Program PWSCF v.5.1.1 starts on 13Jun2016 at 8:45: 6 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaZnSe2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 19 5 1257 677 107 Max 30 20 6 1262 694 114 Sum 1433 949 285 60479 32993 5377 bravais-lattice index = 14 lattice parameter (alat) = 8.0502 a.u. unit-cell volume = 781.3334 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.050233 celldm(2)= 1.000000 celldm(3)= 1.497653 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 1.497653 ) 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 0.667712 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 2 for Ca read from file: /home/autes/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 Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Ca 10.00 40.07800 Ca( 1.00) Zn 12.00 65.40900 Zn( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0029586 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0029586 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0029586 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0029586 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0029586 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0029586 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0029586 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0029586 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0029586 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0029586 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0029586 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0029586 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0029586 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0029586 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0029586 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0029586 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0029586 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0029586 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0029586 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0029586 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0029586 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0029586 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0029586 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0029586 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0029586 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0029586 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0029586 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0029586 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0029586 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0029586 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0029586 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0029586 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0029586 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0029586 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0029586 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0029586 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 78) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0029586 k( 79) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0029586 k( 80) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0029586 k( 81) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0029586 k( 82) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0029586 k( 83) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0029586 k( 84) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0029586 k( 85) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0029586 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0029586 k( 87) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0029586 k( 88) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0029586 k( 89) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0029586 k( 90) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0029586 k( 91) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0029586 k( 92) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0029586 k( 93) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0029586 k( 94) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0029586 k( 95) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0029586 k( 96) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0029586 k( 97) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0029586 k( 98) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0029586 k( 99) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0029586 k( 100) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0029586 k( 101) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0029586 k( 102) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0029586 k( 103) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0029586 k( 104) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0029586 k( 105) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0029586 k( 106) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0029586 k( 107) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0029586 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0029586 k( 109) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0029586 k( 110) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0029586 k( 111) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0029586 k( 112) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0029586 k( 113) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0029586 k( 114) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0029586 k( 115) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0029586 k( 116) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0029586 k( 117) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0029586 k( 118) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0029586 k( 119) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0029586 k( 120) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0029586 k( 121) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0029586 k( 122) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0029586 k( 123) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0029586 k( 124) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0029586 k( 125) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0029586 k( 126) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0029586 k( 127) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0029586 k( 128) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0029586 k( 129) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 132) = ( 0.0000000 0.0000000 0.0133542), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.0267085), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.0400627), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.0534169), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.0667712), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.0801254), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.0934796), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.1068339), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.1201881), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.1335423), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.1468966), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.1602508), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.1736050), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.1869592), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.2003135), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.2136677), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.2270219), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.2403762), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.2537304), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.2670846), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.2804389), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.2937931), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.3071473), wk = 0.0029586 k( 155) = ( 0.0000000 0.0000000 0.3205016), wk = 0.0029586 k( 156) = ( 0.0000000 0.0000000 0.3338558), wk = 0.0029586 k( 157) = ( 0.0000000 0.0000000 0.3338558), wk = 0.0029586 k( 158) = ( 0.0000000 0.0135135 0.3338558), wk = 0.0029586 k( 159) = ( 0.0000000 0.0270270 0.3338558), wk = 0.0029586 k( 160) = ( 0.0000000 0.0405405 0.3338558), wk = 0.0029586 k( 161) = ( 0.0000000 0.0540540 0.3338558), wk = 0.0029586 k( 162) = ( 0.0000000 0.0675676 0.3338558), wk = 0.0029586 k( 163) = ( 0.0000000 0.0810811 0.3338558), wk = 0.0029586 k( 164) = ( 0.0000000 0.0945946 0.3338558), wk = 0.0029586 k( 165) = ( 0.0000000 0.1081081 0.3338558), wk = 0.0029586 k( 166) = ( 0.0000000 0.1216216 0.3338558), wk = 0.0029586 k( 167) = ( 0.0000000 0.1351351 0.3338558), wk = 0.0029586 k( 168) = ( 0.0000000 0.1486486 0.3338558), wk = 0.0029586 k( 169) = ( 0.0000000 0.1621622 0.3338558), wk = 0.0029586 k( 170) = ( 0.0000000 0.1756757 0.3338558), wk = 0.0029586 k( 171) = ( 0.0000000 0.1891892 0.3338558), wk = 0.0029586 k( 172) = ( 0.0000000 0.2027027 0.3338558), wk = 0.0029586 k( 173) = ( 0.0000000 0.2162162 0.3338558), wk = 0.0029586 k( 174) = ( 0.0000000 0.2297297 0.3338558), wk = 0.0029586 k( 175) = ( 0.0000000 0.2432432 0.3338558), wk = 0.0029586 k( 176) = ( 0.0000000 0.2567568 0.3338558), wk = 0.0029586 k( 177) = ( 0.0000000 0.2702703 0.3338558), wk = 0.0029586 k( 178) = ( 0.0000000 0.2837838 0.3338558), wk = 0.0029586 k( 179) = ( 0.0000000 0.2972973 0.3338558), wk = 0.0029586 k( 180) = ( 0.0000000 0.3108108 0.3338558), wk = 0.0029586 k( 181) = ( 0.0000000 0.3243243 0.3338558), wk = 0.0029586 k( 182) = ( 0.0000000 0.3378378 0.3338558), wk = 0.0029586 k( 183) = ( 0.0000000 0.3513514 0.3338558), wk = 0.0029586 k( 184) = ( 0.0000000 0.3648649 0.3338558), wk = 0.0029586 k( 185) = ( 0.0000000 0.3783784 0.3338558), wk = 0.0029586 k( 186) = ( 0.0000000 0.3918919 0.3338558), wk = 0.0029586 k( 187) = ( 0.0000000 0.4054054 0.3338558), wk = 0.0029586 k( 188) = ( 0.0000000 0.4189189 0.3338558), wk = 0.0029586 k( 189) = ( 0.0000000 0.4324324 0.3338558), wk = 0.0029586 k( 190) = ( 0.0000000 0.4459459 0.3338558), wk = 0.0029586 k( 191) = ( 0.0000000 0.4594595 0.3338558), wk = 0.0029586 k( 192) = ( 0.0000000 0.4729730 0.3338558), wk = 0.0029586 k( 193) = ( 0.0000000 0.4864865 0.3338558), wk = 0.0029586 k( 194) = ( 0.0000000 0.5000000 0.3338558), wk = 0.0029586 k( 195) = ( 0.0000000 0.5000000 0.3338558), wk = 0.0029586 k( 196) = ( 0.0135135 0.5000000 0.3338558), wk = 0.0029586 k( 197) = ( 0.0270270 0.5000000 0.3338558), wk = 0.0029586 k( 198) = ( 0.0405405 0.5000000 0.3338558), wk = 0.0029586 k( 199) = ( 0.0540540 0.5000000 0.3338558), wk = 0.0029586 k( 200) = ( 0.0675676 0.5000000 0.3338558), wk = 0.0029586 k( 201) = ( 0.0810811 0.5000000 0.3338558), wk = 0.0029586 k( 202) = ( 0.0945946 0.5000000 0.3338558), wk = 0.0029586 k( 203) = ( 0.1081081 0.5000000 0.3338558), wk = 0.0029586 k( 204) = ( 0.1216216 0.5000000 0.3338558), wk = 0.0029586 k( 205) = ( 0.1351351 0.5000000 0.3338558), wk = 0.0029586 k( 206) = ( 0.1486486 0.5000000 0.3338558), wk = 0.0029586 k( 207) = ( 0.1621622 0.5000000 0.3338558), wk = 0.0029586 k( 208) = ( 0.1756757 0.5000000 0.3338558), wk = 0.0029586 k( 209) = ( 0.1891892 0.5000000 0.3338558), wk = 0.0029586 k( 210) = ( 0.2027027 0.5000000 0.3338558), wk = 0.0029586 k( 211) = ( 0.2162162 0.5000000 0.3338558), wk = 0.0029586 k( 212) = ( 0.2297297 0.5000000 0.3338558), wk = 0.0029586 k( 213) = ( 0.2432432 0.5000000 0.3338558), wk = 0.0029586 k( 214) = ( 0.2567568 0.5000000 0.3338558), wk = 0.0029586 k( 215) = ( 0.2702703 0.5000000 0.3338558), wk = 0.0029586 k( 216) = ( 0.2837838 0.5000000 0.3338558), wk = 0.0029586 k( 217) = ( 0.2972973 0.5000000 0.3338558), wk = 0.0029586 k( 218) = ( 0.3108108 0.5000000 0.3338558), wk = 0.0029586 k( 219) = ( 0.3243243 0.5000000 0.3338558), wk = 0.0029586 k( 220) = ( 0.3378378 0.5000000 0.3338558), wk = 0.0029586 k( 221) = ( 0.3513514 0.5000000 0.3338558), wk = 0.0029586 k( 222) = ( 0.3648649 0.5000000 0.3338558), wk = 0.0029586 k( 223) = ( 0.3783784 0.5000000 0.3338558), wk = 0.0029586 k( 224) = ( 0.3918919 0.5000000 0.3338558), wk = 0.0029586 k( 225) = ( 0.4054054 0.5000000 0.3338558), wk = 0.0029586 k( 226) = ( 0.4189189 0.5000000 0.3338558), wk = 0.0029586 k( 227) = ( 0.4324324 0.5000000 0.3338558), wk = 0.0029586 k( 228) = ( 0.4459459 0.5000000 0.3338558), wk = 0.0029586 k( 229) = ( 0.4594595 0.5000000 0.3338558), wk = 0.0029586 k( 230) = ( 0.4729730 0.5000000 0.3338558), wk = 0.0029586 k( 231) = ( 0.4864865 0.5000000 0.3338558), wk = 0.0029586 k( 232) = ( 0.5000000 0.5000000 0.3338558), wk = 0.0029586 k( 233) = ( 0.5000000 0.5000000 0.3338558), wk = 0.0029586 k( 234) = ( 0.4905660 0.4905660 0.3338558), wk = 0.0029586 k( 235) = ( 0.4811321 0.4811321 0.3338558), wk = 0.0029586 k( 236) = ( 0.4716981 0.4716981 0.3338558), wk = 0.0029586 k( 237) = ( 0.4622641 0.4622641 0.3338558), wk = 0.0029586 k( 238) = ( 0.4528302 0.4528302 0.3338558), wk = 0.0029586 k( 239) = ( 0.4433962 0.4433962 0.3338558), wk = 0.0029586 k( 240) = ( 0.4339623 0.4339623 0.3338558), wk = 0.0029586 k( 241) = ( 0.4245283 0.4245283 0.3338558), wk = 0.0029586 k( 242) = ( 0.4150943 0.4150943 0.3338558), wk = 0.0029586 k( 243) = ( 0.4056604 0.4056604 0.3338558), wk = 0.0029586 k( 244) = ( 0.3962264 0.3962264 0.3338558), wk = 0.0029586 k( 245) = ( 0.3867925 0.3867924 0.3338558), wk = 0.0029586 k( 246) = ( 0.3773585 0.3773585 0.3338558), wk = 0.0029586 k( 247) = ( 0.3679245 0.3679245 0.3338558), wk = 0.0029586 k( 248) = ( 0.3584906 0.3584906 0.3338558), wk = 0.0029586 k( 249) = ( 0.3490566 0.3490566 0.3338558), wk = 0.0029586 k( 250) = ( 0.3396226 0.3396226 0.3338558), wk = 0.0029586 k( 251) = ( 0.3301887 0.3301887 0.3338558), wk = 0.0029586 k( 252) = ( 0.3207547 0.3207547 0.3338558), wk = 0.0029586 k( 253) = ( 0.3113207 0.3113207 0.3338558), wk = 0.0029586 k( 254) = ( 0.3018868 0.3018868 0.3338558), wk = 0.0029586 k( 255) = ( 0.2924528 0.2924528 0.3338558), wk = 0.0029586 k( 256) = ( 0.2830189 0.2830189 0.3338558), wk = 0.0029586 k( 257) = ( 0.2735849 0.2735849 0.3338558), wk = 0.0029586 k( 258) = ( 0.2641509 0.2641509 0.3338558), wk = 0.0029586 k( 259) = ( 0.2547170 0.2547170 0.3338558), wk = 0.0029586 k( 260) = ( 0.2452830 0.2452830 0.3338558), wk = 0.0029586 k( 261) = ( 0.2358491 0.2358491 0.3338558), wk = 0.0029586 k( 262) = ( 0.2264151 0.2264151 0.3338558), wk = 0.0029586 k( 263) = ( 0.2169811 0.2169811 0.3338558), wk = 0.0029586 k( 264) = ( 0.2075472 0.2075472 0.3338558), wk = 0.0029586 k( 265) = ( 0.1981132 0.1981132 0.3338558), wk = 0.0029586 k( 266) = ( 0.1886792 0.1886792 0.3338558), wk = 0.0029586 k( 267) = ( 0.1792453 0.1792453 0.3338558), wk = 0.0029586 k( 268) = ( 0.1698113 0.1698113 0.3338558), wk = 0.0029586 k( 269) = ( 0.1603774 0.1603774 0.3338558), wk = 0.0029586 k( 270) = ( 0.1509434 0.1509434 0.3338558), wk = 0.0029586 k( 271) = ( 0.1415094 0.1415094 0.3338558), wk = 0.0029586 k( 272) = ( 0.1320755 0.1320755 0.3338558), wk = 0.0029586 k( 273) = ( 0.1226415 0.1226415 0.3338558), wk = 0.0029586 k( 274) = ( 0.1132076 0.1132075 0.3338558), wk = 0.0029586 k( 275) = ( 0.1037736 0.1037736 0.3338558), wk = 0.0029586 k( 276) = ( 0.0943396 0.0943396 0.3338558), wk = 0.0029586 k( 277) = ( 0.0849057 0.0849057 0.3338558), wk = 0.0029586 k( 278) = ( 0.0754717 0.0754717 0.3338558), wk = 0.0029586 k( 279) = ( 0.0660377 0.0660377 0.3338558), wk = 0.0029586 k( 280) = ( 0.0566038 0.0566038 0.3338558), wk = 0.0029586 k( 281) = ( 0.0471698 0.0471698 0.3338558), wk = 0.0029586 k( 282) = ( 0.0377359 0.0377358 0.3338558), wk = 0.0029586 k( 283) = ( 0.0283019 0.0283019 0.3338558), wk = 0.0029586 k( 284) = ( 0.0188679 0.0188679 0.3338558), wk = 0.0029586 k( 285) = ( 0.0094340 0.0094340 0.3338558), wk = 0.0029586 k( 286) = ( 0.0000000 0.0000000 0.3338558), wk = 0.0029586 k( 287) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 288) = ( 0.0000000 0.5000000 0.0133542), wk = 0.0029586 k( 289) = ( 0.0000000 0.5000000 0.0267085), wk = 0.0029586 k( 290) = ( 0.0000000 0.5000000 0.0400627), wk = 0.0029586 k( 291) = ( 0.0000000 0.5000000 0.0534169), wk = 0.0029586 k( 292) = ( 0.0000000 0.5000000 0.0667712), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 0.0801254), wk = 0.0029586 k( 294) = ( 0.0000000 0.5000000 0.0934796), wk = 0.0029586 k( 295) = ( 0.0000000 0.5000000 0.1068339), wk = 0.0029586 k( 296) = ( 0.0000000 0.5000000 0.1201881), wk = 0.0029586 k( 297) = ( 0.0000000 0.5000000 0.1335423), wk = 0.0029586 k( 298) = ( 0.0000000 0.5000000 0.1468966), wk = 0.0029586 k( 299) = ( 0.0000000 0.5000000 0.1602508), wk = 0.0029586 k( 300) = ( 0.0000000 0.5000000 0.1736050), wk = 0.0029586 k( 301) = ( 0.0000000 0.5000000 0.1869592), wk = 0.0029586 k( 302) = ( 0.0000000 0.5000000 0.2003135), wk = 0.0029586 k( 303) = ( 0.0000000 0.5000000 0.2136677), wk = 0.0029586 k( 304) = ( 0.0000000 0.5000000 0.2270219), wk = 0.0029586 k( 305) = ( 0.0000000 0.5000000 0.2403762), wk = 0.0029586 k( 306) = ( 0.0000000 0.5000000 0.2537304), wk = 0.0029586 k( 307) = ( 0.0000000 0.5000000 0.2670846), wk = 0.0029586 k( 308) = ( 0.0000000 0.5000000 0.2804389), wk = 0.0029586 k( 309) = ( 0.0000000 0.5000000 0.2937931), wk = 0.0029586 k( 310) = ( 0.0000000 0.5000000 0.3071473), wk = 0.0029586 k( 311) = ( 0.0000000 0.5000000 0.3205016), wk = 0.0029586 k( 312) = ( 0.0000000 0.5000000 0.3338558), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 0.0133542), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 0.0267085), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.0400627), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.0534169), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.0667712), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.0801254), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.0934796), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.1068339), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.1201881), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.1335423), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.1468966), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.1602508), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.1736050), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.1869592), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.2003135), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.2136677), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.2270219), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.2403762), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.2537304), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.2670846), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.2804389), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.2937931), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.3071473), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.3205016), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.3338558), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0029586 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0029586 k( 42) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0029586 k( 43) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0029586 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0029586 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0029586 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0029586 k( 47) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0029586 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0029586 k( 49) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0029586 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0029586 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0029586 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0029586 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0029586 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0029586 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0029586 k( 56) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0029586 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0029586 k( 58) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0029586 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0029586 k( 60) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0029586 k( 61) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0029586 k( 62) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0029586 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0029586 k( 64) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0029586 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0029586 k( 66) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0029586 k( 67) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0029586 k( 68) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0029586 k( 69) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0029586 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0029586 k( 71) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0029586 k( 72) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0029586 k( 73) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0029586 k( 74) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0029586 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0029586 k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 77) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 78) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0029586 k( 79) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0029586 k( 80) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0029586 k( 81) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0029586 k( 82) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0029586 k( 83) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0029586 k( 84) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0029586 k( 85) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0029586 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0029586 k( 87) = ( 0.4056604 0.4056604 0.0000000), wk = 0.0029586 k( 88) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0029586 k( 89) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0029586 k( 90) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0029586 k( 91) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0029586 k( 92) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0029586 k( 93) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0029586 k( 94) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0029586 k( 95) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0029586 k( 96) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0029586 k( 97) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0029586 k( 98) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0029586 k( 99) = ( 0.2924528 0.2924528 0.0000000), wk = 0.0029586 k( 100) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0029586 k( 101) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0029586 k( 102) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0029586 k( 103) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0029586 k( 104) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0029586 k( 105) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0029586 k( 106) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0029586 k( 107) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0029586 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0029586 k( 109) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0029586 k( 110) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0029586 k( 111) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0029586 k( 112) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0029586 k( 113) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0029586 k( 114) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0029586 k( 115) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0029586 k( 116) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0029586 k( 117) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0029586 k( 118) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0029586 k( 119) = ( 0.1037736 0.1037736 0.0000000), wk = 0.0029586 k( 120) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0029586 k( 121) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0029586 k( 122) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0029586 k( 123) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0029586 k( 124) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0029586 k( 125) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0029586 k( 126) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0029586 k( 127) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0029586 k( 128) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0029586 k( 129) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0029586 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 132) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0029586 k( 133) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0029586 k( 134) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0029586 k( 135) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0029586 k( 136) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029586 k( 137) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0029586 k( 138) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0029586 k( 139) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0029586 k( 140) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0029586 k( 141) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029586 k( 142) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0029586 k( 145) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0029586 k( 146) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029586 k( 147) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0029586 k( 155) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0029586 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 158) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0029586 k( 159) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0029586 k( 160) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0029586 k( 161) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0029586 k( 162) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0029586 k( 163) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0029586 k( 164) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0029586 k( 165) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0029586 k( 166) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0029586 k( 167) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0029586 k( 168) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0029586 k( 169) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0029586 k( 170) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0029586 k( 171) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0029586 k( 172) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0029586 k( 173) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0029586 k( 174) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0029586 k( 175) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0029586 k( 176) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0029586 k( 177) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0029586 k( 178) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0029586 k( 179) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0029586 k( 180) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0029586 k( 181) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0029586 k( 182) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0029586 k( 183) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0029586 k( 184) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0029586 k( 185) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0029586 k( 186) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0029586 k( 187) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0029586 k( 188) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0029586 k( 189) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0029586 k( 190) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0029586 k( 191) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0029586 k( 192) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0029586 k( 193) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0029586 k( 194) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029586 k( 195) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029586 k( 196) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0029586 k( 197) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0029586 k( 198) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0029586 k( 199) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0029586 k( 200) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0029586 k( 201) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0029586 k( 202) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0029586 k( 203) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0029586 k( 204) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0029586 k( 205) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0029586 k( 206) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0029586 k( 207) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0029586 k( 208) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0029586 k( 209) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0029586 k( 210) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0029586 k( 211) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0029586 k( 212) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0029586 k( 213) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0029586 k( 214) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0029586 k( 215) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0029586 k( 216) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0029586 k( 217) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0029586 k( 218) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0029586 k( 219) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0029586 k( 220) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0029586 k( 221) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0029586 k( 222) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0029586 k( 223) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0029586 k( 224) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0029586 k( 225) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0029586 k( 226) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0029586 k( 227) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0029586 k( 228) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0029586 k( 229) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0029586 k( 230) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0029586 k( 231) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0029586 k( 232) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 233) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 234) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0029586 k( 235) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0029586 k( 236) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0029586 k( 237) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0029586 k( 238) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0029586 k( 239) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0029586 k( 240) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0029586 k( 241) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0029586 k( 242) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0029586 k( 243) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0029586 k( 244) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0029586 k( 245) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0029586 k( 246) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0029586 k( 247) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0029586 k( 248) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0029586 k( 249) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0029586 k( 250) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0029586 k( 251) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0029586 k( 252) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0029586 k( 253) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0029586 k( 254) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0029586 k( 255) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0029586 k( 256) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0029586 k( 257) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0029586 k( 258) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0029586 k( 259) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0029586 k( 260) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0029586 k( 261) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0029586 k( 262) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0029586 k( 263) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0029586 k( 264) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0029586 k( 265) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0029586 k( 266) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0029586 k( 267) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0029586 k( 268) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0029586 k( 269) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0029586 k( 270) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0029586 k( 271) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0029586 k( 272) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0029586 k( 273) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0029586 k( 274) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0029586 k( 275) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0029586 k( 276) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0029586 k( 277) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0029586 k( 278) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0029586 k( 279) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0029586 k( 280) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0029586 k( 281) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0029586 k( 282) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0029586 k( 283) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0029586 k( 284) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0029586 k( 285) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0029586 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 287) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 288) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0029586 k( 289) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0029586 k( 290) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0029586 k( 291) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0029586 k( 292) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0029586 k( 294) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0029586 k( 295) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0029586 k( 296) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0029586 k( 297) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0029586 k( 298) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0029586 k( 299) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0029586 k( 300) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0029586 k( 301) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0029586 k( 302) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0029586 k( 303) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0029586 k( 304) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0029586 k( 305) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0029586 k( 306) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0029586 k( 307) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0029586 k( 308) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0029586 k( 309) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0029586 k( 310) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0029586 k( 311) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0029586 k( 312) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 Dense grid: 60479 G-vectors FFT dimensions: ( 45, 45, 64) Smooth grid: 32993 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 178, 42) NL pseudopotentials 0.11 Mb ( 89, 82) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1260) G-vector shells 0.00 Mb ( 617) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 178, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.11 Mb ( 82, 2, 42) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./CaZnSe2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.7 secs Computing kpt #: 2 total cpu time spent up to now is 45.8 secs Computing kpt #: 3 total cpu time spent up to now is 47.8 secs Computing kpt #: 4 total cpu time spent up to now is 49.8 secs Computing kpt #: 5 total cpu time spent up to now is 51.9 secs Computing kpt #: 6 total cpu time spent up to now is 54.2 secs Computing kpt #: 7 total cpu time spent up to now is 56.2 secs Computing kpt #: 8 total cpu time spent up to now is 58.1 secs Computing kpt #: 9 total cpu time spent up to now is 60.1 secs Computing kpt #: 10 total cpu time spent up to now is 62.1 secs Computing kpt #: 11 total cpu time spent up to now is 64.1 secs Computing kpt #: 12 total cpu time spent up to now is 66.2 secs Computing kpt #: 13 total cpu time spent up to now is 68.6 secs Computing kpt #: 14 total cpu time spent up to now is 70.7 secs Computing kpt #: 15 total cpu time spent up to now is 72.8 secs Computing kpt #: 16 total cpu time spent up to now is 74.9 secs Computing kpt #: 17 total cpu time spent up to now is 77.2 secs Computing kpt #: 18 total cpu time spent up to now is 79.2 secs Computing kpt #: 19 total cpu time spent up to now is 81.0 secs Computing kpt #: 20 total cpu time spent up to now is 82.8 secs Computing kpt #: 21 total cpu time spent up to now is 84.7 secs Computing kpt #: 22 total cpu time spent up to now is 86.6 secs Computing kpt #: 23 total cpu time spent up to now is 88.5 secs Computing kpt #: 24 total cpu time spent up to now is 90.5 secs Computing kpt #: 25 total cpu time spent up to now is 92.1 secs Computing kpt #: 26 total cpu time spent up to now is 94.2 secs Computing kpt #: 27 total cpu time spent up to now is 96.0 secs Computing kpt #: 28 total cpu time spent up to now is 97.5 secs Computing kpt #: 29 total cpu time spent up to now is 99.3 secs Computing kpt #: 30 total cpu time spent up to now is 100.8 secs Computing kpt #: 31 total cpu time spent up to now is 102.5 secs Computing kpt #: 32 total cpu time spent up to now is 104.1 secs Computing kpt #: 33 total cpu time spent up to now is 105.7 secs Computing kpt #: 34 total cpu time spent up to now is 107.5 secs Computing kpt #: 35 total cpu time spent up to now is 109.1 secs Computing kpt #: 36 total cpu time spent up to now is 111.0 secs Computing kpt #: 37 total cpu time spent up to now is 112.7 secs Computing kpt #: 38 total cpu time spent up to now is 114.1 secs Computing kpt #: 39 total cpu time spent up to now is 115.6 secs Computing kpt #: 40 total cpu time spent up to now is 117.3 secs Computing kpt #: 41 total cpu time spent up to now is 119.0 secs Computing kpt #: 42 total cpu time spent up to now is 120.4 secs Computing kpt #: 43 total cpu time spent up to now is 122.0 secs Computing kpt #: 44 total cpu time spent up to now is 123.5 secs Computing kpt #: 45 total cpu time spent up to now is 125.1 secs Computing kpt #: 46 total cpu time spent up to now is 126.6 secs Computing kpt #: 47 total cpu time spent up to now is 128.1 secs Computing kpt #: 48 total cpu time spent up to now is 129.7 secs Computing kpt #: 49 total cpu time spent up to now is 131.3 secs Computing kpt #: 50 total cpu time spent up to now is 132.8 secs Computing kpt #: 51 total cpu time spent up to now is 134.4 secs Computing kpt #: 52 total cpu time spent up to now is 136.3 secs Computing kpt #: 53 total cpu time spent up to now is 138.4 secs Computing kpt #: 54 total cpu time spent up to now is 140.5 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.7 secs Computing kpt #: 56 total cpu time spent up to now is 146.4 secs Computing kpt #: 57 total cpu time spent up to now is 148.6 secs Computing kpt #: 58 total cpu time spent up to now is 150.5 secs Computing kpt #: 59 total cpu time spent up to now is 152.5 secs Computing kpt #: 60 total cpu time spent up to now is 154.2 secs Computing kpt #: 61 total cpu time spent up to now is 156.0 secs Computing kpt #: 62 total cpu time spent up to now is 158.0 secs Computing kpt #: 63 total cpu time spent up to now is 160.4 secs Computing kpt #: 64 total cpu time spent up to now is 162.8 secs Computing kpt #: 65 total cpu time spent up to now is 164.8 secs Computing kpt #: 66 total cpu time spent up to now is 167.4 secs Computing kpt #: 67 total cpu time spent up to now is 170.3 secs Computing kpt #: 68 total cpu time spent up to now is 173.2 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 176.2 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 179.4 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 182.4 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 185.5 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.6 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 191.6 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.7 secs Computing kpt #: 76 total cpu time spent up to now is 196.0 secs Computing kpt #: 77 total cpu time spent up to now is 197.3 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.3 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.3 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.2 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.2 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.3 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.2 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.3 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.3 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.4 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.5 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 230.3 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.4 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.5 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.1 