3090 6.6446 6.6446 6.7392 6.7392 6.9538 6.9538 7.5852 7.5852 7.6263 7.6263 7.8699 7.8699 7.9174 7.9174 8.0174 8.0174 9.6308 9.6308 10.2558 10.2558 10.5826 10.5826 11.2992 11.2992 11.3384 11.3384 11.4008 11.4008 k = 0.0000 0.0000 0.0396 ( 4139 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3557 -13.3557 -13.2953 -13.2953 -12.9918 -12.9918 -12.9715 -12.9715 -12.9209 -12.9209 -12.9160 -12.9160 -1.4637 -1.4637 0.4805 0.4805 4.6145 4.6145 5.5600 5.5600 5.9298 5.9298 5.9537 5.9537 6.3091 6.3091 6.6444 6.6444 6.7389 6.7389 6.9561 6.9561 7.5851 7.5851 7.6330 7.6330 7.8691 7.8691 7.9162 7.9162 8.0174 8.0174 9.6264 9.6264 10.1856 10.1856 10.5765 10.5765 11.2886 11.2886 11.3717 11.3717 11.4031 11.4031 k = 0.0000 0.0000 0.0527 ( 4139 PWs) bands (ev): -32.0381 -32.0381 -32.0220 -32.0220 -13.3556 -13.3556 -13.2954 -13.2954 -12.9916 -12.9916 -12.9715 -12.9715 -12.9211 -12.9211 -12.9160 -12.9160 -1.4590 -1.4590 0.4744 0.4744 4.6169 4.6169 5.5527 5.5527 5.9305 5.9305 5.9544 5.9544 6.3091 6.3091 6.6441 6.6441 6.7384 6.7384 6.9590 6.9590 7.5851 7.5851 7.6423 7.6423 7.8680 7.8680 7.9146 7.9146 8.0174 8.0174 9.6202 9.6202 10.1024 10.1024 10.5682 10.5682 11.2587 11.2587 11.3387 11.3387 11.4980 11.4980 k = 0.0000 0.0000 0.0659 ( 4123 PWs) bands (ev): -32.0380 -32.0380 -32.0220 -32.0220 -13.3554 -13.3554 -13.2955 -13.2955 -12.9914 -12.9914 -12.9715 -12.9715 -12.9213 -12.9213 -12.9160 -12.9160 -1.4531 -1.4531 0.4668 0.4668 4.6202 4.6202 5.5433 5.5433 5.9314 5.9314 5.9553 5.9553 6.3092 6.3092 6.6437 6.6437 6.7379 6.7379 6.9626 6.9626 7.5850 7.5850 7.6538 7.6538 7.8669 7.8669 7.9127 7.9127 8.0175 8.0175 9.6123 9.6123 10.0127 10.0127 10.5581 10.5581 11.2252 11.2252 11.3040 11.3040 11.6016 11.6016 k = 0.0000 0.0000 0.0791 ( 4131 PWs) bands (ev): -32.0380 -32.0380 -32.0221 -32.0221 -13.3553 -13.3553 -13.2957 -13.2957 -12.9911 -12.9911 -12.9715 -12.9715 -12.9217 -12.9217 -12.9160 -12.9160 -1.4461 -1.4461 0.4576 0.4576 4.6244 4.6244 5.5317 5.5317 5.9324 5.9324 5.9563 5.9563 6.3093 6.3093 6.6432 6.6432 6.7372 6.7372 6.9670 6.9670 7.5850 7.5850 7.6673 7.6673 7.8656 7.8656 7.9102 7.9102 8.0176 8.0176 9.6028 9.6028 9.9206 9.9206 10.5464 10.5464 11.1904 11.1904 11.2688 11.2688 11.7056 11.7056 k = 0.0000 0.0000 0.0923 ( 4123 PWs) bands (ev): -32.0380 -32.0380 -32.0221 -32.0221 -13.3551 -13.3551 -13.2959 -13.2959 -12.9908 -12.9908 -12.9714 -12.9714 -12.9221 -12.9221 -12.9161 -12.9161 -1.4380 -1.4380 0.4471 0.4471 4.6298 4.6298 5.5180 5.5180 5.9335 5.9335 5.9574 5.9574 6.3094 6.3094 6.6427 6.6427 6.7365 6.7365 6.9719 6.9719 7.5849 7.5849 7.6826 7.6826 7.8645 7.8645 7.9075 7.9075 8.0177 8.0177 9.5918 9.5918 9.8286 9.8286 10.5336 10.5336 11.1554 11.1554 11.2337 11.2337 11.8028 11.8028 k = 0.0000 0.0000 0.1055 ( 4131 PWs) bands (ev): -32.0380 -32.0380 -32.0221 -32.0221 -13.3549 -13.3549 -13.2961 -13.2961 -12.9904 -12.9904 -12.9714 -12.9714 -12.9226 -12.9226 -12.9161 -12.9161 -1.4289 -1.4289 0.4353 0.4353 4.6364 4.6364 5.5021 5.5021 5.9347 5.9347 5.9586 5.9586 6.3096 6.3096 6.6421 6.6421 6.7356 6.7356 6.9774 6.9774 7.5848 7.5848 7.6989 7.6989 7.8636 7.8636 7.9045 7.9045 8.0177 8.0177 9.5794 9.5794 9.7384 9.7384 10.5200 10.5200 11.1208 11.1208 11.1993 11.1993 11.8785 11.8786 k = 0.0000 0.0000 0.1187 ( 4131 PWs) bands (ev): -32.0380 -32.0380 -32.0221 -32.0221 -13.3547 -13.3547 -13.2964 -13.2964 -12.9901 -12.9901 -12.9713 -12.9713 -12.9230 -12.9230 -12.9161 -12.9161 -1.4190 -1.4190 0.4224 0.4224 4.6443 4.6443 5.4841 5.4841 5.9361 5.9361 5.9600 5.9600 6.3098 6.3098 6.6414 6.6414 6.7347 6.7347 6.9834 6.9834 7.5847 7.5847 7.7158 7.7158 7.8634 7.8634 7.9013 7.9013 8.0178 8.0178 9.5658 9.5658 9.6512 9.6512 10.5059 10.5059 11.0871 11.0871 11.1659 11.1659 11.9291 11.9291 k = 0.0000 0.0000 0.1318 ( 4131 PWs) bands (ev): -32.0380 -32.0380 -32.0221 -32.0221 -13.3545 -13.3545 -13.2966 -13.2966 -12.9896 -12.9896 -12.9713 -12.9713 -12.9236 -12.9236 -12.9162 -12.9162 -1.4084 -1.4084 0.4087 0.4087 4.6538 4.6538 5.4641 5.4641 5.9376 5.9376 5.9615 5.9615 6.3099 6.3099 6.6407 6.6407 6.7337 6.7337 6.9899 6.9899 7.5846 7.5846 7.7325 7.7325 7.8644 7.8644 7.8979 7.8979 8.0179 8.0179 9.5511 9.5511 9.5678 9.5678 10.4918 10.4918 11.0545 11.0545 11.1337 11.1337 11.9744 11.9745 k = 0.0000 0.0000 0.1450 ( 4135 PWs) bands (ev): -32.0380 -32.0380 -32.0221 -32.0221 -13.3542 -13.3542 -13.2969 -13.2969 -12.9892 -12.9892 -12.9713 -12.9713 -12.9241 -12.9241 -12.9162 -12.9162 -1.3972 -1.3972 0.3942 0.3942 4.6647 4.6647 5.4421 5.4421 5.9391 5.9391 5.9630 5.9630 6.3101 6.3101 6.6398 6.6398 6.7326 6.7326 6.9967 6.9967 7.5844 7.5844 7.7483 7.7483 7.8670 7.8670 7.8945 7.8945 8.0179 8.0179 9.4888 9.4888 9.5357 9.5357 10.4778 10.4778 11.0234 11.0234 11.1030 11.1030 12.0184 12.0189 k = 0.0000 0.0000 0.1582 ( 4143 PWs) bands (ev): -32.0379 -32.0379 -32.0222 -32.0222 -13.3540 -13.3540 -13.2972 -13.2972 -12.9888 -12.9888 -12.9712 -12.9712 -12.9247 -12.9247 -12.9163 -12.9163 -1.3857 -1.3857 0.3793 0.3793 4.6773 4.6773 5.4182 5.4182 5.9406 5.9406 5.9645 5.9645 6.3102 6.3102 6.6390 6.6390 6.7315 6.7315 7.0036 7.0036 7.5843 7.5843 7.7619 7.7619 7.8721 7.8721 7.8910 7.8910 8.0180 8.0180 9.4145 9.4145 9.5196 9.5196 10.4643 10.4643 10.9939 10.9939 11.0739 11.0739 12.0611 12.0613 k = 0.0000 0.0000 0.1714 ( 4131 PWs) bands (ev): -32.0379 -32.0379 -32.0222 -32.0222 -13.3537 -13.3537 -13.2975 -13.2975 -12.9883 -12.9883 -12.9711 -12.9711 -12.9252 -12.9252 -12.9163 -12.9163 -1.3739 -1.3739 0.3641 0.3641 4.6916 4.6916 5.3927 5.3927 5.9422 5.9422 5.9662 5.9662 6.3104 6.3104 6.6382 6.6382 6.7305 6.7305 7.0108 7.0108 7.5842 7.5842 7.7728 7.7728 7.8802 7.8802 7.8876 7.8876 8.0181 8.0181 9.3454 9.3454 9.5033 9.5033 10.4516 10.4516 10.9663 10.9663 11.0467 11.0467 12.1026 12.1030 k = 0.0000 0.0000 0.1846 ( 4135 PWs) bands (ev): -32.0379 -32.0379 -32.0222 -32.0222 -13.3535 -13.3535 -13.2978 -13.2978 -12.9878 -12.9878 -12.9711 -12.9711 -12.9257 -12.9257 -12.9164 -12.9164 -1.3621 -1.3621 0.3489 0.3489 4.7075 4.7075 5.3656 5.3656 5.9438 5.9438 5.9677 5.9677 6.3105 6.3105 6.6373 6.6373 6.7294 6.7294 7.0178 7.0178 7.5841 7.5841 7.7803 7.7803 7.8843 7.8843 7.8913 7.8913 8.0181 8.0181 9.2816 9.2816 9.4870 9.4870 10.4396 10.4396 10.9406 10.9406 11.0213 11.0213 12.1424 12.1428 k = 0.0000 0.0000 0.1978 ( 4135 PWs) bands (ev): -32.0379 -32.0379 -32.0222 -32.0222 -13.3532 -13.3532 -13.2980 -13.2980 -12.9874 -12.9874 -12.9711 -12.9711 -12.9263 -12.9263 -12.9164 -12.9164 -1.3505 -1.3505 0.3341 0.3341 4.7250 4.7250 5.3374 5.3374 5.9453 5.9453 5.9693 5.9693 6.3106 6.3106 6.6365 6.6365 6.7283 6.7283 7.0246 7.0246 7.5839 7.5839 7.7850 7.7850 7.8811 7.8811 7.9048 7.9048 8.0181 8.0181 9.2233 9.2233 9.4711 9.4711 10.4286 10.4286 10.9170 10.9170 10.9981 10.9981 12.1801 12.1804 k = 0.0000 0.0000 0.2109 ( 4131 PWs) bands (ev): -32.0379 -32.0379 -32.0222 -32.0222 -13.3530 -13.3530 -13.2983 -13.2983 -12.9869 -12.9869 -12.9710 -12.9710 -12.9268 -12.9268 -12.9165 -12.9165 -1.3394 -1.3394 0.3198 0.3198 4.7440 4.7440 5.3082 5.3082 5.9467 5.9467 5.9707 5.9707 6.3107 6.3107 6.6356 6.6356 6.7273 6.7273 7.0311 7.0311 7.5838 7.5838 7.7876 7.7876 7.8781 7.8781 7.9197 7.9197 8.0181 8.0181 9.1707 9.1707 9.4557 9.4557 10.4187 10.4187 10.8956 10.8956 10.9770 10.9770 12.2155 12.2157 k = 0.0000 0.0000 0.2241 ( 4143 PWs) bands (ev): -32.0379 -32.0379 -32.0223 -32.0223 -13.3528 -13.3528 -13.2986 -13.2986 -12.9865 -12.9865 -12.9710 -12.9710 -12.9273 -12.9273 -12.9165 -12.9165 -1.3288 -1.3288 0.3063 0.3063 4.7643 4.7643 5.2784 5.2784 5.9480 5.9480 5.9721 5.9721 6.3109 6.3109 6.6349 6.6349 6.7263 6.7263 7.0371 7.0371 7.5837 7.5837 7.7887 7.7887 7.8753 7.8753 7.9350 7.9350 8.0179 8.0179 9.1238 9.1238 9.4413 9.4413 10.4097 10.4097 10.8765 10.8765 10.9581 10.9581 12.2161 12.2468 k = 0.0000 0.0000 0.2373 ( 4147 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3526 -13.3526 -13.2988 -13.2988 -12.9861 -12.9861 -12.9710 -12.9710 -12.9278 -12.9278 -12.9166 -12.9166 -1.3192 -1.3192 0.2940 0.2940 4.7855 4.7855 5.2486 5.2486 5.9492 5.9492 5.9733 5.9733 6.3110 6.3110 6.6341 6.6341 6.7254 6.7254 7.0427 7.0427 7.5836 7.5836 7.7888 7.7888 7.8728 7.8728 7.9497 7.9497 8.0178 8.0178 9.0830 9.0830 9.4281 9.4281 10.4021 10.4021 10.8598 10.8598 10.9416 10.9416 12.2126 12.2141 k = 0.0000 0.0000 0.2505 ( 4151 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3524 -13.3524 -13.2990 -13.2990 -12.9858 -12.9858 -12.9710 -12.9710 -12.9282 -12.9282 -12.9166 -12.9166 -1.3106 -1.3106 0.2831 0.2831 4.8073 4.8073 5.2193 5.2193 5.9504 5.9504 5.9745 5.9745 6.3110 6.3110 6.6334 6.6334 6.7245 6.7245 7.0476 7.0476 7.5834 7.5834 7.7884 7.7884 7.8705 7.8705 7.9633 7.9633 8.0176 8.0176 9.0482 9.0482 9.4165 9.4165 10.3956 10.3956 10.8455 10.8455 10.9276 10.9276 12.2097 12.2108 k = 0.0000 0.0000 0.2637 ( 4159 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3523 -13.3523 -13.2992 -13.2992 -12.9855 -12.9855 -12.9710 -12.9710 -12.9286 -12.9286 -12.9167 -12.9167 -1.3032 -1.3032 0.2738 0.2738 4.8288 4.8288 5.1915 5.1915 5.9513 5.9513 5.9754 5.9754 6.3110 6.3110 6.6329 6.6329 6.7238 6.7238 7.0518 7.0518 7.5832 7.5832 7.7879 7.7879 7.8686 7.8686 7.9754 7.9754 8.0171 8.0171 9.0195 9.0195 9.4066 9.4066 10.3902 10.3902 10.8338 10.8338 10.9160 10.9160 12.2072 12.2072 k = 0.0000 0.0000 0.2769 ( 4155 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3521 -13.3521 -13.2993 -13.2993 -12.9853 -12.9853 -12.9710 -12.9710 -12.9288 -12.9288 -12.9167 -12.9167 -1.2973 -1.2973 0.2663 0.2663 4.8489 4.8489 5.1663 5.1663 5.9520 5.9520 5.9761 5.9761 6.3111 6.3111 6.6324 6.6324 6.7233 6.7233 7.0553 7.0553 7.5831 7.5831 7.7873 7.7873 7.8672 7.8672 7.9855 7.9855 8.0165 8.0165 8.9971 8.9971 9.3987 9.3987 10.3861 10.3861 10.8246 10.8246 10.9069 10.9069 12.2053 12.2053 k = 0.0000 0.0000 0.2900 ( 4163 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3521 -13.3521 -13.2994 -13.2994 -12.9852 -12.9852 -12.9710 -12.9710 -12.9290 -12.9290 -12.9167 -12.9167 -1.2930 -1.2930 0.2608 0.2608 4.8660 4.8660 5.1454 5.1454 5.9525 5.9525 5.9767 5.9767 6.3112 6.3112 6.6321 6.6321 6.7229 6.7229 7.0578 7.0578 7.5830 7.5830 7.7869 7.7869 7.8662 7.8662 7.9933 7.9933 8.0156 8.0156 8.9810 8.9810 9.3929 9.3929 10.3832 10.3832 10.8180 10.8180 10.9004 10.9004 12.2039 12.2039 k = 0.0000 0.0000 0.3032 ( 4171 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3521 -13.3521 -13.2995 -13.2995 -12.9851 -12.9851 -12.9710 -12.9710 -12.9292 -12.9292 -12.9167 -12.9167 -1.2904 -1.2904 0.2574 0.2574 4.8779 4.8779 5.1312 5.1312 5.9529 5.9529 5.9770 5.9770 6.3112 6.3112 6.6318 6.6318 6.7226 6.7226 7.0593 7.0593 7.5830 7.5830 7.7865 7.7865 7.8655 7.8655 7.9984 7.9984 8.0147 8.0147 8.9713 8.9713 9.3894 9.3894 10.3814 10.3814 10.8140 10.8140 10.8964 10.8964 12.2030 12.2030 k = 0.0000 0.0000 0.3164 ( 4212 PWs) bands (ev): -32.0378 -32.0378 -32.0224 -32.0224 -13.3521 -13.3521 -13.2997 -13.2997 -12.9851 -12.9851 -12.9710 -12.9710 -12.9294 -12.9294 -12.9168 -12.9168 -1.2895 -1.2895 0.2563 0.2563 4.8820 4.8820 5.1262 5.1262 5.9526 5.9526 5.9767 5.9767 6.3112 6.3112 6.6317 6.6317 6.7225 6.7225 7.0596 7.0596 7.5830 7.5830 7.7864 7.7864 7.8653 7.8653 8.0004 8.0004 8.0138 8.0138 8.9680 8.9680 9.3882 9.3882 10.3808 10.3808 10.8126 10.8126 10.8950 10.8950 12.2026 12.2026 k = 0.0000 0.0000 0.3164 ( 4212 PWs) bands (ev): -32.0378 -32.0378 -32.0224 -32.0224 -13.3521 -13.3521 -13.2997 -13.2997 -12.9851 -12.9851 -12.9710 -12.9710 -12.9294 -12.9294 -12.9168 -12.9168 -1.2895 -1.2895 0.2563 0.2563 4.8820 4.8820 5.1262 5.1262 5.9526 5.9526 5.9767 5.9767 6.3112 6.3112 6.6317 6.6317 6.7225 6.7225 7.0596 7.0596 7.5830 7.5830 7.7864 7.7864 7.8653 7.8653 8.0004 8.0004 8.0138 8.0138 8.9680 8.9680 9.3882 9.3882 10.3808 10.3808 10.8126 10.8126 10.8950 10.8950 12.2026 12.2026 k = 0.0000 0.0132 0.3164 ( 4168 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3520 -13.3520 -13.2996 -13.2996 -12.9850 -12.9850 -12.9710 -12.9710 -12.9292 -12.9292 -12.9168 -12.9168 -1.2883 -1.2883 0.2569 0.2569 4.8823 4.8823 5.1269 5.1269 5.9526 5.9526 5.9767 5.9767 6.3117 6.3117 6.6287 6.6287 6.7189 6.7189 7.0616 7.0616 7.5823 7.5823 7.7825 7.7825 7.8592 7.8592 7.9992 7.9992 8.0226 8.0226 8.9706 8.9706 9.3842 9.3842 10.3866 10.3866 10.8118 10.8118 10.8940 10.8940 12.2022 12.2022 k = 0.0000 0.0263 0.3164 ( 4156 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3520 -13.3520 -13.2997 -13.2997 -12.9850 -12.9850 -12.9711 -12.9711 -12.9291 -12.9291 -12.9169 -12.9169 -1.2847 -1.2847 0.2587 0.2587 4.8827 4.8827 5.1290 5.1290 5.9516 5.9516 5.9756 5.9756 6.3136 6.3136 6.6191 6.6191 6.7091 6.7091 7.0668 7.0668 7.5801 7.5801 7.7713 7.7713 7.8436 7.8436 7.9969 7.9969 8.0434 8.0434 8.9780 8.9780 9.3724 9.3724 10.4034 10.4034 10.8084 10.8084 10.8914 10.8914 12.2005 12.2005 k = 0.0000 0.0395 0.3164 ( 4152 PWs) bands (ev): -32.0377 -32.0377 -32.0223 -32.0223 -13.3520 -13.3520 -13.2999 -13.2999 -12.9850 -12.9850 -12.9713 -12.9713 -12.9291 -12.9291 -12.9171 -12.9171 -1.2787 -1.2787 0.2616 0.2616 4.8832 4.8832 5.1323 5.1323 5.9498 5.9498 5.9738 5.9738 6.3163 6.3163 6.6016 6.6016 6.6952 6.6952 7.0745 7.0745 7.5764 7.5764 7.7542 7.7542 7.8225 7.8225 7.9935 7.9935 8.0720 8.0720 8.9896 8.9896 9.3531 9.3531 10.4310 10.4310 10.8004 10.8004 10.8899 10.8899 12.1977 12.1977 k = 0.0000 0.0526 0.3164 ( 4148 PWs) bands (ev): -32.0376 -32.0376 -32.0224 -32.0224 -13.3520 -13.3520 -13.3003 -13.3003 -12.9849 -12.9849 -12.9717 -12.9717 -12.9290 -12.9290 -12.9174 -12.9174 -1.2703 -1.2703 0.2656 0.2656 4.8837 4.8837 5.1370 5.1370 5.9471 5.9471 5.9715 5.9715 6.3201 6.3201 6.5751 6.5751 6.6801 6.6801 7.0837 7.0837 7.5711 7.5711 7.7330 7.7330 7.7984 7.7984 7.9889 7.9889 8.1051 8.1051 9.0047 9.0047 9.3271 9.3271 10.4685 10.4685 10.7856 10.7856 10.8922 10.8922 12.1939 12.1939 k = 0.0000 0.0658 0.3164 ( 4144 PWs) bands (ev): -32.0375 -32.0375 -32.0224 -32.0224 -13.3521 -13.3521 -13.3007 -13.3007 -12.9849 -12.9849 -12.9721 -12.9721 -12.9289 -12.9289 -12.9177 -12.9177 -1.2595 -1.2595 0.2708 0.2708 4.8840 4.8840 5.1428 5.1428 5.9434 5.9434 5.9689 5.9689 6.3249 6.3249 6.5395 6.5395 6.6650 6.6650 7.0937 7.0937 7.5644 7.5644 7.7092 7.7092 7.7726 7.7726 7.9829 7.9829 8.1412 8.1412 9.0225 9.0225 9.2953 9.2953 10.5150 10.5150 10.7634 10.7634 10.8996 10.8996 12.1894 12.1894 k = 0.0000 0.0789 0.3164 ( 4146 PWs) bands (ev): -32.0374 -32.0374 -32.0224 -32.0224 -13.3521 -13.3521 -13.3013 -13.3013 -12.9849 -12.9849 -12.9726 -12.9726 -12.9288 -12.9288 -12.9181 -12.9181 -1.2464 -1.2464 0.2769 0.2769 4.8840 4.8840 5.1496 5.1496 5.9386 5.9386 5.9662 5.9662 6.3302 6.3302 6.4966 6.4966 6.6499 6.6499 7.1039 7.1039 7.5559 7.5559 7.6839 7.6839 7.7459 7.7459 7.9755 7.9755 8.1793 8.1793 9.0422 9.0422 9.2586 9.2586 10.5691 10.5691 10.7349 10.7349 10.9121 10.9121 12.1841 12.1842 k = 0.0000 0.0921 0.3164 ( 4140 PWs) bands (ev): -32.0373 -32.0373 -32.0225 -32.0225 -13.3522 -13.3522 -13.3019 -13.3019 -12.9849 -12.9849 -12.9732 -12.9732 -12.9287 -12.9287 -12.9186 -12.9186 -1.2309 -1.2309 0.2840 0.2840 4.8833 4.8833 5.1572 5.1572 5.9327 5.9327 5.9636 5.9636 6.3359 6.3359 6.4485 6.4485 6.6347 6.6347 7.1138 7.1138 7.5459 7.5459 7.6579 7.6579 7.7193 7.7193 7.9664 7.9664 8.2189 8.2189 9.0633 9.0633 9.2183 9.2183 10.6284 10.6284 10.7025 10.7025 10.9291 10.9291 12.1786 12.2061 k = 0.0000 0.1053 0.3164 ( 4140 PWs) bands (ev): -32.0372 -32.0372 -32.0225 -32.0225 -13.3522 -13.3522 -13.3027 -13.3027 -12.9849 -12.9849 -12.9737 -12.9737 -12.9287 -12.9287 -12.9191 -12.9191 -1.2131 -1.2131 0.2920 0.2920 4.8815 4.8815 5.1655 5.1655 5.9257 5.9257 5.9611 5.9611 6.3389 6.3389 6.3997 6.3997 6.6188 6.6188 7.1231 7.1231 7.5341 7.5341 7.6317 7.6317 7.6931 7.6931 7.9555 7.9555 8.2597 8.2597 9.0853 9.0853 9.1756 9.1756 10.6548 10.6548 10.7041 10.7041 10.9501 10.9501 12.1693 12.1714 k = 0.0000 0.1184 0.3164 ( 4146 PWs) bands (ev): -32.0370 -32.0370 -32.0226 -32.0226 -13.3523 -13.3523 -13.3036 -13.3036 -12.9850 -12.9850 -12.9744 -12.9744 -12.9288 -12.9288 -12.9196 -12.9196 -1.1930 -1.1930 0.3007 0.3007 4.8783 4.8783 5.1740 5.1740 5.9178 5.9178 5.9587 5.9587 6.3208 6.3208 6.3705 6.3705 6.6022 6.6022 7.1317 7.1317 7.5208 7.5208 7.6055 7.6055 7.6678 7.6678 7.9425 7.9425 8.3013 8.3013 9.1078 9.1078 9.1318 9.1318 10.6169 10.6169 10.7705 10.7705 10.9751 10.9751 12.1271 12.1271 k = 0.0000 0.1316 0.3164 ( 4162 PWs) bands (ev): -32.0368 -32.0368 -32.0226 -32.0226 -13.3524 -13.3524 -13.3045 -13.3045 -12.9852 -12.9852 -12.9750 -12.9750 -12.9289 -12.9289 -12.9201 -12.9201 -1.1707 -1.1707 0.3101 0.3101 4.8730 4.8730 5.1826 5.1826 5.9091 5.9091 5.9564 5.9564 6.2719 6.2719 6.3719 6.3719 6.5848 6.5848 7.1394 7.1394 7.5058 7.5058 7.5796 7.5796 7.6436 7.6436 7.9273 7.9273 8.3435 8.3435 9.0881 9.0881 9.1308 9.1308 10.5732 10.5732 10.8428 10.8428 11.0037 11.0037 12.0796 12.0797 k = 0.0000 0.1447 0.3164 ( 4162 PWs) bands (ev): -32.0366 -32.0366 -32.0227 -32.0227 -13.3525 -13.3525 -13.3055 -13.3055 -12.9854 -12.9854 -12.9756 -12.9756 -12.9291 -12.9291 -12.9205 -12.9205 -1.1461 -1.1461 0.3199 0.3199 4.8652 4.8652 5.1907 5.1907 5.9001 5.9001 5.9543 5.9543 6.2177 6.2177 6.3804 6.3804 6.5667 6.5667 7.1463 7.1463 7.4895 7.4895 7.5543 7.5543 7.6206 7.6206 7.9097 7.9097 8.3862 8.3862 9.0458 9.0458 9.1541 9.1541 10.5271 10.5271 10.9168 10.9168 11.0359 11.0359 12.0298 12.0298 k = 0.0000 0.1579 0.3164 ( 4166 PWs) bands (ev): -32.0364 -32.0364 -32.0228 -32.0228 -13.3525 -13.3525 -13.3066 -13.3066 -12.9857 -12.9857 -12.9761 -12.9761 -12.9295 -12.9295 -12.9208 -12.9208 -1.1193 -1.1193 0.3302 0.3302 4.8544 4.8544 5.1980 5.1980 5.8911 5.8911 5.9523 5.9523 6.1645 6.1645 6.3906 6.3906 6.5481 6.5481 7.1522 7.1522 7.4719 7.4719 7.5295 7.5295 7.5985 7.5985 7.8897 7.8897 8.4291 8.4291 9.0057 9.0057 9.1777 9.1777 10.4795 10.4795 10.9907 10.9907 11.0717 11.0717 11.9780 11.9780 k = 0.0000 0.1711 0.3164 ( 4166 PWs) bands (ev): -32.0362 -32.0362 -32.0229 -32.0229 -13.3526 -13.3526 -13.3078 -13.3078 -12.9861 -12.9861 -12.9765 -12.9765 -12.9299 -12.9299 -12.9211 -12.9211 -1.0904 -1.0904 0.3406 0.3406 4.8399 4.8399 5.2036 5.2036 5.8825 5.8825 5.9504 5.9504 6.1147 6.1147 6.4015 6.4015 6.5292 6.5292 7.1573 7.1573 7.4533 7.4533 7.5053 7.5053 7.5773 7.5773 7.8672 7.8672 8.4722 8.4722 8.9689 8.9689 9.2015 9.2015 10.4310 10.4310 11.0629 11.0630 11.1113 11.1113 11.9246 11.9246 k = 0.0000 0.1842 0.3164 ( 4174 PWs) bands (ev): -32.0359 -32.0359 -32.0230 -32.0230 -13.3527 -13.3527 -13.3090 -13.3090 -12.9866 -12.9866 -12.9770 -12.9770 -12.9304 -12.9304 -12.9213 -12.9213 -1.0594 -1.0594 0.3510 0.3510 4.8213 4.8213 5.2071 5.2071 5.8749 5.8749 5.9483 5.9483 6.0697 6.0697 6.4123 6.4123 6.5108 6.5108 7.1614 7.1614 7.4338 7.4338 7.4818 7.4818 7.5565 7.5565 7.8423 7.8423 8.5153 8.5153 8.9360 8.9360 9.2256 9.2256 10.3818 10.3818 11.1307 11.1307 11.1563 11.1563 11.8697 11.8697 k = 0.0000 0.1974 0.3164 ( 4180 PWs) bands (ev): -32.0357 -32.0357 -32.0231 -32.0231 -13.3528 -13.3528 -13.3103 -13.3103 -12.9872 -12.9872 -12.9774 -12.9774 -12.9311 -12.9311 -12.9215 -12.9215 -1.0264 -1.0264 0.3613 0.3613 4.7984 4.7984 5.2077 5.2077 5.8690 5.8690 5.9461 5.9461 6.0309 6.0309 6.4216 6.4216 6.4942 6.4942 7.1646 7.1646 7.4135 7.4135 7.4589 7.4589 7.5362 7.5362 7.8154 7.8154 8.5582 8.5582 8.9074 8.9074 9.2499 9.2499 10.3324 10.3324 11.1879 11.1879 11.2114 11.2114 11.8137 11.8137 k = 0.0000 0.2105 0.3164 ( 4176 PWs) bands (ev): -32.0354 -32.0354 -32.0232 -32.0232 -13.3528 -13.3528 -13.3117 -13.3117 -12.9878 -12.9878 -12.9777 -12.9777 -12.9317 -12.9317 -12.9216 -12.9216 -0.9913 -0.9913 0.3712 0.3712 4.7710 4.7710 5.2047 5.2047 5.8652 5.8652 5.9429 5.9429 5.9999 5.9999 6.4257 6.4257 6.4834 6.4834 7.1668 7.1668 7.3928 7.3928 7.4365 7.4365 7.5162 7.5162 7.7866 7.7866 8.6008 8.6008 8.8835 8.8835 9.2744 9.2744 10.2830 10.2830 11.2383 11.2383 11.2711 11.2711 11.7567 11.7567 k = 0.0000 0.2237 0.3164 ( 4172 PWs) bands (ev): -32.0351 -32.0351 -32.0233 -32.0233 -13.3528 -13.3528 -13.3131 -13.3131 -12.9884 -12.9884 -12.9780 -12.9780 -12.9323 -12.9323 -12.9217 -12.9217 -0.9544 -0.9544 0.3804 0.3804 4.7392 4.7392 5.1973 5.1973 5.8642 5.8642 5.9379 5.9379 5.9780 5.9780 6.4193 6.4193 6.4834 6.4834 7.1681 7.1681 7.3717 7.3717 7.4146 7.4146 7.4964 7.4964 7.7564 7.7564 8.6431 8.6431 8.8644 8.8644 9.2991 9.2991 10.2338 10.2338 11.2886 11.2886 11.3261 11.3261 11.6991 11.6991 k = 0.0000 0.2368 0.3164 ( 4164 PWs) bands (ev): -32.0348 -32.0348 -32.0234 -32.0234 -13.3528 -13.3528 -13.3145 -13.3145 -12.9891 -12.9891 -12.9783 -12.9783 -12.9329 -12.9329 -12.9218 -12.9218 -0.9156 -0.9156 0.3888 0.3888 4.7037 4.7037 5.1851 5.1851 5.8664 5.8664 5.9303 5.9303 5.9660 5.9660 6.4043 6.4043 6.4927 6.4927 7.1683 7.1683 7.3505 7.3505 7.3932 7.3932 7.4768 7.4768 7.7252 7.7252 8.6849 8.6849 8.8502 8.8502 9.3238 9.3238 10.1851 10.1851 11.3392 11.3392 11.3708 11.3708 11.6410 11.6410 k = 0.0000 0.2500 0.3164 ( 4168 PWs) bands (ev): -32.0345 -32.0345 -32.0235 -32.0235 -13.3528 -13.3528 -13.3161 -13.3161 -12.9897 -12.9897 -12.9786 -12.9786 -12.9335 -12.9335 -12.9220 -12.9220 -0.8751 -0.8751 0.3961 0.3961 4.6650 4.6650 5.1677 5.1677 5.8721 5.8721 5.9229 5.9229 5.9610 5.9610 6.3855 6.3855 6.5062 6.5062 7.1674 7.1674 7.3293 7.3293 7.3720 7.3720 7.4574 7.4574 7.6934 7.6934 8.7260 8.7260 8.8406 8.8406 9.3485 9.3485 10.1370 10.1370 11.3751 11.3751 11.4069 11.4069 11.5829 11.5829 k = 0.0000 0.2632 0.3164 ( 4164 PWs) bands (ev): -32.0342 -32.0342 -32.0237 -32.0237 -13.3528 -13.3528 -13.3176 -13.3176 -12.9904 -12.9904 -12.9790 -12.9790 -12.9340 -12.9340 -12.9221 -12.9221 -0.8329 -0.8329 0.4021 0.4021 4.6240 4.6240 5.1449 5.1449 5.8813 5.8813 5.9188 5.9188 5.9596 5.9596 6.3653 6.3653 6.5218 6.5218 7.1653 7.1653 7.3082 7.3082 7.3510 7.3510 7.4385 7.4385 7.6616 7.6616 8.7661 8.7661 8.8358 8.8358 9.3729 9.3729 10.0896 10.0896 11.3533 11.3533 11.4577 11.4577 11.5252 11.5252 k = 0.0000 0.2763 0.3164 ( 4164 PWs) bands (ev): -32.0338 -32.0338 -32.0238 -32.0238 -13.3527 -13.3527 -13.3192 -13.3192 -12.9911 -12.9911 -12.9794 -12.9794 -12.9345 -12.9345 -12.9223 -12.9223 -0.7891 -0.7891 0.4064 0.4064 4.5819 4.5819 5.1170 5.1170 5.8940 5.8940 5.9189 5.9189 5.9602 5.9602 6.3446 6.3446 6.5387 6.5387 7.1619 7.1619 7.2875 7.2875 7.3302 7.3302 7.4199 7.4199 7.6299 7.6299 8.8042 8.8042 8.8364 8.8364 9.3968 9.3968 10.0430 10.0430 11.2873 11.2873 11.4667 11.4667 11.5149 11.5149 k = 0.0000 0.2895 0.3164 ( 4164 PWs) bands (ev): -32.0335 -32.0335 -32.0240 -32.0240 -13.3526 -13.3526 -13.3208 -13.3208 -12.9917 -12.9917 -12.9798 -12.9798 -12.9348 -12.9348 -12.9224 -12.9224 -0.7438 -0.7438 0.4088 0.4088 4.5395 4.5395 5.0842 5.0842 5.9097 5.9097 5.9229 5.9229 5.9625 5.9625 6.3238 6.3238 6.5565 6.5565 7.1572 7.1572 7.2674 7.2674 7.3096 7.3096 7.4021 7.4021 7.5988 7.5988 8.8300 8.8300 8.8526 8.8526 9.4200 9.4200 9.9972 9.9972 11.2033 11.2033 11.4087 11.4087 11.5733 11.5733 k = 0.0000 0.3026 0.3164 ( 4160 PWs) bands (ev): -32.0331 -32.0331 -32.0242 -32.0242 -13.3525 -13.3525 -13.3224 -13.3224 -12.9922 -12.9922 -12.9804 -12.9804 -12.9351 -12.9351 -12.9226 -12.9226 -0.6971 -0.6971 0.4090 0.4090 4.4980 4.4980 5.0470 5.0470 5.9280 5.9280 5.9301 5.9301 5.9667 5.9667 6.3031 6.3031 6.5750 6.5750 7.1509 7.1509 7.2480 7.2480 7.2890 7.2890 7.3851 7.3851 7.5685 7.5685 8.8400 8.8400 8.8875 8.8875 9.4419 9.4419 9.9524 9.9524 11.1147 11.1147 11.3509 11.3509 11.6328 11.6328 k = 0.0000 0.3158 0.3164 ( 4156 PWs) bands (ev): -32.0328 -32.0328 -32.0243 -32.0243 -13.3523 -13.3523 -13.3240 -13.3240 -12.9927 -12.9927 -12.9810 -12.9810 -12.9353 -12.9353 -12.9229 -12.9229 -0.6492 -0.6492 0.4068 0.4068 4.4583 4.4583 5.0061 5.0061 5.9386 5.9386 5.9483 5.9483 5.9738 5.9738 6.2827 6.2827 6.5941 6.5941 7.1429 7.1429 7.2297 7.2297 7.2685 7.2685 7.3691 7.3691 7.5392 7.5392 8.8506 8.8506 8.9245 8.9245 9.4623 9.4623 9.9087 9.9087 11.0267 11.0267 11.2935 11.2935 11.6927 11.6927 k = 0.0000 0.3289 0.3164 ( 4160 PWs) bands (ev): -32.0324 -32.0324 -32.0245 -32.0245 -13.3521 -13.3521 -13.3256 -13.3256 -12.9932 -12.9932 -12.9816 -12.9816 -12.9354 -12.9354 -12.9232 -12.9232 -0.6002 -0.6002 0.4020 0.4020 4.4212 4.4212 4.9620 4.9620 5.9469 5.9469 5.9694 5.9694 5.9856 5.9856 6.2627 6.2627 6.6137 6.6137 7.1332 7.1332 7.2123 7.2123 7.2481 7.2481 7.3541 7.3541 7.5110 7.5110 8.8640 8.8640 8.9611 8.9611 9.4803 9.4803 9.8659 9.8659 10.9421 10.9421 11.2366 11.2366 11.7522 11.7522 k = 0.0000 0.3421 0.3164 ( 4156 PWs) bands (ev): -32.0321 -32.0321 -32.0247 -32.0247 -13.3519 -13.3519 -13.3272 -13.3272 -12.9935 -12.9935 -12.9823 -12.9823 -12.9354 -12.9354 -12.9235 -12.9235 -0.5503 -0.5503 0.3943 0.3943 4.3875 4.3875 4.9153 4.9153 5.9540 5.9540 5.9899 5.9899 6.0030 6.0030 6.2432 6.2432 6.6338 6.6338 7.1218 7.1218 7.1960 7.1960 7.2281 7.2281 7.3404 7.3404 7.4841 7.4841 8.8804 8.8804 8.9972 8.9972 9.4955 9.4955 9.8241 9.8241 10.8628 10.8628 11.1805 11.1805 11.8061 11.8063 k = 0.0000 0.3553 0.3164 ( 4146 PWs) bands (ev): -32.0317 -32.0317 -32.0249 -32.0249 -13.3515 -13.3515 -13.3288 -13.3288 -12.9938 -12.9938 -12.9831 -12.9831 -12.9352 -12.9352 -12.9239 -12.9239 -0.4995 -0.4995 0.3836 0.3836 4.3578 4.3578 4.8668 4.8668 5.9601 5.9601 6.0099 6.0099 6.0247 6.0247 6.2244 6.2244 6.6543 6.6543 7.1088 7.1088 7.1805 7.1805 7.2087 7.2087 7.3281 7.3281 7.4587 7.4587 8.8998 8.8998 9.0325 9.0325 9.5069 9.5069 9.7835 9.7835 10.7902 10.7902 11.1253 11.1253 11.8404 11.8404 k = 0.0000 0.3684 0.3164 ( 4146 PWs) bands (ev): -32.0314 -32.0314 -32.0252 -32.0252 -13.3512 -13.3512 -13.3304 -13.3304 -12.9940 -12.9940 -12.9838 -12.9838 -12.9350 -12.9350 -12.9243 -12.9243 -0.4480 -0.4480 0.3697 0.3697 4.3326 4.3326 4.8170 4.8170 5.9659 5.9659 6.0302 6.0302 6.0478 6.0478 6.2064 6.2064 6.6752 6.6752 7.0944 7.0944 7.1653 7.1653 7.1901 7.1901 7.3171 7.3171 7.4348 7.4348 8.9219 8.9219 9.0672 9.0672 9.5136 9.5136 9.7438 9.7438 10.7257 10.7257 11.0709 11.0709 11.8732 11.8732 k = 0.0000 0.3816 0.3164 ( 4146 PWs) bands (ev): -32.0310 -32.0310 -32.0254 -32.0254 -13.3508 -13.3508 -13.3320 -13.3320 -12.9941 -12.9941 -12.9847 -12.9847 -12.9347 -12.9347 -12.9247 -12.9247 -0.3961 -0.3961 0.3526 0.3526 4.3124 4.3124 4.7665 4.7665 5.9718 5.9718 6.0508 6.0508 6.0709 6.0709 6.1894 6.1894 6.6965 6.6965 7.0788 7.0788 7.1504 7.1504 7.1727 7.1727 7.3077 7.3077 7.4124 7.4124 8.9469 8.9469 9.1012 9.1012 9.5149 9.5149 9.7051 9.7051 10.6704 10.6704 11.0177 11.0177 11.9053 11.9053 k = 0.0000 0.3947 0.3164 ( 4128 PWs) bands (ev): -32.0306 -32.0306 -32.0256 -32.0256 -13.3502 -13.3502 -13.3335 -13.3335 -12.9941 -12.9941 -12.9855 -12.9855 -12.9343 -12.9343 -12.9251 -12.9251 -0.3439 -0.3439 0.3320 0.3320 4.2975 4.2975 4.7161 4.7161 5.9781 5.9781 6.0711 6.0711 6.0928 6.0928 6.1741 6.1741 6.7180 6.7180 7.0622 7.0622 7.1356 7.1356 7.1568 7.1568 7.2997 7.2997 7.3919 7.3919 8.9745 8.9745 9.1348 9.1348 9.5100 9.5100 9.6674 9.6674 10.6253 10.6253 10.9657 10.9657 11.9369 11.9369 k = 0.0000 0.4079 0.3164 ( 4126 PWs) bands (ev): -32.0303 -32.0303 -32.0259 -32.0259 -13.3497 -13.3497 -13.3349 -13.3349 -12.9941 -12.9941 -12.9863 -12.9863 -12.9339 -12.9339 -12.9256 -12.9256 -0.2917 -0.2917 0.3082 0.3082 4.2881 4.2881 4.6661 4.6661 5.9847 5.9847 6.0894 6.0894 6.1123 6.1123 6.1618 6.1618 6.7399 6.7399 7.0445 7.0445 7.1216 7.1216 7.1422 7.1422 7.2933 7.2933 7.3731 7.3731 9.0046 9.0046 9.1678 9.1678 9.4983 9.4983 9.6306 9.6306 10.5912 10.5912 10.9151 10.9151 11.9680 11.9680 k = 0.0000 0.4211 0.3164 ( 4138 PWs) bands (ev): -32.0299 -32.0299 -32.0261 -32.0261 -13.3491 -13.3491 -13.3364 -13.3364 -12.9940 -12.9940 -12.9872 -12.9872 -12.9334 -12.9334 -12.9262 -12.9262 -0.2396 -0.2396 0.2810 0.2810 4.2843 4.2843 4.6173 4.6173 5.9918 5.9918 6.1018 6.1018 6.1281 6.1281 6.1568 6.1568 6.7619 6.7619 7.0257 7.0257 7.1087 7.1087 7.1288 7.1288 7.2884 7.2884 7.3561 7.3561 9.0371 9.0371 9.2003 9.2003 9.4799 9.4799 9.5945 9.5945 10.5680 10.5680 10.8662 10.8662 11.9983 11.9983 k = 0.0000 0.4342 0.3164 ( 4144 PWs) bands (ev): -32.0296 -32.0296 -32.0264 -32.0264 -13.3484 -13.3484 -13.3379 -13.3379 -12.9938 -12.9938 -12.9881 -12.9881 -12.9329 -12.9329 -12.9268 -12.9268 -0.1879 -0.1879 0.2505 0.2505 4.2861 4.2861 4.5700 4.5700 5.9995 5.9995 6.1022 6.1022 6.1418 6.1418 6.1628 6.1628 6.7841 6.7841 7.0060 7.0060 7.0977 7.0977 7.1166 7.1166 7.2851 7.2851 7.3409 7.3409 9.0719 9.0719 9.2325 9.2325 9.4552 9.4552 9.5593 9.5593 10.5557 10.5557 10.8191 10.8191 12.0278 12.0278 k = 0.0000 0.4474 0.3164 ( 4148 PWs) bands (ev): -32.0293 -32.0293 -32.0267 -32.0267 -13.3477 -13.3477 -13.3392 -13.3392 -12.9936 -12.9936 -12.9889 -12.9889 -12.9324 -12.9324 -12.9274 -12.9274 -0.1368 -0.1368 0.2170 0.2170 4.2935 4.2935 4.5249 4.5249 6.0078 6.0078 6.0937 6.0937 6.1559 6.1559 6.1732 6.1732 6.8065 6.8065 6.9854 6.9854 7.0888 7.0888 7.1057 7.1057 7.2833 7.2833 7.3275 7.3275 9.1088 9.1088 9.2645 9.2645 9.4249 9.4249 9.5248 9.5248 10.5535 10.5535 10.7741 10.7741 12.0561 12.0561 k = 0.0000 0.4605 0.3164 ( 4146 PWs) bands (ev): -32.0289 -32.0289 -32.0270 -32.0270 -13.3469 -13.3469 -13.3405 -13.3405 -12.9932 -12.9932 -12.9897 -12.9897 -12.9318 -12.9318 -12.9280 -12.9280 -0.0866 -0.0866 0.1806 0.1806 4.3063 4.3063 4.4824 4.4824 6.0168 6.0168 6.0823 6.0823 6.1688 6.1688 6.1825 6.1825 6.8291 6.8291 6.9640 6.9640 7.0825 7.0825 7.0961 7.0961 7.2830 7.2830 7.3160 7.3160 9.1474 9.1474 9.2963 9.2963 9.3902 9.3902 9.4910 9.4910 10.5604 10.5604 10.7317 10.7317 12.0826 12.0826 k = 0.0000 0.4737 0.3164 ( 4138 PWs) bands (ev): -32.0286 -32.0286 -32.0273 -32.0273 -13.3460 -13.3460 -13.3417 -13.3417 -12.9928 -12.9928 -12.9904 -12.9904 -12.9311 -12.9311 -12.9286 -12.9286 -0.0376 -0.0376 0.1414 0.1414 4.3243 4.3243 4.4429 4.4429 6.0264 6.0264 6.0705 6.0705 6.1795 6.1795 6.1889 6.1889 6.8519 6.8519 6.9421 6.9421 7.0788 7.0788 7.0884 7.0884 7.2844 7.2844 7.3062 7.3062 9.1876 9.1876 9.3276 9.3276 9.3527 9.3527 9.4577 9.4577 10.5751 10.5751 10.6921 10.6921 12.1067 12.1067 k = 0.0000 0.4868 0.3164 ( 4134 PWs) bands (ev): -32.0282 -32.0282 -32.0276 -32.0276 -13.3450 -13.3450 -13.3429 -13.3429 -12.9923 -12.9923 -12.9911 -12.9911 -12.9305 -12.9305 -12.9292 -12.9292 0.0100 0.0100 0.0997 0.0997 4.3473 4.3473 4.4070 4.4070 6.0366 6.0366 6.0587 6.0587 6.1871 6.1871 6.1919 6.1919 6.8746 6.8746 6.9198 6.9198 7.0776 7.0776 7.0825 7.0825 7.2874 7.2874 7.2983 7.2983 9.2287 9.2287 9.3114 9.3114 9.3607 9.3607 9.4249 9.4249 10.5967 10.5967 10.6560 10.6560 12.1274 12.1275 k = 0.0000 0.5000 0.3164 ( 4124 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3439 -13.3439 -13.3439 -13.3439 -12.9917 -12.9917 -12.9917 -12.9917 -12.9298 -12.9298 -12.9298 -12.9298 0.0558 0.0558 0.0558 0.0558 4.3750 4.3750 4.3750 4.3750 6.0474 6.0474 6.0474 6.0474 6.1913 6.1913 6.1913 6.1913 6.8973 6.8973 6.8973 6.8973 7.0789 7.0789 7.0789 7.0789 7.2921 7.2921 7.2921 7.2921 9.2703 9.2703 9.2703 9.2703 9.3926 9.3926 9.3926 9.3926 10.6240 10.6240 10.6240 10.6240 12.1438 12.1438 k = 0.0000 0.5000 0.3164 ( 4124 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3439 -13.3439 -13.3439 -13.3439 -12.9917 -12.9917 -12.9917 -12.9917 -12.9298 -12.9298 -12.9298 -12.9298 0.0558 0.0558 0.0558 0.0558 4.3750 4.3750 4.3750 4.3750 6.0474 6.0474 6.0474 6.0474 6.1913 6.1913 6.1913 6.1913 6.8973 6.8973 6.8973 6.8973 7.0789 7.0789 7.0789 7.0789 7.2921 7.2921 7.2921 7.2921 9.2703 9.2703 9.2703 9.2703 9.3926 9.3926 9.3926 9.3926 10.6240 10.6240 10.6240 10.6240 12.1438 12.1438 k = 0.0132 0.5000 0.3164 ( 4124 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3440 -13.3440 -13.3439 -13.3439 -12.9926 -12.9926 -12.9908 -12.9908 -12.9307 -12.9307 -12.9290 -12.9290 0.0565 0.0565 0.0566 0.0566 4.3744 4.3744 4.3757 4.3757 6.0464 6.0464 6.0476 6.0476 6.1888 6.1888 6.1951 6.1951 6.8942 6.8942 6.8984 6.8984 7.0784 7.0784 7.0814 7.0814 7.2914 7.2914 7.2931 7.2931 9.2623 9.2623 9.2643 9.2643 9.3914 9.3914 9.3946 9.3946 10.6243 10.6243 10.6245 10.6245 12.1426 12.1437 k = 0.0263 0.5000 0.3164 ( 4128 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3441 -13.3441 -13.3439 -13.3439 -12.9935 -12.9935 -12.9899 -12.9899 -12.9318 -12.9318 -12.9283 -12.9283 0.0585 0.0585 0.0587 0.0587 4.3738 4.3738 4.3765 4.3765 6.0447 6.0447 6.0470 6.0470 6.1877 6.1877 6.1999 6.1999 6.8895 6.8895 6.8977 6.8977 7.0797 7.0797 7.0855 7.0855 7.2911 7.2911 7.2945 7.2945 9.2420 9.2420 9.2449 9.2449 9.3904 9.3904 9.3959 9.3959 10.6253 10.6253 10.6257 10.6257 12.1399 12.1405 k = 0.0395 0.5000 0.3164 ( 4136 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3442 -13.3442 -13.3439 -13.3439 -12.9944 -12.9944 -12.9890 -12.9890 -12.9329 -12.9329 -12.9277 -12.9277 0.0619 0.0619 0.0623 0.0623 4.3732 4.3732 4.3773 4.3773 6.0426 6.0426 6.0456 6.0456 6.1878 6.1878 6.2057 6.2057 6.8832 6.8832 6.8953 6.8953 7.0827 7.0827 7.0912 7.0912 7.2911 7.2911 7.2963 7.2963 9.2119 9.2119 9.2148 9.2148 9.3877 9.3877 9.3944 9.3944 10.6265 10.6265 10.6271 10.6271 12.1372 12.1386 k = 0.0526 0.5000 0.3164 ( 4136 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3443 -13.3443 -13.3439 -13.3439 -12.9953 -12.9953 -12.9880 -12.9880 -12.9341 -12.9341 -12.9272 -12.9272 0.0666 0.0666 0.0671 0.0671 4.3726 4.3726 4.3780 4.3780 6.0402 6.0402 6.0433 6.0433 6.1893 6.1893 6.2124 6.2124 6.8759 6.8759 6.8913 6.8913 7.0873 7.0873 7.0980 7.0980 7.2914 7.2914 7.2986 7.2986 9.1743 9.1743 9.1764 9.1764 9.3818 9.3818 9.3888 9.3888 10.6273 10.6273 10.6283 10.6283 12.1342 12.1380 k = 0.0658 0.5000 0.3164 ( 4132 PWs) bands (ev): -32.0278 -32.0278 -32.0278 -32.0278 -13.3444 -13.3444 -13.3439 -13.3439 -12.9962 -12.9962 -12.9871 -12.9871 -12.9354 -12.9354 -12.9267 -12.9267 0.0727 0.0727 0.0733 0.0733 4.3718 4.3718 4.3786 4.3786 6.0377 6.0377 6.0404 6.0404 6.1921 6.1921 6.2198 6.2198 6.8678 6.8678 6.8863 6.8863 7.0930 7.0930 7.1057 7.1057 7.2921 7.2921 7.3012 7.3012 9.1307 9.1307 9.1317 9.1317 9.3718 9.3718 9.3785 9.3785 10.6269 10.6269 10.6283 10.6283 12.1322 12.1367 k = 0.0789 0.5000 0.3164 ( 4136 PWs) bands (ev): -32.0278 -32.0278 -32.0278 -32.0278 -13.3446 -13.3446 -13.3440 -13.3440 -12.9970 -12.9970 -12.9862 -12.9862 -12.9367 -12.9367 -12.9264 -12.9264 0.0801 0.0801 0.0809 0.0809 4.3709 4.3709 4.3791 4.3791 6.0351 6.0351 6.0369 6.0369 6.1960 6.1960 6.2279 6.2279 6.8592 6.8592 6.8805 6.8805 7.0994 7.0994 7.1140 7.1140 7.2930 7.2930 7.3042 7.3042 9.0820 9.0820 9.0823 9.0823 9.3574 9.3574 9.3636 9.3636 10.6246 10.6246 10.6265 10.6265 12.1326 12.1391 k = 0.0921 0.5000 0.3164 ( 4132 PWs) bands (ev): -32.0277 -32.0277 -32.0277 -32.0277 -13.3447 -13.3447 -13.3440 -13.3440 -12.9978 -12.9978 -12.9853 -12.9853 -12.9382 -12.9382 -12.9262 -12.9262 0.0888 0.0888 0.0897 0.0897 4.3697 4.3697 4.3792 4.3792 6.0327 6.0327 6.0331 6.0331 6.2011 6.2011 6.2365 6.2365 6.8502 6.8502 6.8742 6.8742 7.1064 7.1064 7.1226 7.1226 7.2941 7.2941 7.3075 7.3075 9.0288 9.0288 9.0305 9.0305 9.3385 9.3385 9.3440 9.3440 10.6198 10.6198 10.6222 10.6222 12.1356 12.1382 k = 0.1053 0.5000 0.3164 ( 4124 PWs) bands (ev): -32.0277 -32.0277 -32.0277 -32.0277 -13.3449 -13.3449 -13.3441 -13.3441 -12.9986 -12.9986 -12.9844 -12.9844 -12.9397 -12.9397 -12.9260 -12.9260 0.0987 0.0987 0.0997 0.0997 4.3681 4.3681 4.3789 4.3789 6.0292 6.0292 6.0307 6.0307 6.2071 6.2071 6.2457 6.2457 6.8413 6.8413 6.8677 6.8677 7.1135 7.1135 7.1313 7.1313 7.2954 7.2954 7.3112 7.3112 8.9730 8.9730 8.9760 8.9760 9.3154 9.3154 9.3201 9.3201 10.6121 10.6121 10.6150 10.6150 12.1421 12.1486 k = 0.1184 0.5000 0.3164 ( 4128 PWs) bands (ev): -32.0276 -32.0276 -32.0276 -32.0276 -13.3451 -13.3451 -13.3442 -13.3442 -12.9994 -12.9994 -12.9835 -12.9835 -12.9412 -12.9412 -12.9260 -12.9260 0.1098 0.1098 0.1110 0.1110 4.3659 4.3659 4.3780 4.3780 6.0253 6.0253 6.0291 6.0291 6.2139 6.2139 6.2552 6.2552 6.8323 6.8323 6.8611 6.8611 7.1205 7.1205 7.1400 7.1400 7.2967 7.2967 7.3152 7.3152 8.9155 8.9155 8.9198 8.9198 9.2882 9.2882 9.2920 9.2920 10.6012 10.6012 10.6047 10.6047 12.1529 12.1583 k = 0.1316 0.5000 0.3164 ( 4124 PWs) bands (ev): -32.0276 -32.0276 -32.0276 -32.0276 -13.3453 -13.3453 -13.3444 -13.3444 -13.0002 -13.0002 -12.9826 -12.9826 -12.9429 -12.9429 -12.9261 -12.9261 0.1221 0.1221 0.1234 0.1234 4.3630 4.3630 4.3764 4.3764 6.0218 6.0218 6.0281 6.0281 6.2215 6.2215 6.2652 6.2652 6.8236 6.8236 6.8547 6.8547 7.1273 7.1273 7.1484 7.1484 7.2982 7.2982 7.3195 7.3195 8.8574 8.8574 8.8627 8.8627 9.2572 9.2572 9.2601 9.2601 10.5872 10.5872 10.5911 10.5911 12.1653 12.1659 k = 0.1447 0.5000 0.3164 ( 4120 PWs) bands (ev): -32.0275 -32.0275 -32.0275 -32.0275 -13.3455 -13.3455 -13.3445 -13.3445 -13.0009 -13.0009 -12.9817 -12.9817 -12.9445 -12.9445 -12.9262 -12.9262 0.1356 0.1356 0.1369 0.1369 4.3592 4.3592 4.3738 4.3738 6.0188 6.0188 6.0280 6.0280 6.2297 6.2297 6.2754 6.2754 6.8153 6.8153 6.8486 6.8486 7.1337 7.1337 7.1565 7.1565 7.2999 7.2999 7.3241 7.3241 8.7991 8.7991 8.8054 8.8054 9.2226 9.2226 9.2247 9.2247 10.5701 10.5701 10.5744 10.5744 12.1823 12.1827 k = 0.1579 0.5000 0.3164 ( 4120 PWs) bands (ev): -32.0274 -32.0274 -32.0274 -32.0274 -13.3457 -13.3457 -13.3447 -13.3447 -13.0016 -13.0016 -12.9809 -12.9809 -12.9462 -12.9462 -12.9264 -12.9264 0.1500 0.1500 0.1515 0.1515 4.3545 4.3545 4.3703 4.3703 6.0167 6.0167 6.0288 6.0288 6.2383 6.2383 6.2858 6.2858 6.8075 6.8075 6.8430 6.8430 7.1395 7.1395 7.1639 7.1639 7.3016 7.3016 7.3289 7.3289 8.7415 8.7415 8.7485 8.7485 9.1847 9.1847 9.1862 9.1862 10.5502 10.5502 10.5548 10.5548 12.2031 12.2039 k = 0.1711 0.5000 0.3164 ( 4112 PWs) bands (ev): -32.0273 -32.0273 -32.0273 -32.0273 -13.3459 -13.3459 -13.3449 -13.3449 -13.0022 -13.0022 -12.9800 -12.9800 -12.9479 -12.9479 -12.9267 -12.9267 0.1654 0.1654 0.1670 0.1670 4.3487 4.3487 4.3655 4.3655 6.0155 6.0155 6.0308 6.0308 6.2474 6.2474 6.2963 6.2963 6.8004 6.8004 6.8380 6.8380 7.1447 7.1447 7.1707 7.1707 7.3035 7.3035 7.3339 7.3339 8.6850 8.6850 8.6925 8.6925 9.1438 9.1438 9.1447 9.1447 10.5279 10.5279 10.5328 10.5328 12.2270 12.2274 k = 0.1842 0.5000 0.3164 ( 4108 PWs) bands (ev): -32.0273 -32.0273 -32.0273 -32.0273 -13.3462 -13.3462 -13.3451 -13.3451 -13.0028 -13.0028 -12.9792 -12.9792 -12.9497 -12.9497 -12.9271 -12.9271 0.1818 0.1818 0.1834 0.1834 4.3416 4.3416 4.3594 4.3594 6.0156 6.0156 6.0341 6.0341 6.2567 6.2567 6.3069 6.3069 6.7940 6.7940 6.8336 6.8336 7.1491 7.1491 7.1766 7.1766 7.3056 7.3056 7.3391 7.3391 8.6300 8.6300 8.6377 8.6377 9.1003 9.1003 9.1007 9.1007 10.5035 10.5035 10.5085 10.5085 12.2544 12.2561 k = 0.1974 0.5000 0.3164 ( 4100 PWs) bands (ev): -32.0272 -32.0272 -32.0272 -32.0272 -13.3464 -13.3464 -13.3453 -13.3453 -13.0033 -13.0033 -12.9784 -12.9784 -12.9514 -12.9514 -12.9276 -12.9276 0.1989 0.1989 0.2007 0.2007 4.3333 4.3333 4.3518 4.3518 6.0171 6.0171 6.0388 6.0388 6.2663 6.2663 6.3174 6.3174 6.7883 6.7883 6.8300 6.8300 7.1528 7.1528 7.1816 7.1816 7.3080 7.3080 7.3446 7.3446 8.5769 8.5769 8.5845 8.5845 9.0543 9.0543 9.0544 9.0544 10.4776 10.4776 10.4827 10.4827 12.2845 12.2846 k = 0.2105 0.5000 0.3164 ( 4112 PWs) bands (ev): -32.0271 -32.0271 -32.0271 -32.0271 -13.3467 -13.3467 -13.3456 -13.3456 -13.0038 -13.0038 -12.9777 -12.9777 -12.9532 -12.9532 -12.9281 -12.9281 0.2168 0.2168 0.2186 0.2186 4.3235 4.3235 4.3427 4.3427 6.0202 6.0202 6.0450 6.0450 6.2760 6.2760 6.3277 6.3277 6.7834 6.7834 6.8270 6.8270 7.1555 7.1555 7.1854 7.1854 7.3106 7.3106 7.3501 7.3501 8.5257 8.5257 8.5329 8.5329 9.0061 9.0061 9.0063 9.0063 10.4505 10.4505 10.4556 10.4556 12.3174 12.3196 k = 0.2237 0.5000 0.3164 ( 4104 PWs) bands (ev): -32.0270 -32.0270 -32.0270 -32.0270 -13.3470 -13.3470 -13.3458 -13.3458 -13.0042 -13.0042 -12.9771 -12.9771 -12.9548 -12.9548 -12.9287 -12.9287 0.2354 0.2354 0.2372 0.2372 4.3122 4.3122 4.3321 4.3321 6.0250 6.0250 6.0529 6.0529 6.2857 6.2857 6.3378 6.3378 6.7796 6.7796 6.8250 6.8250 7.1577 7.1577 7.1881 7.1881 7.3137 7.3137 7.3558 7.3558 8.4769 8.4769 8.4834 8.4834 8.9565 8.9565 8.9567 8.9568 10.4226 10.4226 10.4277 10.4277 12.3527 12.3559 k = 0.2368 0.5000 0.3164 ( 4112 PWs) bands (ev): -32.0269 -32.0269 -32.0269 -32.0269 -13.3473 -13.3473 -13.3461 -13.3461 -13.0046 -13.0046 -12.9765 -12.9765 -12.9564 -12.9564 -12.9294 -12.9294 0.2544 0.2544 0.2564 0.2564 4.2995 4.2995 4.3197 4.3197 6.0316 6.0316 6.0624 6.0624 6.2954 6.2954 6.3475 6.3475 6.7766 6.7766 6.8236 6.8236 7.1590 7.1590 7.1897 7.1897 7.3172 7.3172 7.3615 7.3615 8.4301 8.4301 8.4356 8.4356 8.9057 8.9057 8.9059 8.9059 10.3943 10.3943 10.3993 10.3993 12.3905 12.3927 k = 0.2500 0.5000 0.3164 ( 4104 PWs) bands (ev): -32.0268 -32.0268 -32.0268 -32.0268 -13.3476 -13.3476 -13.3464 -13.3464 -13.0049 -13.0049 -12.9760 -12.9760 -12.9579 -12.9579 -12.9301 -12.9301 0.2739 0.2739 0.2759 0.2759 4.2855 4.2855 4.3059 4.3059 6.0401 6.0401 6.0737 6.0737 6.3050 6.3050 6.3569 6.3569 6.7747 6.7747 6.8232 6.8232 7.1599 7.1599 7.1903 7.1903 7.3212 7.3212 7.3672 7.3672 8.3856 8.3856 8.3896 8.3896 8.8543 8.8543 8.8543 8.8543 10.3660 10.3660 10.3708 10.3708 12.4302 12.4322 k = 0.2632 0.5000 0.3164 ( 4116 PWs) bands (ev): -32.0268 -32.0268 -32.0268 -32.0268 -13.3479 -13.3479 -13.3467 -13.3467 -13.0051 -13.0051 -12.9758 -12.9758 -12.9592 -12.9592 -12.9309 -12.9309 0.2937 0.2937 0.2957 0.2957 4.2700 4.2700 4.2905 4.2905 6.0505 6.0505 6.0866 6.0866 6.3142 6.3142 6.3656 6.3656 6.7738 6.7738 6.8235 6.8235 7.1602 7.1602 7.1899 7.1899 7.3254 7.3254 7.3729 7.3729 8.3429 8.3429 8.3452 8.3452 8.8024 8.8024 8.8028 8.8028 10.3380 10.3380 10.3426 10.3426 12.4718 12.4731 k = 0.2763 0.5000 0.3164 ( 4108 PWs) bands (ev): -32.0267 -32.0267 -32.0267 -32.0267 -13.3482 -13.3482 -13.3470 -13.3470 -13.0053 -13.0053 -12.9756 -12.9756 -12.9603 -12.9603 -12.9317 -12.9317 0.3137 0.3137 0.3157 0.3157 4.2534 4.2534 4.2737 4.2737 6.0628 6.0628 6.1012 6.1012 6.3234 6.3234 6.3738 6.3738 6.7741 6.7741 6.8248 6.8248 7.1604 7.1604 7.1889 7.1889 7.3301 7.3301 7.3785 7.3785 8.3019 8.3019 8.3021 8.3021 8.7508 8.7508 8.7517 8.7517 10.3105 10.3105 10.3148 10.3148 12.5150 12.5161 k = 0.2895 0.5000 0.3164 ( 4108 PWs) bands (ev): -32.0266 -32.0266 -32.0266 -32.0266 -13.3485 -13.3485 -13.3474 -13.3474 -13.0054 -13.0054 -12.9758 -12.9758 -12.9611 -12.9611 -12.9326 -12.9326 0.3337 0.3337 0.3357 0.3357 4.2357 4.2357 4.2557 4.2557 6.0768 6.0768 6.1173 6.1173 6.3320 6.3320 6.3812 6.3812 6.7754 6.7754 6.8268 6.8268 7.1604 7.1604 7.1874 7.1874 7.3350 7.3350 7.3840 7.3840 8.2599 8.2599 8.2621 8.2621 8.6999 8.6999 8.7016 8.7016 10.2837 10.2837 10.2878 10.2878 12.5598 12.5605 k = 0.3026 0.5000 0.3164 ( 4108 PWs) bands (ev): -32.0265 -32.0265 -32.0265 -32.0265 -13.3488 -13.3488 -13.3477 -13.3477 -13.0054 -13.0054 -12.9763 -12.9763 -12.9616 -12.9616 -12.9335 -12.9335 0.3536 0.3536 0.3556 0.3556 4.2172 4.2172 4.2367 4.2367 6.0925 6.0925 6.1347 6.1347 6.3403 6.3403 6.3878 6.3878 6.7777 6.7777 6.8295 6.8295 7.1606 7.1606 7.1858 7.1858 7.3400 7.3400 7.3893 7.3893 8.2183 8.2183 8.2231 8.2231 8.6506 8.6506 8.6531 8.6531 10.2579 10.2579 10.2617 10.2617 12.6057 12.6059 k = 0.3158 0.5000 0.3164 ( 4112 PWs) bands (ev): -32.0264 -32.0264 -32.0264 -32.0264 -13.3492 -13.3492 -13.3481 -13.3481 -13.0053 -13.0053 -12.9771 -12.9771 -12.9618 -12.9618 -12.9345 -12.9345 0.3733 0.3733 0.3753 0.3753 4.1980 4.1980 4.2169 4.2169 6.1096 6.1096 6.1532 6.1532 6.3481 6.3481 6.3936 6.3936 6.7811 6.7811 6.8329 6.8329 7.1612 7.1612 7.1844 7.1844 7.3452 7.3452 7.3944 7.3944 8.1767 8.1767 8.1844 8.1844 8.6033 8.6033 8.6068 8.6068 10.2332 10.2332 10.2368 10.2368 12.6524 12.6525 k = 0.3289 0.5000 0.3164 ( 4112 PWs) bands (ev): -32.0263 -32.0263 -32.0263 -32.0263 -13.3494 -13.3494 -13.3484 -13.3484 -13.0052 -13.0052 -12.9781 -12.9781 -12.9617 -12.9617 -12.9355 -12.9355 0.3926 0.3926 0.3945 0.3945 4.1785 4.1785 4.1965 4.1965 6.1280 6.1280 6.1726 6.1726 6.3555 6.3555 6.3987 6.3987 6.7855 6.7855 6.8369 6.8369 7.1624 7.1624 7.1834 7.1834 7.3504 7.3504 7.3992 7.3992 8.1348 8.1348 8.1455 8.1455 8.5589 8.5589 8.5633 8.5633 10.2098 10.2098 10.2131 10.2131 12.6997 12.6999 k = 0.3421 0.5000 0.3164 ( 4116 PWs) bands (ev): -32.0263 -32.0263 -32.0263 -32.0263 -13.3497 -13.3497 -13.3487 -13.3487 -13.0050 -13.0050 -12.9793 -12.9793 -12.9613 -12.9613 -12.9365 -12.9365 0.4113 0.4113 0.4132 0.4132 4.1588 4.1588 4.1760 4.1760 6.1474 6.1474 6.1925 6.1925 6.3622 6.3622 6.4028 6.4028 6.7908 6.7908 6.8413 6.8413 7.1645 7.1645 7.1831 7.1831 7.3556 7.3556 7.4038 7.4038 8.0923 8.0923 8.1059 8.1059 8.5178 8.5178 8.5232 8.5232 10.1878 10.1878 10.1908 10.1908 12.7473 12.7476 k = 0.3553 0.5000 0.3164 ( 4116 PWs) bands (ev): -32.0262 -32.0262 -32.0262 -32.0262 -13.3500 -13.3500 -13.3491 -13.3491 -13.0047 -13.0047 -12.9807 -12.9807 -12.9608 -12.9608 -12.9375 -12.9375 0.4293 0.4293 0.4312 0.4312 4.1394 4.1394 4.1555 4.1555 6.1675 6.1675 6.2126 6.2126 6.3684 6.3684 6.4061 6.4061 6.7969 6.7969 6.8460 6.8460 7.1676 7.1676 7.1839 7.1839 7.3608 7.3608 7.4081 7.4081 8.0488 8.0488 8.0653 8.0653 8.4807 8.4807 8.4868 8.4868 10.1673 10.1673 10.1700 10.1700 12.7948 12.7951 k = 0.3684 0.5000 0.3164 ( 4116 PWs) bands (ev): -32.0261 -32.0261 -32.0261 -32.0261 -13.3503 -13.3503 -13.3494 -13.3494 -13.0043 -13.0043 -12.9821 -12.9821 -12.9601 -12.9601 -12.9386 -12.9386 0.4465 0.4465 0.4482 0.4482 4.1204 4.1204 4.1353 4.1353 6.1879 6.1879 6.2324 6.2324 6.3740 6.3740 6.4086 6.4086 6.8038 6.8038 6.8510 6.8510 7.1720 7.1720 7.1858 7.1858 7.3660 7.3660 7.4122 7.4122 8.0046 8.0046 8.0235 8.0235 8.4477 8.4477 8.4542 8.4542 10.1484 10.1484 10.1509 10.1509 12.8412 12.8425 k = 0.3816 0.5000 0.3164 ( 4116 PWs) bands (ev): -32.0261 -32.0261 -32.0261 -32.0261 -13.3505 -13.3505 -13.3497 -13.3497 -13.0039 -13.0039 -12.9836 -12.9836 -12.9593 -12.9593 -12.9397 -12.9397 0.4626 0.4626 0.4643 0.4643 4.1022 4.1022 4.1159 4.1159 6.2083 6.2083 6.2517 6.2517 6.3791 6.3791 6.4103 6.4103 6.8113 6.8113 6.8559 6.8559 7.1778 7.1778 7.1892 7.1892 7.3712 7.3712 7.4160 7.4160 7.9597 7.9597 7.9808 7.9808 8.4190 8.4190 8.4257 8.4257 10.1312 10.1312 10.1333 10.1333 12.8874 12.8878 k = 0.3947 0.5000 0.3164 ( 4108 PWs) bands (ev): -32.0260 -32.0260 -32.0260 -32.0260 -13.3507 -13.3507 -13.3500 -13.3500 -13.0033 -13.0033 -12.9851 -12.9851 -12.9584 -12.9584 -12.9408 -12.9408 0.4776 0.4776 0.4791 0.4791 4.0851 4.0851 4.0975 4.0975 6.2285 6.2285 6.2700 6.2700 6.3836 6.3836 6.4113 6.4113 6.8192 6.8192 6.8606 6.8606 7.1850 7.1850 7.1941 7.1941 7.3764 7.3764 7.4197 7.4197 7.9148 7.9148 7.9376 7.9376 8.3945 8.3945 8.4012 8.4012 10.1157 10.1157 10.1175 10.1175 12.9307 12.9322 k = 0.4079 0.5000 0.3164 ( 4108 PWs) bands (ev): -32.0260 -32.0260 -32.0260 -32.0260 -13.3509 -13.3509 -13.3502 -13.3502 -13.0027 -13.0027 -12.9866 -12.9866 -12.9575 -12.9575 -12.9419 -12.9419 0.4912 0.4912 0.4926 0.4926 4.0694 4.0694 4.0803 4.0803 6.2480 6.2480 6.2869 6.2869 6.3874 6.3874 6.4114 6.4114 6.8273 6.8273 6.8649 6.8649 7.1936 7.1936 7.2004 7.2004 7.3819 7.3819 7.4232 7.4232 7.8703 7.8703 7.8944 7.8944 8.3739 8.3739 8.3802 8.3802 10.1019 10.1019 10.1035 10.1035 12.9726 12.9734 k = 0.4211 0.5000 0.3164 ( 4100 PWs) bands (ev): -32.0259 -32.0259 -32.0259 -32.0259 -13.3510 -13.3510 -13.3504 -13.3504 -13.0020 -13.0020 -12.9880 -12.9880 -12.9565 -12.9565 -12.9430 -12.9430 0.5034 0.5034 0.5045 0.5045 4.0553 4.0553 4.0647 4.0647 6.2665 6.2665 6.3021 6.3021 6.3906 6.3906 6.4109 6.4109 6.8355 6.8355 6.8688 6.8688 7.2032 7.2032 7.2081 7.2081 7.3877 7.3877 7.4268 7.4268 7.8273 7.8273 7.8519 7.8519 8.3570 8.3570 8.3627 8.3627 10.0899 10.0899 10.0913 10.0913 13.0100 13.0115 k = 0.4342 0.5000 0.3164 ( 4100 PWs) bands (ev): -32.0259 -32.0259 -32.0259 -32.0259 -13.3511 -13.3511 -13.3507 -13.3507 -13.0012 -13.0012 -12.9895 -12.9895 -12.9555 -12.9555 -12.9442 -12.9442 0.5139 0.5139 0.5149 0.5149 4.0430 4.0430 4.0510 4.0510 6.2837 6.2837 6.3153 6.3153 6.3932 6.3932 6.4097 6.4097 6.8434 6.8434 6.8719 6.8719 7.2134 7.2134 7.2168 7.2168 7.3940 7.3940 7.4302 7.4302 7.7868 7.7868 7.8112 7.8112 8.3434 8.3434 8.3483 8.3483 10.0798 10.0798 10.0809 10.0809 13.0440 13.0451 k = 0.4474 0.5000 0.3164 ( 4100 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3512 -13.3512 -13.3508 -13.3508 -13.0003 -13.0003 -12.9909 -12.9909 -12.9544 -12.9544 -12.9454 -12.9454 0.5227 0.5227 0.5235 0.5235 4.0328 4.0328 4.0393 4.0393 6.2993 6.2993 6.3260 6.3260 6.3953 6.3953 6.4079 6.4079 6.8509 6.8509 6.8741 6.8741 7.2237 7.2237 7.2258 7.2258 7.4009 7.4009 7.4334 7.4334 7.7503 7.7503 7.7734 7.7734 8.3328 8.3328 8.3369 8.3369 10.0715 10.0715 10.0724 10.0724 13.0732 13.0738 k = 0.4605 0.5000 0.3164 ( 4116 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3513 -13.3513 -13.3511 -13.3511 -12.9994 -12.9994 -12.9923 -12.9923 -12.9534 -12.9534 -12.9465 -12.9465 0.5297 0.5297 0.5303 0.5303 4.0249 4.0249 4.0297 4.0297 6.3129 6.3129 6.3340 6.3340 6.3968 6.3968 6.4058 6.4058 6.8576 6.8576 6.8752 6.8752 7.2331 7.2331 7.2344 7.2344 7.4085 7.4085 7.4359 7.4359 7.7195 7.7195 7.7398 7.7398 8.3248 8.3248 8.3280 8.3280 10.0650 10.0650 10.0657 10.0657 13.0956 13.0968 k = 0.4737 0.5000 0.3164 ( 4112 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3514 -13.3514 -13.3512 -13.3512 -12.9984 -12.9984 -12.9937 -12.9937 -12.9522 -12.9522 -12.9477 -12.9477 0.5348 0.5348 0.5352 0.5352 4.0193 4.0193 4.0226 4.0226 6.3242 6.3242 6.3389 6.3389 6.3980 6.3980 6.4036 6.4036 6.8635 6.8635 6.8753 6.8753 7.2408 7.2408 7.2415 7.2415 7.4168 7.4168 7.4370 7.4370 7.6965 7.6965 7.7121 7.7121 8.3196 8.3196 8.3217 8.3217 10.0604 10.0604 10.0609 10.0609 13.1132 13.1136 k = 0.4868 0.5000 0.3164 ( 4092 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3513 -13.3513 -13.3512 -13.3512 -12.9972 -12.9972 -12.9949 -12.9949 -12.9511 -12.9511 -12.9488 -12.9488 0.5379 0.5379 0.5381 0.5381 4.0163 4.0163 4.0179 4.0179 6.3329 6.3329 6.3405 6.3405 6.3991 6.3991 6.4017 6.4017 6.8684 6.8684 6.8743 6.8743 7.2459 7.2459 7.2463 7.2463 7.4249 7.4249 7.4358 7.4358 7.6837 7.6837 7.6923 7.6923 8.3167 8.3167 8.3178 8.3178 10.0578 10.0578 10.0580 10.0580 13.1233 13.1238 k = 0.5000 0.5000 0.3164 ( 4096 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3513 -13.3513 -13.3513 -13.3513 -12.9961 -12.9961 -12.9961 -12.9961 -12.9500 -12.9500 -12.9500 -12.9500 0.5390 0.5390 0.5390 0.5390 4.0158 4.0158 4.0158 4.0158 6.3384 6.3384 6.3384 6.3384 6.4002 6.4002 6.4002 6.4002 6.8720 6.8720 6.8720 6.8720 7.2478 7.2478 7.2478 7.2478 7.4315 7.4315 7.4315 7.4315 7.6823 7.6823 7.6823 7.6823 8.3161 8.3161 8.3161 8.3161 10.0569 10.0569 10.0569 10.0569 13.1270 13.1270 k = 0.5000 0.5000 0.3164 ( 4096 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3513 -13.3513 -13.3513 -13.3513 -12.9961 -12.9961 -12.9961 -12.9961 -12.9500 -12.9500 -12.9500 -12.9500 0.5390 0.5390 0.5390 0.5390 4.0158 4.0158 4.0158 4.0158 6.3384 6.3384 6.3384 6.3384 6.4002 6.4002 6.4002 6.4002 6.8720 6.8720 6.8720 6.8720 7.2478 7.2478 7.2478 7.2478 7.4315 7.4315 7.4315 7.4315 7.6823 7.6823 7.6823 7.6823 8.3161 8.3161 8.3161 8.3161 10.0569 10.0569 10.0569 10.0569 13.1270 13.1270 k = 0.4906 0.4906 0.3164 ( 4092 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3513 -13.3513 -13.3512 -13.3512 -12.9973 -12.9973 -12.9949 -12.9949 -12.9511 -12.9511 -12.9488 -12.9488 0.5368 0.5368 0.5392 0.5392 4.0163 4.0163 4.0180 4.0180 6.3321 6.3321 6.3412 6.3412 6.3990 6.3990 6.4017 6.4017 6.8682 6.8682 6.8745 6.8745 7.2433 7.2433 7.2488 7.2488 7.4245 7.4245 7.4360 7.4360 7.6833 7.6833 7.6930 7.6930 8.3161 8.3161 8.3185 8.3185 10.0574 10.0574 10.0583 10.0583 13.1194 13.1212 k = 0.4811 0.4811 0.3164 ( 4120 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3514 -13.3514 -13.3512 -13.3512 -12.9984 -12.9984 -12.9936 -12.9936 -12.9523 -12.9523 -12.9477 -12.9477 0.5303 0.5303 0.5395 0.5395 4.0194 4.0194 4.0229 4.0229 6.3194 6.3194 6.3437 6.3437 6.3978 6.3978 6.4033 6.4033 6.8623 6.8623 6.8764 6.8764 7.2311 7.2311 7.2518 7.2518 7.4146 7.4146 7.4380 7.4380 7.6935 7.6935 7.7162 7.7162 8.3162 8.3162 8.3252 8.3252 10.0590 10.0590 10.0626 10.0626 13.0953 