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.5 secs Computing kpt #: 93 total cpu time spent up to now is 245.9 secs Computing kpt #: 94 total cpu time spent up to now is 248.5 secs Computing kpt #: 95 total cpu time spent up to now is 250.6 secs Computing kpt #: 96 total cpu time spent up to now is 252.4 secs Computing kpt #: 97 total cpu time spent up to now is 254.1 secs Computing kpt #: 98 total cpu time spent up to now is 255.9 secs Computing kpt #: 99 total cpu time spent up to now is 257.6 secs Computing kpt #: 100 total cpu time spent up to now is 259.4 secs Computing kpt #: 101 total cpu time spent up to now is 261.1 secs Computing kpt #: 102 total cpu time spent up to now is 263.1 secs Computing kpt #: 103 total cpu time spent up to now is 264.8 secs Computing kpt #: 104 total cpu time spent up to now is 266.4 secs Computing kpt #: 105 total cpu time spent up to now is 268.4 secs Computing kpt #: 106 total cpu time spent up to now is 270.2 secs Computing kpt #: 107 total cpu time spent up to now is 271.8 secs Computing kpt #: 108 total cpu time spent up to now is 273.6 secs Computing kpt #: 109 total cpu time spent up to now is 275.3 secs Computing kpt #: 110 total cpu time spent up to now is 277.0 secs Computing kpt #: 111 total cpu time spent up to now is 278.8 secs Computing kpt #: 112 total cpu time spent up to now is 280.7 secs Computing kpt #: 113 total cpu time spent up to now is 282.3 secs Computing kpt #: 114 total cpu time spent up to now is 284.3 secs Computing kpt #: 115 total cpu time spent up to now is 286.2 secs Computing kpt #: 116 total cpu time spent up to now is 287.9 secs Computing kpt #: 117 total cpu time spent up to now is 289.6 secs Computing kpt #: 118 total cpu time spent up to now is 291.5 secs Computing kpt #: 119 total cpu time spent up to now is 293.6 secs Computing kpt #: 120 total cpu time spent up to now is 295.6 secs Computing kpt #: 121 total cpu time spent up to now is 297.7 secs Computing kpt #: 122 total cpu time spent up to now is 299.5 secs Computing kpt #: 123 total cpu time spent up to now is 301.6 secs Computing kpt #: 124 total cpu time spent up to now is 303.9 secs Computing kpt #: 125 total cpu time spent up to now is 305.9 secs Computing kpt #: 126 total cpu time spent up to now is 308.3 secs Computing kpt #: 127 total cpu time spent up to now is 310.3 secs Computing kpt #: 128 total cpu time spent up to now is 312.3 secs Computing kpt #: 129 total cpu time spent up to now is 314.2 secs Computing kpt #: 130 total cpu time spent up to now is 316.2 secs Computing kpt #: 131 total cpu time spent up to now is 318.1 secs Computing kpt #: 132 total cpu time spent up to now is 320.1 secs Computing kpt #: 133 total cpu time spent up to now is 321.9 secs Computing kpt #: 134 total cpu time spent up to now is 323.8 secs Computing kpt #: 135 total cpu time spent up to now is 325.8 secs Computing kpt #: 136 total cpu time spent up to now is 328.2 secs Computing kpt #: 137 total cpu time spent up to now is 330.6 secs Computing kpt #: 138 total cpu time spent up to now is 332.7 secs Computing kpt #: 139 total cpu time spent up to now is 335.3 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.3 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.3 secs Computing kpt #: 142 total cpu time spent up to now is 343.3 secs Computing kpt #: 143 total cpu time spent up to now is 345.3 secs Computing kpt #: 144 total cpu time spent up to now is 347.1 secs Computing kpt #: 145 total cpu time spent up to now is 348.7 secs Computing kpt #: 146 total cpu time spent up to now is 350.4 secs Computing kpt #: 147 total cpu time spent up to now is 352.1 secs Computing kpt #: 148 total cpu time spent up to now is 353.7 secs Computing kpt #: 149 total cpu time spent up to now is 355.1 secs Computing kpt #: 150 total cpu time spent up to now is 356.6 secs Computing kpt #: 151 total cpu time spent up to now is 358.1 secs Computing kpt #: 152 total cpu time spent up to now is 359.5 secs Computing kpt #: 153 total cpu time spent up to now is 360.8 secs Computing kpt #: 154 total cpu time spent up to now is 362.2 secs Computing kpt #: 155 total cpu time spent up to now is 363.6 secs Computing kpt #: 156 total cpu time spent up to now is 365.0 secs Computing kpt #: 157 total cpu time spent up to now is 366.4 secs Computing kpt #: 158 total cpu time spent up to now is 367.8 secs Computing kpt #: 159 total cpu time spent up to now is 369.2 secs Computing kpt #: 160 total cpu time spent up to now is 370.6 secs Computing kpt #: 161 total cpu time spent up to now is 372.0 secs Computing kpt #: 162 total cpu time spent up to now is 373.4 secs Computing kpt #: 163 total cpu time spent up to now is 374.9 secs Computing kpt #: 164 total cpu time spent up to now is 376.3 secs Computing kpt #: 165 total cpu time spent up to now is 377.8 secs Computing kpt #: 166 total cpu time spent up to now is 379.2 secs Computing kpt #: 167 total cpu time spent up to now is 380.7 secs Computing kpt #: 168 total cpu time spent up to now is 382.3 secs Computing kpt #: 169 total cpu time spent up to now is 383.8 secs Computing kpt #: 170 total cpu time spent up to now is 385.4 secs Computing kpt #: 171 total cpu time spent up to now is 387.0 secs Computing kpt #: 172 total cpu time spent up to now is 388.9 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 391.9 secs Computing kpt #: 174 total cpu time spent up to now is 394.9 secs Computing kpt #: 175 total cpu time spent up to now is 397.0 secs Computing kpt #: 176 total cpu time spent up to now is 399.1 secs Computing kpt #: 177 total cpu time spent up to now is 401.4 secs Computing kpt #: 178 total cpu time spent up to now is 403.4 secs Computing kpt #: 179 total cpu time spent up to now is 405.3 secs Computing kpt #: 180 total cpu time spent up to now is 407.4 secs Computing kpt #: 181 total cpu time spent up to now is 409.3 secs Computing kpt #: 182 total cpu time spent up to now is 411.2 secs Computing kpt #: 183 total cpu time spent up to now is 413.1 secs Computing kpt #: 184 total cpu time spent up to now is 415.0 secs Computing kpt #: 185 total cpu time spent up to now is 416.9 secs Computing kpt #: 186 total cpu time spent up to now is 418.7 secs Computing kpt #: 187 total cpu time spent up to now is 420.6 secs Computing kpt #: 188 total cpu time spent up to now is 422.6 secs Computing kpt #: 189 total cpu time spent up to now is 424.5 secs Computing kpt #: 190 total cpu time spent up to now is 426.5 secs Computing kpt #: 191 total cpu time spent up to now is 428.3 secs Computing kpt #: 192 total cpu time spent up to now is 430.2 secs Computing kpt #: 193 total cpu time spent up to now is 432.2 secs Computing kpt #: 194 total cpu time spent up to now is 434.5 secs Computing kpt #: 195 total cpu time spent up to now is 436.5 secs Computing kpt #: 196 total cpu time spent up to now is 438.5 secs Computing kpt #: 197 total cpu time spent up to now is 440.9 secs Computing kpt #: 198 total cpu time spent up to now is 443.2 secs Computing kpt #: 199 total cpu time spent up to now is 445.5 secs Computing kpt #: 200 total cpu time spent up to now is 447.9 secs Computing kpt #: 201 total cpu time spent up to now is 449.7 secs Computing kpt #: 202 total cpu time spent up to now is 451.9 secs Computing kpt #: 203 total cpu time spent up to now is 454.1 secs Computing kpt #: 204 total cpu time spent up to now is 457.1 secs Computing kpt #: 205 total cpu time spent up to now is 459.7 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.8 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 465.9 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.0 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.1 secs Computing kpt #: 210 total cpu time spent up to now is 474.3 secs Computing kpt #: 211 total cpu time spent up to now is 477.2 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 480.2 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.2 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 486.2 secs Computing kpt #: 215 total cpu time spent up to now is 489.0 secs Computing kpt #: 216 total cpu time spent up to now is 491.2 secs Computing kpt #: 217 total cpu time spent up to now is 493.6 secs Computing kpt #: 218 total cpu time spent up to now is 496.2 secs Computing kpt #: 219 total cpu time spent up to now is 498.9 secs Computing kpt #: 220 total cpu time spent up to now is 501.6 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.7 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.7 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.8 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.9 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 517.0 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 520.1 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 523.1 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 526.3 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 529.4 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 532.5 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 535.5 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 538.3 secs Computing kpt #: 233 total cpu time spent up to now is 541.6 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 545.9 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 549.2 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 552.4 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.5 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 558.6 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 561.7 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.7 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 567.8 secs Computing kpt #: 242 total cpu time spent up to now is 570.4 secs Computing kpt #: 243 total cpu time spent up to now is 573.1 secs Computing kpt #: 244 total cpu time spent up to now is 575.7 secs Computing kpt #: 245 total cpu time spent up to now is 578.2 secs Computing kpt #: 246 total cpu time spent up to now is 580.8 secs Computing kpt #: 247 total cpu time spent up to now is 583.2 secs Computing kpt #: 248 total cpu time spent up to now is 585.6 secs Computing kpt #: 249 total cpu time spent up to now is 587.7 secs Computing kpt #: 250 total cpu time spent up to now is 589.9 secs Computing kpt #: 251 total cpu time spent up to now is 592.1 secs Computing kpt #: 252 total cpu time spent up to now is 594.1 secs Computing kpt #: 253 total cpu time spent up to now is 596.1 secs Computing kpt #: 254 total cpu time spent up to now is 597.9 secs Computing kpt #: 255 total cpu time spent up to now is 599.7 secs Computing kpt #: 256 total cpu time spent up to now is 601.4 secs Computing kpt #: 257 total cpu time spent up to now is 603.1 secs Computing kpt #: 258 total cpu time spent up to now is 604.7 secs Computing kpt #: 259 total cpu time spent up to now is 606.5 secs Computing kpt #: 260 total cpu time spent up to now is 608.3 secs Computing kpt #: 261 total cpu time spent up to now is 610.1 secs Computing kpt #: 262 total cpu time spent up to now is 611.7 secs Computing kpt #: 263 total cpu time spent up to now is 613.6 secs Computing kpt #: 264 total cpu time spent up to now is 615.8 secs Computing kpt #: 265 total cpu time spent up to now is 617.9 secs Computing kpt #: 266 total cpu time spent up to now is 619.6 secs Computing kpt #: 267 total cpu time spent up to now is 621.5 secs Computing kpt #: 268 total cpu time spent up to now is 624.0 secs Computing kpt #: 269 total cpu time spent up to now is 626.0 secs Computing kpt #: 270 total cpu time spent up to now is 627.7 secs Computing kpt #: 271 total cpu time spent up to now is 629.3 secs Computing kpt #: 272 total cpu time spent up to now is 630.9 secs Computing kpt #: 273 total cpu time spent up to now is 632.5 secs Computing kpt #: 274 total cpu time spent up to now is 634.1 secs Computing kpt #: 275 total cpu time spent up to now is 635.6 secs Computing kpt #: 276 total cpu time spent up to now is 637.1 secs Computing kpt #: 277 total cpu time spent up to now is 638.6 secs Computing kpt #: 278 total cpu time spent up to now is 640.2 secs Computing kpt #: 279 total cpu time spent up to now is 641.7 secs Computing kpt #: 280 total cpu time spent up to now is 643.1 secs Computing kpt #: 281 total cpu time spent up to now is 644.6 secs Computing kpt #: 282 total cpu time spent up to now is 646.1 secs Computing kpt #: 283 total cpu time spent up to now is 647.4 secs Computing kpt #: 284 total cpu time spent up to now is 648.9 secs Computing kpt #: 285 total cpu time spent up to now is 650.3 secs Computing kpt #: 286 total cpu time spent up to now is 651.7 secs Computing kpt #: 287 total cpu time spent up to now is 653.3 secs Computing kpt #: 288 total cpu time spent up to now is 654.8 secs Computing kpt #: 289 total cpu time spent up to now is 656.3 secs Computing kpt #: 290 total cpu time spent up to now is 657.9 secs Computing kpt #: 291 total cpu time spent up to now is 659.4 secs Computing kpt #: 292 total cpu time spent up to now is 661.0 secs Computing kpt #: 293 total cpu time spent up to now is 662.4 secs Computing kpt #: 294 total cpu time spent up to now is 664.0 secs Computing kpt #: 295 total cpu time spent up to now is 665.5 secs Computing kpt #: 296 total cpu time spent up to now is 666.9 secs Computing kpt #: 297 total cpu time spent up to now is 668.4 secs Computing kpt #: 298 total cpu time spent up to now is 670.0 secs Computing kpt #: 299 total cpu time spent up to now is 671.7 secs Computing kpt #: 300 total cpu time spent up to now is 673.2 secs Computing kpt #: 301 total cpu time spent up to now is 675.2 secs Computing kpt #: 302 total cpu time spent up to now is 677.0 secs Computing kpt #: 303 total cpu time spent up to now is 678.9 secs Computing kpt #: 304 total cpu time spent up to now is 680.6 secs Computing kpt #: 305 total cpu time spent up to now is 682.7 secs Computing kpt #: 306 total cpu time spent up to now is 684.7 secs Computing kpt #: 307 total cpu time spent up to now is 687.0 secs Computing kpt #: 308 total cpu time spent up to now is 689.3 secs Computing kpt #: 309 total cpu time spent up to now is 691.3 secs Computing kpt #: 310 total cpu time spent up to now is 693.8 secs Computing kpt #: 311 total cpu time spent up to now is 695.8 secs Computing kpt #: 312 total cpu time spent up to now is 697.6 secs Computing kpt #: 313 total cpu time spent up to now is 699.1 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 702.0 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 704.9 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 707.9 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 710.8 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 713.7 secs Computing kpt #: 319 total cpu time spent up to now is 716.3 secs Computing kpt #: 320 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 719.2 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 722.1 secs Computing kpt #: 322 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 724.9 secs Computing kpt #: 323 total cpu time spent up to now is 727.7 secs Computing kpt #: 324 total cpu time spent up to now is 730.4 secs Computing kpt #: 325 total cpu time spent up to now is 733.0 secs Computing kpt #: 326 total cpu time spent up to now is 735.5 secs Computing kpt #: 327 total cpu time spent up to now is 738.0 secs Computing kpt #: 328 total cpu time spent up to now is 740.4 secs Computing kpt #: 329 total cpu time spent up to now is 743.1 secs Computing kpt #: 330 total cpu time spent up to now is 745.6 secs Computing kpt #: 331 total cpu time spent up to now is 748.2 secs Computing kpt #: 332 total cpu time spent up to now is 750.7 secs Computing kpt #: 333 total cpu time spent up to now is 753.0 secs Computing kpt #: 334 total cpu time spent up to now is 755.2 secs Computing kpt #: 335 total cpu time spent up to now is 757.9 secs Computing kpt #: 336 total cpu time spent up to now is 760.7 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 763.7 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 766.7 secs ethr = 2.94E-11, avg # of iterations = 69.3 total cpu time spent up to now is 766.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4131 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7926 -16.7926 -7.9014 -7.9014 -7.1815 -7.1815 -2.1356 -2.1356 -2.0388 -2.0388 -1.7809 -1.7809 -1.7693 -1.7693 -1.6225 -1.6225 0.8691 0.8691 2.5981 2.5981 2.7672 2.7672 3.4674 3.4674 3.7703 3.7703 3.8350 3.8350 5.4047 5.4047 6.6313 6.6313 8.1498 8.1498 9.1508 9.1508 k = 0.0000 0.0135-0.0000 ( 4131 PWs) bands (ev): -35.9067 -35.9067 -17.1912 -17.1906 -16.8322 -16.8322 -16.7929 -16.7923 -7.9009 -7.9008 -7.1817 -7.1814 -2.1358 -2.1352 -2.0421 -2.0355 -1.7847 -1.7773 -1.7694 -1.7687 -1.6230 -1.6220 0.8672 0.8711 2.5916 2.5999 2.7645 2.7648 3.4650 3.4677 3.7657 3.7712 3.8311 3.8326 5.4125 5.4135 6.6353 6.6353 8.1523 8.1529 9.1492 9.1495 k = 0.0000 0.0270-0.0000 ( 4129 PWs) bands (ev): -35.9067 -35.9067 -17.1916 -17.1904 -16.8323 -16.8323 -16.7932 -16.7919 -7.8992 -7.8991 -7.1818 -7.1814 -2.1360 -2.1347 -2.0451 -2.0320 -1.7885 -1.7747 -1.7681 -1.7678 -1.6235 -1.6216 0.8653 0.8733 2.5794 2.5969 2.7576 2.7579 3.4605 3.4655 3.7561 3.7683 3.8229 3.8243 5.4363 5.4383 6.6474 6.6474 8.1606 8.1618 9.1447 9.1453 k = 0.0000 0.0405-0.0000 ( 4137 PWs) bands (ev): -35.9067 -35.9067 -17.1920 -17.1903 -16.8325 -16.8325 -16.7935 -16.7916 -7.8963 -7.8963 -7.1820 -7.1814 -2.1361 -2.1340 -2.0481 -2.0284 -1.7921 -1.7737 -1.7667 -1.7650 -1.6240 -1.6212 0.8634 0.8755 2.5598 2.5878 2.7475 2.7496 3.4535 3.4601 3.7395 3.7598 3.8135 3.8142 5.4745 5.4773 6.6676 6.6678 8.1743 8.1761 9.1373 9.1382 k = 0.0000 0.0541-0.0000 ( 4141 PWs) bands (ev): -35.9067 -35.9067 -17.1924 -17.1902 -16.8329 -16.8328 -16.7938 -16.7913 -7.8924 -7.8923 -7.1823 -7.1814 -2.1360 -2.1332 -2.0509 -2.0247 -1.7955 -1.7735 -1.7654 -1.7608 -1.6244 -1.6208 0.8613 0.8776 2.5310 2.5704 2.7375 2.7422 3.4437 3.4505 3.7160 3.7431 3.8044 3.8073 5.5246 5.5281 6.6961 6.6966 8.1932 8.1957 9.1274 9.1285 k = 0.0000 0.0676-0.0000 ( 4141 PWs) bands (ev): -35.9067 -35.9066 -17.1929 -17.1901 -16.8333 -16.8332 -16.7940 -16.7910 -7.8873 -7.8872 -7.1826 -7.1815 -2.1359 -2.1323 -2.0536 -2.0208 -1.7987 -1.7735 -1.7639 -1.7562 -1.6248 -1.6204 0.8589 0.8796 2.4924 2.5430 2.7306 2.7376 3.4302 3.4356 3.6886 3.7194 3.7987 3.8023 5.5839 5.5879 6.7329 6.7339 8.2169 8.2202 9.1150 9.1164 k = 0.0000 0.0811-0.0000 ( 4141 PWs) bands (ev): -35.9066 -35.9066 -17.1934 -17.1901 -16.8337 -16.8336 -16.7942 -16.7906 -7.8812 -7.8811 -7.1830 -7.1817 -2.1358 -2.1311 -2.0562 -2.0169 -1.8017 -1.7735 -1.7622 -1.7513 -1.6251 -1.6201 0.8560 0.8813 2.4444 2.5055 2.7279 2.7364 3.4121 3.4141 3.6607 3.6921 3.7949 3.7985 5.6498 5.6540 6.7783 6.7800 8.2448 8.2491 9.1006 9.1022 k = 0.0000 0.0946-0.0000 ( 4141 PWs) bands (ev): -35.9066 -35.9066 -17.1939 -17.1901 -16.8343 -16.8341 -16.7943 -16.7903 -7.8740 -7.8738 -7.1835 -7.1820 -2.1355 -2.1298 -2.0586 -2.0128 -1.8045 -1.7735 -1.7604 -1.7464 -1.6253 -1.6198 0.8522 0.8823 2.3889 2.4596 2.7292 2.7384 3.3852 3.3887 3.6350 3.6646 3.7920 3.7953 5.7197 5.7238 6.8322 6.8348 8.2764 8.2817 9.0842 9.0860 k = 0.0000 0.1081-0.0000 ( 4131 PWs) bands (ev): -35.9065 -35.9065 -17.1945 -17.1902 -16.8350 -16.8346 -16.7944 -16.7900 -7.8657 -7.8655 -7.1841 -7.1824 -2.1352 -2.1283 -2.0608 -2.0086 -1.8071 -1.7734 -1.7583 -1.7414 -1.6254 -1.6195 0.8472 0.8823 2.3278 2.4076 2.7337 2.7431 3.3492 3.3596 3.6126 3.6389 3.7893 3.7922 5.7915 5.7952 6.8946 6.8983 8.3111 8.3175 9.0664 9.0683 k = 0.0000 0.1216-0.0000 ( 4127 PWs) bands (ev): -35.9065 -35.9065 -17.1950 -17.1903 -16.8357 -16.8352 -16.7945 -16.7897 -7.8564 -7.8562 -7.1848 -7.1829 -2.1348 -2.1265 -2.0630 -2.0043 -1.8094 -1.7732 -1.7561 -1.7365 -1.6254 -1.6192 0.8407 0.8811 2.2630 2.3515 2.7406 2.7501 3.3074 3.3249 3.5935 3.6158 3.7866 3.7891 5.8635 5.8665 6.9653 6.9702 8.3480 8.3555 9.0473 9.0494 k = 0.0000 0.1351-0.0000 ( 4127 PWs) bands (ev): -35.9064 -35.9064 -17.1956 -17.1905 -16.8365 -16.8359 -16.7945 -16.7895 -7.8462 -7.8459 -7.1857 -7.1836 -2.1343 -2.1245 -2.0651 -2.0000 -1.8116 -1.7730 -1.7537 -1.7316 -1.6251 -1.6190 0.8323 0.8780 2.1965 2.2933 2.7494 2.7590 3.2614 3.2856 3.5768 3.5953 3.7836 3.7859 5.9345 5.9365 7.0436 7.0499 8.3863 8.3949 9.0272 9.0294 k = 0.0000 0.1486-0.0000 ( 4125 PWs) bands (ev): -35.9064 -35.9064 -17.1963 -17.1908 -16.8374 -16.8366 -16.7945 -16.7892 -7.8350 -7.8347 -7.1867 -7.1844 -2.1339 -2.1223 -2.0670 -1.9956 -1.8135 -1.7728 -1.7510 -1.7269 -1.6247 -1.6189 0.8214 0.8725 2.1299 2.2349 2.7596 2.7694 3.2129 3.2426 3.5614 3.5768 3.7803 3.7824 6.0037 6.0046 7.1288 7.1363 8.4252 8.4348 9.0065 9.0089 k = 0.0000 0.1622-0.0000 ( 4125 PWs) bands (ev): -35.9063 -35.9063 -17.1969 -17.1911 -16.8383 -16.8373 -16.7945 -16.7890 -7.8229 -7.8226 -7.1880 -7.1855 -2.1333 -2.1199 -2.0689 -1.9912 -1.8153 -1.7725 -1.7482 -1.7223 -1.6240 -1.6188 0.8076 0.8640 2.0649 2.1778 2.7708 2.7813 3.1633 3.1973 3.5465 3.5596 3.7767 3.7786 6.0705 6.0707 7.2198 7.2285 8.4636 8.4739 8.9854 8.9879 k = 0.0000 0.1757-0.0000 ( 4125 PWs) bands (ev): -35.9062 -35.9062 -17.1975 -17.1915 -16.8393 -16.8381 -16.7944 -16.7887 -7.8099 -7.8096 -7.1894 -7.1868 -2.1327 -2.1172 -2.0706 -1.9868 -1.8168 -1.7722 -1.7452 -1.7180 -1.6230 -1.6187 0.7905 0.8519 2.0030 2.1232 2.7824 2.7942 3.1140 3.1506 3.5316 3.5430 3.7728 3.7746 6.1340 6.1354 7.3153 7.3250 8.5006 8.5110 8.9643 8.9667 k = 0.0000 0.1892-0.0000 ( 4129 PWs) bands (ev): -35.9062 -35.9062 -17.1982 -17.1919 -16.8403 -16.8390 -16.7942 -16.7885 -7.7962 -7.7958 -7.1912 -7.1884 -2.1320 -2.1142 -2.0722 -1.9824 -1.8181 -1.7719 -1.7420 -1.7139 -1.6218 -1.6187 0.7696 0.8355 1.9456 2.0724 2.7938 2.8081 3.0663 3.1037 3.5161 3.5264 3.7686 3.7703 6.1954 6.1980 7.4140 7.4243 8.5346 8.5444 8.9432 8.9457 k = 0.0000 0.2027-0.0000 ( 4117 PWs) bands (ev): -35.9061 -35.9061 -17.1988 -17.1923 -16.8414 -16.8398 -16.7940 -16.7883 -7.7816 -7.7812 -7.1932 -7.1903 -2.1313 -2.1110 -2.0737 -1.9780 -1.8192 -1.7715 -1.7385 -1.7101 -1.6203 -1.6188 0.7448 0.8143 1.8938 2.0261 2.8039 2.8227 3.0218 3.0572 3.4997 3.5095 3.7640 3.7656 6.2550 6.2587 7.5142 7.5248 8.5640 8.5718 8.9225 8.9251 k = 0.0000 0.2162-0.0000 ( 4105 PWs) bands (ev): -35.9060 -35.9060 -17.1994 -17.1928 -16.8424 -16.8407 -16.7938 -16.7881 -7.7664 -7.7659 -7.1955 -7.1926 -2.1305 -2.1075 -2.0750 -1.9737 -1.8201 -1.7711 -1.7349 -1.7067 -1.6189 -1.6184 0.7158 0.7879 1.8484 1.9849 2.8103 2.8376 2.9833 3.0123 3.4822 3.4919 3.7591 3.7607 6.3131 6.3179 7.6144 7.6246 8.5864 8.5904 8.9024 8.9050 k = 0.0000 0.2297-0.0000 ( 4109 PWs) bands (ev): -35.9060 -35.9060 -17.2001 -17.1933 -16.8435 -16.8416 -16.7936 -16.7879 -7.7505 -7.7499 -7.1983 -7.1952 -2.1297 -2.1039 -2.0761 -1.9696 -1.8208 -1.7708 -1.7310 -1.7036 -1.6191 -1.6163 0.6828 0.7561 1.8100 1.9493 2.8092 2.8518 2.9551 2.9702 3.4635 3.4733 3.7540 3.7555 6.3700 6.3757 7.7129 7.7222 8.5972 8.5992 8.8830 8.8857 k = 0.0000 0.2432-0.0000 ( 4105 PWs) bands (ev): -35.9059 -35.9059 -17.2007 -17.1939 -16.8446 -16.8426 -16.7933 -16.7877 -7.7340 -7.7334 -7.2014 -7.1982 -2.1288 -2.1002 -2.0770 -1.9656 -1.8213 -1.7705 -1.7269 -1.7008 -1.6194 -1.6139 0.6459 0.7193 1.7786 1.9191 2.7963 2.8621 2.9346 2.9418 3.4435 3.4538 3.7485 3.7500 6.4260 6.4327 7.8081 7.8157 8.5905 8.6001 8.8645 8.8675 k = 0.0000 0.2568-0.0000 ( 4105 PWs) bands (ev): -35.9058 -35.9058 -17.2013 -17.1945 -16.8456 -16.8435 -16.7931 -16.7876 -7.7170 -7.7163 -7.2049 -7.2017 -2.1278 -2.0965 -2.0775 -1.9618 -1.8215 -1.7702 -1.7227 -1.6983 -1.6198 -1.6113 0.6058 0.6779 1.7539 1.8941 2.7729 2.8567 2.9175 2.9423 3.4220 3.4330 3.7427 3.7442 6.4814 6.4889 7.8980 7.9032 8.5707 8.5885 8.8471 8.8502 k = 0.0000 0.2703-0.0000 ( 4103 PWs) bands (ev): -35.9057 -35.9057 -17.2019 -17.1951 -16.8467 -16.8445 -16.7928 -16.7875 -7.6996 -7.6988 -7.2089 -7.2056 -2.1268 -2.0933 -2.0772 -1.9583 -1.8215 -1.7700 -1.7181 -1.6961 -1.6202 -1.6086 0.5629 0.6326 1.7354 1.8739 2.7445 2.8313 2.9235 2.9517 3.3992 3.4111 3.7366 3.7381 6.5364 6.5447 7.9810 7.9828 8.5410 8.5664 8.8308 8.8340 k = 0.0000 0.2838-0.0000 ( 4097 PWs) bands (ev): -35.9057 -35.9057 -17.2024 -17.1957 -16.8477 -16.8454 -16.7925 -16.7873 -7.6817 -7.6809 -7.2133 -7.2100 -2.1258 -2.0910 -2.0756 -1.9552 -1.8211 -1.7698 -1.7134 -1.6940 -1.6208 -1.6059 0.5180 0.5845 1.7223 1.8577 2.7155 2.8010 2.9378 2.9657 3.3749 3.3881 3.7302 3.7317 6.5911 6.6001 8.0525 8.0547 8.5055 8.5375 8.8158 8.8190 k = 0.0000 0.2973-0.0000 ( 4107 PWs) bands (ev): -35.9056 -35.9056 -17.2030 -17.1964 -16.8487 -16.8463 -16.7922 -16.7873 -7.6636 -7.6627 -7.2183 -7.2149 -2.1247 -2.0899 -2.0725 -1.9524 -1.8206 -1.7698 -1.7085 -1.6922 -1.6215 -1.6032 0.4719 0.5345 1.7136 1.8448 2.6885 2.7722 2.9541 2.9821 3.3492 3.3640 3.7236 3.7251 6.6456 6.6552 8.1096 8.1163 8.4694 8.5066 8.8020 8.8051 k = 0.0000 0.3108-0.0000 ( 4112 PWs) bands (ev): -35.9055 -35.9055 -17.2035 -17.1971 -16.8497 -16.8473 -16.7919 -16.7872 -7.6452 -7.6442 -7.2238 -7.2204 -2.1235 -2.0898 -2.0681 -1.9501 -1.8197 -1.7698 -1.7034 -1.6905 -1.6224 -1.6006 0.4252 0.4836 1.7085 1.8346 2.6647 2.7465 2.9708 2.9998 3.3222 3.3390 3.7167 3.7182 6.6999 6.7102 8.1507 8.1612 8.4387 8.4791 8.7896 8.7926 k = 0.0000 0.3243-0.0000 ( 4124 PWs) bands (ev): -35.9055 -35.9055 -17.2040 -17.1979 -16.8506 -16.8482 -16.7916 -16.7871 -7.6266 -7.6255 -7.2298 -7.2264 -2.1224 -2.0903 -2.0628 -1.9483 -1.8185 -1.7700 -1.6982 -1.6888 -1.6234 -1.5983 0.3788 0.4326 1.7062 1.8261 2.6450 2.7246 2.9870 3.0183 3.2939 3.3134 3.7095 3.7110 6.7541 6.7649 8.1721 8.1831 8.4211 8.4607 8.7785 8.7814 k = 0.0000 0.3378-0.0000 ( 4116 PWs) bands (ev): -35.9054 -35.9054 -17.2044 -17.1986 -16.8514 -16.8490 -16.7912 -16.7871 -7.6080 -7.6068 -7.2364 -7.2331 -2.1211 -2.0910 -2.0570 -1.9470 -1.8170 -1.7703 -1.6927 -1.6871 -1.6245 -1.5962 0.3334 0.3826 1.7058 1.8188 2.6298 2.7069 3.0023 3.0370 3.2646 3.2877 3.7022 3.7037 6.8081 6.8194 8.1719 8.1785 8.4211 8.4544 8.7688 8.7716 k = 0.0000 0.3514-0.0000 ( 4112 PWs) bands (ev): -35.9053 -35.9053 -17.2048 -17.1992 -16.8522 -16.8499 -16.7909 -16.7870 -7.5893 -7.5881 -7.2436 -7.2403 -2.1198 -2.0919 -2.0508 -1.9463 -1.8152 -1.7707 -1.6870 -1.6854 -1.6256 -1.5945 0.2895 0.3340 1.7068 1.8121 2.6196 2.6937 3.0158 3.0556 3.2343 3.2624 3.6947 3.6962 6.8618 6.8735 8.1536 8.1537 8.4333 8.4582 8.7605 8.7630 k = 0.0000 0.3649-0.0000 ( 4108 PWs) bands (ev): -35.9053 -35.9053 -17.2051 -17.1999 -16.8529 -16.8507 -16.7905 -16.7870 -7.5708 -7.5694 -7.2513 -7.2480 -2.1185 -2.0929 -2.0443 -1.9462 -1.8132 -1.7712 -1.6836 -1.6813 -1.6269 -1.5932 0.2478 0.2877 1.7086 1.8055 2.6143 2.6850 3.0264 3.0738 3.2032 3.2385 3.6872 3.6887 6.9150 6.9270 8.1181 8.1236 8.4492 8.4667 8.7534 8.7557 k = 0.0000 0.3784-0.0000 ( 4110 PWs) bands (ev): -35.9052 -35.9052 -17.2053 -17.2006 -16.8535 -16.8514 -16.7902 -16.7870 -7.5524 -7.5510 -7.2596 -7.2564 -2.1172 -2.0940 -2.0377 -1.9468 -1.8109 -1.7719 -1.6817 -1.6756 -1.6282 -1.5924 0.2087 0.2441 1.7109 1.7989 2.6140 2.6808 3.0328 3.0912 3.1718 3.2174 3.6797 3.6811 6.9674 6.9797 8.0779 8.0873 8.4637 8.4756 8.7476 8.7496 k = 0.0000 0.3919-0.0000 ( 4110 PWs) bands (ev): -35.9052 -35.9052 -17.2056 -17.2013 -16.8541 -16.8522 -16.7899 -16.7870 -7.5344 -7.5329 -7.2683 -7.2652 -2.1159 -2.0951 -2.0309 -1.9480 -1.8084 -1.7728 -1.6798 -1.6701 -1.6295 -1.5922 0.1728 0.2038 1.7134 1.7921 2.6184 2.6809 3.0331 3.1060 3.1418 3.2011 3.6723 3.6737 7.0187 7.0311 8.0364 8.0482 8.4747 8.4825 8.7428 8.7447 k = 0.0000 0.4054-0.0000 ( 4112 PWs) bands (ev): -35.9051 -35.9051 -17.2057 -17.2019 -16.8546 -16.8528 -16.7896 -16.7870 -7.5168 -7.5153 -7.2775 -7.2745 -2.1145 -2.0962 -2.0240 -1.9498 -1.8057 -1.7739 -1.6776 -1.6649 -1.6304 -1.5926 0.1404 0.1671 1.7160 1.7851 2.6270 2.6850 3.0260 3.1004 3.1310 3.1909 3.6652 3.6665 7.0685 7.0809 7.9954 8.0085 8.4817 8.4866 8.7391 8.7407 k = 0.0000 0.4189-0.0000 ( 4120 PWs) bands (ev): -35.9051 -35.9051 -17.2059 -17.2025 -16.8550 -16.8535 -16.7893 -16.7871 -7.4999 -7.4982 -7.2871 -7.2842 -2.1131 -2.0974 -2.0171 -1.9523 -1.8029 -1.7752 -1.6755 -1.6605 -1.6309 -1.5936 0.1118 0.1344 1.7186 1.7779 2.6395 2.6927 3.0118 3.0711 3.1429 3.1867 3.6585 3.6597 7.1161 7.1282 7.9558 7.9695 8.4851 8.4881 8.7362 8.7376 k = 0.0000 0.4324-0.0000 ( 4116 PWs) bands (ev): -35.9051 -35.9051 -17.2059 -17.2031 -16.8553 -16.8540 -16.7890 -16.7872 -7.4837 -7.4821 -7.2967 -7.2941 -2.1118 -2.0986 -2.0102 -1.9553 -1.8001 -1.7766 -1.6731 -1.6572 -1.6302 -1.5951 0.0874 0.1060 1.7213 1.7707 2.6552 2.7031 2.9926 3.0400 3.1556 3.1867 3.6524 3.6535 7.1608 7.1723 7.9189 7.9322 8.4857 8.4873 8.7341 8.7353 k = 0.0000 0.4459-0.0000 ( 4118 PWs) bands (ev): -35.9050 -35.9050 -17.2059 -17.2036 -16.8555 -16.8545 -16.7888 -16.7873 -7.4688 -7.4672 -7.3063 -7.3039 -2.1104 -2.0998 -2.0034 -1.9589 -1.7973 -1.7783 -1.6706 -1.6555 -1.6283 -1.5974 0.0674 0.0821 1.7242 1.7637 2.6732 2.7153 2.9711 3.0098 3.1671 3.1890 3.6471 3.6480 7.2014 7.2120 7.8855 7.8978 8.4844 8.4852 8.7327 8.7337 k = 0.0000 0.4595-0.0000 ( 4110 PWs) bands (ev): -35.9050 -35.9050 -17.2058 -17.2040 -16.8556 -16.8548 -16.7885 -16.7874 -7.4554 -7.4540 -7.3152 -7.3132 -2.1090 -2.1011 -1.9967 -1.9629 -1.7945 -1.7801 -1.6681 -1.6554 -1.6249 -1.6002 0.0520 0.0630 1.7274 1.7570 2.6924 2.7277 2.9503 2.9815 3.1768 3.1917 3.6428 3.6435 7.2366 7.2455 7.8572 7.8677 8.4821 8.4825 8.7318 8.7325 k = 0.0000 0.4730-0.0000 ( 4114 PWs) bands (ev): -35.9050 -35.9050 -17.2056 -17.2045 -16.8557 -16.8552 -16.7883 -16.7875 -7.4445 -7.4433 -7.3228 -7.3213 -2.1077 -2.1024 -1.9902 -1.9676 -1.7918 -1.7821 -1.6655 -1.6565 -1.6207 -1.6036 0.0414 0.0487 1.7310 1.7506 2.7115 2.7379 2.9333 2.9564 3.1844 3.1938 3.6395 3.6400 7.2646 7.2712 7.8357 7.8433 8.4799 8.4800 8.7313 8.7318 k = 0.0000 0.4865-0.0000 ( 4122 PWs) bands (ev): -35.9050 -35.9050 -17.2054 -17.2049 -16.8557 -16.8554 -16.7881 -16.7877 -7.4369 -7.4363 -7.3280 -7.3271 -2.1063 -2.1037 -1.9841 -1.9727 -1.7892 -1.7843 -1.6630 -1.6583 -1.6163 -1.6075 0.0357 0.0393 1.7350 1.7449 2.7281 2.7427 2.9239 2.9367 3.1899 3.1944 3.6376 3.6379 7.2834 7.2869 7.8226 7.8267 8.4782 8.4782 8.7310 8.7313 k = 0.0000 0.5000-0.0000 ( 4122 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3296 -7.3296 -2.1050 -2.1050 -1.9782 -1.9782 -1.7867 -1.7867 -1.6605 -1.6605 -1.6118 -1.6118 0.0350 0.0350 1.7397 1.7397 2.7394 2.7394 2.9250 2.9250 3.1932 3.1932 3.6370 3.6370 7.2911 7.2911 7.8195 7.8195 8.4776 8.4776 8.7310 8.7310 k = 0.0000 0.5000-0.0000 ( 4122 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3296 -7.3296 -2.1050 -2.1050 -1.9782 -1.9782 -1.7867 -1.7867 -1.6605 -1.6605 -1.6118 -1.6118 0.0350 0.0350 1.7397 1.7397 2.7394 2.7394 2.9250 2.9250 3.1932 3.1932 3.6370 3.6370 7.2911 7.2911 7.8195 7.8195 8.4776 8.4776 8.7310 8.7310 k = 0.0135 0.5000-0.0000 ( 4114 PWs) bands (ev): -35.9050 -35.9050 -17.2054 -17.2049 -16.8558 -16.8555 -16.7883 -16.7875 -7.4336 -7.4336 -7.3294 -7.3293 -2.1070 -2.1027 -1.9804 -1.9760 -1.7877 -1.7853 -1.6622 -1.6589 -1.6117 -1.6117 0.0338 0.0361 1.7386 1.7418 2.7351 2.7432 2.9195 2.9292 3.1848 3.1932 3.6341 3.6376 7.2938 7.2991 7.8168 7.8169 8.4722 8.4770 8.7295 8.7301 k = 0.0270 0.5000-0.0000 ( 4110 PWs) bands (ev): -35.9050 -35.9050 -17.2057 -17.2047 -16.8560 -16.8555 -16.7887 -16.7870 -7.4325 -7.4324 -7.3289 -7.3285 -2.1088 -2.1002 -1.9826 -1.9739 -1.7885 -1.7836 -1.6641 -1.6576 -1.6115 -1.6115 0.0324 0.0370 1.7387 1.7451 2.7302 2.7466 2.9122 2.9322 3.1677 3.1852 3.6286 3.6358 7.3067 7.3174 7.8087 7.8090 8.4615 8.4709 8.7254 8.7264 k = 0.0405 0.5000-0.0000 ( 4114 PWs) bands (ev): -35.9050 -35.9050 -17.2061 -17.2046 -16.8563 -16.8555 -16.7891 -16.7867 -7.4306 -7.4305 -7.3279 -7.3274 -2.1103 -2.0976 -1.9849 -1.9719 -1.7891 -1.7818 -1.6662 -1.6563 -1.6112 -1.6112 0.0309 0.0377 1.7399 1.7495 2.7245 2.7496 2.9026 2.9344 3.1422 3.1707 3.6208 3.6316 7.3285 7.3445 7.7957 7.7960 8.4469 8.4604 8.7189 8.7197 k = 0.0541 0.5000-0.0000 ( 4112 PWs) bands (ev): -35.9049 -35.9049 -17.2065 -17.2045 -16.8566 -16.8557 -16.7895 -16.7863 -7.4280 -7.4279 -7.3265 -7.3258 -2.1116 -2.0947 -1.9872 -1.9700 -1.7893 -1.7796 -1.6684 -1.6553 -1.6108 -1.6108 0.0291 0.0382 1.7422 1.7550 2.7178 2.7522 2.8900 2.9358 3.1087 3.1511 3.6108 3.6254 7.3568 7.3781 7.7780 7.7784 8.4306 8.4477 8.7100 8.7101 k = 0.0676 0.5000-0.0000 ( 4116 PWs) bands (ev): -35.9049 -35.9049 -17.2069 -17.2044 -16.8571 -16.8559 -16.7900 -16.7860 -7.4246 -7.4245 -7.3247 -7.3238 -2.1127 -2.0916 -1.9895 -1.9681 -1.7894 -1.7772 -1.6707 -1.6544 -1.6103 -1.6103 0.0270 0.0384 1.7455 1.7616 2.7095 2.7543 2.8737 2.9365 3.0683 3.1285 3.5987 3.6172 7.3885 7.4147 7.7562 7.7566 8.4153 8.4351 8.6982 8.6994 k = 0.0811 0.5000-0.0000 ( 4116 PWs) bands (ev): -35.9049 -35.9049 -17.2073 -17.2044 -16.8575 -16.8561 -16.7903 -16.7857 -7.4205 -7.4204 -7.3225 -7.3215 -2.1135 -2.0883 -1.9918 -1.9663 -1.7891 -1.7745 -1.6732 -1.6536 -1.6098 -1.6097 0.0244 0.0382 1.7498 1.7692 2.6989 2.7558 2.8531 2.9366 3.0219 3.1052 3.5848 3.6074 7.4193 7.4498 7.7309 7.7313 8.4036 8.4249 8.6857 8.6888 k = 0.0946 0.5000-0.0000 ( 4116 PWs) bands (ev): -35.9048 -35.9048 -17.2078 -17.2044 -16.8580 -16.8565 -16.7907 -16.7854 -7.4158 -7.4156 -7.3199 -7.3187 -2.1140 -2.0847 -1.9942 -1.9646 -1.7886 -1.7715 -1.6757 -1.6530 -1.6091 -1.6090 0.0213 0.0375 1.7550 1.7778 2.6850 2.7564 2.8285 2.9361 2.9709 3.0830 3.5693 3.5962 7.4446 7.4786 7.7028 7.7032 8.3971 8.4180 8.6758 8.6819 k = 0.1081 0.5000-0.0000 ( 4120 PWs) bands (ev): -35.9048 -35.9048 -17.2083 -17.2045 -16.8586 -16.8569 -16.7911 -16.7851 -7.4104 -7.4102 -7.3169 -7.3157 -2.1142 -2.0810 -1.9965 -1.9630 -1.7879 -1.7683 -1.6784 -1.6524 -1.6084 -1.6082 0.0175 0.0362 1.7612 1.7874 2.6660 2.7557 2.8014 2.9166 2.9350 3.0633 3.5527 3.5840 7.4602 7.4960 7.6725 7.6728 8.3941 8.4124 8.6751 8.6848 k = 0.1216 0.5000-0.0000 ( 4128 PWs) bands (ev): -35.9048 -35.9048 -17.2088 -17.2046 -16.8592 -16.8574 -16.7914 -16.7849 -7.4043 -7.4042 -7.3136 -7.3122 -2.1143 -2.0772 -1.9988 -1.9614 -1.7870 -1.7649 -1.6810 -1.6519 -1.6076 -1.6074 0.0129 0.0340 1.7682 1.7978 2.6399 2.7525 2.7744 2.8617 2.9332 3.0464 3.5351 3.5709 7.4628 7.4989 7.6406 7.6407 8.3885 8.4026 8.6927 8.7060 k = 0.1351 0.5000-0.0000 ( 4128 PWs) bands (ev): -35.9047 -35.9047 -17.2093 -17.2048 -16.8598 -16.8580 -16.7917 -16.7847 -7.3977 -7.3975 -7.3100 -7.3085 -2.1140 -2.0731 -2.0011 -1.9599 -1.7858 -1.7613 -1.6838 -1.6515 -1.6068 -1.6066 0.0073 0.0309 1.7760 1.8090 2.6055 2.7422 2.7500 2.8114 2.9306 3.0321 3.5170 3.5575 7.4515 7.4863 7.6076 7.6077 8.3732 8.3835 8.7368 8.7517 k = 0.1486 0.5000-0.0000 ( 4124 PWs) bands (ev): -35.9046 -35.9046 -17.2098 -17.2050 -16.8605 -16.8586 -16.7919 -16.7845 -7.3906 -7.3904 -7.3061 -7.3044 -2.1135 -2.0688 -2.0034 -1.9585 -1.7843 -1.7573 -1.6865 -1.6510 -1.6059 -1.6057 0.0005 0.0265 1.7844 1.8210 2.5638 2.7118 2.7289 2.7797 2.9272 3.0197 3.4988 3.5439 7.4271 7.4597 7.5740 7.5744 8.3456 8.3536 8.8083 8.8223 k = 0.1622 0.5000-0.0000 ( 4132 PWs) bands (ev): -35.9046 -35.9046 -17.2104 -17.2052 -16.8612 -16.8594 -16.7921 -16.7844 -7.3829 -7.3827 -7.3019 -7.3002 -2.1127 -2.0644 -2.0057 -1.9572 -1.7827 -1.7533 -1.6892 -1.6506 -1.6050 -1.6048 -0.0076 0.0208 1.7935 1.8335 2.5171 2.6620 2.7102 2.7671 2.9230 3.0086 3.4807 3.5305 7.3916 7.4215 7.5405 7.5411 8.3078 8.3149 8.9025 8.9138 k = 0.1757 0.5000-0.0000 ( 4120 PWs) bands (ev): -35.9045 -35.9045 -17.2109 -17.2055 -16.8619 -16.8601 -16.7922 -16.7842 -7.3748 -7.3746 -7.2974 -7.2956 -2.1115 -2.0598 -2.0079 -1.9559 -1.7809 -1.7490 -1.6919 -1.6501 -1.6040 -1.6039 -0.0172 0.0136 1.8030 1.8466 2.4681 2.6072 2.6927 2.7596 2.9178 2.9983 3.4633 3.5175 7.3474 7.3746 7.5075 7.5084 8.2627 8.2695 9.0134 9.0211 k = 0.1892 0.5000-0.0000 ( 4120 PWs) bands (ev): -35.9045 -35.9044 -17.2115 -17.2058 -16.8627 -16.8609 -16.7923 -16.7841 -7.3663 -7.3661 -7.2928 -7.2909 -2.1102 -2.0550 -2.0101 -1.9548 -1.7789 -1.7445 -1.6944 -1.6495 -1.6030 -1.6030 -0.0284 0.0045 1.8129 1.8599 2.4188 2.5529 2.6756 2.7527 2.9115 2.9883 3.4467 3.5051 7.2968 7.3215 7.4755 7.4766 8.2126 8.2194 9.1356 9.1394 k = 0.2027 0.5000-0.0000 ( 4122 PWs) bands (ev): -35.9044 -35.9044 -17.2120 -17.2062 -16.8635 -16.8617 -16.7924 -16.7841 -7.3575 -7.3572 -7.2880 -7.2861 -2.1086 -2.0501 -2.0122 -1.9536 -1.7768 -1.7400 -1.6969 -1.6488 -1.6022 -1.6020 -0.0414 -0.0064 1.8231 1.8734 2.3709 2.5009 2.6585 2.7452 2.9041 2.9783 3.4312 3.4934 7.2419 7.2643 7.4449 7.4462 8.1589 8.1659 9.2643 9.2645 k = 0.2162 0.5000-0.0000 ( 4114 PWs) bands (ev): -35.9043 -35.9043 -17.2125 -17.2066 -16.8643 -16.8626 -16.7924 -16.7840 -7.3483 -7.3481 -7.2830 -7.2810 -2.1068 -2.0450 -2.0143 -1.9526 -1.7745 -1.7354 -1.6990 -1.6479 -1.6013 -1.6009 -0.0564 -0.0194 1.8335 1.8869 2.3257 2.4523 2.6412 2.7368 2.8955 2.9679 3.4170 3.4826 7.1843 7.2046 7.4160 7.4174 8.1028 8.1101 9.3855 9.3910 k = 0.2297 0.5000-0.0000 ( 4114 PWs) bands (ev): -35.9042 -35.9042 -17.2131 -17.2070 -16.8651 -16.8635 -16.7924 -16.7840 -7.3390 -7.3387 -7.2779 -7.2759 -2.1047 -2.0398 -2.0164 -1.9516 -1.7722 -1.7311 -1.7008 -1.6469 -1.6006 -1.5998 -0.0732 -0.0346 1.8438 1.9000 2.2843 2.4077 2.6235 2.7274 2.8855 2.9569 3.4042 3.4726 7.1253 7.1438 7.3890 7.3906 8.0453 8.0528 9.4158 9.4175 k = 0.2432 0.5000-0.0000 ( 4120 PWs) bands (ev): -35.9042 -35.9042 -17.2136 -17.2075 -16.8659 -16.8645 -16.7923 -16.7840 -7.3295 -7.3292 -7.2728 -7.2708 -2.1024 -2.0346 -2.0184 -1.9506 -1.7698 -1.7271 -1.7019 -1.6457 -1.5998 -1.5988 -0.0920 -0.0520 1.8542 1.9126 2.2474 2.3677 2.6058 2.7170 2.8742 2.9451 3.3930 3.4634 7.0661 7.0830 7.3643 7.3659 7.9869 7.9946 9.4321 9.4336 k = 0.2568 0.5000-0.0000 ( 4112 PWs) bands (ev): -35.9041 -35.9041 -17.2141 -17.2080 -16.8667 -16.8654 -16.7922 -16.7840 -7.3199 -7.3196 -7.2676 -7.2656 -2.1000 -2.0292 -2.0202 -1.9497 -1.7673 -1.7241 -1.7017 -1.6442 -1.5991 -1.5977 -0.1127 -0.0717 1.8643 1.9242 2.2157 2.3325 2.5880 2.7058 2.8615 2.9324 3.3832 3.4551 7.0075 7.0229 7.3419 7.3436 7.9284 7.9362 9.4478 9.4493 k = 0.2703 0.5000-0.0000 ( 4100 PWs) bands (ev): -35.9040 -35.9040 -17.2146 -17.2085 -16.8675 -16.8663 -16.7920 -16.7840 -7.3103 -7.3100 -7.2624 -7.2604 -2.0973 -2.0244 -2.0214 -1.9488 -1.7648 -1.7224 -1.6999 -1.6424 -1.5985 -1.5965 -0.1352 -0.0935 1.8740 1.9347 2.1897 2.3024 2.5706 2.6939 2.8474 2.9185 3.3748 3.4474 6.9503 6.9643 7.3221 7.3238 7.8701 7.8780 9.4632 9.4647 k = 0.2838 0.5000-0.0000 ( 4106 PWs) bands (ev): -35.9039 -35.9039 -17.2151 -17.2091 -16.8683 -16.8673 -16.7918 -16.7840 -7.3007 -7.3005 -7.2573 -7.2553 -2.0946 -2.0246 -2.0176 -1.9479 -1.7623 -1.7223 -1.6964 -1.6404 -1.5980 -1.5954 -0.1593 -0.1172 1.8834 1.9436 2.1697 2.2776 2.5539 2.6816 2.8318 2.9034 3.3678 3.4403 6.8950 6.9077 7.3049 7.3066 7.8126 7.8205 9.4782 9.4798 k = 0.2973 0.5000-0.0000 ( 4102 PWs) bands (ev): -35.9039 -35.9039 -17.2155 -17.2097 -16.8691 -16.8682 -16.7916 -16.7841 -7.2913 -7.2910 -7.2522 -7.2503 -2.0916 -2.0263 -2.0122 -1.9471 -1.7599 -1.7230 -1.6916 -1.6380 -1.5975 -1.5944 -0.1848 -0.1428 1.8923 1.9509 2.1556 2.2579 2.5381 2.6690 2.8147 2.8870 3.3619 3.4337 6.8421 6.8536 7.2904 7.2920 7.7563 7.7641 9.4928 9.4945 k = 0.3108 0.5000-0.0000 ( 4110 PWs) bands (ev): -35.9038 -35.9038 -17.2160 -17.2103 -16.8699 -16.8691 -16.7914 -16.7842 -7.2820 -7.2818 -7.2473 -7.2454 -2.0887 -2.0281 -2.0067 -1.9464 -1.7576 -1.7243 -1.6861 -1.6353 -1.5971 -1.5933 -0.2113 -0.1699 1.9005 1.9566 2.1472 2.2434 2.5237 2.6565 2.7961 2.8692 3.3570 3.4275 6.7919 6.8024 7.2784 7.2801 7.7015 7.7092 9.5070 9.5087 k = 0.3243 0.5000-0.0000 ( 4104 PWs) bands (ev): -35.9037 -35.9037 -17.2163 -17.2108 -16.8706 -16.8700 -16.7911 -16.7843 -7.2730 -7.2728 -7.2425 -7.2407 -2.0857 -2.0298 -2.0012 -1.9457 -1.7554 -1.7258 -1.6801 -1.6322 -1.5969 -1.5922 -0.2387 -0.1981 1.9082 1.9610 2.1438 2.2339 2.5110 2.6442 2.7762 2.8501 3.3530 3.4216 6.7449 6.7543 7.2691 7.2707 7.6487 7.6561 9.5206 9.5224 k = 0.3378 0.5000-0.0000 ( 4098 PWs) bands (ev): -35.9037 -35.9037 -17.2167 -17.2114 -16.8713 -16.8708 -16.7908 -16.7844 -7.2643 -7.2642 -7.2379 -7.2362 -2.0826 -2.0315 -1.9958 -1.9450 -1.7533 -1.7273 -1.6738 -1.6288 -1.5967 -1.5911 -0.2663 -0.2271 1.9152 1.9645 2.1446 2.2290 2.5003 2.6323 2.7548 2.8296 3.3498 3.4158 6.7012 6.7097 7.2621 7.2637 7.5981 7.6052 9.5337 9.5355 k = 0.3514 0.5000-0.0000 ( 4102 PWs) bands (ev): -35.9036 -35.9036 -17.2170 -17.2120 -16.8720 -16.8716 -16.7905 -16.7845 -7.2561 -7.2559 -7.2335 -7.2319 -2.0796 -2.0332 -1.9905 -1.9444 -1.7514 -1.7288 -1.6674 -1.6251 -1.5966 -1.5901 -0.2939 -0.2564 1.9217 1.9674 2.1488 2.2284 2.4917 2.6209 2.7323 2.8077 3.3472 3.4101 6.6610 6.6686 7.2575 7.2590 7.5501 7.5569 9.5461 9.5479 k = 0.3649 0.5000-0.0000 ( 4102 PWs) bands (ev): -35.9036 -35.9036 -17.2172 -17.2126 -16.8726 -16.8723 -16.7902 -16.7846 -7.2483 -7.2481 -7.2293 -7.2279 -2.0766 -2.0349 -1.9853 -1.9439 -1.7497 -1.7303 -1.6609 -1.6212 -1.5967 -1.5891 -0.3210 -0.2855 1.9275 1.9701 2.1558 2.2318 2.4856 2.6101 2.7086 2.7845 3.3453 3.4045 6.6244 6.6311 7.2549 7.2563 7.5050 7.5114 9.5578 9.5596 k = 0.3784 0.5000-0.0000 ( 4102 PWs) bands (ev): -35.9035 -35.9035 -17.2175 -17.2132 -16.8733 -16.8730 -16.7899 -16.7848 -7.2410 -7.2409 -7.2255 -7.2241 -2.0737 -2.0366 -1.9803 -1.9434 -1.7482 -1.7317 -1.6545 -1.6171 -1.5968 -1.5882 -0.3471 -0.3140 1.9327 1.9724 2.1652 2.2387 2.4818 2.6000 2.6839 2.7602 3.3438 3.3989 6.5915 6.5974 7.2541 7.2555 7.4631 7.4691 9.5687 9.5705 k = 0.3919 0.5000-0.0000 ( 4100 PWs) bands (ev): -35.9035 -35.9035 -17.2176 -17.2138 -16.8738 -16.8736 -16.7895 -16.7850 -7.2343 -7.2342 -7.2219 -7.2207 -2.0708 -2.0382 -1.9756 -1.9432 -1.7467 -1.7329 -1.6481 -1.6129 -1.5972 -1.5873 -0.3718 -0.3414 1.9374 1.9743 2.1768 2.2485 2.4802 2.5905 2.6587 2.7349 3.3429 3.3933 6.5623 6.5675 7.2548 7.2561 7.4247 7.4302 9.5788 9.5805 k = 0.4054 0.5000-0.0000 ( 4088 PWs) bands (ev): -35.9034 -35.9034 -17.2177 -17.2143 -16.8743 -16.8741 -16.7892 -16.7851 -7.2283 -7.2282 -7.2187 -7.2176 -2.0680 -2.0398 -1.9711 -1.9430 -1.7455 -1.7341 -1.6418 -1.6087 -1.5977 -1.5865 -0.3946 -0.3672 1.9417 1.9756 2.1906 2.2608 2.4808 2.5816 2.6332 2.7089 3.3425 3.3877 6.5368 6.5413 7.2566 7.2578 7.3900 7.3950 9.5880 9.5895 k = 0.4189 0.5000-0.0000 ( 4088 PWs) bands (ev): -35.9034 -35.9034 -17.2178 -17.2148 -16.8747 -16.8746 -16.7888 -16.7854 -7.2229 -7.2229 -7.2158 -7.2149 -2.0654 -2.0415 -1.9669 -1.9430 -1.7444 -1.7351 -1.6359 -1.6046 -1.5983 -1.5858 -0.4151 -0.3910 1.9457 1.9761 2.2063 2.2748 2.4832 2.5733 2.6079 2.6823 3.3425 3.3822 6.5150 6.5187 7.2592 7.2603 7.3595 7.3639 9.5961 9.5976 k = 0.4324 0.5000-0.0000 ( 4088 PWs) bands (ev): -35.9033 -35.9033 -17.2178 -17.2153 -16.8751 -16.8750 -16.7885 -16.7856 -7.2184 -7.2183 -7.2133 -7.2126 -2.0629 -2.0431 -1.9630 -1.9433 -1.7434 -1.7361 -1.6303 -1.6014 -1.5986 -1.5853 -0.4328 -0.4123 1.9493 1.9758 2.2239 