13.0954 k = 0.4717 0.4717 0.3164 ( 4118 PWs) bands (ev): -32.0259 -32.0259 -32.0258 -32.0258 -13.3514 -13.3514 -13.3510 -13.3510 -12.9994 -12.9994 -12.9923 -12.9923 -12.9534 -12.9534 -12.9465 -12.9465 0.5194 0.5194 0.5401 0.5401 4.0251 4.0251 4.0305 4.0305 6.3002 6.3002 6.3469 6.3469 6.3964 6.3964 6.4046 6.4046 6.8542 6.8542 6.8786 6.8786 7.2140 7.2140 7.2566 7.2566 7.4021 7.4021 7.4386 7.4386 7.7103 7.7103 7.7510 7.7510 8.3165 8.3165 8.3367 8.3367 10.0617 10.0617 10.0696 10.0696 13.0581 13.0581 k = 0.4623 0.4623 0.3164 ( 4118 PWs) bands (ev): -32.0260 -32.0260 -32.0257 -32.0257 -13.3515 -13.3515 -13.3507 -13.3507 -13.0004 -13.0004 -12.9909 -12.9909 -12.9545 -12.9545 -12.9453 -12.9453 0.5042 0.5042 0.5409 0.5409 4.0333 4.0333 4.0409 4.0409 6.2748 6.2748 6.3509 6.3509 6.3947 6.3947 6.4053 6.4053 6.8438 6.8438 6.8810 6.8810 7.1951 7.1951 7.2629 7.2629 7.3874 7.3874 7.4385 7.4385 7.7316 7.7316 7.7952 7.7952 8.3169 8.3169 8.3526 8.3526 10.0654 10.0654 10.0794 10.0794 13.0098 13.0098 k = 0.4528 0.4528 0.3164 ( 4118 PWs) bands (ev): -32.0261 -32.0261 -32.0257 -32.0257 -13.3515 -13.3515 -13.3503 -13.3503 -13.0012 -13.0012 -12.9894 -12.9894 -12.9556 -12.9556 -12.9442 -12.9442 0.4850 0.4850 0.5418 0.5418 4.0441 4.0441 4.0541 4.0541 6.2437 6.2437 6.3553 6.3553 6.3926 6.3926 6.4050 6.4050 6.8312 6.8312 6.8840 6.8840 7.1766 7.1766 7.2706 7.2706 7.3711 7.3711 7.4383 7.4383 7.7560 7.7560 7.8464 7.8464 8.3174 8.3174 8.3731 8.3731 10.0704 10.0704 10.0920 10.0920 12.9534 12.9534 k = 0.4434 0.4434 0.3164 ( 4118 PWs) bands (ev): -32.0262 -32.0262 -32.0257 -32.0257 -13.3516 -13.3516 -13.3499 -13.3499 -13.0020 -13.0020 -12.9880 -12.9880 -12.9566 -12.9566 -12.9430 -12.9430 0.4618 0.4618 0.5430 0.5430 4.0574 4.0574 4.0702 4.0702 6.2073 6.2073 6.3597 6.3597 6.3901 6.3901 6.4039 6.4039 6.8170 6.8170 6.8875 6.8875 7.1599 7.1599 7.2793 7.2793 7.3541 7.3541 7.4383 7.4383 7.7824 7.7824 7.9027 7.9027 8.3181 8.3181 8.3982 8.3982 10.0765 10.0765 10.1075 10.1075 12.8916 12.8916 k = 0.4340 0.4340 0.3164 ( 4118 PWs) bands (ev): -32.0263 -32.0263 -32.0256 -32.0256 -13.3516 -13.3516 -13.3494 -13.3494 -13.0027 -13.0027 -12.9864 -12.9864 -12.9576 -12.9576 -12.9418 -12.9418 0.4348 0.4348 0.5442 0.5442 4.0734 4.0734 4.0891 4.0891 6.1660 6.1660 6.3632 6.3632 6.3876 6.3876 6.4021 6.4021 6.8014 6.8014 6.8916 6.8916 7.1459 7.1459 7.2886 7.2886 7.3370 7.3370 7.4384 7.4384 7.8102 7.8102 7.9628 7.9628 8.3190 8.3190 8.4278 8.4278 10.0839 10.0839 10.1257 10.1257 12.8271 12.8271 k = 0.4245 0.4245 0.3164 ( 4126 PWs) bands (ev): -32.0265 -32.0265 -32.0256 -32.0256 -13.3517 -13.3517 -13.3488 -13.3488 -13.0033 -13.0033 -12.9849 -12.9849 -12.9586 -12.9586 -12.9407 -12.9407 0.4042 0.4042 0.5455 0.5455 4.0919 4.0919 4.1108 4.1108 6.1204 6.1204 6.3650 6.3650 6.3855 6.3855 6.3997 6.3997 6.7849 6.7849 6.8963 6.8963 7.1349 7.1349 7.2985 7.2985 7.3205 7.3205 7.4389 7.4389 7.8391 7.8391 8.0256 8.0256 8.3201 8.3201 8.4616 8.4616 10.0927 10.0927 10.1467 10.1467 12.7618 12.7618 k = 0.4151 0.4151 0.3164 ( 4130 PWs) bands (ev): -32.0266 -32.0266 -32.0256 -32.0256 -13.3518 -13.3518 -13.3482 -13.3482 -13.0039 -13.0039 -12.9833 -12.9833 -12.9596 -12.9596 -12.9396 -12.9396 0.3703 0.3703 0.5468 0.5468 4.1130 4.1130 4.1353 4.1353 6.0712 6.0712 6.3643 6.3643 6.3840 6.3840 6.3968 6.3968 6.7677 6.7677 6.9016 6.9016 7.1271 7.1271 7.3044 7.3044 7.3090 7.3090 7.4396 7.4396 7.8687 7.8687 8.0902 8.0902 8.3217 8.3217 8.4998 8.4998 10.1029 10.1029 10.1705 10.1705 12.6976 12.6976 k = 0.4057 0.4057 0.3164 ( 4122 PWs) bands (ev): -32.0268 -32.0268 -32.0255 -32.0255 -13.3518 -13.3518 -13.3475 -13.3475 -13.0042 -13.0042 -12.9817 -12.9817 -12.9604 -12.9604 -12.9385 -12.9385 0.3332 0.3332 0.5480 0.5480 4.1367 4.1367 4.1627 4.1627 6.0191 6.0191 6.3612 6.3612 6.3825 6.3825 6.3936 6.3936 6.7504 6.7504 6.9075 6.9075 7.1224 7.1224 7.2904 7.2904 7.3187 7.3187 7.4410 7.4410 7.8988 7.8988 8.1556 8.1556 8.3243 8.3243 8.5420 8.5420 10.1146 10.1146 10.1970 10.1970 12.6363 12.6363 k = 0.3962 0.3962 0.3164 ( 4122 PWs) bands (ev): -32.0270 -32.0270 -32.0254 -32.0254 -13.3519 -13.3519 -13.3467 -13.3467 -13.0046 -13.0046 -12.9801 -12.9801 -12.9613 -12.9613 -12.9374 -12.9374 0.2932 0.2932 0.5492 0.5492 4.1630 4.1630 4.1928 4.1928 5.9646 5.9646 6.3565 6.3565 6.3797 6.3797 6.3900 6.3900 6.7331 6.7331 6.9141 6.9141 7.1206 7.1206 7.2774 7.2774 7.3284 7.3284 7.4429 7.4429 7.9292 7.9292 8.2199 8.2199 8.3293 8.3293 8.5879 8.5879 10.1279 10.1279 10.2262 10.2262 12.5790 12.5790 k = 0.3868 0.3868 0.3164 ( 4126 PWs) bands (ev): -32.0273 -32.0273 -32.0254 -32.0254 -13.3520 -13.3520 -13.3458 -13.3458 -13.0048 -13.0048 -12.9786 -12.9786 -12.9620 -12.9620 -12.9363 -12.9363 0.2507 0.2507 0.5502 0.5502 4.1919 4.1919 4.2257 4.2257 5.9085 5.9085 6.3506 6.3506 6.3750 6.3750 6.3859 6.3859 6.7162 6.7162 6.9213 6.9213 7.1212 7.1212 7.2661 7.2661 7.3376 7.3376 7.4457 7.4457 7.9598 7.9598 8.2753 8.2753 8.3440 8.3440 8.6370 8.6370 10.1429 10.1429 10.2581 10.2581 12.5271 12.5271 k = 0.3774 0.3774 0.3164 ( 4118 PWs) bands (ev): -32.0275 -32.0275 -32.0253 -32.0253 -13.3521 -13.3521 -13.3449 -13.3449 -13.0049 -13.0049 -12.9771 -12.9771 -12.9626 -12.9626 -12.9352 -12.9352 0.2057 0.2057 0.5509 0.5509 4.2232 4.2232 4.2613 4.2613 5.8513 5.8513 6.3439 6.3439 6.3681 6.3681 6.3809 6.3809 6.7002 6.7002 6.9290 6.9290 7.1243 7.1243 7.2567 7.2567 7.3461 7.3461 7.4496 7.4496 7.9907 7.9907 8.3033 8.3033 8.3869 8.3869 8.6891 8.6891 10.1598 10.1598 10.2926 10.2926 12.4815 12.4815 k = 0.3679 0.3679 0.3164 ( 4122 PWs) bands (ev): -32.0277 -32.0277 -32.0252 -32.0252 -13.3522 -13.3522 -13.3439 -13.3439 -13.0050 -13.0050 -12.9757 -12.9757 -12.9631 -12.9631 -12.9342 -12.9342 0.1587 0.1587 0.5513 0.5513 4.2570 4.2570 4.2997 4.2997 5.7936 5.7936 6.3364 6.3364 6.3588 6.3588 6.3751 6.3751 6.6851 6.6851 6.9374 6.9374 7.1292 7.1292 7.2492 7.2492 7.3535 7.3535 7.4547 7.4547 8.0216 8.0216 8.3118 8.3118 8.4495 8.4495 8.7433 8.7433 10.1787 10.1787 10.3297 10.3297 12.4432 12.4432 k = 0.3585 0.3585 0.3164 ( 4114 PWs) bands (ev): -32.0280 -32.0280 -32.0251 -32.0251 -13.3522 -13.3522 -13.3428 -13.3428 -13.0049 -13.0049 -12.9744 -12.9744 -12.9633 -12.9633 -12.9332 -12.9332 0.1099 0.1099 0.5514 0.5514 4.2931 4.2931 4.3407 4.3407 5.7360 5.7360 6.3279 6.3279 6.3468 6.3468 6.3689 6.3689 6.6710 6.6710 6.9464 6.9464 7.1360 7.1360 7.2438 7.2438 7.3599 7.3599 7.4613 7.4613 8.0526 8.0526 8.3154 8.3154 8.5171 8.5171 8.7993 8.7993 10.1996 10.1996 10.3694 10.3694 12.4132 12.4132 k = 0.3491 0.3491 0.3164 ( 4122 PWs) bands (ev): -32.0283 -32.0283 -32.0251 -32.0251 -13.3523 -13.3523 -13.3417 -13.3417 -13.0048 -13.0048 -12.9735 -12.9735 -12.9633 -12.9633 -12.9323 -12.9323 0.0595 0.0595 0.5510 0.5510 4.3315 4.3315 4.3843 4.3843 5.6788 5.6788 6.3172 6.3172 6.3328 6.3328 6.3627 6.3627 6.6581 6.6581 6.9558 6.9558 7.1443 7.1443 7.2403 7.2403 7.3651 7.3651 7.4695 7.4695 8.0836 8.0836 8.3175 8.3175 8.5857 8.5857 8.8563 8.8563 10.2228 10.2228 10.4114 10.4114 12.3922 12.3922 k = 0.3396 0.3396 0.3164 ( 4130 PWs) bands (ev): -32.0286 -32.0286 -32.0250 -32.0250 -13.3524 -13.3524 -13.3406 -13.3406 -13.0046 -13.0046 -12.9728 -12.9728 -12.9630 -12.9630 -12.9314 -12.9314 0.0078 0.0078 0.5500 0.5500 4.3719 4.3719 4.4305 4.4305 5.6224 5.6224 6.3021 6.3021 6.3193 6.3193 6.3568 6.3568 6.6462 6.6462 6.9658 6.9658 7.1537 7.1537 7.2390 7.2390 7.3693 7.3693 7.4792 7.4792 8.1147 8.1147 8.3190 8.3190 8.6544 8.6544 8.9137 8.9137 10.2485 10.2485 10.4559 10.4559 12.3809 12.3809 k = 0.3302 0.3302 0.3164 ( 4130 PWs) bands (ev): -32.0289 -32.0289 -32.0249 -32.0249 -13.3525 -13.3525 -13.3393 -13.3393 -13.0043 -13.0043 -12.9725 -12.9725 -12.9622 -12.9622 -12.9306 -12.9306 -0.0450 -0.0450 0.5485 0.5485 4.4143 4.4143 4.4793 4.4793 5.5673 5.5673 6.2816 6.2816 6.3075 6.3075 6.3514 6.3514 6.6351 6.6351 6.9763 6.9763 7.1642 7.1642 7.2398 7.2398 7.3726 7.3726 7.4904 7.4904 8.1459 8.1459 8.3202 8.3202 8.7224 8.7224 8.9711 8.9711 10.2768 10.2768 10.5027 10.5027 12.3800 12.3800 k = 0.3208 0.3208 0.3164 ( 4134 PWs) bands (ev): -32.0292 -32.0292 -32.0248 -32.0248 -13.3526 -13.3526 -13.3381 -13.3381 -13.0038 -13.0038 -12.9724 -12.9724 -12.9611 -12.9611 -12.9298 -12.9298 -0.0986 -0.0986 0.5464 0.5464 4.4584 4.4584 4.5306 4.5306 5.5137 5.5137 6.2572 6.2572 6.2960 6.2960 6.3468 6.3468 6.6248 6.6248 6.9872 6.9872 7.1755 7.1755 7.2428 7.2428 7.3752 7.3752 7.5029 7.5029 8.1772 8.1772 8.3212 8.3212 8.7891 8.7891 9.0275 9.0275 10.3080 10.3080 10.5518 10.5518 12.3899 12.3899 k = 0.3113 0.3113 0.3164 ( 4134 PWs) bands (ev): -32.0295 -32.0295 -32.0247 -32.0247 -13.3527 -13.3527 -13.3368 -13.3368 -13.0033 -13.0033 -12.9726 -12.9726 -12.9598 -12.9598 -12.9290 -12.9290 -0.1527 -0.1527 0.5436 0.5436 4.5041 4.5041 4.5843 4.5843 5.4619 5.4619 6.2301 6.2301 6.2843 6.2843 6.3431 6.3431 6.6147 6.6147 6.9986 6.9986 7.1872 7.1872 7.2479 7.2479 7.3775 7.3775 7.5167 7.5167 8.2087 8.2087 8.3220 8.3220 8.8542 8.8542 9.0827 9.0827 10.3423 10.3423 10.6029 10.6029 12.4109 12.4109 k = 0.3019 0.3019 0.3164 ( 4154 PWs) bands (ev): -32.0299 -32.0299 -32.0246 -32.0246 -13.3528 -13.3528 -13.3354 -13.3354 -13.0028 -13.0028 -12.9730 -12.9730 -12.9583 -12.9583 -12.9283 -12.9283 -0.2072 -0.2072 0.5400 0.5400 4.5510 4.5510 4.6405 4.6405 5.4121 5.4121 6.2010 6.2010 6.2719 6.2719 6.3403 6.3403 6.6049 6.6049 7.0104 7.0104 7.1990 7.1990 7.2549 7.2549 7.3797 7.3797 7.5316 7.5316 8.2403 8.2403 8.3225 8.3225 8.9170 8.9170 9.1362 9.1362 10.3800 10.3800 10.6561 10.6561 12.4433 12.4433 k = 0.2925 0.2925 0.3164 ( 4146 PWs) bands (ev): -32.0302 -32.0302 -32.0245 -32.0245 -13.3529 -13.3529 -13.3340 -13.3340 -13.0021 -13.0021 -12.9734 -12.9734 -12.9566 -12.9566 -12.9276 -12.9276 -0.2618 -0.2618 0.5356 0.5356 4.5990 4.5990 4.6989 4.6989 5.3645 5.3645 6.1703 6.1703 6.2591 6.2591 6.3386 6.3386 6.5952 6.5952 7.0226 7.0226 7.2112 7.2112 7.2637 7.2637 7.3822 7.3822 7.5474 7.5474 8.2721 8.2721 8.3231 8.3231 8.9773 8.9773 9.1877 9.1877 10.4213 10.4213 10.7113 10.7113 12.4871 12.4872 k = 0.2830 0.2830 0.3164 ( 4146 PWs) bands (ev): -32.0306 -32.0306 -32.0244 -32.0244 -13.3529 -13.3529 -13.3326 -13.3326 -13.0014 -13.0014 -12.9738 -12.9738 -12.9550 -12.9550 -12.9270 -12.9270 -0.3163 -0.3163 0.5305 0.5305 4.6477 4.6477 4.7597 4.7597 5.3193 5.3193 6.1387 6.1387 6.2458 6.2458 6.3380 6.3380 6.5854 6.5854 7.0351 7.0351 7.2233 7.2233 7.2740 7.2740 7.3852 7.3852 7.5642 7.5642 8.3041 8.3041 8.3236 8.3236 9.0344 9.0344 9.2370 9.2370 10.4667 10.4667 10.7682 10.7682 12.5420 12.5420 k = 0.2736 0.2736 0.3164 ( 4150 PWs) bands (ev): -32.0309 -32.0309 -32.0243 -32.0243 -13.3530 -13.3530 -13.3311 -13.3311 -13.0006 -13.0006 -12.9743 -12.9743 -12.9532 -12.9532 -12.9264 -12.9264 -0.3706 -0.3706 0.5245 0.5245 4.6969 4.6969 4.8226 4.8226 5.2766 5.2766 6.1064 6.1064 6.2320 6.2320 6.3385 6.3385 6.5754 6.5754 7.0478 7.0478 7.2355 7.2355 7.2852 7.2852 7.3892 7.3892 7.5817 7.5817 8.3228 8.3228 8.3376 8.3376 9.0877 9.0877 9.2843 9.2843 10.5161 10.5161 10.8268 10.8268 12.6073 12.6073 k = 0.2642 0.2642 0.3164 ( 4146 PWs) bands (ev): -32.0313 -32.0313 -32.0242 -32.0242 -13.3530 -13.3530 -13.3296 -13.3296 -12.9997 -12.9997 -12.9747 -12.9747 -12.9515 -12.9515 -12.9258 -12.9258 -0.4244 -0.4244 0.5177 0.5177 4.7462 4.7462 4.8875 4.8875 5.2365 5.2365 6.0739 6.0739 6.2180 6.2180 6.3402 6.3402 6.5654 6.5654 7.0607 7.0607 7.2477 7.2477 7.2968 7.2968 7.3947 7.3947 7.6001 7.6001 8.3230 8.3230 8.3703 8.3703 9.1369 9.1369 9.3295 9.3295 10.5700 10.5700 10.8868 10.8868 12.6567 12.6795 k = 0.2547 0.2547 0.3164 ( 4150 PWs) bands (ev): -32.0316 -32.0316 -32.0241 -32.0241 -13.3530 -13.3530 -13.3281 -13.3281 -12.9988 -12.9988 -12.9752 -12.9752 -12.9497 -12.9497 -12.9254 -12.9254 -0.4776 -0.4776 0.5100 0.5100 4.7953 4.7953 4.9543 4.9543 5.1991 5.1991 6.0415 6.0415 6.2038 6.2038 6.3430 6.3430 6.5551 6.5551 7.0736 7.0736 7.2598 7.2598 7.3084 7.3084 7.4021 7.4021 7.6191 7.6191 8.3228 8.3228 8.4037 8.4037 9.1814 9.1814 9.3731 9.3731 10.6284 10.6284 10.9483 10.9483 12.5677 12.5677 k = 0.2453 0.2453 0.3164 ( 4150 PWs) bands (ev): -32.0320 -32.0320 -32.0240 -32.0240 -13.3531 -13.3531 -13.3266 -13.3266 -12.9978 -12.9978 -12.9757 -12.9757 -12.9480 -12.9480 -12.9249 -12.9249 -0.5300 -0.5300 0.5016 0.5016 4.8437 4.8437 5.0226 5.0226 5.1649 5.1649 6.0096 6.0096 6.1895 6.1895 6.3471 6.3471 6.5446 6.5446 7.0864 7.0864 7.2717 7.2717 7.3198 7.3198 7.4117 7.4117 7.6388 7.6388 8.3223 8.3223 8.4378 8.4378 9.2209 9.2209 9.4154 9.4154 10.6914 10.6914 11.0108 11.0108 12.4906 12.4906 k = 0.2358 0.2358 0.3164 ( 4150 PWs) bands (ev): -32.0323 -32.0323 -32.0239 -32.0239 -13.3531 -13.3531 -13.3251 -13.3251 -12.9968 -12.9968 -12.9761 -12.9761 -12.9462 -12.9462 -12.9246 -12.9246 -0.5815 -0.5815 0.4924 0.4924 4.8910 4.8910 5.0886 5.0886 5.1374 5.1374 5.9786 5.9786 6.1753 6.1753 6.3523 6.3523 6.5339 6.5339 7.0990 7.0990 7.2832 7.2832 7.3309 7.3309 7.4237 7.4237 7.6589 7.6589 8.3214 8.3214 8.4726 8.4726 