2.2894 2.4871 2.5654 2.5839 2.6558 3.3431 3.3768 6.4967 6.4998 7.2621 7.2631 7.3332 7.3371 9.6032 9.6045 k = 0.4459 0.5000-0.0000 ( 4084 PWs) bands (ev): -35.9033 -35.9033 -17.2178 -17.2157 -16.8754 -16.8754 -16.7882 -16.7858 -7.2146 -7.2145 -7.2112 -7.2107 -2.0604 -2.0448 -1.9594 -1.9438 -1.7426 -1.7369 -1.6251 -1.6012 -1.5964 -1.5849 -0.4475 -0.4308 1.9527 1.9748 2.2428 2.3034 2.4921 2.5571 2.5628 2.6296 3.3442 3.3717 6.4820 6.4845 7.2651 7.2660 7.3115 7.3148 9.6091 9.6102 k = 0.4595 0.5000-0.0000 ( 4080 PWs) bands (ev): -35.9033 -35.9033 -17.2177 -17.2161 -16.8756 -16.8756 -16.7878 -16.7861 -7.2117 -7.2115 -7.2095 -7.2092 -2.0581 -2.0464 -1.9562 -1.9446 -1.7418 -1.7377 -1.6204 -1.6025 -1.5934 -1.5849 -0.4587 -0.4460 1.9560 1.9730 2.2624 2.3148 2.4978 2.5423 2.5528 2.6047 3.3459 3.3667 6.4707 6.4726 7.2676 7.2685 7.2947 7.2973 9.6139 9.6147 k = 0.4730 0.5000-0.0000 ( 4088 PWs) bands (ev): -35.9033 -35.9033 -17.2176 -17.2165 -16.8758 -16.8758 -16.7875 -16.7864 -7.2097 -7.2095 -7.2081 -7.2081 -2.0560 -2.0482 -1.9534 -1.9457 -1.7411 -1.7385 -1.6162 -1.6044 -1.5908 -1.5852 -0.4663 -0.4577 1.9592 1.9708 2.2817 2.3214 2.5039 2.5291 2.5477 2.5821 3.3481 3.3621 6.4628 6.4640 7.2692 7.2699 7.2831 7.2850 9.6174 9.6179 k = 0.4865 0.5000-0.0000 ( 4084 PWs) bands (ev): -35.9033 -35.9033 -17.2174 -17.2168 -16.8759 -16.8759 -16.7872 -16.7866 -7.2086 -7.2084 -7.2073 -7.2072 -2.0539 -2.0500 -1.9509 -1.9471 -1.7404 -1.7391 -1.6125 -1.6066 -1.5887 -1.5859 -0.4700 -0.4657 1.9623 1.9682 2.2993 2.3209 2.5100 2.5210 2.5461 2.5635 3.3508 3.3579 6.4582 6.4588 7.2692 7.2696 7.2776 7.2786 9.6195 9.6205 k = 0.5000 0.5000-0.0000 ( 4080 PWs) bands (ev): -35.9033 -35.9033 -17.2171 -17.2171 -16.8760 -16.8760 -16.7869 -16.7869 -7.2081 -7.2081 -7.2069 -7.2069 -2.0519 -2.0519 -1.9488 -1.9488 -1.7398 -1.7398 -1.6093 -1.6093 -1.5870 -1.5870 -0.4699 -0.4699 1.9653 1.9653 2.3131 2.3131 2.5155 2.5155 2.5509 2.5509 3.3541 3.3541 6.4569 6.4569 7.2686 7.2686 7.2768 7.2768 9.6200 9.6200 k = 0.5000 0.5000-0.0000 ( 4080 PWs) bands (ev): -35.9033 -35.9033 -17.2171 -17.2171 -16.8760 -16.8760 -16.7869 -16.7869 -7.2081 -7.2081 -7.2069 -7.2069 -2.0519 -2.0519 -1.9488 -1.9488 -1.7398 -1.7398 -1.6093 -1.6093 -1.5870 -1.5870 -0.4699 -0.4699 1.9653 1.9653 2.3131 2.3131 2.5155 2.5155 2.5509 2.5509 3.3541 3.3541 6.4569 6.4569 7.2686 7.2686 7.2768 7.2768 9.6200 9.6200 k = 0.4906 0.4906-0.0000 ( 4084 PWs) bands (ev): -35.9033 -35.9033 -17.2174 -17.2169 -16.8759 -16.8759 -16.7872 -16.7866 -7.2086 -7.2085 -7.2072 -7.2071 -2.0539 -2.0501 -1.9509 -1.9471 -1.7404 -1.7391 -1.6125 -1.6067 -1.5886 -1.5859 -0.4701 -0.4658 1.9623 1.9681 2.2995 2.3208 2.5111 2.5199 2.5456 2.5637 3.3509 3.3578 6.4582 6.4588 7.2695 7.2697 7.2773 7.2782 9.6205 9.6215 k = 0.4811 0.4811-0.0000 ( 4088 PWs) bands (ev): -35.9033 -35.9033 -17.2176 -17.2165 -16.8758 -16.8758 -16.7875 -16.7864 -7.2104 -7.2103 -7.2075 -7.2071 -2.0559 -2.0483 -1.9533 -1.9457 -1.7411 -1.7385 -1.6162 -1.6044 -1.5906 -1.5854 -0.4664 -0.4580 1.9592 1.9708 2.2823 2.3208 2.5113 2.5222 2.5451 2.5840 3.3481 3.3620 6.4627 6.4639 7.2721 7.2723 7.2801 7.2822 9.6230 9.6249 k = 0.4717 0.4717-0.0000 ( 4084 PWs) bands (ev): -35.9033 -35.9033 -17.2177 -17.2161 -16.8756 -16.8756 -16.7878 -16.7861 -7.2137 -7.2136 -7.2075 -7.2069 -2.0579 -2.0466 -1.9561 -1.9447 -1.7417 -1.7378 -1.6205 -1.6027 -1.5927 -1.5854 -0.4589 -0.4464 1.9561 1.9733 2.2632 2.3129 2.5174 2.5230 2.5482 2.6093 3.3459 3.3667 6.4704 6.4722 7.2758 7.2760 7.2859 7.2891 9.6272 9.6302 k = 0.4623 0.4623-0.0000 ( 4080 PWs) bands (ev): -35.9033 -35.9033 -17.2178 -17.2157 -16.8754 -16.8754 -16.7881 -16.7858 -7.2183 -7.2182 -7.2075 -7.2066 -2.0601 -2.0451 -1.9591 -1.9440 -1.7424 -1.7371 -1.6254 -1.6014 -1.5948 -1.5858 -0.4477 -0.4312 1.9528 1.9756 2.2435 2.2989 2.5232 2.5261 2.5563 2.6377 3.3441 3.3718 6.4813 6.4837 7.2803 7.2805 7.2948 7.2991 9.6330 9.6348 k = 0.4528 0.4528-0.0000 ( 4086 PWs) bands (ev): -35.9033 -35.9033 -17.2178 -17.2153 -16.8751 -16.8751 -16.7885 -16.7856 -7.2243 -7.2241 -7.2074 -7.2063 -2.0623 -2.0438 -1.9625 -1.9436 -1.7432 -1.7364 -1.6310 -1.6011 -1.5969 -1.5863 -0.4328 -0.4124 1.9495 1.9776 2.2237 2.2814 2.5231 2.5327 2.5719 2.6680 3.3429 3.3773 6.4955 6.4986 7.2857 7.2860 7.3068 7.3120 9.6397 9.6407 k = 0.4434 0.4434-0.0000 ( 4086 PWs) bands (ev): -35.9034 -35.9034 -17.2178 -17.2148 -16.8747 -16.8747 -16.7888 -16.7854 -7.2315 -7.2314 -7.2072 -7.2059 -2.0645 -2.0427 -1.9661 -1.9435 -1.7440 -1.7356 -1.6372 -1.6018 -1.5988 -1.5866 -0.4145 -0.3904 1.9461 1.9793 2.2046 2.2619 2.5228 2.5368 2.5935 2.6997 3.3422 3.3833 6.5132 6.5169 7.2921 7.2926 7.3217 7.3277 9.6476 9.6492 k = 0.4340 0.4340-0.0000 ( 4096 PWs) bands (ev): -35.9034 -35.9034 -17.2178 -17.2143 -16.8743 -16.8742 -16.7892 -16.7852 -7.2400 -7.2398 -7.2069 -7.2055 -2.0667 -2.0418 -1.9700 -1.9437 -1.7450 -1.7348 -1.6438 -1.6038 -1.6005 -1.5865 -0.3927 -0.3652 1.9427 1.9807 2.1865 2.2419 2.5226 2.5396 2.6186 2.7323 3.3420 3.3896 6.5343 6.5387 7.2998 7.3004 7.3391 7.3459 9.6559 9.6591 k = 0.4245 0.4245-0.0000 ( 4090 PWs) bands (ev): -35.9034 -35.9034 -17.2177 -17.2137 -16.8737 -16.8737 -16.7895 -16.7850 -7.2496 -7.2494 -7.2067 -7.2050 -2.0689 -2.0411 -1.9741 -1.9440 -1.7461 -1.7339 -1.6506 -1.6069 -1.6020 -1.5860 -0.3678 -0.3370 1.9393 1.9818 2.1696 2.2221 2.5223 2.5419 2.6458 2.7656 3.3423 3.3963 6.5590 6.5641 7.3088 7.3096 7.3589 7.3664 9.6640 9.6720 k = 0.4151 0.4151-0.0000 ( 4082 PWs) bands (ev): -35.9035 -35.9035 -17.2175 -17.2130 -16.8731 -16.8731 -16.7898 -16.7848 -7.2605 -7.2602 -7.2063 -7.2044 -2.0712 -2.0406 -1.9784 -1.9445 -1.7475 -1.7329 -1.6576 -1.6109 -1.6033 -1.5852 -0.3400 -0.3059 1.9358 1.9825 2.1544 2.2031 2.5222 2.5440 2.6742 2.7993 3.3431 3.4034 6.5873 6.5932 7.3192 7.3202 7.3809 7.3890 9.6713 9.6802 k = 0.4057 0.4057-0.0000 ( 4082 PWs) bands (ev): -35.9035 -35.9035 -17.2173 -17.2124 -16.8724 -16.8724 -16.7902 -16.7846 -7.2724 -7.2721 -7.2059 -7.2039 -2.0734 -2.0405 -1.9829 -1.9452 -1.7491 -1.7319 -1.6646 -1.6156 -1.6045 -1.5844 -0.3093 -0.2722 1.9323 1.9827 2.1408 2.1851 2.5221 2.5461 2.7035 2.8333 3.3444 3.4108 6.6194 6.6259 7.3309 7.3322 7.4049 7.4135 9.6774 9.6871 k = 0.3962 0.3962-0.0000 ( 4086 PWs) bands (ev): -35.9036 -35.9036 -17.2170 -17.2117 -16.8717 -16.8717 -16.7906 -16.7845 -7.2853 -7.2851 -7.2055 -7.2032 -2.0757 -2.0408 -1.9875 -1.9459 -1.7510 -1.7308 -1.6713 -1.6207 -1.6055 -1.5837 -0.2760 -0.2361 1.9287 1.9825 2.1291 2.1686 2.5223 2.5482 2.7334 2.8674 3.3462 3.4185 6.6553 6.6625 7.3441 7.3455 7.4307 7.4397 9.6816 9.6920 k = 0.3868 0.3868-0.0000 ( 4078 PWs) bands (ev): -35.9037 -35.9037 -17.2167 -17.2110 -16.8709 -16.8709 -16.7909 -16.7844 -7.2993 -7.2990 -7.2050 -7.2026 -2.0780 -2.0414 -1.9922 -1.9466 -1.7533 -1.7297 -1.6777 -1.6261 -1.6064 -1.5830 -0.2403 -0.1977 1.9251 1.9819 2.1192 2.1536 2.5227 2.5505 2.7636 2.9016 3.3484 3.4265 6.6950 6.7030 7.3586 7.3602 7.4579 7.4673 9.6833 9.6941 k = 0.3774 0.3774-0.0000 ( 4088 PWs) bands (ev): -35.9037 -35.9037 -17.2164 -17.2102 -16.8701 -16.8701 -16.7912 -16.7843 -7.3142 -7.3139 -7.2045 -7.2019 -2.0803 -2.0424 -1.9970 -1.9474 -1.7560 -1.7285 -1.6837 -1.6318 -1.6072 -1.5825 -0.2024 -0.1571 1.9213 1.9810 2.1112 2.1404 2.5237 2.5531 2.7941 2.9358 3.3512 3.4348 6.7386 6.7474 7.3743 7.3762 7.4864 7.4960 9.6817 9.6924 k = 0.3679 0.3679-0.0000 ( 4082 PWs) bands (ev): -35.9038 -35.9038 -17.2160 -17.2095 -16.8692 -16.8692 -16.7916 -16.7842 -7.3300 -7.3297 -7.2039 -7.2012 -2.0826 -2.0438 -2.0018 -1.9480 -1.7592 -1.7272 -1.6891 -1.6375 -1.6079 -1.5822 -0.1626 -0.1146 1.9174 1.9800 2.1048 2.1289 2.5253 2.5562 2.8248 2.9699 3.3543 3.4433 6.7862 6.7957 7.3911 7.3932 7.5158 7.5254 9.6758 9.6859 k = 0.3585 0.3585-0.0000 ( 4080 PWs) bands (ev): -35.9039 -35.9039 -17.2156 -17.2087 -16.8682 -16.8682 -16.7919 -16.7841 -7.3465 -7.3462 -7.2033 -7.2005 -2.0848 -2.0456 -2.0067 -1.9486 -1.7627 -1.7259 -1.6940 -1.6433 -1.6085 -1.5821 -0.1209 -0.0704 1.9135 1.9792 2.0998 2.1194 2.5278 2.5599 2.8555 3.0039 3.3579 3.4521 6.8377 6.8479 7.4089 7.4112 7.5458 7.5554 9.6641 9.6727 k = 0.3491 0.3491-0.0000 ( 4084 PWs) bands (ev): -35.9040 -35.9040 -17.2151 -17.2079 -16.8672 -16.8672 -16.7922 -16.7841 -7.3638 -7.3635 -7.2027 -7.1997 -2.0871 -2.0477 -2.0115 -1.9492 -1.7667 -1.7246 -1.6983 -1.6491 -1.6091 -1.5822 -0.0776 -0.0246 1.9095 1.9789 2.0959 2.1117 2.5314 2.5644 2.8862 3.0377 3.3619 3.4611 6.8931 6.9039 7.4273 7.4298 7.5761 7.5854 9.6447 9.6506 k = 0.3396 0.3396-0.0000 ( 4088 PWs) bands (ev): -35.9041 -35.9041 -17.2146 -17.2071 -16.8662 -16.8662 -16.7925 -16.7840 -7.3818 -7.3815 -7.2021 -7.1989 -2.0893 -2.0502 -2.0163 -1.9496 -1.7709 -1.7232 -1.7021 -1.6549 -1.6095 -1.5826 -0.0329 0.0226 1.9055 1.9794 2.0928 2.1059 2.5364 2.5700 2.9170 3.0713 3.3663 3.4702 6.9522 6.9636 7.4461 7.4489 7.6063 7.6152 9.6149 9.6168 k = 0.3302 0.3302-0.0000 ( 4090 PWs) bands (ev): -35.9041 -35.9041 -17.2141 -17.2063 -16.8651 -16.8651 -16.7929 -16.7840 -7.4003 -7.4000 -7.2014 -7.1981 -2.0915 -2.0530 -2.0210 -1.9500 -1.7754 -1.7218 -1.7055 -1.6606 -1.6100 -1.5833 0.0130 0.0710 1.9015 1.9808 2.0902 2.1020 2.5429 2.5768 2.9476 3.1046 3.3711 3.4796 7.0150 7.0268 7.4649 7.4680 7.6360 7.6443 9.5699 9.5724 k = 0.3208 0.3208-0.0000 ( 4094 PWs) bands (ev): -35.9042 -35.9042 -17.2135 -17.2054 -16.8640 -16.8640 -16.7932 -16.7840 -7.4194 -7.4191 -7.2007 -7.1973 -2.0938 -2.0561 -2.0255 -1.9504 -1.7800 -1.7204 -1.7085 -1.6661 -1.6104 -1.5842 0.0600 0.1204 1.8977 1.9835 2.0880 2.0999 2.5513 2.5850 2.9781 3.1376 3.3762 3.4890 7.0812 7.0933 7.4833 7.4869 7.6647 7.6723 9.5107 9.5171 k = 0.3113 0.3113-0.0000 ( 4092 PWs) bands (ev): -35.9043 -35.9043 -17.2129 -17.2046 -16.8628 -16.8628 -16.7934 -16.7840 -7.4389 -7.4386 -7.2000 -7.1965 -2.0959 -2.0593 -2.0299 -1.9507 -1.7846 -1.7190 -1.7111 -1.6715 -1.6108 -1.5854 0.1076 0.1706 1.8942 1.9877 2.0859 2.0997 2.5617 2.5949 3.0084 3.1703 3.3815 3.4986 7.1504 7.1625 7.5009 7.5051 7.6921 7.6988 9.4420 9.4512 k = 0.3019 0.3019-0.0000 ( 4096 PWs) bands (ev): -35.9044 -35.9044 -17.2123 -17.2038 -16.8617 -16.8616 -16.7937 -16.7841 -7.4588 -7.4584 -7.1993 -7.1957 -2.0981 -2.0628 -2.0342 -1.9511 -1.7892 -1.7177 -1.7136 -1.6767 -1.6112 -1.5868 0.1559 0.2213 1.8911 1.9935 2.0840 2.1013 2.5744 2.6067 3.0386 3.2026 3.3872 3.5083 7.2221 7.2338 7.5173 7.5225 7.7176 7.7231 9.3669 9.3781 k = 0.2925 0.2925-0.0000 ( 4100 PWs) bands (ev): -35.9045 -35.9045 -17.2117 -17.2029 -16.8605 -16.8604 -16.7940 -16.7842 -7.4789 -7.4786 -7.1985 -7.1949 -2.1002 -2.0664 -2.0383 -1.9515 -1.7936 -1.7165 -1.7159 -1.6817 -1.6115 -1.5885 0.2044 0.2724 1.8885 2.0010 2.0823 2.1047 2.5893 2.6203 3.0686 3.2345 3.3932 3.5180 7.2950 7.3054 7.5326 7.5396 7.7406 7.7448 9.2884 9.3008 k = 0.2830 0.2830-0.0000 ( 4116 PWs) bands (ev): -35.9046 -35.9046 -17.2110 -17.2021 -16.8592 -16.8592 -16.7943 -16.7843 -7.4993 -7.4990 -7.1977 -7.1941 -2.1023 -2.0700 -2.0422 -1.9520 -1.7979 -1.7182 -1.7155 -1.6865 -1.6119 -1.5905 0.2530 0.3234 1.8866 2.0103 2.0809 2.1101 2.6067 2.6361 3.0983 3.2659 3.3994 3.5278 7.3664 7.3736 7.5481 7.5586 7.7606 7.7633 9.2090 9.2222 k = 0.2736 0.2736-0.0000 ( 4124 PWs) bands (ev): -35.9047 -35.9047 -17.2103 -17.2013 -16.8580 -16.8580 -16.7945 -16.7844 -7.5198 -7.5195 -7.1970 -7.1933 -2.1044 -2.0738 -2.0458 -1.9526 -1.8019 -1.7204 -1.7148 -1.6909 -1.6123 -1.5926 0.3013 0.3742 1.8856 2.0215 2.0800 2.1173 2.6266 2.6541 3.1278 3.2969 3.4058 3.5377 7.4283 7.4296 7.5704 7.5871 7.7769 7.7779 9.1308 9.1445 k = 0.2642 0.2642-0.0000 ( 4128 PWs) bands (ev): -35.9048 -35.9048 -17.2096 -17.2005 -16.8567 -16.8567 -16.7947 -16.7845 -7.5404 -7.5401 -7.1962 -7.1925 -2.1064 -2.0775 -2.0492 -1.9534 -1.8056 -1.7225 -1.7145 -1.6947 -1.6126 -1.5950 0.3491 0.4244 1.8858 2.0346 2.0800 2.1265 2.6489 2.6742 3.1570 3.3274 3.4123 3.5475 7.4605 7.4647 7.6134 7.6361 7.7880 7.7889 9.0560 9.0700 k = 0.2547 0.2547-0.0000 ( 4116 PWs) bands (ev): -35.9049 -35.9049 -17.2088 -17.1997 -16.8554 -16.8554 -16.7949 -16.7846 -7.5610 -7.5606 -7.1954 -7.1917 -2.1084 -2.0811 -2.0523 -1.9543 -1.8089 -1.7246 -1.7149 -1.6977 -1.6129 -1.5975 0.3961 0.4736 1.8874 2.0496 2.0811 2.1377 2.6736 2.6966 3.1859 3.3574 3.4191 3.5573 7.4647 7.4703 7.6806 7.7052 7.7931 7.7962 8.9866 9.0004 k = 0.2453 0.2453-0.0000 ( 4112 PWs) bands (ev): -35.9050 -35.9050 -17.2080 -17.1989 -16.8541 -16.8541 -16.7950 -16.7848 -7.5814 -7.5811 -7.1947 -7.1909 -2.1103 -2.0847 -2.0551 -1.9554 -1.8120 -1.7268 -1.7162 -1.6999 -1.6132 -1.6001 0.4420 0.5214 1.8908 2.0663 2.0838 2.1509 2.7006 2.7212 3.2144 3.3867 3.4261 3.5671 7.4495 7.4547 7.7576 7.7802 7.7976 7.8008 8.9242 8.9376 k = 0.2358 0.2358-0.0000 ( 4114 PWs) bands (ev): -35.9051 -35.9051 -17.2072 -17.1981 -16.8528 -16.8528 -16.7952 -16.7849 -7.6018 -7.6014 -7.1939 -7.1902 -2.1122 -2.0883 -2.0577 -1.9568 -1.8146 -1.7290 -1.7185 -1.7011 -1.6135 -1.6028 0.4863 0.5675 1.8964 2.0837 2.0896 2.1661 2.7298 2.7479 3.2426 3.4152 3.4334 3.5768 7.4193 7.4238 7.7826 7.7856 7.8534 7.8735 8.8701 8.8827 k = 0.2264 0.2264-0.0000 ( 4122 PWs) bands (ev): -35.9053 -35.9052 -17.2065 -17.1974 -16.8516 -16.8515 -16.7953 -16.7851 -7.6219 -7.6216 -7.1932 -7.1894 -2.1141 -2.0918 -2.0600 -1.9584 -1.8170 -1.7312 -1.7215 -1.7018 -1.6139 -1.6056 0.5289 0.6113 1.9046 2.0935 2.1070 2.1833 2.7612 2.7767 3.2703 3.4381 3.4458 3.5864 7.3757 7.3794 7.7680 7.7743 7.9409 7.9620 8.8250 8.8364 k = 0.2170 0.2170-0.0000 ( 4122 PWs) bands (ev): -35.9054 -35.9053 -17.2057 -17.1966 -16.8503 -16.8502 -16.7954 -16.7853 -7.6417 -7.6414 -7.1924 -7.1887 -2.1159 -2.0951 -2.0620 -1.9602 -1.8189 -1.7334 -1.7248 -1.7023 -1.6142 -1.6084 0.5693 0.6525 1.9158 2.1028 2.1292 2.2024 2.7946 2.8075 3.2977 3.4466 3.4719 3.5959 7.3195 7.3223 7.7456 7.7537 8.0312 8.0519 8.7888 8.7987 k = 0.2075 0.2075-0.0000 ( 4114 PWs) bands (ev): -35.9054 -35.9054 -17.2048 -17.1959 -16.8490 -16.8489 -16.7955 -16.7855 -7.6612 -7.6609 -7.1917 -7.1880 -2.1176 -2.0983 -2.0637 -1.9623 -1.8204 -1.7356 -1.7282 -1.7027 -1.6145 -1.6110 0.6073 0.6907 1.9303 2.1147 2.1533 2.2234 2.8298 2.8402 3.3246 3.4541 3.4986 3.6053 7.2518 7.2538 7.7154 7.7248 8.1221 8.1420 8.7609 8.7687 k = 0.1981 0.1981-0.0000 ( 4118 PWs) bands (ev): -35.9055 -35.9055 -17.2040 -17.1952 -16.8477 -16.8477 -16.7956 -16.7858 -7.6802 -7.6799 -7.1909 -7.1874 -2.1193 -2.1015 -2.0651 -1.9647 -1.8216 -1.7379 -1.7316 -1.7034 -1.6148 -1.6136 0.6426 0.7256 1.9484 2.1296 2.1792 2.2462 2.8668 2.8747 3.3510 3.4615 3.5246 3.6146 7.1739 7.1750 7.6775 7.6878 8.2123 8.2310 8.7397 8.7452 k = 0.1887 0.1887-0.0000 ( 4108 PWs) bands (ev): -35.9056 -35.9056 -17.2032 -17.1946 -16.8465 -16.8464 -16.7956 -16.7860 -7.6988 -7.6985 -7.1902 -7.1867 -2.1209 -2.1044 -2.0662 -1.9672 -1.8224 -1.7402 -1.7350 -1.7043 -1.6160 -1.6151 0.6750 0.7568 1.9703 2.1476 2.2066 2.2707 2.9053 2.9108 3.3769 3.4690 3.5498 3.6237 7.0873 7.0874 7.6323 7.6431 8.3006 8.3175 8.7236 8.7267 k = 0.1792 0.1792-0.0000 ( 4110 PWs) bands (ev): -35.9057 -35.9057 -17.2024 -17.1940 -16.8453 -16.8452 -16.7957 -16.7862 -7.7169 -7.7166 -7.1895 -7.1861 -2.1225 -2.1072 -2.0670 -1.9700 -1.8229 -1.7424 -1.7383 -1.7055 -1.6182 -1.6154 0.7043 0.7843 1.9962 2.1688 2.2356 2.2967 2.9453 2.9484 3.4023 3.4766 3.5741 3.6327 6.9928 6.9935 7.5804 7.5912 8.3852 8.3997 8.7113 8.7122 k = 0.1698 0.1698-0.0000 ( 4114 PWs) bands (ev): -35.9058 -35.9058 -17.2016 -17.1934 -16.8441 -16.8440 -16.7957 -16.7865 -7.7344 -7.7341 -7.1889 -7.1856 -2.1240 -2.1099 -2.0676 -1.9730 -1.8230 -1.7447 -1.7415 -1.7072 -1.6202 -1.6158 0.7305 0.8079 2.0259 2.1930 2.2659 2.3242 2.9864 2.9872 3.4271 3.4844 3.5976 3.6416 6.8925 6.8941 7.5227 7.5332 8.4631 8.4737 8.7024 8.7025 k = 0.1604 0.1604-0.0000 ( 4118 PWs) bands (ev): -35.9059 -35.9059 -17.2008 -17.1929 -16.8430 -16.8429 -16.7957 -16.7868 -7.7512 -7.7509 -7.1882 -7.1850 -2.1255 -2.1125 -2.0680 -1.9762 -1.8228 -1.7469 -1.7446 -1.7093 -1.6219 -1.6161 0.7536 0.8278 2.0592 2.2202 2.2975 2.3529 3.0271 3.0286 3.4514 3.4925 3.6200 3.6504 6.7880 6.7903 7.4602 7.4702 8.5271 8.5311 8.7015 8.7031 k = 0.1509 0.1509-0.0000 ( 4118 PWs) bands (ev): -35.9060 -35.9060 -17.2000 -17.1924 -16.8418 -16.8418 -16.7956 -16.7871 -7.7673 -7.7671 -7.1876 -7.1845 -2.1269 -2.1149 -2.0680 -1.9796 -1.8222 -1.7492 -1.7475 -1.7118 -1.6232 -1.6164 0.7737 0.8441 2.0957 2.2497 2.3304 2.3827 3.0679 3.0715 3.4751 3.5009 3.6415 3.6591 6.6806 6.6836 7.3941 7.4033 8.5576 8.5625 8.7203 8.7263 k = 0.1415 0.1415-0.0000 ( 4119 PWs) bands (ev): -35.9061 -35.9061 -17.1993 -17.1920 -16.8408 -16.8407 -16.7956 -16.7874 -7.7827 -7.7825 -7.1870 -7.1841 -2.1282 -2.1172 -2.0678 -1.9831 -1.8214 -1.7513 -1.7503 -1.7147 -1.6243 -1.6168 0.7909 0.8571 2.1349 2.2812 2.3643 2.4133 3.1092 3.1149 3.4982 3.5098 3.6618 3.6678 6.5713 6.5750 7.3255 7.3338 8.5526 8.5628 8.7639 8.7714 k = 0.1321 0.1321-0.0000 ( 4123 PWs) bands (ev): -35.9062 -35.9062 -17.1985 -17.1916 -16.8397 -16.8397 -16.7955 -16.7878 -7.7973 -7.7971 -7.1864 -7.1836 -2.1294 -2.1193 -2.0673 -1.9867 -1.8203 -1.7534 -1.7530 -1.7180 -1.6252 -1.6171 0.8054 0.8670 2.1762 2.3141 2.3993 2.4447 3.1508 3.1583 3.5195 3.5207 3.6766 3.6811 6.4614 6.4655 7.2556 7.2629 8.5300 8.5419 8.8174 8.8237 k = 0.1226 0.1226-0.0000 ( 4129 PWs) bands (ev): -35.9062 -35.9062 -17.1978 -17.1912 -16.8388 -16.8387 -16.7955 -16.7881 -7.8111 -7.8109 -7.1859 -7.1832 -2.1305 -2.1213 -2.0666 -1.9905 -1.8189 -1.7555 -1.7554 -1.7216 -1.6258 -1.6174 0.8175 0.8744 2.2188 2.3475 2.4351 2.4765 3.1923 3.2012 3.5304 3.5428 3.6856 3.6991 6.3515 6.3561 7.1855 7.1918 8.4987 8.5107 8.8702 8.8746 k = 0.1132 0.1132-0.0000 ( 4129 PWs) bands (ev): -35.9063 -35.9063 -17.1971 -17.1909 -16.8378 -16.8378 -16.7953 -16.7884 -7.8241 -7.8239 -7.1853 -7.1829 -2.1315 -2.1232 -2.0657 -1.9942 -1.8172 -1.7578 -1.7574 -1.7255 -1.6261 -1.6178 0.8274 0.8795 2.2622 2.3809 2.4715 2.5085 3.2330 3.2430 3.5429 3.5646 3.6948 3.7158 6.2428 6.2477 7.1162 7.1215 8.4628 8.4741 8.9183 8.9211 k = 0.1038 0.1038-0.0000 ( 4127 PWs) bands (ev): -35.9064 -35.9064 -17.1964 -17.1906 -16.8369 -16.8369 -16.7952 -16.7888 -7.8361 -7.8359 -7.1848 -7.1825 -2.1324 -2.1249 -2.0645 -1.9981 -1.8153 -1.7599 -1.7593 -1.7296 -1.6263 -1.6181 0.8355 0.8828 2.3053 2.4135 2.5083 2.5405 3.2725 3.2828 3.5576 3.5863 3.7043 3.7312 6.1359 6.1410 7.0487 7.0530 8.4245 8.4347 8.9606 8.9623 k = 0.0943 0.0943-0.0000 ( 4127 PWs) bands (ev): -35.9064 -35.9064 -17.1957 -17.1904 -16.8361 -16.8361 -16.7951 -16.7891 -7.8472 -7.8470 -7.1844 -7.1823 -2.1332 -2.1265 -2.0631 -2.0020 -1.8131 -1.7619 -1.7610 -1.7339 -1.6263 -1.6184 0.8420 0.8845 2.3476 2.4447 2.5450 2.5720 3.3099 3.3195 3.5753 3.6080 3.7144 3.7452 6.0319 6.0371 6.9839 6.9873 8.3854 8.3943 8.9972 8.9983 k = 0.0849 0.0849-0.0000 ( 4127 PWs) bands (ev): -35.9065 -35.9065 -17.1951 -17.1902 -16.8354 -16.8354 -16.7949 -16.7895 -7.8573 -7.8572 -7.1839 -7.1820 -2.1339 -2.1280 -2.0615 -2.0059 -1.8107 -1.7637 -1.7626 -1.7383 -1.6262 -1.6188 0.8472 0.8850 2.3882 2.4741 2.5809 2.6028 3.3445 3.3522 3.5965 3.6301 3.7251 3.7578 5.9315 5.9369 6.9226 6.9252 8.3467 8.3543 9.0286 9.0295 k = 0.0755 0.0755-0.0000 ( 4127 PWs) bands (ev): -35.9065 -35.9065 -17.1945 -17.1901 -16.8347 -16.8347 -16.7947 -16.7898 -7.8664 -7.8663 -7.1835 -7.1818 -2.1346 -2.1293 -2.0597 -2.0098 -1.8081 -1.7653 -1.7641 -1.7428 -1.6259 -1.6191 0.8514 0.8845 2.4265 2.5011 2.6154 2.6325 3.3753 3.3800 3.6215 3.6527 3.7365 3.7690 5.8360 5.8412 6.8656 6.8675 8.3096 8.3160 9.0555 9.0564 k = 0.0660 0.0660-0.0000 ( 4123 PWs) bands (ev): -35.9066 -35.9066 -17.1939 -17.1900 -16.8341 -16.8341 -16.7945 -16.7902 -7.8746 -7.8744 -7.1832 -7.1816 -2.1350 -2.1305 -2.0577 -2.0136 -1.8053 -1.7668 -1.7654 -1.7474 -1.6256 -1.6195 0.8547 0.8833 2.4619 2.5255 2.6479 2.6605 3.4017 3.4028 3.6497 3.6756 3.7490 3.7789 5.7463 5.7513 6.8135 6.8148 8.2749 8.2801 9.0785 9.0795 k = 0.0566 0.0566-0.0000 ( 4129 PWs) bands (ev): -35.9066 -35.9066 -17.1934 -17.1900 -16.8336 -16.8336 -16.7943 -16.7906 -7.8816 -7.8815 -7.1828 -7.1815 -2.1355 -2.1316 -2.0556 -2.0175 -1.8023 -1.7682 -1.7665 -1.7519 -1.6253 -1.6199 0.8574 0.8817 2.4938 2.5470 2.6775 2.6864 3.4209 3.4233 3.6797 3.6978 3.7627 3.7876 5.6638 5.6685 6.7670 6.7678 8.2434 8.2476 9.0979 9.0989 k = 0.0472 0.0472-0.0000 ( 4129 PWs) bands (ev): -35.9066 -35.9066 -17.1928 -17.1901 -16.8332 -16.8331 -16.7940 -16.7909 -7.8877 -7.8876 -7.1825 -7.1814 -2.1358 -2.1325 -2.0532 -2.0212 -1.7991 -1.7694 -1.7675 -1.7563 -1.6248 -1.6203 0.8597 0.8797 2.5220 2.5652 2.7037 2.7096 3.4351 3.4400 3.7093 3.7181 3.7781 3.7954 5.5899 5.5941 6.7266 6.7271 8.2157 8.2190 9.1141 9.1151 k = 0.0377 0.0377-0.0000 ( 4125 PWs) bands (ev): -35.9067 -35.9067 -17.1924 -17.1901 -16.8328 -16.8328 -16.7938 -16.7913 -7.8926 -7.8925 -7.1823 -7.1814 -2.1359 -2.1334 -2.0506 -2.0249 -1.7957 -1.7706 -1.7683 -1.7605 -1.6244 -1.6207 0.8617 0.8776 2.5460 2.5798 2.7259 2.7295 3.4461 3.4523 3.7352 3.7355 3.7946 3.8033 5.5261 5.5297 6.6929 6.6932 8.1923 8.1948 9.1273 9.1282 k = 0.0283 0.0283-0.0000 ( 4129 PWs) bands (ev): -35.9067 -35.9067 -17.1919 -17.1903 -16.8325 -16.8325 -16.7935 -16.7916 -7.8965 -7.8964 -7.1820 -7.1814 -2.1360 -2.1341 -2.0479 -2.0286 -1.7921 -1.7721 -1.7689 -1.7643 -1.6240 -1.6212 0.8636 0.8754 2.5657 2.5906 2.7436 2.7457 3.4545 3.4606 3.7487 3.7553 3.8107 3.8124 5.4742 5.4771 6.6662 6.6663 8.1737 8.1755 9.1375 9.1382 k = 0.0189 0.0189-0.0000 ( 4135 PWs) bands (ev): -35.9067 -35.9067 -17.1916 -17.1904 -16.8323 -16.8323 -16.7932 -16.7920 -7.8992 -7.8992 -7.1818 -7.1814 -2.1360 -2.1347 -2.0451 -2.0321 -1.7885 -1.7743 -1.7693 -1.7671 -1.6235 -1.6216 0.8654 0.8732 2.5810 2.5974 2.7566 2.7576 3.4608 3.4656 3.7589 3.7667 3.8225 3.8241 5.4358 5.4378 6.6469 6.6469 8.1603 8.1615 9.1448 9.1453 k = 0.0094 0.0094-0.0000 ( 4131 PWs) bands (ev): -35.9067 -35.9067 -17.1912 -17.1906 -16.8322 -16.8322 -16.7929 -16.7923 -7.9009 -7.9009 -7.1817 -7.1814 -2.1358 -2.1352 -2.0420 -2.0355 -1.7847 -1.7773 -1.7695 -1.7686 -1.6230 -1.6220 0.8672 0.8711 2.5918 2.5999 2.7644 2.7648 3.4651 3.4677 3.7661 3.7710 3.8311 3.8327 5.4123 5.4133 6.6352 6.6352 8.1523 8.1528 9.1493 9.1495 k = 0.0000 0.0000 0.0000 ( 4131 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7926 -16.7926 -7.9014 -7.9014 -7.1815 -7.1815 -2.1356 -2.1356 -2.0388 -2.0388 -1.7809 -1.7809 -1.7693 -1.7693 -1.6225 -1.6225 0.8691 0.8691 2.5981 2.5981 2.7672 2.7672 3.4674 3.4674 3.7703 3.7703 3.8350 3.8350 5.4047 5.4047 6.6313 6.6313 8.1498 8.1498 9.1508 9.1508 k = 0.0000 0.0000 0.0000 ( 4131 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7926 -16.7926 -7.9014 -7.9014 -7.1815 -7.1815 -2.1356 -2.1356 -2.0388 -2.0388 -1.7809 -1.7809 -1.7693 -1.7693 -1.6225 -1.6225 0.8691 0.8691 2.5981 2.5981 2.7672 2.7672 3.4674 3.4674 3.7703 3.7703 3.8350 3.8350 5.4047 5.4047 6.6313 6.6313 8.1498 8.1498 9.1508 9.1508 k = 0.0000 0.0000 0.0134 ( 4130 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7926 -16.7926 -7.9010 -7.9010 -7.1821 -7.1821 -2.1355 -2.1355 -2.0389 -2.0389 -1.7811 -1.7811 -1.7691 -1.7691 -1.6226 -1.6226 0.8701 0.8701 2.5976 2.5976 2.7668 2.7668 3.4653 3.4653 3.7678 3.7678 3.8357 3.8357 5.4115 5.4115 6.6335 6.6335 8.1512 8.1512 9.1509 9.1509 k = 0.0000 0.0000 0.0267 ( 4130 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7926 -16.7926 -7.8996 -7.8996 -7.1836 -7.1836 -2.1355 -2.1355 -2.0390 -2.0390 -1.7816 -1.7816 -1.7687 -1.7687 -1.6228 -1.6228 0.8733 0.8733 2.5963 2.5963 2.7655 2.7655 3.4587 3.4587 3.7606 3.7606 3.8379 3.8379 5.4315 5.4315 6.6404 6.6404 8.1557 8.1557 9.1510 9.1510 k = 0.0000 0.0000 0.0401 ( 4130 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7926 -16.7926 -7.8974 -7.8974 -7.1862 -7.1862 -2.1355 -2.1355 -2.0393 -2.0393 -1.7823 -1.7823 -1.7681 -1.7681 -1.6231 -1.6231 0.8785 0.8785 2.5941 2.5941 2.7634 2.7634 3.4469 3.4469 3.7502 3.7502 3.8414 3.8414 5.4641 5.4641 6.6518 6.6518 8.1629 8.1629 9.1512 9.1512 k = 0.0000 0.0000 0.0534 ( 4142 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7927 -16.7927 -7.8944 -7.8944 -7.1898 -7.1898 -2.1354 -2.1354 -2.0397 -2.0397 -1.7832 -1.7832 -1.7674 -1.7674 -1.6235 -1.6235 0.8857 0.8857 2.5911 2.5911 2.7605 2.7605 3.4290 3.4290 3.7385 3.7385 3.8463 3.8463 5.5080 5.5080 6.6677 6.6677 8.1728 8.1728 9.1514 9.1514 k = 0.0000 0.0000 0.0668 ( 4138 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7927 -16.7927 -7.8905 -7.8905 -7.1944 -7.1944 -2.1353 -2.1353 -2.0401 -2.0401 -1.7843 -1.7843 -1.7666 -1.7666 -1.6241 -1.6241 0.8949 0.8949 2.5873 2.5873 2.7568 2.7568 3.4043 3.4043 3.7275 3.7275 3.8524 3.8524 5.5620 5.5620 6.6880 6.6880 8.1850 8.1850 9.1518 9.1518 k = 0.0000 0.0000 0.0801 ( 4122 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7927 -16.7927 -7.8857 -7.8857 -7.1999 -7.1999 -2.1351 -2.1351 -2.0405 -2.0405 -1.7853 -1.7853 -1.7657 -1.7657 -1.6247 -1.6247 0.9060 0.9060 2.5829 2.5829 2.7526 2.7526 3.3724 3.3724 3.7189 3.7189 3.8595 3.8595 5.6246 5.6246 6.7127 6.7127 8.1992 8.1992 9.1522 9.1522 k = 0.0000 0.0000 0.0935 ( 4118 PWs) bands (ev): -35.9067 -35.9067 -17.1909 -17.1909 -16.8321 -16.8321 -16.7927 -16.7927 -7.8803 -7.8803 -7.2063 -7.2063 -2.1350 -2.1350 -2.0411 -2.0411 -1.7865 -1.7865 -1.7647 -1.7647 -1.6254 -1.6254 0.9188 0.9188 2.5779 2.5779 2.7478 2.7478 3.3339 3.3339 3.7134 3.7134 3.8677 3.8677 5.6947 5.6947 6.7416 6.7416 8.2148 8.2148 9.1526 9.1526 k = 0.0000 0.0000 0.1068 ( 4146 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8321 -16.8321 -16.7928 -16.7928 -7.8740 -7.8740 -7.2135 -7.2135 -2.1349 -2.1349 -2.0419 -2.0419 -1.7878 -1.7878 -1.7639 -1.7639 -1.6263 -1.6263 0.9334 0.9334 2.5724 2.5724 2.7425 2.7425 3.2895 3.2895 3.7111 3.7111 3.8767 3.8767 5.7708 5.7708 6.7746 6.7746 8.2309 8.2309 9.1530 9.1530 k = 0.0000 0.0000 0.1202 ( 4146 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8321 -16.8321 -16.7928 -16.7928 -7.8672 -7.8672 -7.2214 -7.2214 -2.1347 -2.1347 -2.0426 -2.0426 -1.7890 -1.7890 -1.7630 -1.7630 -1.6272 -1.6272 0.9495 0.9495 2.5666 2.5666 2.7368 2.7368 3.2408 3.2408 3.7116 3.7116 3.8864 3.8864 5.8522 5.8522 6.8117 6.8117 8.2469 8.2469 9.1535 9.1535 k = 0.0000 0.0000 0.1335 ( 4150 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8322 -16.8322 -16.7928 -16.7928 -7.8597 -7.8597 -7.2301 -7.2301 -2.1345 -2.1345 -2.0434 -2.0434 -1.7902 -1.7902 -1.7622 -1.7622 -1.6281 -1.6281 0.9670 0.9670 2.5606 2.5606 2.7309 2.7309 3.1889 3.1889 3.7143 3.7143 3.8966 3.8966 5.9376 5.9376 6.8526 6.8526 8.2614 8.2614 9.1540 9.1540 k = 0.0000 0.0000 0.1469 ( 4146 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8322 -16.8322 -16.7928 -16.7928 -7.8517 -7.8517 -7.2393 -7.2393 -2.1343 -2.1343 -2.0442 -2.0442 -1.7914 -1.7914 -1.7613 -1.7613 -1.6290 -1.6290 0.9857 0.9857 2.5544 2.5544 2.7249 2.7249 3.1351 3.1351 3.7189 3.7189 3.9071 3.9071 6.0265 6.0265 6.8973 6.8973 8.2733 8.2733 9.1194 9.1194 k = 0.0000 0.0000 0.1603 ( 4146 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8322 -16.8322 -16.7929 -16.7929 -7.8432 -7.8432 -7.2490 -7.2490 -2.1341 -2.1341 -2.0450 -2.0450 -1.7926 -1.7926 -1.7605 -1.7605 -1.6299 -1.6299 1.0054 1.0054 2.5481 2.5481 2.7187 2.7187 3.0805 3.0805 3.7247 3.7247 3.9178 3.9178 6.1180 6.1180 6.9455 6.9455 8.2809 8.2809 9.0527 9.0527 k = 0.0000 0.0000 0.1736 ( 4146 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8322 -16.8322 -16.7929 -16.7929 -7.8344 -7.8344 -7.2591 -7.2591 -2.1339 -2.1339 -2.0458 -2.0458 -1.7937 -1.7937 -1.7598 -1.7598 -1.6309 -1.6309 1.0259 1.0259 2.5419 2.5419 2.7126 2.7126 3.0260 3.0260 3.7313 3.7313 3.9285 3.9285 6.2114 6.2114 6.9971 6.9971 8.2827 8.2827 8.9821 8.9821 k = 0.0000 0.0000 0.1870 ( 4122 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8321 -16.8321 -16.7929 -16.7929 -7.8253 -7.8253 -7.2694 -7.2694 -2.1336 -2.1336 -2.0466 -2.0466 -1.7947 -1.7947 -1.7590 -1.7590 -1.6317 -1.6317 1.0469 1.0469 2.5359 2.5359 2.7066 2.7066 2.9723 2.9723 3.7385 3.7385 3.9391 3.9391 6.3062 6.3062 7.0520 7.0520 8.2774 8.2774 8.9073 8.9073 k = 0.0000 0.0000 0.2003 ( 4126 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8321 -16.8321 -16.7929 -16.7929 -7.8161 -7.8161 -7.2797 -7.2797 -2.1334 -2.1334 -2.0474 -2.0474 -1.7957 -1.7957 -1.7584 -1.7584 -1.6326 -1.6326 1.0682 1.0682 2.5302 2.5302 2.7008 2.7008 2.9203 2.9203 3.7459 3.7459 3.9493 3.9493 6.4016 6.4016 7.1098 7.1098 8.2641 8.2641 8.8281 8.8281 k = 0.0000 0.0000 0.2137 ( 4122 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8321 -16.8321 -16.7929 -16.7929 -7.8069 -7.8069 -7.2900 -7.2900 -2.1331 -2.1331 -2.0482 -2.0482 -1.7967 -1.7967 -1.7578 -1.7578 -1.6334 -1.6334 1.0893 1.0893 2.5248 2.5248 2.6953 2.6953 2.8706 2.8706 3.7533 3.7533 3.9591 3.9591 6.4970 6.4970 7.1705 7.1705 8.2425 8.2425 8.7446 8.7446 k = 0.0000 0.0000 0.2270 ( 4126 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8321 -16.8321 -16.7930 -16.7930 -7.7980 -7.7980 -7.3001 -7.3001 -2.1329 -2.1329 -2.0490 -2.0490 -1.7975 -1.7975 -1.7573 -1.7573 -1.6342 -1.6342 1.1099 1.1099 2.5198 2.5198 2.6901 2.6901 2.8239 2.8239 3.7604 3.7604 3.9682 3.9682 6.5915 6.5915 7.2339 7.2339 8.2130 8.2130 8.6572 8.6572 k = 0.0000 0.0000 0.2404 ( 4142 PWs) bands (ev): -35.9067 -35.9067 -17.1911 -17.1911 -16.8321 -16.8321 -16.7931 -16.7931 -7.7893 -7.7893 -7.3097 -7.3097 -2.1328 -2.1328 -2.0497 -2.0497 -1.7983 -1.7983 -1.7568 -1.7568 -1.6349 -1.6349 1.1297 1.1297 2.5153 2.5153 2.6852 2.6852 2.7808 2.7808 3.7671 3.7671 3.9766 3.9766 6.6841 6.6841 7.2998 7.2998 8.1768 8.1768 8.5666 8.5666 k = 0.0000 0.0000 0.2537 ( 4134 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8321 -16.8321 -16.7931 -16.7931 -7.7813 -7.7813 -7.3187 -7.3187 -2.1326 -2.1326 -2.0504 -2.0504 -1.7990 -1.7990 -1.7564 -1.7564 -1.6355 -1.6355 1.1481 1.1481 2.5113 2.5113 2.6805 2.6805 2.7422 2.7422 3.7732 3.7732 3.9841 3.9841 6.7736 6.7736 7.3680 7.3680 8.1356 8.1356 8.4739 8.4739 k = 0.0000 0.0000 0.2671 ( 4134 PWs) bands (ev): -35.9067 -35.9067 -17.1911 -17.1911 -16.8321 -16.8321 -16.7931 -16.7931 -7.7739 -7.7739 -7.3268 -7.3268 -2.1325 -2.1325 -2.0509 -2.0509 -1.7996 -1.7996 -1.7560 -1.7560 -1.6361 -1.6361 1.1648 1.1648 2.5080 2.5080 2.6754 2.6754 2.7092 2.7092 3.7786 3.7786 3.9907 3.9907 6.8583 6.8583 7.4381 7.4381 8.0917 8.0917 8.3803 8.3803 k = 0.0000 0.0000 0.2804 ( 4130 PWs) bands (ev): -35.9067 -35.9067 -17.1910 -17.1910 -16.8321 -16.8321 -16.7931 -16.7931 -7.7676 -7.7676 -7.3338 -7.3338 -2.1323 -2.1323 -2.0514 -2.0514 -1.8001 -1.8001 -1.7557 -1.7557 -1.6365 -1.6365 1.1792 1.1792 2.5054 2.5054 2.6662 2.6662 2.6860 2.6860 3.7832 3.7832 3.9962 3.9962 6.9359 6.9359 7.5094 7.5094 8.0478 8.0478 8.2873 8.2873 k = 0.0000 0.0000 0.2938 ( 4150 PWs) bands (ev): -35.9067 -35.9067 -17.1911 -17.1911 -16.8321 -16.8321 -16.7932 -16.7932 -7.7624 -7.7624 -7.3396 -7.3396 -2.1323 -2.1323 -2.0518 -2.0518 -1.8005 -1.8005 -1.7556 -1.7556 -1.6369 -1.6369 1.1910 1.1910 2.5034 2.5034 2.6491 2.6491 2.6773 2.6773 3.7868 3.7868 4.0006 4.0006 7.0032 7.0032 7.5807 7.5807 8.0075 8.0075 8.1971 8.1971 k = 0.0000 0.0000 0.3071 ( 4146 PWs) bands (ev): -35.9067 -35.9067 -17.1911 -17.1911 -16.8321 -16.8321 -16.7932 -16.7932 -7.7585 -7.7585 -7.3438 -7.3438 -2.1322 -2.1322 -2.0521 -2.0521 -1.8008 -1.8008 -1.7554 -1.7554 -1.6372 -1.6372 1.1997 1.1997 2.5020 2.5020 2.6333 2.6333 2.6741 2.6741 3.7895 3.7895 4.0037 4.0037 7.0564 7.0564 7.6484 7.6484 7.9753 7.9753 8.1134 8.1134 k = 0.0000 0.0000 0.3205 ( 4154 PWs) bands (ev): -35.9067 -35.9067 -17.1911 -17.1911 -16.8321 -16.8321 -16.7932 -16.7932 -7.7561 -7.7561 -7.3464 -7.3464 -2.1322 -2.1322 -2.0523 -2.0523 -1.8010 -1.8010 -1.7553 -1.7553 -1.6373 -1.6373 1.2050 1.2050 2.5012 2.5012 2.6233 2.6233 2.6726 2.6726 3.7911 3.7911 4.0056 4.0056 7.0910 7.0910 7.7037 7.7037 7.9573 7.9573 8.0444 8.0444 k = 0.0000 0.0000 0.3339 ( 4154 PWs) bands (ev): -35.9067 -35.9067 -17.1911 -17.1911 -16.8321 -16.8321 -16.7932 -16.7932 -7.7553 -7.7553 -7.3473 -7.3473 -2.1322 -2.1322 -2.0523 -2.0523 -1.8010 -1.8010 -1.7553 -1.7553 -1.6374 -1.6374 1.2068 1.2068 2.5010 2.5010 2.6198 2.6198 2.6721 2.6721 3.7916 3.7916 4.0063 4.0063 7.1030 7.1030 7.7271 7.7271 7.9547 7.9547 8.0124 8.0124 k = 0.0000 0.0000 0.3339 ( 4154 PWs) bands (ev): -35.9067 -35.9067 -17.1911 -17.1911 -16.8321 -16.8321 -16.7932 -16.7932 -7.7553 -7.7553 -7.3473 -7.3473 -2.1322 -2.1322 -2.0523 -2.0523 -1.8010 -1.8010 -1.7553 -1.7553 -1.6374 -1.6374 1.2068 1.2068 2.5010 2.5010 2.6198 2.6198 2.6721 2.6721 3.7916 3.7916 4.0063 4.0063 7.1030 7.1030 7.7271 7.7271 7.9547 7.9547 8.0124 8.0124 k = 0.0000 0.0135 0.3339 ( 4154 PWs) bands (ev): -35.9067 -35.9067 -17.1914 -17.1908 -16.8322 -16.8322 -16.7936 -16.7929 -7.7549 -7.7548 -7.3472 -7.3471 -2.1322 -2.1321 -2.0552 -2.0492 -1.8045 -1.7974 -1.7552 -1.7551 -1.6379 -1.6368 1.2031 1.2083 2.4830 2.4941 2.6034 2.6185 2.6830 2.7000 3.7897 3.7911 4.0036 4.0060 7.1036 7.1096 7.7289 7.7319 7.9508 7.9557 8.0120 8.0123 k = 0.0000 0.0270 0.3339 ( 4158 PWs) bands (ev): -35.9067 -35.9067 -17.1918 -17.1906 -16.8323 -16.8323 -16.7939 -16.7926 -7.7536 -7.7534 -7.3468 -7.3467 -2.1321 -2.1319 -2.0579 -2.0460 -1.8078 -1.7937 -1.7549 -1.7547 -1.6386 -1.6363 1.1969 1.2074 2.4436 2.4660 2.5948 2.6078 2.7208 2.7379 3.7853 3.7881 3.9981 4.0029 7.1109 7.1230 7.7375 7.7436 7.9436 7.9535 8.0114 8.0123 k = 0.0000 0.0405 0.3339 ( 4146 PWs) bands (ev): -35.9067 -35.9067 -17.1922 -17.1904 -16.8325 -16.8325 -16.7941 -16.7922 -7.7515 -7.7511 -7.3461 -7.3459 -2.1320 -2.1315 -2.0603 -2.0424 -1.8108 -1.7900 -1.7541 -1.7541 -1.6391 -1.6357 1.1882 1.2041 2.3914 2.4234 2.5938 2.6036 2.7629 2.7774 3.7782 3.7825 3.9902 3.9971 7.1238 7.1418 7.7535 7.7625 7.9332 7.9478 8.0120 8.0134 k = 0.0000 0.0541 0.3339 ( 4142 PWs) bands (ev): -35.9067 -35.9067 -17.1926 -17.1903 -16.8328 -16.8328 -16.7943 -16.7919 -7.7484 -7.7479 -7.3451 -7.3449 -2.1317 -2.1310 -2.0626 -2.0387 -1.8136 -1.7864 -1.7533 -1.7530 -1.6397 -1.6352 1.1770 1.1983 2.3326 2.3727 2.5969 2.6047 2.8048 2.8165 3.7683 3.7742 3.9805 3.9892 7.1400 7.1636 7.7774 7.7892 7.9204 7.9387 8.0147 8.0163 k = 0.0000 0.0676 0.3339 ( 4144 PWs) bands (ev): -35.9066 -35.9066 -17.1931 -17.1902 -16.8332 -16.8331 -16.7946 -16.7915 -7.7445 -7.7438 -7.3438 -7.3436 -2.1315 -2.1304 -2.0648 -2.0348 -1.8162 -1.7831 -1.7524 -1.7513 -1.6402 -1.6348 1.1630 1.1897 2.2700 2.3174 2.6025 2.6091 2.8452 2.8544 3.7555 3.7629 3.9696 3.9797 7.1570 7.1855 7.8104 7.8245 7.9069 7.9276 8.0203 8.0213 k = 0.0000 0.0811 0.3339 ( 4142 PWs) bands (ev): -35.9066 -35.9066 -17.1936 -17.1902 -16.8337 -16.8335 -16.7948 -16.7912 -7.7397 -7.7389 -7.3423 -7.3420 -2.1312 -2.1295 -2.0667 -2.0306 -1.8185 -1.7801 -1.7512 -1.7490 -1.6408 -1.6343 1.1459 1.1782 2.2052 2.2596 2.6100 2.6159 2.8838 2.8908 3.7397 3.7487 3.9581 3.9692 7.1717 7.2040 7.8516 7.8686 7.8966 7.9164 8.0285 8.0291 k = 0.0000 0.0946 0.3339 ( 4134 PWs) bands (ev): -35.9066 -35.9066 -17.1941 -17.1902 -16.8343 -16.8340 -16.7949 -16.7909 -7.7341 -7.7332 -7.3406 -7.3403 -2.1309 -2.1285 -2.0685 -2.0263 -1.8205 -1.7775 -1.7500 -1.7459 -1.6412 -1.6339 1.1256 1.1635 2.1394 2.2005 2.6193 2.6246 2.9203 2.9256 3.7211 3.7315 3.9465 3.9583 7.1812 7.2156 7.8764 7.9070 7.9169 7.9207 8.0383 8.0427 k = 0.0000 0.1081 0.3339 ( 4128 PWs) bands (ev): -35.9065 -35.9065 -17.1946 -17.1903 -16.8349 -16.8345 -16.7950 -16.7905 -7.7277 -7.7267 -7.3386 -7.3383 -2.1305 -2.1272 -2.0701 -2.0218 -1.8223 -1.7754 -1.7485 -1.7422 -1.6415 -1.6334 1.1019 1.1452 2.0735 2.1410 2.6300 2.6350 2.9549 2.9589 3.6998 3.7114 3.9352 3.9474 7.1832 7.2179 7.8749 7.9018 7.9744 7.9772 8.0526 8.0667 k = 0.0000 0.1216 0.3339 ( 4128 PWs) bands (ev): -35.9065 -35.9065 -17.1952 -17.1905 -16.8356 -16.8352 -16.7951 -16.7902 -7.7205 -7.7193 -7.3365 -7.3361 -2.1300 -2.1258 -2.0717 -2.0171 -1.8238 -1.7737 -1.7470 -1.7380 -1.6418 -1.6330 1.0743 1.1229 2.0084 2.0820 2.6422 2.6469 2.9876 2.9908 3.6763 3.6887 3.9244 3.9368 7.1764 7.2098 7.8765 7.9014 8.0157 8.0337 8.0864 8.1148 k = 0.0000 0.1351 0.3339 ( 4128 PWs) bands (ev): -35.9064 -35.9064 -17.1958 -17.1907 -16.8365 -16.8358 -16.7951 -16.7900 -7.7125 -7.7113 -7.3342 -7.3338 -2.1296 -2.1240 -2.0731 -2.0123 -1.8250 -1.7724 -1.7452 -1.7333 -1.6419 -1.6327 1.0429 1.0963 1.9450 2.0241 2.6557 2.6602 3.0185 3.0212 3.6511 3.6640 3.9140 3.9266 7.1607 7.1917 7.8836 7.9066 8.0408 8.0599 8.1623 8.1893 k = 0.0000 0.1486 0.3339 ( 4128 PWs) bands (ev): -35.9064 -35.9064 -17.1964 -17.1909 -16.8373 -16.8365 -16.7951 -16.7897 -7.7039 -7.7025 -7.3317 -7.3314 -2.1291 -2.1221 -2.0744 -2.0074 -1.8260 -1.7714 -1.7433 -1.7284 -1.6417 -1.6322 1.0074 1.0650 1.8841 1.9680 2.6705 2.6748 3.0476 3.0504 3.6250 3.6376 3.9041 3.9167 7.1368 7.1647 7.8962 7.9173 8.0597 8.0775 8.2561 8.2781 k = 0.0000 0.1622 0.3339 ( 4126 PWs) bands (ev): -35.9063 -35.9063 -17.1970 -17.1912 -16.8383 -16.8373 -16.7950 -16.7894 -7.6946 -7.6931 -7.3292 -7.3289 -2.1286 -2.1198 -2.0756 -2.0024 -1.8267 -1.7705 -1.7412 -1.7234 -1.6412 -1.6318 0.9678 1.0288 1.8265 1.9141 2.6866 2.6907 3.0751 3.0783 3.5984 3.6103 3.8945 3.9072 7.1060 7.1307 7.9133 7.9328 8.0771 8.0947 8.3566 8.3740 k = 0.0000 0.1757 0.3339 ( 4122 PWs) bands (ev): -35.9062 -35.9062 -17.1977 -17.1915 -16.8393 -16.8381 -16.7949 -16.7892 -7.6846 -7.6830 -7.3266 -7.3263 -2.1279 -2.1172 -2.0766 -1.9973 -1.8271 -1.7698 -1.7389 -1.7183 -1.6404 -1.6314 0.9242 0.9875 1.7726 1.8628 2.7038 2.7076 3.1008 3.1051 3.5722 3.5826 3.8851 3.8979 7.0698 7.0915 7.9341 7.9524 8.0949 8.1130 8.4597 8.4727 k = 0.0000 0.1892 0.3339 ( 4130 PWs) bands (ev): -35.9062 -35.9062 -17.1983 -17.1920 -16.8403 -16.8390 -16.7947 -16.7890 -7.6741 -7.6724 -7.3240 -7.3237 -2.1273 -2.1144 -2.0777 -1.9923 -1.8274 -1.7692 -1.7364 -1.7135 -1.6392 -1.6311 0.8768 0.9413 1.7228 1.8143 2.7221 2.7256 3.1249 3.1307 3.5468 3.5549 3.8757 3.8886 7.0297 7.0487 7.9574 7.9751 8.1137 8.1329 8.5619 8.5707 k = 0.0000 0.2027 0.3339 ( 4126 PWs) bands (ev): -35.9061 -35.9061 -17.1990 -17.1924 -16.8414 -16.8398 -16.7945 -16.7887 -7.6630 -7.6613 -7.3215 -7.3212 -2.1266 -2.1112 -2.0785 -1.9872 -1.8273 -1.7687 -1.7337 -1.7089 -1.6376 -1.6307 0.8260 0.8906 1.6771 1.7686 2.7413 2.7446 3.1472 3.1551 3.5228 3.5279 3.8663 3.8793 6.9868 7.0035 7.9825 8.0000 8.1342 8.1550 8.6598 8.6649 k = 0.0000 0.2162 0.3339 ( 4122 PWs) bands (ev): -35.9060 -35.9060 -17.1996 -17.1929 -16.8424 -16.8407 -16.7943 -16.7885 -7.6515 -7.6496 -7.3190 -7.3187 -2.1259 -2.1078 -2.0793 -1.9821 -1.8270 -1.7682 -1.7308 -1.7047 -1.6353 -1.6302 0.7722 0.8360 1.6354 1.7257 2.7615 2.7644 3.1677 3.1784 3.5008 3.5018 3.8567 3.8699 6.9424 6.9572 8.0083 8.0260 8.1568 8.1794 8.7480 8.7527 k = 0.0000 0.2297 0.3339 ( 4118 PWs) bands (ev): -35.9060 -35.9060 -17.2002 -17.1934 -16.8435 -16.8416 -16.7941 -16.7883 -7.6395 -7.6376 -7.3166 -7.3164 -2.1251 -2.1042 -2.0798 -1.9772 -1.8265 -1.7678 -1.7276 -1.7009 -1.6325 -1.6298 0.7161 0.7780 1.5974 1.6855 2.7826 2.7850 3.1862 3.2005 3.4772 3.4811 3.8469 3.8602 6.8972 6.9104 8.0340 8.0520 8.1823 8.2067 8.7361 8.7374 k = 0.0000 0.2432 0.3339 ( 4114 PWs) bands (ev): -35.9059 -35.9059 -17.2008 -17.1940 -16.8446 -16.8425 -16.7938 -16.7881 -7.6272 -7.6252 -7.3143 -7.3142 -2.1243 -2.1005 -2.0801 -1.9724 -1.8257 -1.7675 -1.7242 -1.6977 -1.6294 -1.6292 0.6583 0.7177 1.5626 1.6476 2.8044 2.8063 3.2027 3.2213 3.4543 3.4641 3.8369 3.8503 6.8522 6.8640 8.0590 8.0770 8.2112 8.2371 8.7011 8.7028 k = 0.0000 0.2568 0.3339 ( 4118 PWs) bands (ev): -35.9058 -35.9058 -17.2015 -17.1946 -16.8457 -16.8435 -16.7935 -16.7880 -7.6145 -7.6125 -7.3122 -7.3121 -2.1234 -2.0969 -2.0799 -1.9679 -1.8246 -1.7673 -1.7206 -1.6949 -1.6291 -1.6254 0.5994 0.6557 1.5306 1.6120 2.8267 2.8280 3.2170 3.2408 3.4333 3.4502 3.8265 3.8400 6.8077 6.8186 8.0827 8.1005 8.2438 8.2709 8.6663 8.6680 k = 0.0000 0.2703 0.3339 ( 4114 PWs) bands (ev): -35.9057 -35.9057 -17.2020 -17.1952 -16.8467 -16.8444 -16.7932 -16.7879 -7.6017 -7.5996 -7.3104 -7.3103 -2.1225 -2.0938 -2.0788 -1.9636 -1.8233 -1.7671 -1.7167 -1.6925 -1.6287 -1.6212 0.5401 0.5929 1.5011 1.5783 2.8497 2.8501 3.2291 3.2589 3.4145 3.4394 3.8157 3.8294 6.7645 6.7744 8.1047 8.1219 8.2803 8.3082 8.6320 8.6335 k = 0.0000 0.2838 0.3339 ( 4106 PWs) bands (ev): -35.9057 -35.9057 -17.2026 -17.1958 -16.8477 -16.8453 -16.7929 -16.7877 -7.5886 -7.5865 -7.3088 -7.3088 -2.1215 -2.0917 -2.0763 -1.9596 -1.8218 -1.7669 -1.7125 -1.6904 -1.6284 -1.6167 0.4810 0.5301 1.4738 1.5465 2.8725 2.8729 3.2392 3.2754 3.3980 3.4316 3.8046 3.8183 6.7228 6.7320 8.1250 8.1414 8.3203 8.3486 8.5984 8.5998 k = 0.0000 0.2973 0.3339 ( 4110 PWs) bands (ev): -35.9056 -35.9056 -17.2031 -17.1965 -16.8487 -16.8463 -16.7926 -16.7876 -7.5755 -7.5734 -7.3076 -7.3075 -2.1205 -2.0908 -2.0724 -1.9561 -1.8200 -1.7669 -1.7080 -1.6886 -1.6282 -1.6122 0.4226 0.4680 1.4482 1.5162 2.8950 2.8965 3.2476 3.2903 3.3842 3.4266 3.7931 3.8069 6.6830 6.6916 8.1437 8.1590 8.3636 8.3921 8.5656 8.5667 k = 0.0000 0.3108 0.3339 ( 4110 PWs) bands (ev): -35.9055 -35.9055 -17.2036 -17.1972 -16.8496 -16.8472 -16.7923 -16.7875 -7.5624 -7.5602 -7.3067 -7.3065 -2.1195 -2.0906 -2.0674 -1.9531 -1.8180 -1.7669 -1.7032 -1.6870 -1.6280 -1.6076 0.3656 0.4072 1.4243 1.4875 2.9174 2.9201 3.2548 3.3031 3.3732 3.4238 3.7813 3.7950 6.6454 6.6534 8.1608 8.1750 8.4095 8.4384 8.5342 8.5348 k = 0.0000 0.3243 0.3339 ( 4112 PWs) bands (ev): -35.9055 -35.9055 -17.2040 -17.1979 -16.8505 -16.8481 -16.7919 -16.7875 -7.5493 -7.5471 -7.3062 -7.3059 -2.1184 -2.0909 -2.0616 -1.9506 -1.8158 -1.7671 -1.6981 -1.6855 -1.6279 -1.6032 0.3103 0.3482 1.4020 1.4604 2.9395 2.9436 3.2612 3.3134 3.3655 3.4226 3.7691 3.7827 6.6101 6.6176 8.1763 8.1894 8.4566 8.4871 8.5042 8.5054 k = 0.0000 0.3378 0.3339 ( 4112 PWs) bands (ev): -35.9054 -35.9054 -17.2045 -17.1986 -16.8513 -16.8490 -16.7916 -16.7874 -7.5363 -7.5342 -7.3060 -7.3057 -2.1173 -2.0914 -2.0554 -1.9486 -1.8133 -1.7673 -1.6928 -1.6839 -1.6279 -1.5991 0.2574 0.2916 1.3811 1.4346 2.9612 2.9669 3.2676 3.3205 3.3619 3.4224 3.7566 3.7701 6.5774 6.5844 8.1904 8.2025 8.4702 8.4748 8.5138 8.5383 k = 0.0000 0.3514 0.3339 ( 4116 PWs) bands (ev): -35.9053 -35.9053 -17.2048 -17.1993 -16.8521 -16.8498 -16.7912 -16.7874 -7.5236 -7.5215 -7.3063 -7.3058 -2.1162 -2.0921 -2.0489 -1.9473 -1.8107 -1.7677 -1.6872 -1.6824 -1.6280 -1.5954 0.2072 0.2378 1.3617 1.4104 2.9824 2.9897 3.2743 3.3240 3.3626 3.4225 3.7439 3.7571 6.5473 6.5539 8.2032 8.2142 8.4447 8.4471 8.5650 8.5913 k = 0.0000 0.3649 0.3339 ( 4108 PWs) bands (ev): -35.9053 -35.9053 -17.2051 -17.1999 -16.8528 -16.8506 -16.7909 -16.7873 -7.5112 -7.5091 -7.3069 -7.3064 -2.1150 -2.0928 -2.0420 -1.9466 -1.8079 -1.7681 -1.6815 -1.6808 -1.6280 -1.5922 0.1601 0.1873 1.3437 1.3877 3.0027 3.0118 3.2816 3.3250 3.3664 3.4225 3.7311 3.7438 6.5199 6.5260 8.2147 8.2247 8.4194 8.4212 8.6198 8.6463 k = 0.0000 0.3784 0.3339 ( 4108 PWs) bands (ev): -35.9052 -35.9052 -17.2054 -17.2006 -16.8535 -16.8514 -16.7905 -16.7873 -7.4992 -7.4972 -7.3079 -7.3073 -2.1138 -2.0936 -2.0350 -1.9465 -1.8050 -1.7687 -1.6791 -1.6758 -1.6280 -1.5897 0.1165 0.1403 1.3273 1.3666 3.0221 3.0329 3.2898 3.3254 3.3714 3.4220 3.7183 3.7305 6.4953 6.5009 8.2249 8.2340 8.3958 8.3973 8.6767 8.7030 k = 0.0000 0.3919 0.3339 ( 4112 PWs) bands (ev): -35.9052 -35.9052 -17.2056 -17.2013 -16.8540 -16.8521 -16.7902 -16.7873 -7.4878 -7.4858 -7.3093 -7.3087 -2.1126 -2.0945 -2.0279 -1.9472 -1.8021 -1.7694 -1.6773 -1.6703 -1.6278 -1.5878 0.0766 0.0973 1.3125 1.3472 3.0404 3.0526 3.2987 3.3261 3.3766 3.4208 3.7056 3.7171 6.4734 6.4786 8.2340 8.2420 8.3741 8.3754 8.7353 8.7612 k = 0.0000 0.4054 0.3339 ( 4108 PWs) bands (ev): -35.9051 -35.9051 -17.2058 -17.2019 -16.8545 -16.8527 -16.7899 -16.7873 -7.4770 -7.4751 -7.3110 -7.3103 -2.1113 -2.0954 -2.0207 -1.9484 -1.7992 -1.7703 -1.6753 -1.6652 -1.6271 -1.5866 0.0408 0.0585 1.2994 1.3296 3.0574 3.0708 3.3084 3.3275 3.3816 3.4189 3.6933 3.7039 6.4543 6.4590 8.2418 8.2490 8.3546 8.3558 8.7953 8.8207 k = 0.0000 0.4189 0.3339 ( 4118 PWs) bands (ev): -35.9051 -35.9051 -17.2059 -17.2025 -16.8549 -16.8534 -16.7896 -16.7874 -7.4670 -7.4653 -7.3129 -7.3122 -2.1101 -2.0964 -2.0135 -1.9504 -1.7963 -1.7713 -1.6733 -1.6610 -1.6258 -1.5863 0.0093 0.0241 1.2880 1.3138 3.0730 3.0870 3.3183 3.3298 3.3860 3.4162 3.6816 3.6911 6.4380 6.4420 8.2486 8.2548 8.3374 8.3384 8.8566 8.8811 k = 0.0000 0.4324 0.3339 ( 4128 PWs) bands (ev): -35.9051 -35.9051 -17.2060 -17.2031 -16.8553 -16.8539 -16.7894 -16.7875 -7.4580 -7.4564 -7.3149 -7.3142 -2.1089 -2.0974 -2.0065 -1.9530 -1.7935 -1.7726 -1.6711 -1.6580 -1.6235 -1.5868 -0.0176 -0.0055 1.2786 1.2999 3.0871 3.1010 3.3282 3.3329 3.3899 3.4128 3.6708 3.6791 6.4243 6.4278 8.2543 8.2595 8.3227 8.3236 8.9185 8.9419 k = 0.0000 0.4459 0.3339 ( 4120 PWs) bands (ev): -35.9050 -35.9050 -17.2059 -17.2036 -16.8555 -16.8544 -16.7891 -16.7876 -7.4501 -7.4488 -7.3169 -7.3163 -2.1077 -2.0985 -1.9995 -1.9561 -1.7907 -1.7739 -1.6688 -1.6564 -1.6200 -1.5882 -0.0397 -0.0302 1.2711 1.2881 3.0994 3.1122 3.3366 3.3374 3.3932 3.4091 3.6613 3.6682 6.4133 6.4161 8.2590 8.2632 8.3106 8.3114 8.9804 9.0023 k = 0.0000 0.4595 0.3339 ( 4124 PWs) bands (ev): -35.9050 -35.9050 -17.2058 -17.2041 -16.8556 -16.8548 -16.7888 -16.7877 -7.4436 -7.4425 -7.3188 -7.3182 -2.1065 -2.0995 -1.9927 -1.9599 -1.7881 -1.7754 -1.6665 -1.6560 -1.6157 -1.5904 -0.0568 -0.0498 1.2657 1.2784 3.1098 3.1206 3.3409 3.3451 3.3957 3.4054 3.6535 3.6587 6.4049 6.4070 8.2627 8.2659 8.3011 8.3017 9.0407 9.0603 k = 0.0000 0.4730 0.3339 ( 4120 PWs) bands (ev): -35.9050 -35.9050 -17.2057 -17.2045 -16.8557 -16.8551 -16.7886 -16.7878 -7.4386 -7.4379 -7.3202 -7.3199 -2.1053 -2.1006 -1.9862 -1.9642 -1.7856 -1.7771 -1.6641 -1.6567 -1.6109 -1.5933 -0.0689 -0.0642 1.2623 1.2708 3.1182 3.1260 3.3454 3.3504 3.3974 3.4023 3.6477 3.6513 6.3990 6.4005 8.2654 8.2676 8.2944 8.2948 9.0964 9.1123 k = 0.0000 0.4865 0.3339 ( 4124 PWs) bands (ev): -35.9050 -35.9050 -17.2055 -17.2049 -16.8557 -16.8554 -16.7884 -16.7880 -7.4355 -7.4351 -7.3212 -7.3210 -2.1041 -2.1018 -1.9801 -1.9690 -1.7832 -1.7790 -1.6619 -1.6580 -1.6060 -1.5970 -0.0757 -0.0734 1.2611 1.2654 3.1242 3.1283 3.3494 3.3528 3.3984 3.4002 3.6445 3.6463 6.3957 6.3964 8.2673 8.2684 8.2904 8.2906 9.1407 9.1503 k = 0.0000 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7882 -16.7882 -7.4343 -7.4343 -7.3214 -7.3214 -2.1029 -2.1029 -1.9744 -1.9744 -1.7810 -1.7810 -1.6598 -1.6598 -1.6013 -1.6013 -0.0772 -0.0772 1.2621 1.2621 3.1277 3.1277 3.3522 3.3522 3.3992 3.3992 3.6440 3.6440 6.3948 6.3948 8.2683 8.2683 8.2891 8.2891 9.1619 9.1619 k = 0.0000 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7882 -16.7882 -7.4343 -7.4343 -7.3214 -7.3214 -2.1029 -2.1029 -1.9744 -1.9744 -1.7810 -1.7810 -1.6598 -1.6598 -1.6013 -1.6013 -0.0772 -0.0772 1.2621 1.2621 3.1277 3.1277 3.3522 3.3522 3.3992 3.3992 3.6440 3.6440 6.3948 6.3948 8.2683 8.2683 8.2891 8.2891 9.1619 9.1619 k = 0.0135 0.5000 0.3339 ( 4132 PWs) bands (ev): -35.9050 -35.9050 -17.2055 -17.2050 -16.8557 -16.8555 -16.7886 -16.7878 -7.4339 -7.4339 -7.3213 -7.3211 -2.1052 -2.1004 -1.9765 -1.9723 -1.7824 -1.7794 -1.6614 -1.6585 -1.6013 -1.6013 -0.0778 -0.0760 1.2633 1.2634 3.1191 3.1259 3.3511 3.3514 3.3951 3.3988 3.6417 3.6420 6.4013 6.4052 8.2677 8.2684 8.2856 8.2863 9.1619 9.1625 k = 0.0270 0.5000 0.3339 ( 4120 PWs) bands (ev): -35.9050 -35.9050 -17.2058 -17.2048 -16.8559 -16.8554 -16.7890 -16.7874 -7.4328 -7.4327 -7.3208 -7.3205 -2.1072 -2.0976 -1.9786 -1.9703 -1.7835 -1.7774 -1.6630 -1.6572 -1.6012 -1.6011 -0.0779 -0.0743 1.2669 1.2670 3.1000 3.1136 3.3480 3.3486 3.3871 3.3944 3.6352 3.6358 6.4244 6.4321 8.2667 8.2676 8.2763 8.2773 9.1625 9.1637 k = 0.0405 0.5000 0.3339 ( 4112 PWs) bands (ev): -35.9050 -35.9050 -17.2061 -17.2046 -16.8562 -16.8555 -16.7894 -16.7869 -7.4309 -7.4308 -7.3199 -7.3194 -2.1090 -2.0946 -1.9808 -1.9684 -1.7843 -1.7752 -1.6648 -1.6561 -1.6010 -1.6009 -0.0775 -0.0720 1.2729 1.2730 3.0703 3.0906 3.3430 3.3435 3.3765 3.3871 3.6245 3.6256 6.4632 6.4746 8.2579 8.2611 8.2665 8.2696 9.1638 9.1656 k = 0.0541 0.5000 0.3339 ( 4116 PWs) bands (ev): -35.9049 -35.9049 -17.2065 -17.2045 -16.8566 -16.8556 -16.7898 -16.7866 -7.4282 -7.4282 -7.3186 -7.3179 -2.1105 -2.0914 -1.9831 -1.9666 -1.7848 -1.7727 -1.6667 -1.6552 -1.6008 -1.6007 -0.0766 -0.0693 1.2813 1.2814 3.0300 3.0567 3.3354 3.3359 3.3651 3.3779 3.6099 3.6117 6.5165 6.5312 8.2369 8.2409 8.2643 8.2681 9.1655 9.1679 k = 0.0676 0.5000 0.3339 ( 4108 PWs) bands (ev): -35.9049 -35.9049 -17.2069 -17.2044 -16.8570 -16.8558 -16.7902 -16.7862 -7.4249 -7.4248 -7.3169 -7.3161 -2.1118 -2.0880 -1.9853 -1.9649 -1.7851 -1.7699 -1.6688 -1.6543 -1.6005 -1.6003 -0.0753 -0.0661 1.2920 1.2921 2.9797 3.0123 3.3243 3.3268 3.3541 3.3674 3.5916 3.5943 6.5826 6.6002 8.2106 8.2153 8.2621 8.2665 9.1678 9.1708 k = 0.0811 0.5000 0.3339 ( 4108 PWs) bands (ev): -35.9049 -35.9049 -17.2073 -17.2044 -16.8574 -16.8560 -16.7906 -16.7859 -7.4208 -7.4207 -7.3149 -7.3139 -2.1128 -2.0844 -1.9876 -1.9633 -1.7850 -1.7669 -1.6710 -1.6536 -1.6001 -1.5999 -0.0737 -0.0625 1.3051 1.3052 2.9206 2.9585 3.3106 3.3158 3.3436 3.3561 3.5699 3.5739 6.6596 6.6797 8.1800 8.1855 8.2594 8.2643 9.1706 9.1741 k = 0.0946 0.5000 0.3339 ( 4108 PWs) bands (ev): -35.9048 -35.9048 -17.2078 -17.2044 -16.8579 -16.8564 -16.7910 -16.7856 -7.4161 -7.4160 -7.3125 -7.3113 -2.1135 -2.0806 -1.9900 -1.9617 -1.7848 -1.7636 -1.6732 -1.6530 -1.5996 -1.5995 -0.0720 -0.0587 1.3205 1.3206 2.8542 2.8966 3.2951 3.3028 3.3329 3.3437 3.5452 3.5510 6.7455 6.7677 8.1461 8.1523 8.2560 8.2613 9.1739 9.1778 k = 0.1081 0.5000 0.3339 ( 4108 PWs) bands (ev): -35.9048 -35.9048 -17.2083 -17.2045 -16.8585 -16.8568 -16.7913 -16.7854 -7.4107 -7.4105 -7.3098 -7.3085 -2.1140 -2.0766 -1.9923 -1.9603 -1.7843 -1.7601 -1.6756 -1.6524 -1.5992 -1.5991 -0.0701 -0.0547 1.3381 1.3382 2.7820 2.8286 3.2781 3.2879 3.3212 3.3299 3.5181 3.5262 6.8383 6.8622 8.1096 8.1166 8.2515 8.2572 9.1777 9.1819 k = 0.1216 0.5000 0.3339 ( 4108 PWs) bands (ev): -35.9047 -35.9047 -17.2088 -17.2046 -16.8591 -16.8573 -16.7916 -16.7851 -7.4047 -7.4045 -7.3067 -7.3053 -2.1141 -2.0724 -1.9946 -1.9589 -1.7835 -1.7563 -1.6780 -1.6519 -1.5986 -1.5986 -0.0682 -0.0507 1.3580 1.3580 2.7057 2.7560 3.2598 3.2711 3.3080 3.3142 3.4890 3.5003 6.9360 6.9612 8.0714 8.0792 8.2460 8.2519 9.1820 9.1863 k = 0.1351 0.5000 0.3339 ( 4112 PWs) bands (ev): -35.9047 -35.9047 -17.2093 -17.2047 -16.8597 -16.8579 -16.7919 -16.7849 -7.3981 -7.3979 -7.3034 -7.3018 -2.1140 -2.0681 -1.9970 -1.9576 -1.7825 -1.7523 -1.6805 -1.6515 -1.5981 -1.5981 -0.0666 -0.0469 1.3800 1.3801 2.6268 2.6804 3.2400 3.2520 3.2929 3.2964 3.4586 3.4738 7.0367 7.0627 8.0323 8.0410 8.2391 8.2451 9.1868 9.1912 k = 0.1486 0.5000 0.3339 ( 4112 PWs) bands (ev): -35.9046 -35.9046 -17.2098 -17.2049 -16.8604 -16.8585 -16.7922 -16.7847 -7.3909 -7.3907 -7.2997 -7.2980 -2.1136 -2.0635 -1.9993 -1.9564 -1.7813 -1.7481 -1.6830 -1.6510 -1.5976 -1.5975 -0.0654 -0.0434 1.4041 1.4042 2.5465 2.6034 3.2186 3.2306 3.2754 3.2763 3.4278 3.4475 7.1385 7.1648 7.9933 8.0030 8.2305 8.2367 9.1922 9.1964 k = 0.1622 0.5000 0.3339 ( 4108 PWs) bands (ev): -35.9046 -35.9046 -17.2103 -17.2052 -16.8611 -16.8592 -16.7923 -16.7846 -7.3833 -7.3831 -7.2959 -7.2941 -2.1129 -2.0588 -2.0015 -1.9553 -1.7798 -1.7438 -1.6854 -1.6504 -1.5971 -1.5968 -0.0647 -0.0404 1.4302 1.4304 2.4662 2.5262 3.1955 3.2064 3.2538 3.2551 3.3971 3.4218 7.2396 7.2654 7.9551 7.9661 8.2201 8.2263 9.1978 9.2019 k = 0.1757 0.5000 0.3339 ( 4108 PWs) bands (ev): -35.9045 -35.9045 -17.2109 -17.2055 -16.8618 -16.8599 -16.7925 -16.7845 -7.3752 -7.3750 -7.2918 -7.2899 -2.1120 -2.0539 -2.0038 -1.9542 -1.7782 -1.7393 -1.6878 -1.6499 -1.5966 -1.5962 -0.0648 -0.0382 1.4582 1.4586 2.3870 2.4499 3.1707 3.1792 3.2291 3.2316 3.3672 3.3970 7.3377 7.3622 7.9189 7.9316 8.2074 8.2137 9.2024 9.2071 k = 0.1892 0.5000 0.3339 ( 4104 PWs) bands (ev): -35.9044 -35.9044 -17.2114 -17.2058 -16.8626 -16.8607 -16.7926 -16.7843 -7.3667 -7.3665 -7.2875 -7.2855 -2.1107 -2.0489 -2.0060 -1.9532 -1.7764 -1.7347 -1.6900 -1.6492 -1.5962 -1.5955 -0.0659 -0.0370 1.4881 1.4888 2.3097 2.3756 3.1439 3.1491 3.2027 3.2050 3.3387 3.3731 7.4306 7.4525 7.8862 7.9013 8.1921 8.1985 9.2006 9.2082 k = 0.2027 0.5000 0.3339 ( 4116 PWs) bands (ev): -35.9044 -35.9044 -17.2120 -17.2062 -16.8634 -16.8616 -16.7927 -16.7843 -7.3579 -7.3577 -7.2830 -7.2810 -2.1093 -2.0438 -2.0082 -1.9522 -1.7744 -1.7302 -1.6921 -1.6485 -1.5957 -1.5948 -0.0681 -0.0370 1.5198 1.5207 2.2355 2.3040 3.1152 3.1161 3.1748 3.1753 3.3114 3.3498 7.5148 7.5324 7.8594 7.8783 8.1740 8.1804 9.1913 9.1992 k = 0.2162 0.5000 0.3339 ( 4112 PWs) bands (ev): -35.9043 -35.9043 -17.2126 -17.2066 -16.8642 -16.8625 -16.7926 -16.7842 -7.3488 -7.3486 -7.2784 -7.2763 -2.1076 -2.0386 -2.0104 -1.9513 -1.7723 -1.7258 -1.6937 -1.6476 -1.5953 -1.5940 -0.0718 -0.0385 1.5532 1.5543 2.1649 2.2361 3.0808 3.0846 3.1432 3.1455 3.2852 3.3268 7.5846 7.5955 7.8436 7.8679 8.1529 8.1594 9.1820 9.1893 k = 0.2297 0.5000 0.3339 ( 4124 PWs) bands (ev): -35.9042 -35.9042 -17.2131 -17.2071 -16.8650 -16.8634 -16.7926 -16.7842 -7.3395 -7.3393 -7.2737 -7.2716 -2.1056 -2.0333 -2.0125 -1.9505 -1.7701 -1.7219 -1.6947 -1.6465 -1.5949 -1.5933 -0.0771 -0.0417 1.5880 1.5896 2.0989 2.1725 3.0438 3.0524 3.1092 3.1148 3.2596 3.3038 7.6306 7.6340 7.8472 7.8772 8.1287 8.1353 9.1752 9.1820 k = 0.2432 0.5000 0.3339 ( 4124 PWs) bands (ev): -35.9042 -35.9042 -17.2137 -17.2075 -16.8658 -16.8644 -16.7926 -16.7842 -7.3300 -7.3298 -7.2689 -7.2668 -2.1034 -2.0279 -2.0145 -1.9496 -1.7678 -1.7189 -1.6946 -1.6452 -1.5946 -1.5925 -0.0841 -0.0468 1.6243 1.6262 2.0380 2.1139 3.0056 3.0188 3.0739 3.0828 3.2341 3.2805 7.6467 7.6474 7.8751 7.9070 8.1013 8.1082 9.1721 9.1783 k = 0.2568 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9041 -35.9041 -17.2142 -17.2080 -16.8666 -16.8653 -16.7925 -16.7842 -7.3205 -7.3202 -7.2641 -7.2621 -2.1010 -2.0228 -2.0162 -1.9488 -1.7655 -1.7171 -1.6930 -1.6437 -1.5942 -1.5918 -0.0929 -0.0541 1.6616 1.6641 1.9831 2.0608 2.9670 2.9842 3.0377 3.0495 3.2082 3.2565 7.6427 7.6439 7.9180 7.9479 8.0710 8.0782 9.1730 9.1786 k = 0.2703 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9040 -35.9040 -17.2147 -17.2086 -16.8674 -16.8663 -16.7923 -16.7843 -7.3109 -7.3107 -7.2593 -7.2573 -2.0984 -2.0201 -2.0153 -1.9481 -1.7631 -1.7167 -1.6897 -1.6419 -1.5940 -1.5910 -0.1037 -0.0636 1.6998 1.7026 1.9348 2.0138 2.9283 2.9490 3.0008 3.0149 3.1817 3.2318 7.6313 7.6318 7.9634 7.9902 8.0382 8.0461 9.1780 9.1830 k = 0.2838 0.5000 0.3339 ( 4124 PWs) bands (ev): -35.9040 -35.9040 -17.2151 -17.2091 -16.8682 -16.8672 -16.7921 -16.7843 -7.3013 -7.3011 -7.2546 -7.2525 -2.0957 -2.0213 -2.0105 -1.9473 -1.7607 -1.7173 -1.6853 -1.6398 -1.5937 -1.5902 -0.1165 -0.0755 1.7381 1.7406 1.8945 1.9736 2.8900 2.9135 2.9635 2.9791 3.1542 3.2060 7.6175 7.6177 7.9976 8.0031 8.0197 8.0290 9.1872 9.1915 k = 0.2973 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9039 -35.9039 -17.2156 -17.2097 -16.8690 -16.8681 -16.7919 -16.7844 -7.2919 -7.2917 -7.2499 -7.2479 -2.0928 -2.0231 -2.0051 -1.9465 -1.7583 -1.7184 -1.6801 -1.6374 -1.5936 -1.5894 -0.1311 -0.0896 1.7737 1.7752 1.8668 1.9417 2.8524 2.8782 2.9261 2.9422 3.1257 3.1793 7.6036 7.6045 7.9664 7.9713 8.0464 8.0618 9.2003 9.2039 k = 0.3108 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9038 -35.9038 -17.2160 -17.2103 -16.8698 -16.8690 -16.7917 -16.7844 -7.2827 -7.2825 -7.2453 -7.2434 -2.0898 -2.0249 -1.9996 -1.9458 -1.7560 -1.7199 -1.6744 -1.6346 -1.5935 -1.5887 -0.1474 -0.1059 1.7870 1.8073 1.8664 1.9217 2.8160 2.8432 2.8889 2.9043 3.0960 3.1514 7.5913 7.5928 7.9288 7.9344 8.0759 8.0882 9.2169 9.2198 k = 0.3243 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9038 -35.9037 -17.2164 -17.2109 -16.8705 -16.8699 -16.7914 -16.7845 -7.2738 -7.2736 -7.2408 -7.2390 -2.0868 -2.0268 -1.9942 -1.9451 -1.7538 -1.7215 -1.6684 -1.6316 -1.5934 -1.5879 -0.1651 -0.1242 1.7772 1.8255 1.8964 1.9221 2.7809 2.8084 2.8526 2.8656 3.0651 3.1224 7.5811 7.5831 7.8908 7.8966 8.0992 8.1080 9.2363 9.2384 k = 0.3378 0.5000 0.3339 ( 4136 PWs) bands (ev): -35.9037 -35.9037 -17.2167 -17.2115 -16.8713 -16.8707 -16.7911 -16.7847 -7.2651 -7.2650 -7.2366 -7.2348 -2.0837 -2.0287 -1.9889 -1.9444 -1.7517 -1.7231 -1.6624 -1.6282 -1.5935 -1.5871 -0.1841 -0.1441 1.7637 1.8262 1.9372 1.9462 2.7473 2.7735 2.8179 2.8264 3.0329 3.0922 7.5733 7.5757 7.8531 7.8588 8.1161 8.1217 9.2574 9.2587 k = 0.3514 0.5000 0.3339 ( 4144 PWs) bands (ev): -35.9036 -35.9036 -17.2171 -17.2121 -16.8720 -16.8716 -16.7908 -16.7848 -7.2569 -7.2568 -7.2325 -7.2308 -2.0806 -2.0305 -1.9838 -1.9437 -1.7498 -1.7247 -1.6562 -1.6245 -1.5936 -1.5864 -0.2038 -0.1653 1.7532 1.8201 1.9815 1.9827 2.7155 2.7384 2.7857 2.7869 2.9994 3.0609 7.5679 7.5706 7.8163 7.8218 8.1272 8.1300 9.2791 9.2795 k = 0.3649 0.5000 0.3339 ( 4144 PWs) bands (ev): -35.9036 -35.9036 -17.2173 -17.2127 -16.8726 -16.8723 -16.7905 -16.7850 -7.2492 -7.2491 -7.2286 -7.2271 -2.0775 -2.0323 -1.9788 -1.9431 -1.7480 -1.7263 -1.6501 -1.6206 -1.5938 -1.5857 -0.2238 -0.1873 1.7471 1.8144 2.0238 2.0273 2.6857 2.7029 2.7473 2.7568 2.9647 3.0287 7.5648 7.5677 7.7808 7.7861 8.1331 8.1336 9.2992 9.2998 k = 0.3784 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9035 -35.9035 -17.2175 -17.2132 -16.8732 -16.8729 -16.7902 -16.7851 -7.2419 -7.2419 -7.2250 -7.2236 -2.0744 -2.0341 -1.9740 -1.9426 -1.7463 -1.7277 -1.6440 -1.6164 -1.5940 -1.5850 -0.2438 -0.2096 1.7454 1.8111 2.0666 2.0740 2.6579 2.6674 2.7081 2.7315 2.9287 2.9955 7.5639 7.5669 7.7474 7.7524 8.1333 8.1346 9.3163 9.3178 k = 0.3919 0.5000 0.3339 ( 4132 PWs) bands (ev): -35.9035 -35.9035 -17.2177 -17.2138 -16.8737 -16.8736 -16.7898 -16.7853 -7.2353 -7.2353 -7.2217 -7.2204 -2.0715 -2.0359 -1.9695 -1.9422 -1.7448 -1.7290 -1.6381 -1.6122 -1.5944 -1.5844 -0.2631 -0.2317 1.7476 1.8104 2.1100 2.1212 2.6323 2.6325 2.6695 2.7098 2.8918 2.9616 7.5648 7.5679 7.7164 7.7210 8.1299 8.1326 9.3297 9.3319 k = 0.4054 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9034 -35.9034 -17.2178 -17.2143 -16.8742 -16.8741 -16.7895 -16.7855 -7.2294 -7.2294 -7.2186 -7.2175 -2.0685 -2.0377 -1.9654 -1.9418 -1.7435 -1.7303 -1.6325 -1.6080 -1.5949 -1.5838 -0.2813 -0.2530 1.7533 1.8119 2.1532 2.1684 2.5989 2.6092 2.6318 2.6917 2.8540 2.9273 7.5672 7.5703 7.6881 7.6923 8.1242 8.1278 9.3395 9.3422 k = 0.4189 0.5000 0.3339 ( 4124 PWs) bands (ev): -35.9034 -35.9034 -17.2179 -17.2148 -16.8747 -16.8746 -16.7892 -16.7857 -7.2242 -7.2241 -7.2159 -7.2150 -2.0657 -2.0395 -1.9615 -1.9417 -1.7423 -1.7314 -1.6272 -1.6040 -1.5954 -1.5833 -0.2978 -0.2731 1.7616 1.8151 2.1957 2.2153 2.5674 2.5886 2.5957 2.6771 2.8157 2.8928 7.5708 7.5738 7.6631 7.6668 8.1171 8.1212 9.3464 9.3492 k = 0.4324 0.5000 0.3339 ( 4124 PWs) bands (ev): -35.9034 -35.9034 -17.2179 -17.2153 -16.8750 -16.8750 -16.7888 -16.7859 -7.2198 -7.2197 -7.2134 -7.2127 -2.0630 -2.0413 -1.9579 -1.9417 -1.7412 -1.7325 -1.6223 -1.6005 -1.5958 -1.5830 -0.3124 -0.2913 1.7718 1.8190 2.2370 2.2616 2.5387 2.5609 2.5712 2.6659 2.7778 2.8586 7.5751 7.5779 7.6414 7.6446 8.1095 8.1136 9.3513 9.3537 k = 0.4459 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9033 -35.9033 -17.2179 -17.2158 -16.8754 -16.8753 -16.7885 -16.7861 -7.2162 -7.2161 -7.2112 -7.2108 -2.0604 -2.0431 -1.9548 -1.9420 -1.7402 -1.7335 -1.6179 -1.5988 -1.5949 -1.5829 -0.3245 -0.3074 1.7831 1.8228 2.2766 2.3065 2.5135 2.5283 2.5571 2.6569 2.7419 2.8252 7.5796 7.5821 7.6234 7.6260 8.1020 8.1059 9.3549 9.3565 k = 0.4595 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9033 -35.9033 -17.2178 -17.2162 -16.8756 -16.8756 -16.7882 -16.7864 -7.2136 -7.2134 -7.2094 -7.2092 -2.0579 -2.0450 -1.9520 -1.9425 -1.7393 -1.7344 -1.6139 -1.5995 -1.5922 -1.5830 -0.3338 -0.3208 1.7945 1.8256 2.3140 2.3488 2.4919 2.4975 2.5477 2.6460 2.7131 2.7933 7.5839 7.5859 7.6093 7.6113 8.0955 8.0987 9.3576 9.3583 k = 0.4730 0.5000 0.3339 ( 4116 PWs) bands (ev): -35.9033 -35.9033 -17.2176 -17.2166 -16.8758 -16.8758 -16.7878 -16.7866 -7.2118 -7.2116 -7.2079 -7.2078 -2.0555 -2.0470 -1.9495 -1.9432 -1.7385 -1.7353 -1.6104 -1.6008 -1.5896 -1.5834 -0.3400 -0.3312 1.8051 1.8266 2.3489 2.3869 2.4682 2.4738 2.5451 2.6257 2.7002 2.7640 7.5875 7.5889 7.5993 7.6007 8.0905 8.0928 9.3593 9.3593 k = 0.4865 0.5000 0.3339 ( 4120 PWs) bands (ev): -35.9033 -35.9033 -17.2174 -17.2169 -16.8759 -16.8759 -16.7875 -16.7869 -7.2107 -7.2106 -7.2070 -7.2070 -2.0533 -2.0490 -1.9474 -1.9443 -1.7377 -1.7361 -1.6073 -1.6026 -1.5873 -1.5842 -0.3429 -0.3385 1.8142 1.8251 2.3811 2.4180 2.4398 2.4579 2.5522 2.5976 2.7037 2.7383 7.5899 7.5908 7.5933 7.5941 8.0876 8.0888 9.3598 9.3632 k = 0.5000 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2103 -7.2103 -7.2067 -7.2067 -2.0512 -2.0512 -1.9457 -1.9457 -1.7370 -1.7370 -1.6048 -1.6048 -1.5855 -1.5855 -0.3424 -0.3424 1.8210 1.8210 2.4112 2.4112 2.4408 2.4408 2.5706 2.5706 2.7176 2.7176 7.5910 7.5910 7.5917 7.5917 8.0870 8.0870 9.3599 9.3599 k = 0.5000 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2103 -7.2103 -7.2067 -7.2067 -2.0512 -2.0512 -1.9457 -1.9457 -1.7370 -1.7370 -1.6048 -1.6048 -1.5855 -1.5855 -0.3424 -0.3424 1.8210 1.8210 2.4112 2.4112 2.4408 2.4408 2.5706 2.5706 2.7176 2.7176 7.5910 7.5910 7.5917 7.5917 8.0870 8.0870 9.3599 9.3655 k = 0.4906 0.4906 0.3339 ( 4120 PWs) bands (ev): -35.9033 -35.9033 -17.2174 -17.2169 -16.8759 -16.8759 -16.7875 -16.7869 -7.2107 -7.2106 -7.2070 -7.2069 -2.0533 -2.0491 -1.9474 -1.9443 -1.7377 -1.7361 -1.6073 -1.6026 -1.5873 -1.5843 -0.3429 -0.3385 1.8143 1.8251 2.3819 2.4201 2.4389 2.4553 2.5531 2.5973 2.7038 2.7380 7.5908 7.5916 7.5919 7.5938 8.0876 8.0888 9.3597 9.3598 k = 0.4811 0.4811 0.3339 ( 4108 PWs) bands (ev): -35.9033 -35.9033 -17.2176 -17.2165 -16.8758 -16.8757 -16.7878 -16.7866 -7.2119 -7.2116 -7.2078 -7.2077 -2.0554 -2.0470 -1.9494 -1.9432 -1.7384 -1.7353 -1.6103 -1.6008 -1.5893 -1.5835 -0.3400 -0.3314 1.8052 1.8263 2.3524 2.3988 2.4539 2.4642 2.5531 2.6281 2.6986 2.7634 7.5906 7.5926 7.5940 7.5987 8.0905 8.0928 9.3577 9.3604 k = 0.4717 0.4717 0.3339 ( 4116 PWs) bands (ev): -35.9033 -35.9033 -17.2177 -17.2162 -16.8756 -16.8756 -16.7881 -16.7864 -7.2142 -7.2137 -7.2088 -7.2085 -2.0577 -2.0452 -1.9517 -1.9425 -1.7392 -1.7345 -1.6139 -1.5996 -1.5916 -1.5833 -0.3339 -0.3210 1.7940 1.8244 2.3234 2.3794 2.4387 2.4828 2.5707 2.6612 2.7040 2.7925 7.5905 7.5934 7.5991 7.6061 8.0955 8.0990 9.3534 9.3571 k = 0.4623 0.4623 0.3339 ( 4124 PWs) bands (ev): -35.9033 -35.9033 -17.2179 -17.2158 -16.8754 -16.8753 -16.7885 -16.7861 -7.2177 -7.2170 -7.2098 -7.2095 -2.0600 -2.0435 -1.9544 -1.9421 -1.7401 -1.7337 -1.6181 -1.5989 -1.5939 -1.5834 -0.3244 -0.3074 1.7809 1.8192 2.2951 2.3634 2.4170 2.4949 2.5977 2.6959 2.7200 2.8245 7.5905 7.5944 7.6066 7.6158 8.1026 8.1070 9.3479 9.3540 k = 0.4528 0.4528 0.3339 ( 4120 PWs) bands (ev): -35.9034 -35.9033 -17.2179 -17.2153 -16.8750 -16.8750 -16.7888 -16.7859 -7.2223 -7.2214 -7.2108 -7.2105 -2.0624 -2.0420 -1.9574 -1.9420 -1.7410 -1.7328 -1.6230 -1.5990 -1.5960 -1.5835 -0.3118 -0.2908 1.7661 1.8107 2.2680 2.3516 2.3937 2.5016 2.6296 2.7317 2.7451 2.8586 7.5908 7.5955 7.6166 7.6279 8.1112 8.1166 9.3415 9.3500 k = 0.4434 0.4434 0.3339 ( 4124 PWs) bands (ev): -35.9034 -35.9034 -17.2179 -17.2148 -16.8746 -16.8746 -16.7891 -16.7857 -7.2280 -7.2270 -7.2120 -7.2116 -2.0647 -2.0407 -1.9606 -1.9422 -1.7420 -1.7319 -1.6284 -1.6001 -1.5980 -1.5835 -0.2961 -0.2713 1.7500 1.7990 2.2421 2.3445 2.3705 2.5056 2.6645 2.7684 2.7766 2.8943 7.5913 7.5969 7.6290 7.6423 8.1209 8.1272 9.3342 9.3450 k = 0.4340 0.4340 0.3339 ( 4112 PWs) bands (ev): -35.9034 -35.9034 -17.2178 -17.2143 -16.8741 -16.8741 -16.7895 -16.7854 -7.2346 -7.2335 -7.2134 -7.2130 -2.0671 -2.0396 -1.9641 -1.9425 -1.7431 -1.7309 -1.6343 -1.6023 -1.5997 -1.5833 -0.2775 -0.2490 1.7326 1.7844 2.2175 2.3422 2.3482 2.5092 2.7011 2.8058 2.8121 2.9312 7.5921 7.5984 7.6438 7.6589 8.1311 8.1382 9.3262 9.3395 k = 0.4245 0.4245 0.3339 ( 4106 PWs) bands (ev): -35.9035 -35.9035 -17.2177 -17.2137 -16.8736 -16.8736 -16.7898 -16.7852 -7.2422 -7.2410 -7.2149 -7.2144 -2.0695 -2.0388 -1.9678 -1.9431 -1.7443 -1.7299 -1.6407 -1.6054 -1.6013 -1.5828 -0.2560 -0.2240 1.7145 1.7674 2.1943 2.3270 2.3446 2.5139 2.7390 2.8438 2.8500 2.9688 7.5932 7.6001 7.6609 7.6776 8.1412 8.1489 9.3177 9.3335 k = 0.4151 0.4151 0.3339 ( 4114 PWs) bands (ev): -35.9035 -35.9035 -17.2176 -17.2131 -16.8730 -16.8730 -16.7902 -16.7851 -7.2508 -7.2494 -7.2166 -7.2161 -2.0719 -2.0383 -1.9718 -1.9438 -1.7458 -1.7289 -1.6472 -1.6094 -1.6027 -1.5822 -0.2319 -0.1966 1.6957 1.7485 2.1726 2.3072 2.3515 2.5206 2.7777 2.8822 2.8892 3.0067 7.5946 7.6021 7.6801 7.6984 