9.2551 9.2551 9.4570 9.4570 10.7591 10.7591 11.0744 11.0744 12.4090 12.4090 k = 0.2264 0.2264 0.3164 ( 4142 PWs) bands (ev): -32.0327 -32.0327 -32.0238 -32.0238 -13.3531 -13.3531 -13.3235 -13.3235 -12.9957 -12.9957 -12.9765 -12.9765 -12.9445 -12.9445 -12.9242 -12.9242 -0.6320 -0.6320 0.4824 0.4824 4.9367 4.9367 5.0965 5.0965 5.1723 5.1723 5.9490 5.9490 6.1611 6.1611 6.3587 6.3587 6.5232 6.5232 7.1113 7.1113 7.2940 7.2940 7.3423 7.3423 7.4380 7.4380 7.6795 7.6795 8.3202 8.3202 8.5081 8.5081 9.2837 9.2837 9.4983 9.4983 10.8311 10.8311 11.1386 11.1386 12.3230 12.3230 k = 0.2170 0.2170 0.3164 ( 4134 PWs) bands (ev): -32.0330 -32.0330 -32.0237 -32.0237 -13.3530 -13.3530 -13.3219 -13.3219 -12.9946 -12.9946 -12.9769 -12.9769 -12.9428 -12.9428 -12.9239 -12.9239 -0.6812 -0.6812 0.4718 0.4718 4.9803 4.9803 5.0716 5.0716 5.2442 5.2442 5.9212 5.9212 6.1471 6.1471 6.3663 6.3663 6.5124 6.5124 7.1230 7.1230 7.3039 7.3039 7.3544 7.3544 7.4542 7.4542 7.7004 7.7004 8.3186 8.3186 8.5444 8.5444 9.3066 9.3066 9.5399 9.5399 10.9075 10.9075 11.2033 11.2033 12.2326 12.2326 k = 0.2075 0.2075 0.3164 ( 4146 PWs) bands (ev): -32.0334 -32.0334 -32.0236 -32.0236 -13.3531 -13.3531 -13.3204 -13.3204 -12.9935 -12.9935 -12.9773 -12.9773 -12.9411 -12.9411 -12.9237 -12.9237 -0.7292 -0.7292 0.4606 0.4606 5.0212 5.0212 5.0474 5.0474 5.3192 5.3192 5.8956 5.8956 6.1333 6.1333 6.3748 6.3748 6.5016 6.5016 7.1338 7.1338 7.3130 7.3130 7.3673 7.3673 7.4718 7.4718 7.7215 7.7215 8.3165 8.3165 8.5814 8.5814 9.3238 9.3238 9.5824 9.5824 10.9877 10.9877 11.2680 11.2680 12.1382 12.1382 k = 0.1981 0.1981 0.3164 ( 4146 PWs) bands (ev): -32.0337 -32.0337 -32.0235 -32.0235 -13.3530 -13.3530 -13.3189 -13.3189 -12.9924 -12.9924 -12.9776 -12.9776 -12.9395 -12.9395 -12.9235 -12.9235 -0.7757 -0.7757 0.4488 0.4488 5.0251 5.0251 5.0590 5.0590 5.3957 5.3957 5.8729 5.8729 6.1198 6.1198 6.3844 6.3844 6.4912 6.4912 7.1435 7.1435 7.3219 7.3219 7.3814 7.3814 7.4906 7.4906 7.7426 7.7426 8.3139 8.3139 8.6194 8.6194 9.3353 9.3353 9.6264 9.6264 11.0715 11.0715 11.3323 11.3323 12.0401 12.0401 k = 0.1887 0.1887 0.3164 ( 4140 PWs) bands (ev): -32.0341 -32.0341 -32.0234 -32.0234 -13.3530 -13.3530 -13.3174 -13.3174 -12.9913 -12.9913 -12.9778 -12.9778 -12.9380 -12.9380 -12.9233 -12.9233 -0.8207 -0.8207 0.4366 0.4366 5.0051 5.0051 5.0929 5.0929 5.4735 5.4735 5.8535 5.8535 6.1066 6.1066 6.3945 6.3945 6.4814 6.4814 7.1519 7.1519 7.3312 7.3312 7.3963 7.3963 7.5104 7.5104 7.7637 7.7637 8.3108 8.3108 8.6583 8.6583 9.3412 9.3412 9.6725 9.6725 11.1582 11.1582 11.3955 11.3955 11.9389 11.9389 k = 0.1792 0.1792 0.3164 ( 4140 PWs) bands (ev): -32.0344 -32.0344 -32.0233 -32.0233 -13.3529 -13.3529 -13.3159 -13.3159 -12.9902 -12.9902 -12.9781 -12.9781 -12.9365 -12.9365 -12.9232 -12.9232 -0.8640 -0.8640 0.4240 0.4240 4.9872 4.9872 5.1224 5.1224 5.5521 5.5521 5.8379 5.8379 6.0938 6.0938 6.4045 6.4045 6.4729 6.4729 7.1586 7.1586 7.3414 7.3414 7.4118 7.4118 7.5306 7.5306 7.7845 7.7845 8.3070 8.3070 8.6981 8.6981 9.3418 9.3418 9.7209 9.7209 11.2473 11.2473 11.4568 11.4568 11.8351 11.8351 k = 0.1698 0.1698 0.3164 ( 4154 PWs) bands (ev): -32.0347 -32.0347 -32.0232 -32.0232 -13.3529 -13.3529 -13.3144 -13.3144 -12.9892 -12.9892 -12.9782 -12.9782 -12.9351 -12.9351 -12.9231 -12.9231 -0.9056 -0.9056 0.4112 0.4112 4.9713 4.9713 5.1470 5.1470 5.6313 5.6313 5.8266 5.8266 6.0813 6.0813 6.4127 6.4127 6.4674 6.4674 7.1636 7.1636 7.3528 7.3528 7.4276 7.4276 7.5513 7.5513 7.8049 7.8049 8.3024 8.3024 8.7388 8.7388 9.3372 9.3372 9.7723 9.7723 11.3381 11.3381 11.5144 11.5144 11.7293 11.7293 k = 0.1604 0.1604 0.3164 ( 4154 PWs) bands (ev): -32.0350 -32.0350 -32.0231 -32.0231 -13.3529 -13.3529 -13.3130 -13.3130 -12.9882 -12.9882 -12.9783 -12.9783 -12.9338 -12.9338 -12.9229 -12.9229 -0.9454 -0.9454 0.3982 0.3982 4.9572 4.9572 5.1664 5.1664 5.7108 5.7108 5.8198 5.8198 6.0695 6.0695 6.4164 6.4164 6.4676 6.4676 7.1667 7.1667 7.3657 7.3657 7.4437 7.4437 7.5721 7.5721 7.8248 7.8248 8.2971 8.2971 8.7805 8.7805 9.3278 9.3278 9.8268 9.8268 11.4296 11.4296 11.5653 11.5653 11.6223 11.6223 k = 0.1509 0.1509 0.3164 ( 4152 PWs) bands (ev): -32.0353 -32.0353 -32.0230 -32.0230 -13.3528 -13.3528 -13.3116 -13.3116 -12.9874 -12.9874 -12.9783 -12.9783 -12.9326 -12.9326 -12.9228 -12.9228 -0.9833 -0.9833 0.3852 0.3852 4.9449 4.9449 5.1806 5.1806 5.7896 5.7896 5.8183 5.8183 6.0581 6.0581 6.4141 6.4141 6.4750 6.4750 7.1680 7.1680 7.3803 7.3803 7.4599 7.4599 7.5931 7.5931 7.8440 7.8440 8.2908 8.2908 8.8231 8.8231 9.3140 9.3140 9.8848 9.8848 11.5096 11.5096 11.5260 11.5260 11.6035 11.6035 k = 0.1415 0.1415 0.3164 ( 4156 PWs) bands (ev): -32.0356 -32.0356 -32.0230 -32.0230 -13.3527 -13.3527 -13.3103 -13.3103 -12.9866 -12.9866 -12.9781 -12.9781 -12.9315 -12.9315 -12.9226 -12.9226 -1.0192 -1.0192 0.3723 0.3723 4.9342 4.9342 5.1897 5.1897 5.8186 5.8186 5.8706 5.8706 6.0474 6.0474 6.4077 6.4077 6.4875 6.4875 7.1675 7.1675 7.3966 7.3966 7.4761 7.4761 7.6141 7.6141 7.8624 7.8624 8.2834 8.2834 8.8665 8.8665 9.2963 9.2963 9.9463 9.9463 11.4064 11.4064 11.6061 11.6061 11.6239 11.6239 k = 0.1321 0.1321 0.3164 ( 4148 PWs) bands (ev): -32.0358 -32.0358 -32.0229 -32.0229 -13.3527 -13.3527 -13.3090 -13.3090 -12.9860 -12.9860 -12.9778 -12.9778 -12.9306 -12.9306 -12.9223 -12.9223 -1.0532 -1.0532 0.3596 0.3596 4.9249 4.9249 5.1942 5.1942 5.8249 5.8249 5.9487 5.9487 6.0375 6.0375 6.3996 6.3996 6.5028 6.5028 7.1654 7.1654 7.4144 7.4144 7.4924 7.4924 7.6350 7.6350 7.8798 7.8798 8.2749 8.2749 8.9106 8.9106 9.2750 9.2750 10.0113 10.0113 11.3000 11.3000 11.5957 11.5957 11.7028 11.7028 k = 0.1226 0.1226 0.3164 ( 4152 PWs) bands (ev): -32.0361 -32.0361 -32.0228 -32.0228 -13.3526 -13.3526 -13.3078 -13.3078 -12.9855 -12.9855 -12.9774 -12.9774 -12.9299 -12.9299 -12.9220 -12.9220 -1.0850 -1.0850 0.3472 0.3472 4.9170 4.9170 5.1948 5.1948 5.8339 5.8339 6.0216 6.0216 6.0324 6.0324 6.3908 6.3908 6.5195 6.5195 7.1619 7.1619 7.4334 7.4334 7.5086 7.5086 7.6556 7.6556 7.8961 7.8961 8.2650 8.2650 8.9554 8.9554 9.2508 9.2508 10.0797 10.0797 11.1951 11.1951 11.5459 11.5459 11.7875 11.7875 k = 0.1132 0.1132 0.3164 ( 4156 PWs) bands (ev): -32.0364 -32.0364 -32.0227 -32.0227 -13.3525 -13.3525 -13.3067 -13.3067 -12.9852 -12.9852 -12.9768 -12.9768 -12.9293 -12.9293 -12.9216 -12.9216 -1.1147 -1.1147 0.3352 0.3352 4.9101 4.9101 5.1922 5.1922 5.8453 5.8453 6.0183 6.0183 6.1023 6.1023 6.3820 6.3820 6.5371 6.5371 7.1570 7.1570 7.4535 7.4535 7.5252 7.5252 7.6759 7.6759 7.9114 7.9114 8.2537 8.2537 9.0005 9.0005 9.2242 9.2242 10.1511 10.1511 11.0929 11.0929 11.4791 11.4791 11.8675 11.8675 k = 0.1038 0.1038 0.3164 ( 4152 PWs) bands (ev): -32.0366 -32.0366 -32.0227 -32.0227 -13.3524 -13.3524 -13.3056 -13.3056 -12.9850 -12.9850 -12.9762 -12.9762 -12.9289 -12.9289 -12.9211 -12.9211 -1.1421 -1.1421 0.3238 0.3238 4.9044 4.9044 5.1873 5.1873 5.8584 5.8584 6.0102 6.0102 6.1753 6.1753 6.3736 6.3736 6.5551 6.5551 7.1509 7.1509 7.4740 7.4740 7.5425 7.5425 7.6958 7.6958 7.9255 7.9255 8.2407 8.2407 9.0458 9.0458 9.1959 9.1959 10.2251 10.2251 10.9941 10.9941 11.4053 11.4053 11.9408 11.9408 k = 0.0943 0.0943 0.3164 ( 4152 PWs) bands (ev): -32.0368 -32.0368 -32.0226 -32.0226 -13.3524 -13.3524 -13.3046 -13.3046 -12.9849 -12.9849 -12.9755 -12.9755 -12.9287 -12.9287 -12.9206 -12.9206 -1.1674 -1.1674 0.3129 0.3129 4.8996 4.8996 5.1807 5.1807 5.8723 5.8723 6.0028 6.0028 6.2449 6.2449 6.3664 6.3664 6.5733 6.5733 7.1436 7.1436 7.4941 7.4941 7.5612 7.5612 7.7151 7.7151 7.9384 7.9384 8.2258 8.2258 9.0909 9.0909 9.1666 9.1666 10.3010 10.3010 10.8997 10.8997 11.3295 11.3295 12.0057 12.0057 k = 0.0849 0.0849 0.3164 ( 4148 PWs) bands (ev): -32.0370 -32.0370 -32.0226 -32.0226 -13.3523 -13.3523 -13.3036 -13.3036 -12.9848 -12.9848 -12.9748 -12.9748 -12.9286 -12.9286 -12.9200 -12.9200 -1.1903 -1.1903 0.3028 0.3028 4.8956 4.8956 5.1732 5.1732 5.8865 5.8865 5.9960 5.9960 6.3068 6.3068 6.3638 6.3638 6.5914 6.5914 7.1353 7.1353 7.5128 7.5128 7.5822 7.5822 7.7338 7.7338 7.9500 7.9500 8.2090 8.2090 9.1353 9.1353 9.1369 9.1369 10.3779 10.3779 10.8105 10.8105 11.2548 11.2548 12.0607 12.0607 k = 0.0755 0.0755 0.3164 ( 4152 PWs) bands (ev): -32.0371 -32.0371 -32.0225 -32.0225 -13.3522 -13.3522 -13.3028 -13.3028 -12.9848 -12.9848 -12.9741 -12.9741 -12.9286 -12.9286 -12.9194 -12.9194 -1.2110 -1.2110 0.2935 0.2935 4.8923 4.8923 5.1653 5.1653 5.9003 5.9003 5.9901 5.9901 6.3359 6.3359 6.3904 6.3904 6.6091 6.6091 7.1261 7.1261 7.5293 7.5293 7.6061 7.6061 7.7517 7.7517 7.9604 7.9604 8.1902 8.1902 9.1074 9.1074 9.1788 9.1788 10.4545 10.4545 10.7277 10.7277 11.1828 11.1828 12.1049 12.1049 k = 0.0660 0.0660 0.3164 ( 4144 PWs) bands (ev): -32.0373 -32.0373 -32.0225 -32.0225 -13.3522 -13.3522 -13.3020 -13.3020 -12.9848 -12.9848 -12.9733 -12.9733 -12.9287 -12.9287 -12.9188 -12.9188 -1.2293 -1.2293 0.2851 0.2851 4.8896 4.8896 5.1573 5.1573 5.9133 5.9133 5.9849 5.9849 6.3347 6.3347 6.4430 6.4430 6.6265 6.6265 7.1163 7.1163 7.5431 7.5431 7.6329 7.6329 7.7688 7.7688 7.9695 7.9695 8.1692 8.1692 9.0791 9.0791 9.2204 9.2204 10.5287 10.5287 10.6526 10.6526 11.1152 11.1152 12.1385 12.1385 k = 0.0566 0.0566 0.3164 ( 4148 PWs) bands (ev): -32.0374 -32.0374 -32.0224 -32.0224 -13.3521 -13.3521 -13.3014 -13.3014 -12.9849 -12.9849 -12.9727 -12.9727 -12.9287 -12.9287 -12.9183 -12.9183 -1.2452 -1.2452 0.2777 0.2777 4.8874 4.8874 5.1498 5.1498 5.9250 5.9250 5.9807 5.9807 6.3297 6.3297 6.4939 6.4939 6.6435 6.6435 7.1058 7.1058 7.5544 7.5544 7.6621 7.6621 7.7849 7.7849 7.9774 7.9774 8.1461 8.1461 9.0525 9.0525 9.2596 9.2596 10.5743 10.5743 10.6106 10.6106 11.0533 11.0533 12.1626 12.1626 k = 0.0472 0.0472 0.3164 ( 4154 PWs) bands (ev): -32.0375 -32.0375 -32.0224 -32.0224 -13.3521 -13.3521 -13.3008 -13.3008 -12.9849 -12.9849 -12.9722 -12.9722 -12.9289 -12.9289 -12.9178 -12.9178 -1.2587 -1.2587 0.2713 0.2713 4.8857 4.8857 5.1430 5.1430 5.9350 5.9350 5.9776 5.9776 6.3246 6.3246 6.5383 6.5383 6.6604 6.6604 7.0950 7.0950 7.5635 7.5635 7.6923 7.6923 7.8001 7.8001 7.9841 7.9841 8.1211 8.1211 9.0285 9.0285 9.2953 9.2953 10.5214 10.5214 10.6702 10.6702 10.9985 10.9985 12.1790 12.1790 k = 0.0377 0.0377 0.3164 ( 4152 PWs) bands (ev): -32.0376 -32.0376 -32.0224 -32.0224 -13.3520 -13.3520 -13.3003 -13.3003 -12.9849 -12.9849 -12.9717 -12.9717 -12.9290 -12.9290 -12.9174 -12.9174 -1.2697 -1.2697 0.2659 0.2659 4.8844 4.8844 5.1372 5.1372 5.9428 5.9428 5.9758 5.9758 6.3201 6.3201 6.5744 6.5744 6.6773 6.6773 7.0845 7.0845 7.5707 7.5707 7.7221 7.7221 7.8149 7.8149 7.9896 7.9896 8.0948 8.0948 9.0078 9.0078 9.3267 9.3267 10.4722 10.4722 10.7272 10.7272 10.9527 10.9527 12.1897 12.1897 k = 0.0283 0.0283 0.3164 ( 4150 PWs) bands (ev): -32.0377 -32.0377 -32.0224 -32.0224 -13.3520 -13.3520 -13.2999 -13.2999 -12.9850 -12.9850 -12.9714 -12.9714 -12.9291 -12.9291 -12.9171 -12.9171 -1.2784 -1.2784 0.2618 0.2618 4.8834 4.8834 5.1325 5.1325 5.9482 5.9482 5.9753 5.9753 6.3163 6.3163 6.6012 6.6012 6.6939 6.6939 7.0749 7.0749 7.5762 7.5762 7.7489 7.7489 7.8298 7.8298 7.9939 7.9939 8.0680 8.0680 8.9909 8.9909 9.3526 9.3526 10.4328 10.4328 10.7724 10.7724 10.9184 10.9184 12.1963 12.1963 k = 0.0189 0.0189 0.3164 ( 4158 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3520 -13.3520 -13.2997 -13.2997 -12.9850 -12.9850 -12.9711 -12.9711 -12.9291 -12.9291 -12.9169 -12.9169 -1.2845 -1.2845 0.2587 0.2587 4.8828 4.8828 5.1290 5.1290 5.9512 5.9512 5.9758 5.9758 6.3135 6.3135 6.6188 6.6188 6.7086 6.7086 7.0670 7.0670 7.5800 7.5800 7.7697 7.7697 7.8453 7.8453 7.9970 7.9970 8.0426 8.0426 8.9784 8.9784 9.3721 9.3721 10.4041 10.4041 10.8008 10.8008 10.8990 10.8990 12.2002 12.2003 k = 0.0094 0.0094 0.3164 ( 4172 PWs) bands (ev): -32.0378 -32.0378 -32.0223 -32.0223 -13.3520 -13.3520 -13.2996 -13.2996 -12.9850 -12.9850 -12.9710 -12.9710 -12.9292 -12.9292 -12.9168 -12.9168 -1.2882 -1.2882 0.2569 0.2569 4.8824 4.8824 5.1269 5.1269 5.9525 5.9525 5.9767 5.9767 6.3118 6.3118 6.6286 6.6286 6.7188 6.7188 7.0617 7.0617 7.5822 7.5822 7.7823 7.7823 7.8592 7.8592 7.9992 7.9992 8.0225 8.0225 8.9707 8.9707 9.3841 9.3841 10.3867 10.3867 10.8112 10.8112 10.8945 10.8945 12.2021 12.2021 k = 0.0000 0.0000 0.3164 ( 4212 PWs) bands (ev): -32.0378 -32.0378 -32.0224 -32.0224 -13.3521 -13.3521 -13.2997 -13.2997 -12.9851 -12.9851 -12.9710 -12.9710 -12.9294 -12.9294 -12.9168 -12.9168 -1.2895 -1.2895 0.2563 0.2563 4.8820 4.8820 5.1262 5.1262 5.9526 5.9526 5.9767 5.9767 6.3112 6.3112 6.6317 6.6317 6.7225 6.7225 7.0596 7.0596 7.5830 7.5830 7.7864 7.7864 7.8653 7.8653 8.0004 8.0004 8.0138 8.0138 8.9680 8.9680 9.3882 9.3882 10.3808 10.3808 10.8126 10.8126 10.8950 10.8950 12.2026 12.2026 k = 0.0000 0.5000-0.0000 ( 4150 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3428 -13.3428 -13.3428 -13.3428 -12.9893 -12.9893 -12.9893 -12.9893 -12.9331 -12.9331 -12.9331 -12.9331 -0.0197 -0.0197 -0.0197 -0.0197 4.8291 4.8291 4.8291 4.8291 6.0425 6.0425 6.0425 6.0425 6.0838 6.0838 6.0838 6.0838 6.8745 6.8745 6.8745 6.8745 7.0302 7.0302 7.0302 7.0302 7.4268 7.4268 7.4268 7.4268 8.2185 8.2185 8.2185 8.2185 9.5877 9.5877 9.5877 9.5877 11.7854 11.7854 11.7854 11.7854 11.8088 11.8088 k = 0.0000 0.5000 0.0132 ( 4150 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3428 -13.3428 -13.3428 -13.3428 -12.9894 -12.9894 -12.9894 -12.9894 -12.9331 -12.9331 -12.9331 -12.9331 -0.0193 -0.0193 -0.0193 -0.0193 4.8267 4.8267 4.8267 4.8267 6.0426 6.0426 6.0426 6.0426 6.0845 6.0845 6.0845 6.0845 6.8746 6.8746 6.8746 6.8746 7.0303 7.0303 7.0303 7.0303 7.4259 7.4259 7.4259 7.4259 8.2223 8.2223 8.2223 8.2223 9.5867 9.5867 9.5867 9.5867 11.7813 11.7813 11.7813 11.7813 11.8118 11.8118 k = 0.0000 0.5000 0.0264 ( 4146 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3428 -13.3428 -13.3428 -13.3428 -12.9894 -12.9894 -12.9894 -12.9894 -12.9331 -12.9331 -12.9331 -12.9331 -0.0184 -0.0184 -0.0184 -0.0184 4.8197 4.8197 4.8197 4.8197 6.0430 6.0430 6.0430 6.0430 6.0866 6.0866 6.0866 6.0866 6.8750 6.8750 6.8750 6.8750 7.0308 7.0308 7.0308 7.0308 7.4233 7.4233 7.4233 7.4233 8.2339 8.2339 8.2339 8.2339 9.5838 9.5838 9.5838 9.5838 11.7691 11.7691 11.7691 11.7691 11.8210 11.8210 k = 0.0000 0.5000 0.0396 ( 4146 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3428 -13.3428 -13.3428 -13.3428 -12.9894 -12.9894 -12.9894 -12.9894 -12.9330 -12.9330 -12.9330 -12.9330 -0.0169 -0.0169 -0.0169 -0.0169 4.8083 4.8083 4.8083 4.8083 6.0435 6.0435 6.0435 6.0435 6.0901 6.0901 6.0901 6.0901 6.8755 6.8755 6.8755 6.8755 7.0316 7.0316 7.0316 7.0316 7.4190 7.4190 7.4190 7.4190 8.2528 8.2528 8.2528 8.2528 9.5790 9.5790 9.5790 9.5790 11.7487 11.7487 11.7487 11.7487 11.8362 11.8362 k = 0.0000 0.5000 0.0527 ( 4160 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3429 -13.3429 -13.3429 -13.3429 -12.9895 -12.9895 -12.9895 -12.9895 -12.9329 -12.9329 -12.9329 -12.9329 -0.0148 -0.0148 -0.0148 -0.0148 4.7928 4.7928 4.7928 4.7928 6.0441 6.0441 6.0441 6.0441 6.0947 6.0947 6.0947 6.0947 6.8762 6.8762 6.8762 6.8762 7.0326 7.0326 7.0326 7.0326 7.4133 7.4133 7.4133 7.4133 8.2788 8.2788 8.2788 8.2788 9.5725 9.5725 9.5725 9.5725 11.7203 11.7203 11.7203 11.7203 11.8572 11.8572 k = 0.0000 0.5000 0.0659 ( 4156 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3429 -13.3429 -13.3429 -13.3429 -12.9896 -12.9896 -12.9896 -12.9896 -12.9328 -12.9328 -12.9328 -12.9328 -0.0121 -0.0121 -0.0121 -0.0121 4.7736 4.7736 4.7736 4.7736 6.0447 6.0447 6.0447 6.0447 6.1005 6.1005 6.1005 6.1005 6.8771 6.8771 6.8771 6.8771 7.0340 7.0340 7.0340 7.0340 7.4066 7.4066 7.4066 7.4066 8.3113 8.3113 8.3113 8.3113 9.5645 9.5645 9.5645 9.5645 11.6842 11.6842 11.6842 11.6842 11.8839 11.8839 k = 0.0000 0.5000 0.0791 ( 4156 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3430 -13.3430 -13.3430 -13.3430 -12.9897 -12.9897 -12.9897 -12.9897 -12.9327 -12.9327 -12.9327 -12.9327 -0.0089 -0.0089 -0.0089 -0.0089 4.7513 4.7513 4.7513 4.7513 6.0452 6.0452 6.0452 6.0452 6.1071 6.1071 6.1071 6.1071 6.8782 6.8782 6.8782 6.8782 7.0357 7.0357 7.0357 7.0357 7.3990 7.3990 7.3990 7.3990 8.3500 8.3500 8.3500 8.3500 9.5551 9.5551 9.5551 9.5551 11.6407 11.6407 11.6407 11.6407 11.9161 11.9161 k = 0.0000 0.5000 0.0923 ( 4156 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3430 -13.3430 -13.3430 -13.3430 -12.9898 -12.9898 -12.9898 -12.9898 -12.9325 -12.9325 -12.9325 -12.9325 -0.0053 -0.0053 -0.0053 -0.0053 4.7264 4.7264 4.7264 4.7264 6.0457 6.0457 6.0457 6.0457 6.1143 6.1143 6.1143 6.1143 6.8795 6.8795 6.8795 6.8795 7.0376 7.0376 7.0376 7.0376 7.3908 7.3908 7.3908 7.3908 8.3941 8.3941 8.3941 8.3941 9.5445 9.5445 9.5445 9.5445 11.5906 11.5906 11.5906 11.5906 11.9534 11.9534 k = 0.0000 0.5000 0.1055 ( 4152 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3431 -13.3431 -13.3431 -13.3431 -12.9900 -12.9900 -12.9900 -12.9900 -12.9323 -12.9323 -12.9323 -12.9323 -0.0013 -0.0013 -0.0013 -0.0013 4.6994 4.6994 4.6994 4.6994 6.0461 6.0461 6.0461 6.0461 6.1219 6.1219 6.1219 6.1219 6.8808 6.8808 6.8808 6.8808 7.0399 7.0399 7.0399 7.0399 7.3823 7.3823 7.3823 7.3823 8.4432 8.4432 8.4432 8.4432 9.5330 9.5330 9.5330 9.5330 11.5344 11.5344 11.5344 11.5344 11.9956 11.9956 k = 0.0000 0.5000 0.1187 ( 4156 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3432 -13.3432 -13.3432 -13.3432 -12.9901 -12.9901 -12.9901 -12.9901 -12.9321 -12.9321 -12.9321 -12.9321 0.0030 0.0030 0.0030 0.0030 4.6711 4.6711 4.6711 4.6711 6.0463 6.0463 6.0463 6.0463 6.1296 6.1296 6.1296 6.1296 6.8822 6.8822 6.8822 6.8822 7.0423 7.0423 7.0423 7.0423 7.3736 7.3736 7.3736 7.3736 8.4966 8.4966 8.4966 8.4966 9.5209 9.5209 9.5209 9.5209 11.4732 11.4732 11.4732 11.4732 12.0423 12.0423 k = 0.0000 0.5000 0.1318 ( 4144 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3432 -13.3432 -13.3432 -13.3432 -12.9902 -12.9902 -12.9902 -12.9902 -12.9319 -12.9319 -12.9319 -12.9319 0.0077 0.0077 0.0077 0.0077 4.6418 4.6418 4.6418 4.6418 6.0466 6.0466 6.0466 6.0466 6.1372 6.1372 6.1372 6.1372 6.8837 6.8837 6.8837 6.8837 7.0450 7.0450 7.0450 7.0450 7.3650 7.3650 7.3650 7.3650 8.5537 8.5537 8.5537 8.5537 9.5083 9.5083 9.5083 9.5083 11.4078 11.4078 11.4078 11.4078 12.0932 12.0932 k = 0.0000 0.5000 0.1450 ( 4146 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3433 -13.3433 -13.3433 -13.3433 -12.9904 -12.9904 -12.9904 -12.9904 -12.9317 -12.9317 -12.9317 -12.9317 0.0125 0.0125 0.0125 0.0125 4.6122 4.6122 4.6122 4.6122 6.0468 6.0468 6.0468 6.0468 6.1445 6.1445 6.1445 6.1445 6.8852 6.8852 6.8852 6.8852 7.0479 7.0479 7.0479 7.0479 7.3565 7.3565 7.3565 7.3565 8.6140 8.6140 8.6140 8.6140 9.4956 9.4956 9.4956 9.4956 11.3391 11.3391 11.3391 11.3391 12.1478 12.1478 k = 0.0000 0.5000 0.1582 ( 4134 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3434 -13.3434 -13.3434 -13.3434 -12.9905 -12.9905 -12.9905 -12.9905 -12.9314 -12.9314 -12.9314 -12.9314 0.0174 0.0174 0.0174 0.0174 4.5828 4.5828 4.5828 4.5828 6.0469 6.0469 6.0469 6.0469 6.1515 6.1515 6.1515 6.1515 6.8867 6.8867 6.8867 6.8867 7.0510 7.0510 7.0510 7.0510 7.3482 7.3482 7.3482 7.3482 8.6769 8.6769 8.6769 8.6769 9.4828 9.4828 9.4828 9.4828 11.2680 11.2680 11.2680 11.2680 12.2054 12.2054 k = 0.0000 0.5000 0.1714 ( 4134 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3434 -13.3434 -13.3434 -13.3434 -12.9907 -12.9907 -12.9907 -12.9907 -12.9312 -12.9312 -12.9312 -12.9312 0.0223 0.0223 0.0223 0.0223 4.5539 4.5539 4.5539 4.5539 6.0471 6.0471 6.0471 6.0471 6.1580 6.1580 6.1580 6.1580 6.8882 6.8882 6.8882 6.8882 7.0542 7.0542 7.0542 7.0542 7.3403 7.3403 7.3403 7.3403 8.7415 8.7415 8.7415 8.7415 9.4703 9.4703 9.4703 9.4703 11.1955 11.1955 11.1955 11.1955 12.2332 12.2332 k = 0.0000 0.5000 0.1846 ( 4142 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3435 -13.3435 -13.3435 -13.3435 -12.9909 -12.9909 -12.9909 -12.9909 -12.9310 -12.9310 -12.9310 -12.9310 0.0272 0.0272 0.0272 0.0272 4.5262 4.5262 4.5262 4.5262 6.0471 6.0471 6.0471 6.0471 6.1639 6.1639 6.1639 6.1639 6.8896 6.8896 6.8896 6.8896 7.0574 7.0574 7.0574 7.0574 7.3327 7.3327 7.3327 7.3327 8.8072 8.8072 8.8072 8.8072 9.4583 9.4583 9.4583 9.4583 11.1224 11.1224 11.1224 11.1224 12.2183 12.2183 k = 0.0000 0.5000 0.1978 ( 4152 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3436 -13.3436 -13.3436 -13.3436 -12.9910 -12.9910 -12.9910 -12.9910 -12.9309 -12.9309 -12.9309 -12.9309 0.0319 0.0319 0.0319 0.0319 4.4999 4.4999 4.4999 4.4999 6.0471 6.0471 6.0471 6.0471 6.1692 6.1692 6.1692 6.1692 6.8908 6.8908 6.8908 6.8908 7.0606 7.0606 7.0606 7.0606 7.3257 7.3257 7.3257 7.3257 8.8732 8.8732 8.8732 8.8732 9.4468 9.4468 9.4468 9.4468 11.0495 11.0495 11.0495 11.0495 12.2042 12.2042 k = 0.0000 0.5000 0.2109 ( 4156 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3437 -13.3437 -13.3437 -13.3437 -12.9912 -12.9912 -12.9912 -12.9912 -12.9307 -12.9307 -12.9307 -12.9307 0.0364 0.0364 0.0364 0.0364 4.4754 4.4754 4.4754 4.4754 6.0472 6.0472 6.0472 6.0472 6.1740 6.1740 6.1740 6.1740 6.8921 6.8921 6.8921 6.8921 7.0638 7.0638 7.0638 7.0638 7.3191 7.3191 7.3191 7.3191 8.9386 8.9386 8.9386 8.9386 9.4362 9.4362 9.4362 9.4362 10.9781 10.9781 10.9781 10.9781 12.1915 12.1915 k = 0.0000 0.5000 0.2241 ( 4144 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3437 -13.3437 -13.3437 -13.3437 -12.9913 -12.9913 -12.9913 -12.9913 -12.9305 -12.9305 -12.9305 -12.9305 0.0406 0.0406 0.0406 0.0406 4.4530 4.4530 4.4530 4.4530 6.0472 6.0472 6.0472 6.0472 6.1781 6.1781 6.1781 6.1781 6.8933 6.8933 6.8933 6.8933 7.0668 7.0668 7.0668 7.0668 7.3131 7.3131 7.3131 7.3131 9.0023 9.0023 9.0023 9.0023 9.4265 9.4265 9.4265 9.4265 10.9090 10.9090 10.9090 10.9090 12.1803 12.1803 k = 0.0000 0.5000 0.2373 ( 4152 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3438 -13.3438 -13.3438 -13.3438 -12.9914 -12.9914 -12.9914 -12.9914 -12.9304 -12.9304 -12.9304 -12.9304 0.0444 0.0444 0.0444 0.0444 4.4330 4.4330 4.4330 4.4330 6.0473 6.0473 6.0473 6.0473 6.1817 6.1817 6.1817 6.1817 6.8943 6.8943 6.8943 6.8943 7.0697 7.0697 7.0697 7.0697 7.3077 7.3077 7.3077 7.3077 9.0630 9.0630 9.0630 9.0630 9.4178 9.4178 9.4178 9.4178 10.8437 10.8437 10.8437 10.8437 12.1706 12.1706 k = 0.0000 0.5000 0.2505 ( 4144 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3439 -13.3439 -13.3439 -13.3439 -12.9915 -12.9915 -12.9915 -12.9915 -12.9302 -12.9302 -12.9302 -12.9302 0.0478 0.0478 0.0478 0.0478 4.4157 4.4157 4.4157 4.4157 6.0473 6.0473 6.0473 6.0473 6.1847 6.1847 6.1847 6.1847 6.8952 6.8952 6.8952 6.8952 7.0723 7.0723 7.0723 7.0723 7.3031 7.3031 7.3031 7.3031 9.1193 9.1193 9.1193 9.1193 9.4103 9.4103 9.4103 9.4103 10.7836 10.7836 10.7836 10.7836 12.1624 12.1624 k = 0.0000 0.5000 0.2637 ( 4144 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3439 -13.3439 -13.3439 -13.3439 -12.9916 -12.9916 -12.9916 -12.9916 -12.9301 -12.9301 -12.9301 -12.9301 0.0506 0.0506 0.0506 0.0506 4.4013 4.4013 4.4013 4.4013 6.0473 6.0473 6.0473 6.0473 6.1871 6.1871 6.1871 6.1871 6.8959 6.8959 6.8959 6.8959 7.0745 7.0745 7.0745 7.0745 7.2992 7.2992 7.2992 7.2992 9.1694 9.1694 9.1694 9.1694 9.4040 9.4040 9.4040 9.4040 10.7303 10.7303 10.7303 10.7303 12.1557 12.1557 k = 0.0000 0.5000 0.2769 ( 4140 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3439 -13.3439 -13.3439 -13.3439 -12.9916 -12.9916 -12.9916 -12.9916 -12.9300 -12.9300 -12.9300 -12.9300 0.0529 0.0529 0.0529 0.0529 4.3899 4.3899 4.3899 4.3899 6.0473 6.0473 6.0473 6.0473 6.1889 6.1889 6.1889 6.1889 6.8964 6.8964 6.8965 6.8965 7.0764 7.0764 7.0764 7.0764 7.2961 7.2961 7.2961 7.2961 9.2114 9.2114 9.2114 9.2114 9.3991 9.3991 9.3991 9.3991 10.6859 10.6859 10.6859 10.6859 12.1505 12.1505 k = 0.0000 0.5000 0.2900 ( 4132 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3439 -13.3439 -13.3439 -13.3439 -12.9917 -12.9917 -12.9917 -12.9917 -12.9299 -12.9299 -12.9299 -12.9299 0.0545 0.0545 0.0545 0.0545 4.3816 4.3816 4.3816 4.3816 6.0473 6.0473 6.0473 6.0473 6.1903 6.1903 6.1903 6.1903 6.8969 6.8969 6.8969 6.8969 7.0778 7.0778 7.0778 7.0778 7.2939 7.2939 7.2939 7.2939 9.2434 9.2434 9.2434 9.2434 9.3955 9.3955 9.3955 9.3955 10.6522 10.6522 10.6522 10.6522 12.1468 12.1468 k = 0.0000 0.5000 0.3032 ( 4128 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3439 -13.3439 -13.3439 -13.3439 -12.9917 -12.9917 -12.9917 -12.9917 -12.9299 -12.9299 -12.9299 -12.9299 0.0555 0.0555 0.0555 0.0555 4.3767 4.3767 4.3767 4.3767 6.0474 6.0474 6.0474 6.0474 6.1911 6.1911 6.1911 6.1911 6.8972 6.8972 6.8972 6.8972 7.0786 7.0786 7.0786 7.0786 7.2925 7.2925 7.2925 7.2925 9.2634 9.2634 9.2634 9.2634 9.3933 9.3933 9.3933 9.3933 10.6311 10.6311 10.6311 10.6311 12.1445 12.1445 k = 0.0000 0.5000 0.3164 ( 4124 PWs) bands (ev): -32.0279 -32.0279 -32.0279 -32.0279 -13.3439 -13.3439 -13.3439 -13.3439 -12.9917 -12.9917 -12.9917 -12.9917 -12.9298 -12.9298 -12.9298 -12.9298 0.0558 0.0558 0.0558 0.0558 4.3750 4.3750 4.3750 4.3750 6.0474 6.0474 6.0474 6.0474 6.1913 6.1913 6.1913 6.1913 6.8973 6.8973 6.8973 6.8973 7.0789 7.0789 7.0789 7.0789 7.2921 7.2921 7.2921 7.2921 9.2703 9.2703 9.2703 9.2703 9.3926 9.3926 9.3926 9.3926 10.6240 10.6240 10.6240 10.6240 12.1438 12.1438 k = 0.5000 0.5000-0.0000 ( 4160 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3518 -13.3518 -13.3518 -13.3518 -12.9975 -12.9975 -12.9975 -12.9975 -12.9480 -12.9480 -12.9480 -12.9480 0.4811 0.4811 0.4811 0.4811 4.0244 4.0244 4.0244 4.0244 6.5019 6.5019 6.5019 6.5019 6.6209 6.6209 6.6209 6.6209 6.8383 6.8383 6.8383 6.8383 7.3858 7.3858 7.3858 7.3858 7.4340 7.4340 7.4340 7.4340 7.7862 7.7862 7.7862 7.7862 8.2829 8.2829 8.2829 8.2829 9.5581 9.5581 9.5581 9.5581 12.3831 12.3831 k = 0.5000 0.5000 0.0132 ( 4160 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3518 -13.3518 -13.3518 -13.3518 -12.9975 -12.9975 -12.9975 -12.9975 -12.9480 -12.9480 -12.9480 -12.9480 0.4814 0.4814 0.4814 0.4814 4.0244 4.0244 4.0244 4.0244 6.5014 6.5014 6.5014 6.5014 6.6199 6.6199 6.6199 6.6199 6.8385 6.8385 6.8385 6.8385 7.3849 7.3849 7.3849 7.3849 7.4340 7.4340 7.4340 7.4340 7.7856 7.7856 7.7856 7.7856 8.2831 8.2831 8.2831 8.2831 9.5602 9.5602 9.5602 9.5602 12.3886 12.3886 k = 0.5000 0.5000 0.0264 ( 4152 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3518 -13.3518 -13.3518 -13.3518 -12.9975 -12.9975 -12.9975 -12.9975 -12.9481 -12.9481 -12.9481 -12.9481 0.4821 0.4821 0.4821 0.4821 4.0243 4.0243 4.0243 4.0243 6.4999 6.4999 6.4999 6.4999 6.6168 6.6168 6.6168 6.6168 6.8390 6.8390 6.8390 6.8390 7.3823 7.3823 7.3823 7.3823 7.4339 7.4339 7.4339 7.4339 7.7839 7.7839 7.7839 7.7839 8.2838 8.2838 8.2838 8.2838 9.5662 9.5662 9.5662 9.5662 12.4051 12.4051 k = 0.5000 0.5000 0.0396 ( 4144 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3518 -13.3518 -13.3518 -13.3518 -12.9974 -12.9974 -12.9974 -12.9974 -12.9481 -12.9481 -12.9481 -12.9481 0.4833 0.4833 0.4833 0.4833 4.0241 4.0241 4.0241 4.0241 6.4975 6.4975 6.4975 6.4975 6.6117 6.6117 6.6117 6.6117 6.8398 6.8398 6.8398 6.8398 7.3779 7.3779 7.3779 7.3779 7.4338 7.4338 7.4338 7.4338 7.7810 7.7810 7.7810 7.7810 8.2849 8.2849 8.2849 8.2849 9.5763 9.5763 9.5763 9.5763 12.4322 12.4322 k = 0.5000 0.5000 0.0527 ( 4128 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3517 -13.3517 -13.3517 -13.3517 -12.9973 -12.9973 -12.9973 -12.9973 -12.9481 -12.9481 -12.9481 -12.9481 0.4849 0.4849 0.4849 0.4849 4.0238 4.0238 4.0238 4.0238 6.4941 6.4941 6.4941 6.4941 6.6045 6.6045 6.6045 6.6045 6.8409 6.8409 6.8409 6.8409 7.3720 7.3720 7.3720 7.3720 7.4337 7.4337 7.4337 7.4337 7.7771 7.7771 7.7771 7.7771 8.2864 8.2864 8.2864 8.2864 9.5901 9.5901 9.5901 9.5901 12.4696 12.4696 k = 0.5000 0.5000 0.0659 ( 4124 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3517 -13.3517 -13.3517 -13.3517 -12.9973 -12.9973 -12.9973 -12.9973 -12.9482 -12.9482 -12.9482 -12.9482 0.4870 0.4870 0.4870 0.4870 4.0235 4.0235 4.0235 4.0235 6.4899 6.4899 6.4899 6.4899 6.5953 6.5953 6.5953 6.5953 6.8423 6.8423 6.8423 6.8423 7.3648 7.3648 7.3648 7.3648 7.4336 7.4336 7.4336 7.4336 7.7724 7.7724 7.7724 7.7724 8.2882 8.2882 8.2882 8.2882 9.6075 9.6075 9.6075 9.6075 12.5167 12.5167 k = 0.5000 0.5000 0.0791 ( 4124 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3517 -13.3517 -13.3517 -13.3517 -12.9972 -12.9972 -12.9972 -12.9972 -12.9482 -12.9482 -12.9482 -12.9482 0.4895 0.4895 0.4895 0.4895 4.0232 4.0232 4.0232 4.0232 6.4850 6.4850 6.4850 6.4850 6.5842 6.5842 6.5842 6.5842 6.8439 6.8439 6.8439 6.8439 7.3566 7.3566 7.3566 7.3566 7.4334 7.4334 7.4334 7.4334 7.7668 7.7668 7.7668 7.7668 8.2902 8.2902 8.2902 8.2902 9.6281 9.6281 9.6281 9.6281 12.5727 12.5727 k = 0.5000 0.5000 0.0923 ( 4124 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3517 -13.3517 -13.3517 -13.3517 -12.9972 -12.9972 -12.9972 -12.9972 -12.9484 -12.9484 -12.9484 -12.9484 0.4923 0.4923 0.4923 0.4923 4.0227 4.0227 4.0227 4.0227 6.4794 6.4794 6.4794 6.4794 6.5713 6.5713 6.5713 6.5713 6.8457 6.8457 6.8457 6.8457 7.3476 7.3476 7.3476 7.3476 7.4332 7.4332 7.4332 7.4332 7.7608 7.7608 7.7608 7.7608 8.2923 8.2923 8.2923 8.2923 9.6518 9.6518 9.6518 9.6518 12.6365 12.6365 k = 0.5000 0.5000 0.1055 ( 4116 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3516 -13.3516 -13.3516 -13.3516 -12.9971 -12.9971 -12.9971 -12.9971 -12.9484 -12.9484 -12.9484 -12.9484 0.4954 0.4954 0.4954 0.4954 4.0223 4.0223 4.0223 4.0223 6.4734 6.4734 6.4734 6.4734 6.5568 6.5568 6.5568 6.5568 6.8477 6.8477 6.8477 6.8477 7.3382 7.3382 7.3382 7.3382 7.4331 7.4331 7.4331 7.4331 7.7542 7.7542 7.7542 7.7542 8.2946 8.2946 8.2946 8.2946 9.6780 9.6780 9.6780 9.6780 12.7067 12.7067 k = 0.5000 0.5000 0.1187 ( 4124 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3516 -13.3516 -13.3516 -13.3516 -12.9970 -12.9970 -12.9970 -12.9970 -12.9486 -12.9486 -12.9486 -12.9486 0.4987 0.4987 0.4987 0.4987 4.0218 4.0218 4.0218 4.0218 6.4669 6.4669 6.4669 6.4669 6.5409 6.5409 6.5409 6.5409 6.8498 6.8498 6.8498 6.8498 7.3285 7.3285 7.3285 7.3285 7.4329 7.4329 7.4329 7.4329 7.7475 7.7475 7.7475 7.7475 8.2969 8.2969 8.2969 8.2969 9.7065 9.7065 9.7065 9.7065 12.7808 12.7808 k = 0.5000 0.5000 0.1318 ( 4132 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3516 -13.3516 -13.3516 -13.3516 -12.9970 -12.9970 -12.9970 -12.9970 -12.9487 -12.9487 -12.9487 -12.9487 0.5023 0.5023 0.5023 0.5023 4.0212 4.0212 4.0212 4.0212 6.4601 6.4601 6.4601 6.4601 6.5239 6.5239 6.5239 6.5239 6.8519 6.8519 6.8519 6.8519 7.3189 7.3189 7.3189 7.3189 7.4327 7.4327 7.4327 7.4327 7.7406 7.7406 7.7406 7.7406 8.2991 8.2991 8.2991 8.2991 9.7366 9.7366 9.7366 9.7366 12.8554 12.8554 k = 0.5000 0.5000 0.1450 ( 4132 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3516 -13.3516 -13.3516 -13.3516 -12.9969 -12.9969 -12.9969 -12.9969 -12.9489 -12.9489 -12.9489 -12.9489 0.5060 0.5060 0.5060 0.5060 4.0207 4.0207 4.0207 4.0207 6.4532 6.4532 6.4532 6.4532 6.5062 6.5062 6.5062 6.5062 6.8541 6.8541 6.8541 6.8541 7.3095 7.3095 7.3095 7.3095 7.4326 7.4326 7.4326 7.4326 7.7337 7.7337 7.7337 7.7337 8.3013 8.3013 8.3013 8.3013 9.7681 9.7681 9.7681 9.7681 12.9250 12.9250 k = 0.5000 0.5000 0.1582 ( 4140 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3516 -13.3516 -13.3516 -13.3516 -12.9969 -12.9969 -12.9969 -12.9969 -12.9490 -12.9490 -12.9490 -12.9490 0.5097 0.5097 0.5097 0.5097 4.0201 4.0201 4.0201 4.0201 6.4460 6.4460 6.4460 6.4460 6.4880 6.4880 6.4880 6.4880 6.8563 6.8563 6.8563 6.8563 7.3005 7.3005 7.3005 7.3005 7.4325 7.4325 7.4325 7.4325 7.7269 7.7269 7.7269 7.7269 8.3034 8.3034 8.3034 8.3034 9.8004 9.8004 9.8004 9.8004 12.9825 12.9825 k = 0.5000 0.5000 0.1714 ( 4140 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3516 -13.3516 -13.3516 -13.3516 -12.9968 -12.9968 -12.9968 -12.9968 -12.9491 -12.9491 -12.9491 -12.9491 0.5135 0.5135 0.5135 0.5135 4.0196 4.0196 4.0196 4.0196 6.4387 6.4387 6.4387 6.4387 6.4699 6.4699 6.4699 6.4699 6.8585 6.8585 6.8585 6.8585 7.2921 7.2921 7.2921 7.2921 7.4323 7.4323 7.4323 7.4323 7.7204 7.7204 7.7204 7.7204 8.3054 8.3054 8.3054 8.3054 9.8329 9.8329 9.8329 9.8329 13.0240 13.0240 k = 0.5000 0.5000 0.1846 ( 4132 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3515 -13.3515 -13.3515 -13.3515 -12.9967 -12.9967 -12.9967 -12.9967 -12.9493 -12.9493 -12.9493 -12.9493 0.5172 0.5172 0.5172 0.5172 4.0190 4.0190 4.0190 4.0190 6.4308 6.4308 6.4308 6.4308 6.4528 6.4528 6.4528 6.4528 6.8606 6.8606 6.8606 6.8606 7.2844 7.2844 7.2844 7.2844 7.4322 7.4322 7.4322 7.4322 7.7142 7.7142 7.7142 7.7142 8.3073 8.3073 8.3073 8.3073 9.8650 9.8650 9.8650 9.8650 13.0521 13.0521 k = 0.5000 0.5000 0.1978 ( 4112 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3514 -13.3514 -13.3514 -13.3514 -12.9965 -12.9965 -12.9965 -12.9965 -12.9494 -12.9494 -12.9494 -12.9494 0.5209 0.5209 0.5209 0.5209 4.0185 4.0185 4.0185 4.0185 6.4213 6.4213 6.4213 6.4213 6.4382 6.4382 6.4382 6.4382 6.8627 6.8627 6.8627 6.8627 7.2774 7.2774 7.2774 7.2774 7.4321 7.4321 7.4321 7.4321 7.7085 7.7085 7.7085 7.7085 8.3090 8.3090 8.3090 8.3090 9.8964 9.8964 9.8964 9.8964 13.0714 13.0714 k = 0.5000 0.5000 0.2109 ( 4112 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3514 -13.3514 -13.3514 -13.3514 -12.9965 -12.9965 -12.9965 -12.9965 -12.9495 -12.9495 -12.9495 -12.9495 0.5243 0.5243 0.5243 0.5243 4.0180 4.0180 4.0180 4.0180 6.4088 6.4088 6.4088 6.4088 6.4278 6.4278 6.4278 6.4278 6.8645 6.8645 6.8645 6.8645 7.2711 7.2711 7.2711 7.2711 7.4320 7.4320 7.4320 7.4320 7.7032 7.7032 7.7032 7.7032 8.3105 8.3105 8.3105 8.3105 9.9263 9.9263 9.9263 9.9263 13.0855 13.0855 k = 0.5000 0.5000 0.2241 ( 4112 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3514 -13.3514 -13.3514 -13.3514 -12.9964 -12.9964 -12.9964 -12.9964 -12.9496 -12.9496 -12.9496 -12.9496 0.5275 0.5275 0.5275 0.5275 4.0175 4.0175 4.0175 4.0175 6.3947 6.3947 6.3947 6.3947 6.4206 6.4206 6.4206 6.4206 6.8662 6.8662 6.8662 6.8662 7.2655 7.2655 7.2655 7.2655 7.4319 7.4319 7.4319 7.4319 7.6984 7.6984 7.6984 7.6984 8.3118 8.3118 8.3118 8.3118 9.9542 9.9542 9.9542 9.9542 13.0963 13.0964 k = 0.5000 0.5000 0.2373 ( 4112 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3514 -13.3514 -13.3514 -13.3514 -12.9963 -12.9963 -12.9963 -12.9963 -12.9497 -12.9497 -12.9497 -12.9497 0.5304 0.5304 0.5304 0.5304 4.0171 4.0171 4.0171 4.0171 6.3810 6.3810 6.3810 6.3810 6.4150 6.4150 6.4150 6.4150 6.8676 6.8676 6.8676 6.8676 7.2608 7.2608 7.2608 7.2608 7.4318 7.4318 7.4318 7.4318 7.6942 7.6942 7.6942 7.6942 8.3129 8.3129 8.3129 8.3129 9.9797 9.9797 9.9797 9.9797 13.1050 13.1050 k = 0.5000 0.5000 0.2505 ( 4116 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3514 -13.3514 -13.3514 -13.3514 -12.9963 -12.9963 -12.9963 -12.9963 -12.9498 -12.9498 -12.9498 -12.9498 0.5329 0.5329 0.5329 0.5329 4.0167 4.0167 4.0167 4.0167 6.3686 6.3686 6.3686 6.3686 6.4104 6.4104 6.4104 6.4104 6.8689 6.8689 6.8689 6.8689 7.2567 7.2567 7.2567 7.2567 7.4317 7.4317 7.4317 7.4317 7.6906 7.6906 7.6906 7.6906 8.3139 8.3139 8.3139 8.3139 10.0022 10.0022 10.0022 10.0022 13.1119 13.1119 k = 0.5000 0.5000 0.2637 ( 4108 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3513 -13.3513 -13.3513 -13.3513 -12.9962 -12.9962 -12.9962 -12.9962 -12.9499 -12.9499 -12.9499 -12.9499 0.5351 0.5351 0.5351 0.5351 4.0164 4.0164 4.0164 4.0164 6.3580 6.3580 6.3580 6.3580 6.4068 6.4068 6.4068 6.4068 6.8700 6.8700 6.8700 6.8700 7.2535 7.2535 7.2535 7.2535 7.4317 7.4317 7.4317 7.4317 7.6876 7.6876 7.6876 7.6876 8.3147 8.3147 8.3147 8.3147 10.0214 10.0214 10.0214 10.0214 13.1174 13.1174 k = 0.5000 0.5000 0.2769 ( 4116 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3514 -13.3514 -13.3514 -13.3514 -12.9962 -12.9962 -12.9962 -12.9962 -12.9499 -12.9499 -12.9499 -12.9499 0.5368 0.5368 0.5368 0.5368 4.0162 4.0162 4.0162 4.0162 6.3496 6.3496 6.3496 6.3496 6.4039 6.4039 6.4039 6.4039 6.8708 6.8708 6.8708 6.8708 7.2510 7.2510 7.2510 7.2510 7.4315 7.4315 7.4315 7.4315 7.6853 7.6853 7.6853 7.6853 8.3153 8.3153 8.3153 8.3153 10.0366 10.0366 10.0366 10.0366 13.1216 13.1216 k = 0.5000 0.5000 0.2900 ( 4108 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3513 -13.3513 -13.3513 -13.3513 -12.9961 -12.9961 -12.9961 -12.9961 -12.9500 -12.9500 -12.9500 -12.9500 0.5380 0.5380 0.5380 0.5380 4.0160 4.0160 4.0160 4.0160 6.3434 6.3434 6.3434 6.3434 6.4019 6.4019 6.4019 6.4019 6.8714 6.8714 6.8714 6.8714 7.2492 7.2492 7.2492 7.2492 7.4315 7.4315 7.4315 7.4315 7.6836 7.6836 7.6836 7.6836 8.3158 8.3158 8.3158 8.3158 10.0478 10.0478 10.0478 10.0478 13.1246 13.1246 k = 0.5000 0.5000 0.3032 ( 4096 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3513 -13.3513 -13.3513 -13.3513 -12.9961 -12.9961 -12.9961 -12.9961 -12.9500 -12.9500 -12.9500 -12.9500 0.5388 0.5388 0.5388 0.5388 4.0159 4.0159 4.0159 4.0159 6.3397 6.3397 6.3397 6.3397 6.4006 6.4006 6.4006 6.4006 6.8719 6.8719 6.8719 6.8719 7.2482 7.2482 7.2482 7.2482 7.4315 7.4315 7.4315 7.4315 7.6827 7.6827 7.6827 7.6827 8.3160 8.3160 8.3160 8.3160 10.0546 10.0546 10.0546 10.0546 13.1264 13.1264 k = 0.5000 0.5000 0.3164 ( 4096 PWs) bands (ev): -32.0258 -32.0258 -32.0258 -32.0258 -13.3513 -13.3513 -13.3513 -13.3513 -12.9961 -12.9961 -12.9961 -12.9961 -12.9500 -12.9500 -12.9500 -12.9500 0.5390 0.5390 0.5390 0.5390 4.0158 4.0158 4.0158 4.0158 6.3384 6.3384 6.3384 6.3384 6.4002 6.4002 6.4002 6.4002 6.8720 6.8720 6.8720 6.8720 7.2478 7.2478 7.2478 7.2478 7.4315 7.4315 7.4315 7.4315 7.6823 7.6823 7.6823 7.6823 8.3161 8.3161 8.3161 8.3161 10.0569 10.0569 10.0569 10.0569 13.1270 13.1270 Writing output data file CaNiGe.save init_run : 0.36s CPU 0.61s WALL ( 1 calls) electrons : 406.87s CPU 413.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 406.86s CPU 413.54s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.08s WALL ( 339 calls) cegterg : 390.63s CPU 395.89s WALL ( 1324 calls) Called by sum_band: Called by *egterg: h_psi : 161.40s CPU 164.32s WALL ( 25134 calls) s_psi : 13.30s CPU 13.52s WALL ( 25134 calls) g_psi : 0.52s CPU 0.50s WALL ( 23471 calls) cdiaghg : 182.32s CPU 184.43s WALL ( 23810 calls) cegterg:over : 15.10s CPU 15.32s WALL ( 23471 calls) cegterg:upda : 15.47s CPU 15.57s WALL ( 23471 calls) cegterg:last : 6.76s CPU 6.71s WALL ( 2673 calls) cdiaghg:chol : 10.10s CPU 10.22s WALL ( 23810 calls) cdiaghg:inve : 7.27s CPU 7.02s WALL ( 23810 calls) cdiaghg:para : 10.87s CPU 11.01s WALL ( 47620 calls) Called by h_psi: h_psi:vloc : 130.48s CPU 132.81s WALL ( 25134 calls) h_psi:vnl : 30.49s CPU 31.01s WALL ( 25134 calls) add_vuspsi : 15.65s CPU 16.07s WALL ( 25134 calls) General routines calbec : 14.76s CPU 14.87s WALL ( 25134 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 122.40s CPU 124.72s WALL ( 1771348 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.28s WALL ( 678 calls) Parallel routines fft_scatter : 48.22s CPU 49.58s WALL ( 1771371 calls) PWSCF : 7m 5.38s CPU 7m45.70s WALL This run was terminated on: 16:48:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=