8.1502 8.1586 9.3086 9.3271 k = 0.4057 0.4057 0.3339 ( 4122 PWs) bands (ev): -35.9036 -35.9036 -17.2174 -17.2124 -16.8724 -16.8724 -16.7905 -16.7849 -7.2602 -7.2586 -7.2185 -7.2180 -2.0743 -2.0382 -1.9759 -1.9446 -1.7476 -1.7278 -1.6538 -1.6141 -1.6039 -1.5817 -0.2053 -0.1668 1.6768 1.7284 2.1524 2.2889 2.3626 2.5298 2.8170 2.9209 2.9291 3.0447 7.5964 7.6043 7.7014 7.7211 8.1574 8.1664 9.2990 9.3205 k = 0.3962 0.3962 0.3339 ( 4126 PWs) bands (ev): -35.9036 -35.9036 -17.2171 -17.2118 -16.8717 -16.8717 -16.7909 -16.7848 -7.2704 -7.2688 -7.2205 -7.2200 -2.0767 -2.0384 -1.9801 -1.9455 -1.7496 -1.7267 -1.6602 -1.6192 -1.6050 -1.5812 -0.1764 -0.1349 1.6579 1.7076 2.1339 2.2720 2.3774 2.5417 2.8566 2.9598 2.9689 3.0824 7.5986 7.6068 7.7246 7.7455 8.1619 8.1714 9.2889 9.3136 k = 0.3868 0.3868 0.3339 ( 4118 PWs) bands (ev): -35.9037 -35.9037 -17.2168 -17.2110 -16.8709 -16.8708 -16.7912 -16.7847 -7.2814 -7.2797 -7.2227 -7.2222 -2.0791 -2.0389 -1.9845 -1.9464 -1.7519 -1.7255 -1.6665 -1.6247 -1.6059 -1.5808 -0.1453 -0.1010 1.6394 1.6866 2.1169 2.2568 2.3957 2.5563 2.8965 2.9988 3.0084 3.1195 7.6011 7.6096 7.7496 7.7715 8.1629 8.1731 9.2782 9.3063 k = 0.3774 0.3774 0.3339 ( 4114 PWs) bands (ev): -35.9038 -35.9038 -17.2165 -17.2103 -16.8700 -16.8700 -16.7916 -16.7846 -7.2931 -7.2913 -7.2252 -7.2246 -2.0814 -2.0400 -1.9890 -1.9472 -1.7546 -1.7243 -1.6724 -1.6304 -1.6068 -1.5807 -0.1122 -0.0652 1.6217 1.6661 2.1016 2.2432 2.4170 2.5737 2.9364 3.0377 3.0471 3.1559 7.6041 7.6127 7.7759 7.7989 8.1601 8.1709 9.2666 9.2984 k = 0.3679 0.3679 0.3339 ( 4120 PWs) bands (ev): -35.9038 -35.9038 -17.2161 -17.2095 -16.8691 -16.8691 -16.7919 -16.7845 -7.3056 -7.3037 -7.2277 -7.2271 -2.0837 -2.0414 -1.9936 -1.9480 -1.7578 -1.7230 -1.6780 -1.6363 -1.6077 -1.5809 -0.0772 -0.0277 1.6049 1.6465 2.0880 2.2312 2.4410 2.5938 2.9761 3.0764 3.0849 3.1913 7.6074 7.6161 7.8034 7.8271 8.1533 8.1649 9.2541 9.2896 k = 0.3585 0.3585 0.3339 ( 4124 PWs) bands (ev): -35.9039 -35.9039 -17.2157 -17.2088 -16.8682 -16.8682 -16.7923 -16.7844 -7.3187 -7.3166 -7.2305 -7.2298 -2.0861 -2.0433 -1.9982 -1.9488 -1.7613 -1.7217 -1.6830 -1.6423 -1.6085 -1.5813 -0.0406 0.0114 1.5894 1.6280 2.0762 2.2208 2.4676 2.6165 3.0157 3.1149 3.1213 3.2254 7.6111 7.6198 7.8313 7.8556 8.1431 8.1555 9.2401 9.2793 k = 0.3491 0.3491 0.3339 ( 4128 PWs) bands (ev): -35.9040 -35.9040 -17.2153 -17.2080 -16.8672 -16.8672 -16.7926 -16.7844 -7.3323 -7.3302 -7.2334 -7.2327 -2.0884 -2.0455 -2.0029 -1.9494 -1.7652 -1.7204 -1.6876 -1.6483 -1.6093 -1.5820 -0.0025 0.0518 1.5755 1.6110 2.0660 2.2122 2.4965 2.6416 3.0550 3.1531 3.1563 3.2581 7.6152 7.6237 7.8589 7.8834 8.1308 8.1439 9.2241 9.2671 k = 0.3396 0.3396 0.3339 ( 4134 PWs) bands (ev): -35.9041 -35.9041 -17.2148 -17.2072 -16.8662 -16.8662 -16.7929 -16.7844 -7.3465 -7.3443 -7.2365 -7.2358 -2.0907 -2.0481 -2.0075 -1.9501 -1.7694 -1.7191 -1.6917 -1.6543 -1.6101 -1.5831 0.0370 0.0936 1.5632 1.5958 2.0577 2.2052 2.5274 2.6691 3.0938 3.1896 3.1908 3.2892 7.6196 7.6279 7.8844 7.9083 8.1188 8.1321 9.2055 9.2524 k = 0.3302 0.3302 0.3339 ( 4138 PWs) bands (ev): -35.9042 -35.9042 -17.2143 -17.2064 -16.8651 -16.8651 -16.7933 -16.7844 -7.3611 -7.3589 -7.2397 -7.2390 -2.0929 -2.0511 -2.0121 -1.9506 -1.7738 -1.7178 -1.6954 -1.6603 -1.6109 -1.5844 0.0777 0.1364 1.5528 1.5826 2.0511 2.1999 2.5603 2.6987 3.1320 3.2211 3.2279 3.3185 7.6243 7.6323 7.9055 7.9270 8.1113 8.1233 9.1839 9.2345 k = 0.3208 0.3208 0.3339 ( 4132 PWs) bands (ev): -35.9043 -35.9043 -17.2137 -17.2055 -16.8640 -16.8640 -16.7936 -16.7844 -7.3761 -7.3738 -7.2430 -7.2423 -2.0950 -2.0543 -2.0166 -1.9512 -1.7784 -1.7164 -1.6986 -1.6661 -1.6116 -1.5861 0.1194 0.1802 1.5445 1.5716 2.0463 2.1963 2.5948 2.7305 3.1696 3.2507 3.2644 3.3459 7.6293 7.6370 7.9185 7.9348 8.1137 8.1218 9.1587 9.2130 k = 0.3113 0.3113 0.3339 ( 4128 PWs) bands (ev): -35.9044 -35.9043 -17.2131 -17.2047 -16.8628 -16.8628 -16.7939 -16.7844 -7.3915 -7.3892 -7.2465 -7.2458 -2.0971 -2.0577 -2.0211 -1.9518 -1.7831 -1.7150 -1.7015 -1.6717 -1.6125 -1.5882 0.1621 0.2248 1.5385 1.5629 2.0433 2.1944 2.6309 2.7641 3.2064 3.2781 3.3003 3.3712 7.6346 7.6418 7.9205 7.9296 8.1289 8.1312 9.1295 9.1875 k = 0.3019 0.3019 0.3339 ( 4112 PWs) bands (ev): -35.9044 -35.9044 -17.2124 -17.2038 -16.8616 -16.8616 -16.7941 -16.7844 -7.4071 -7.4048 -7.2501 -7.2494 -2.0991 -2.0613 -2.0254 -1.9523 -1.7877 -1.7138 -1.7042 -1.6772 -1.6133 -1.5905 0.2055 0.2701 1.5348 1.5567 2.0421 2.1942 2.6683 2.7996 3.2421 3.3035 3.3353 3.3943 7.6400 7.6468 7.9120 7.9141 8.1518 8.1548 9.0961 9.1575 k = 0.2925 0.2925 0.3339 ( 4112 PWs) bands (ev): -35.9045 -35.9045 -17.2117 -17.2030 -16.8604 -16.8603 -16.7943 -16.7845 -7.4230 -7.4207 -7.2539 -7.2531 -2.1011 -2.0650 -2.0296 -1.9530 -1.7923 -1.7127 -1.7066 -1.6823 -1.6142 -1.5933 0.2496 0.3158 1.5335 1.5531 2.0427 2.1957 2.7070 2.8366 3.2765 3.3270 3.3695 3.4151 7.6457 7.6518 7.8927 7.8963 8.1809 8.1876 9.0582 9.1228 k = 0.2830 0.2830 0.3339 ( 4114 PWs) bands (ev): -35.9046 -35.9046 -17.2111 -17.2021 -16.8592 -16.8591 -16.7946 -16.7846 -7.4391 -7.4367 -7.2577 -7.2569 -2.1031 -2.0689 -2.0337 -1.9539 -1.7968 -1.7118 -1.7089 -1.6871 -1.6151 -1.5963 0.2941 0.3620 1.5348 1.5521 2.0452 2.1988 2.7467 2.8752 3.3087 3.3491 3.4026 3.4337 7.6514 7.6569 7.8686 7.8767 8.2155 8.2247 9.0157 9.0833 k = 0.2736 0.2736 0.3339 ( 4118 PWs) bands (ev): -35.9047 -35.9047 -17.2104 -17.2013 -16.8579 -16.8579 -16.7948 -16.7847 -7.4553 -7.4529 -7.2616 -7.2608 -2.1050 -2.0728 -2.0376 -1.9549 -1.8011 -1.7114 -1.7111 -1.6915 -1.6161 -1.5997 0.3390 0.4084 1.5387 1.5538 2.0495 2.2035 2.7872 2.9151 3.3370 3.3716 3.4342 3.4506 7.6572 7.6620 7.8440 7.8557 8.2536 8.2642 8.9685 9.0387 k = 0.2642 0.2642 0.3339 ( 4118 PWs) bands (ev): -35.9048 -35.9048 -17.2096 -17.2005 -16.8566 -16.8566 -16.7951 -16.7848 -7.4715 -7.4691 -7.2656 -7.2648 -2.1069 -2.0767 -2.0413 -1.9561 -1.8052 -1.7131 -1.7117 -1.6950 -1.6171 -1.6033 0.3841 0.4548 1.5452 1.5582 2.0557 2.2099 2.8284 2.9562 3.3587 3.3969 3.4587 3.4711 7.6630 7.6671 7.8199 7.8349 8.2940 8.3054 8.9168 8.9893 k = 0.2547 0.2547 0.3339 ( 4118 PWs) bands (ev): -35.9049 -35.9049 -17.2089 -17.1997 -16.8554 -16.8553 -16.7953 -16.7849 -7.4877 -7.4853 -7.2697 -7.2689 -2.1087 -2.0805 -2.0449 -1.9576 -1.8090 -1.7152 -1.7130 -1.6974 -1.6181 -1.6071 0.4292 0.5012 1.5544 1.5654 2.0637 2.2178 2.8699 2.9983 3.3736 3.4251 3.4716 3.4998 7.6687 7.6720 7.7974 7.8152 8.3357 8.3476 8.8606 8.9350 k = 0.2453 0.2453 0.3339 ( 4118 PWs) bands (ev): -35.9050 -35.9050 -17.2081 -17.1989 -16.8541 -16.8540 -16.7954 -16.7851 -7.5038 -7.5015 -7.2738 -7.2730 -2.1104 -2.0844 -2.0482 -1.9592 -1.8126 -1.7171 -1.7153 -1.6987 -1.6191 -1.6110 0.4742 0.5472 1.5663 1.5754 2.0735 2.2272 2.9116 3.0413 3.3833 3.4547 3.4804 3.5291 7.6743 7.6768 7.7769 7.7973 8.3783 8.3903 8.8003 8.8761 k = 0.2358 0.2358 0.3339 ( 4122 PWs) bands (ev): -35.9052 -35.9051 -17.2073 -17.1981 -16.8528 -16.8527 -16.7956 -16.7853 -7.5199 -7.5175 -7.2780 -7.2772 -2.1121 -2.0881 -2.0514 -1.9612 -1.8158 -1.7191 -1.7185 -1.6993 -1.6202 -1.6151 0.5189 0.5928 1.5808 1.5882 2.0851 2.2382 2.9531 3.0850 3.3889 3.4843 3.4867 3.5578 7.6797 7.6812 7.7588 7.7818 8.4212 8.4331 8.7363 8.8130 k = 0.2264 0.2264 0.3339 ( 4132 PWs) bands (ev): -35.9053 -35.9052 -17.2066 -17.1974 -16.8515 -16.8515 -16.7958 -16.7855 -7.5357 -7.5334 -7.2822 -7.2814 -2.1137 -2.0918 -2.0544 -1.9634 -1.8187 -1.7220 -1.7211 -1.6996 -1.6213 -1.6192 0.5633 0.6378 1.5981 1.6037 2.0986 2.2505 2.9939 3.1292 3.3909 3.4907 3.5135 3.5857 7.6847 7.6850 7.7435 7.7689 8.4639 8.4756 8.6691 8.7462 k = 0.2170 0.2170 0.3339 ( 4132 PWs) bands (ev): -35.9054 -35.9053 -17.2058 -17.1967 -16.8502 -16.8502 -16.7959 -16.7857 -7.5513 -7.5490 -7.2863 -7.2856 -2.1152 -2.0952 -2.0571 -1.9659 -1.8213 -1.7257 -1.7230 -1.6999 -1.6232 -1.6223 0.6072 0.6821 1.6179 1.6220 2.1137 2.2642 3.0336 3.1738 3.3894 3.4930 3.5421 3.6127 7.6881 7.6891 7.7311 7.7588 8.5058 8.5173 8.5996 8.6766 k = 0.2075 0.2075 0.3339 ( 4132 PWs) bands (ev): -35.9055 -35.9054 -17.2050 -17.1960 -16.8490 -16.8489 -16.7960 -16.7859 -7.5667 -7.5644 -7.2905 -7.2898 -2.1166 -2.0986 -2.0596 -1.9686 -1.8235 -1.7293 -1.7250 -1.7003 -1.6270 -1.6233 0.6504 0.7253 1.6404 1.6430 2.1306 2.2792 3.0714 3.2184 3.3846 3.4939 3.5701 3.6389 7.6902 7.6927 7.7217 7.7516 8.5278 8.5447 8.5581 8.6065 k = 0.1981 0.1981 0.3339 ( 4138 PWs) bands (ev): -35.9056 -35.9055 -17.2042 -17.1953 -16.8477 -16.8477 -16.7961 -16.7862 -7.5817 -7.5795 -7.2947 -7.2939 -2.1181 -2.1018 -2.0618 -1.9716 -1.8255 -1.7329 -1.7269 -1.7012 -1.6306 -1.6243 0.6927 0.7675 1.6653 1.6666 2.1491 2.2954 3.1066 3.2629 3.3765 3.4942 3.5975 3.6642 7.6907 7.6952 7.7155 7.7474 8.4562 8.5255 8.5911 8.5955 k = 0.1887 0.1887 0.3339 ( 4134 PWs) bands (ev): -35.9056 -35.9056 -17.2034 -17.1947 -16.8465 -16.8464 -16.7961 -16.7864 -7.5963 -7.5942 -7.2988 -7.2980 -2.1194 -2.1049 -2.0638 -1.9748 -1.8270 -1.7364 -1.7289 -1.7024 -1.6339 -1.6252 0.7341 0.8083 1.6928 1.6928 2.1692 2.3126 3.1379 3.3070 3.3652 3.4950 3.6242 3.6888 7.6890 7.6961 7.7125 7.7461 8.3850 8.4535 8.6242 8.6277 k = 0.1792 0.1792 0.3339 ( 4134 PWs) bands (ev): -35.9057 -35.9057 -17.2026 -17.1941 -16.8453 -16.8452 -16.7962 -16.7867 -7.6106 -7.6085 -7.3028 -7.3021 -2.1206 -2.1078 -2.0656 -1.9782 -1.8283 -1.7397 -1.7308 -1.7042 -1.6367 -1.6261 0.7745 0.8478 1.7215 1.7226 2.1908 2.3308 3.1639 3.3469 3.3545 3.4974 3.6504 3.7126 7.6844 7.6948 7.7124 7.7477 8.3157 8.3807 8.6457 8.6485 k = 0.1698 0.1698 0.3339 ( 4126 PWs) bands (ev): -35.9058 -35.9058 -17.2018 -17.1935 -16.8441 -16.8440 -16.7962 -16.7869 -7.6243 -7.6223 -7.3068 -7.3061 -2.1217 -2.1104 -2.0671 -1.9818 -1.8292 -1.7429 -1.7327 -1.7065 -1.6389 -1.6270 0.8136 0.8856 1.7526 1.7548 2.2137 2.3498 3.1829 3.3325 3.3940 3.5030 3.6760 3.7357 7.6759 7.6904 7.7152 7.7519 8.2502 8.3103 8.6267 8.6417 k = 0.1604 0.1604 0.3339 ( 4122 PWs) bands (ev): -35.9059 -35.9059 -17.2010 -17.1930 -16.8429 -16.8428 -16.7962 -16.7872 -7.6376 -7.6356 -7.3107 -7.3100 -2.1228 -2.1130 -2.0684 -1.9856 -1.8298 -1.7460 -1.7346 -1.7094 -1.6408 -1.6277 0.8514 0.9217 1.7861 1.7892 2.2378 2.3695 3.1937 3.3119 3.4357 3.5130 3.7011 3.7582 7.6621 7.6816 7.7206 7.7587 8.1902 8.2440 8.5648 8.5863 k = 0.1509 0.1509 0.3339 ( 4126 PWs) bands (ev): -35.9060 -35.9060 -17.2002 -17.1925 -16.8418 -16.8417 -16.7962 -16.7876 -7.6503 -7.6484 -7.3144 -7.3138 -2.1239 -2.1154 -2.0694 -1.9896 -1.8302 -1.7490 -1.7366 -1.7127 -1.6421 -1.6285 0.8877 0.9560 1.8218 1.8256 2.2630 2.3896 3.1955 3.2884 3.4760 3.5279 3.7259 3.7801 7.6418 7.6670 7.7285 7.7678 8.1378 8.1840 8.4860 8.5085 k = 0.1415 0.1415 0.3339 ( 4126 PWs) bands (ev): -35.9061 -35.9061 -17.1994 -17.1921 -16.8407 -16.8407 -16.7961 -16.7879 -7.6624 -7.6606 -7.3180 -7.3174 -2.1249 -2.1175 -2.0702 -1.9936 -1.8302 -1.7519 -1.7384 -1.7164 -1.6430 -1.6292 0.9224 0.9883 1.8596 1.8641 2.2891 2.4100 3.1887 3.2620 3.5147 3.5471 3.7503 3.8014 7.6138 7.6453 7.7388 7.7790 8.0945 8.1323 8.4042 8.4264 k = 0.1321 0.1321 0.3339 ( 4128 PWs) bands (ev): -35.9062 -35.9062 -17.1987 -17.1917 -16.8397 -16.8396 -16.7961 -16.7882 -7.6739 -7.6722 -7.3215 -7.3209 -2.1258 -2.1196 -2.0708 -1.9978 -1.8299 -1.7548 -1.7403 -1.7205 -1.6435 -1.6299 0.9555 1.0186 1.8993 1.9044 2.3157 2.4305 3.1743 3.2328 3.5514 3.5696 3.7745 3.8223 7.5781 7.6155 7.7510 7.7921 8.0609 8.0903 8.3239 8.3454 k = 0.1226 0.1226 0.3339 ( 4118 PWs) bands (ev): -35.9062 -35.9062 -17.1979 -17.1913 -16.8387 -16.8386 -16.7960 -16.7885 -7.6847 -7.6832 -7.3248 -7.3243 -2.1266 -2.1214 -2.0710 -2.0020 -1.8294 -1.7575 -1.7421 -1.7246 -1.6437 -1.6305 0.9868 1.0468 1.9409 1.9464 2.3428 2.4508 3.1536 3.2012 3.5858 3.5939 3.7984 3.8427 7.5357 7.5777 7.7650 7.8066 8.0366 8.0585 8.2469 8.2673 k = 0.1132 0.1132 0.3339 ( 4122 PWs) bands (ev): -35.9063 -35.9063 -17.1972 -17.1910 -16.8378 -16.8377 -16.7959 -16.7889 -7.6949 -7.6934 -7.3280 -7.3275 -2.1274 -2.1231 -2.0711 -2.0063 -1.8286 -1.7602 -1.7438 -1.7289 -1.6437 -1.6311 1.0163 1.0728 1.9842 1.9901 2.3701 2.4707 3.1277 3.1670 3.6178 3.6190 3.8220 3.8625 7.4883 7.5332 7.7803 7.8222 8.0201 8.0360 8.1741 8.1932 k = 0.1038 0.1038 0.3339 ( 4130 PWs) bands (ev): -35.9064 -35.9064 -17.1965 -17.1907 -16.8369 -16.8369 -16.7958 -16.7893 -7.7043 -7.7030 -7.3309 -7.3305 -2.1282 -2.1246 -2.0709 -2.0106 -1.8276 -1.7630 -1.7454 -1.7331 -1.6435 -1.6317 1.0438 1.0965 2.0291 2.0352 2.3972 2.4899 3.0974 3.1306 3.6438 3.6471 3.8453 3.8819 7.4382 7.4842 7.7966 7.8386 8.0097 8.0211 8.1062 8.1235 k = 0.0943 0.0943 0.3339 ( 4140 PWs) bands (ev): -35.9064 -35.9064 -17.1959 -17.1906 -16.8361 -16.8361 -16.7956 -16.7896 -7.7130 -7.7118 -7.3337 -7.3332 -2.1289 -2.1260 -2.0704 -2.0149 -1.8264 -1.7658 -1.7470 -1.7371 -1.6432 -1.6323 1.0694 1.1180 2.0752 2.0816 2.4239 2.5082 3.0635 3.0921 3.6676 3.6737 3.8681 3.9007 7.3875 7.4329 7.8131 7.8552 8.0036 8.0119 8.0440 8.0589 k = 0.0849 0.0849 0.3339 ( 4140 PWs) bands (ev): -35.9065 -35.9065 -17.1953 -17.1904 -16.8354 -16.8354 -16.7955 -16.7900 -7.7210 -7.7198 -7.3362 -7.3358 -2.1295 -2.1272 -2.0697 -2.0191 -1.8248 -1.7688 -1.7484 -1.7408 -1.6427 -1.6328 1.0929 1.1373 2.1226 2.1291 2.4500 2.5252 3.0266 3.0517 3.6898 3.6974 3.8902 3.9186 7.3378 7.3815 7.8291 7.8715 7.9865 7.9983 8.0025 8.0083 k = 0.0755 0.0755 0.3339 ( 4134 PWs) bands (ev): -35.9065 -35.9065 -17.1946 -17.1903 -16.8347 -16.8347 -16.7953 -16.7904 -7.7281 -7.7271 -7.3385 -7.3381 -2.1301 -2.1282 -2.0687 -2.0233 -1.8231 -1.7719 -1.7498 -1.7441 -1.6421 -1.6332 1.1143 1.1542 2.1708 2.1775 2.4750 2.5408 2.9872 3.0096 3.7103 3.7183 3.9112 3.9357 7.2907 7.3315 7.8422 7.8862 7.9399 7.9465 8.0012 8.0052 k = 0.0660 0.0660 0.3339 ( 4142 PWs) bands (ev): -35.9066 -35.9066 -17.1941 -17.1902 -16.8341 -16.8341 -16.7951 -16.7908 -7.7345 -7.7336 -7.3405 -7.3402 -2.1306 -2.1292 -2.0675 -2.0274 -1.8211 -1.7753 -1.7510 -1.7469 -1.6416 -1.6338 1.1336 1.1688 2.2196 2.2266 2.4990 2.5546 2.9456 2.9660 3.7286 3.7365 3.9309 3.9515 7.2472 7.2844 7.8444 7.8862 7.9087 7.9133 8.0019 8.0049 k = 0.0566 0.0566 0.3339 ( 4142 PWs) bands (ev): -35.9066 -35.9066 -17.1935 -17.1902 -16.8336 -16.8336 -16.7949 -16.7911 -7.7400 -7.7393 -7.3423 -7.3420 -2.1310 -2.1299 -2.0660 -2.0314 -1.8188 -1.7788 -1.7521 -1.7493 -1.6410 -1.6343 1.1507 1.1812 2.2687 2.2761 2.5215 2.5665 2.9022 2.9212 3.7446 3.7519 3.9489 3.9658 7.2084 7.2413 7.8251 7.8502 7.9044 7.9207 8.0036 8.0058 k = 0.0472 0.0472 0.3339 ( 4138 PWs) bands (ev): -35.9066 -35.9066 -17.1930 -17.1902 -16.8331 -16.8331 -16.7946 -16.7915 -7.7447 -7.7441 -7.3439 -7.3436 -2.1314 -2.1306 -2.0643 -2.0353 -1.8163 -1.7824 -1.7531 -1.7512 -1.6403 -1.6347 1.1657 1.1912 2.3177 2.3255 2.5426 2.5761 2.8575 2.8755 3.7584 3.7648 3.9649 3.9784 7.1748 7.2030 7.7972 7.8146 7.9135 7.9319 8.0056 8.0072 k = 0.0377 0.0377 0.3339 ( 4142 PWs) bands (ev): -35.9067 -35.9067 -17.1926 -17.1903 -16.8328 -16.8328 -16.7944 -16.7918 -7.7486 -7.7480 -7.3451 -7.3449 -2.1317 -2.1311 -2.0624 -2.0390 -1.8137 -1.7862 -1.7539 -1.7527 -1.6397 -1.6352 1.1784 1.1989 2.3656 2.3743 2.5623 2.5836 2.8119 2.8294 3.7698 3.7751 3.9785 3.9890 7.1471 7.1701 7.7717 7.7845 7.9249 7.9416 8.0077 8.0088 k = 0.0283 0.0283 0.3339 ( 4152 PWs) bands (ev): -35.9067 -35.9067 -17.1922 -17.1905 -16.8325 -16.8325 -16.7941 -16.7922 -7.7516 -7.7512 -7.3461 -7.3459 -2.1319 -2.1316 -2.0602 -2.0426 -1.8108 -1.7900 -1.7545 -1.7538 -1.6391 -1.6358 1.1889 1.2043 2.4113 2.4211 2.5810 2.5893 2.7661 2.7838 3.7788 3.7829 3.9896 3.9973 7.1258 7.1433 7.7514 7.7606 7.9356 7.9489 8.0095 8.0103 k = 0.0189 0.0189 0.3339 ( 4158 PWs) bands (ev): -35.9067 -35.9067 -17.1918 -17.1906 -16.8323 -16.8323 -16.7939 -16.7926 -7.7537 -7.7534 -7.3468 -7.3467 -2.1321 -2.1319 -2.0578 -2.0461 -1.8077 -1.7938 -1.7550 -1.7546 -1.6385 -1.6363 1.1971 1.2074 2.4525 2.4631 2.5945 2.5995 2.7216 2.7398 3.7855 3.7882 3.9980 4.0030 7.1112 7.1230 7.7370 7.7430 7.9444 7.9537 8.0110 8.0115 k = 0.0094 0.0094 0.3339 ( 4154 PWs) bands (ev): -35.9067 -35.9067 -17.1914 -17.1908 -16.8322 -16.8322 -16.7935 -16.7929 -7.7549 -7.7548 -7.3472 -7.3471 -2.1322 -2.1321 -2.0552 -2.0493 -1.8044 -1.7974 -1.7552 -1.7551 -1.6379 -1.6368 1.2031 1.2083 2.4848 2.4933 2.6038 2.6175 2.6829 2.7000 3.7898 3.7911 4.0036 4.0061 7.1036 7.1095 7.7288 7.7318 7.9509 7.9557 8.0120 8.0122 k = 0.0000 0.0000 0.3339 ( 4154 PWs) bands (ev): -35.9067 -35.9067 -17.1911 -17.1911 -16.8321 -16.8321 -16.7932 -16.7932 -7.7553 -7.7553 -7.3473 -7.3473 -2.1322 -2.1322 -2.0523 -2.0523 -1.8010 -1.8010 -1.7553 -1.7553 -1.6374 -1.6374 1.2068 1.2068 2.5010 2.5010 2.6198 2.6198 2.6721 2.6721 3.7916 3.7916 4.0063 4.0063 7.1030 7.1030 7.7271 7.7271 7.9547 7.9547 8.0124 8.0124 k = 0.0000 0.5000-0.0000 ( 4122 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3296 -7.3296 -2.1050 -2.1050 -1.9782 -1.9782 -1.7867 -1.7867 -1.6605 -1.6605 -1.6118 -1.6118 0.0350 0.0350 1.7397 1.7397 2.7394 2.7394 2.9250 2.9250 3.1932 3.1932 3.6370 3.6370 7.2911 7.2911 7.8195 7.8195 8.4776 8.4776 8.7310 8.7310 k = 0.0000 0.5000 0.0134 ( 4116 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3295 -7.3295 -2.1050 -2.1050 -1.9782 -1.9782 -1.7866 -1.7866 -1.6605 -1.6605 -1.6117 -1.6117 0.0345 0.0345 1.7367 1.7367 2.7426 2.7426 2.9264 2.9264 3.1936 3.1936 3.6370 3.6370 7.2860 7.2860 7.8210 7.8210 8.4820 8.4820 8.7288 8.7288 k = 0.0000 0.5000 0.0267 ( 4112 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3294 -7.3294 -2.1049 -2.1049 -1.9781 -1.9781 -1.7865 -1.7865 -1.6605 -1.6605 -1.6116 -1.6116 0.0331 0.0331 1.7281 1.7281 2.7521 2.7521 2.9307 2.9307 3.1945 3.1945 3.6369 3.6369 7.2711 7.2711 7.8254 7.8254 8.4950 8.4950 8.7223 8.7223 k = 0.0000 0.5000 0.0401 ( 4112 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3293 -7.3293 -2.1049 -2.1049 -1.9780 -1.9780 -1.7864 -1.7864 -1.6605 -1.6605 -1.6114 -1.6114 0.0308 0.0308 1.7142 1.7142 2.7675 2.7675 2.9377 2.9377 3.1962 3.1962 3.6367 3.6367 7.2470 7.2470 7.8326 7.8326 8.5157 8.5157 8.7117 8.7117 k = 0.0000 0.5000 0.0534 ( 4114 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3291 -7.3291 -2.1049 -2.1049 -1.9779 -1.9779 -1.7863 -1.7863 -1.6605 -1.6605 -1.6111 -1.6111 0.0276 0.0276 1.6958 1.6958 2.7878 2.7878 2.9475 2.9475 3.1986 3.1986 3.6364 3.6364 7.2150 7.2150 7.8426 7.8426 8.5431 8.5431 8.6972 8.6972 k = 0.0000 0.5000 0.0668 ( 4116 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3288 -7.3288 -2.1048 -2.1048 -1.9778 -1.9778 -1.7861 -1.7861 -1.6604 -1.6604 -1.6108 -1.6108 0.0237 0.0237 1.6735 1.6735 2.8122 2.8122 2.9599 2.9599 3.2017 3.2017 3.6361 3.6361 7.1763 7.1763 7.8553 7.8553 8.5759 8.5759 8.6794 8.6794 k = 0.0000 0.5000 0.0801 ( 4108 PWs) bands (ev): -35.9050 -35.9050 -17.2051 -17.2051 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3285 -7.3285 -2.1047 -2.1047 -1.9776 -1.9776 -1.7859 -1.7859 -1.6604 -1.6604 -1.6104 -1.6104 0.0189 0.0189 1.6483 1.6483 2.8397 2.8397 2.9750 2.9750 3.2055 3.2055 3.6357 3.6357 7.1322 7.1322 7.8706 7.8706 8.6126 8.6126 8.6591 8.6591 k = 0.0000 0.5000 0.0935 ( 4106 PWs) bands (ev): -35.9050 -35.9050 -17.2051 -17.2051 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3281 -7.3281 -2.1046 -2.1046 -1.9774 -1.9774 -1.7856 -1.7856 -1.6603 -1.6603 -1.6099 -1.6099 0.0136 0.0136 1.6208 1.6208 2.8690 2.8690 2.9927 2.9927 3.2102 3.2102 3.6353 3.6353 7.0840 7.0840 7.8884 7.8884 8.6327 8.6327 8.6559 8.6559 k = 0.0000 0.5000 0.1068 ( 4106 PWs) bands (ev): -35.9050 -35.9050 -17.2051 -17.2051 -16.8556 -16.8556 -16.7879 -16.7879 -7.4340 -7.4340 -7.3277 -7.3277 -2.1045 -2.1045 -1.9773 -1.9773 -1.7853 -1.7853 -1.6603 -1.6603 -1.6094 -1.6094 0.0077 0.0077 1.5918 1.5918 2.8991 2.8991 3.0129 3.0129 3.2158 3.2158 3.6350 3.6350 7.0328 7.0328 7.9084 7.9084 8.6091 8.6091 8.6964 8.6964 k = 0.0000 0.5000 0.1202 ( 4106 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7879 -16.7879 -7.4341 -7.4341 -7.3272 -7.3272 -2.1043 -2.1043 -1.9771 -1.9771 -1.7850 -1.7850 -1.6603 -1.6603 -1.6089 -1.6089 0.0013 0.0013 1.5620 1.5620 2.9289 2.9289 3.0358 3.0358 3.2225 3.2225 3.6346 3.6346 6.9796 6.9796 7.9306 7.9306 8.5828 8.5828 8.7393 8.7393 k = 0.0000 0.5000 0.1335 ( 4108 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7880 -16.7880 -7.4341 -7.4341 -7.3268 -7.3268 -2.1042 -2.1042 -1.9768 -1.9768 -1.7847 -1.7847 -1.6602 -1.6602 -1.6083 -1.6083 -0.0054 -0.0054 1.5319 1.5319 2.9573 2.9573 3.0610 3.0610 3.2303 3.2303 3.6343 3.6343 6.9252 6.9252 7.9546 7.9546 8.5554 8.5554 8.7827 8.7827 k = 0.0000 0.5000 0.1469 ( 4112 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7880 -16.7880 -7.4341 -7.4341 -7.3263 -7.3263 -2.1041 -2.1041 -1.9766 -1.9766 -1.7844 -1.7844 -1.6602 -1.6602 -1.6077 -1.6077 -0.0123 -0.0123 1.5020 1.5020 2.9837 2.9837 3.0883 3.0883 3.2393 3.2393 3.6342 3.6342 6.8706 6.8706 7.9801 7.9801 8.5277 8.5277 8.8256 8.8256 k = 0.0000 0.5000 0.1603 ( 4104 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7880 -16.7880 -7.4341 -7.4341 -7.3258 -7.3258 -2.1040 -2.1040 -1.9764 -1.9764 -1.7840 -1.7840 -1.6601 -1.6601 -1.6070 -1.6070 -0.0193 -0.0193 1.4728 1.4728 3.0076 3.0076 3.1171 3.1171 3.2497 3.2497 3.6341 3.6341 6.8163 6.8163 8.0069 8.0069 8.5001 8.5001 8.8675 8.8675 k = 0.0000 0.5000 0.1736 ( 4112 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7880 -16.7880 -7.4341 -7.4341 -7.3252 -7.3252 -2.1039 -2.1039 -1.9761 -1.9761 -1.7837 -1.7837 -1.6601 -1.6601 -1.6064 -1.6064 -0.0263 -0.0263 1.4446 1.4446 3.0290 3.0290 3.1466 3.1466 3.2614 3.2614 3.6342 3.6342 6.7631 6.7631 8.0347 8.0347 8.4729 8.4729 8.9078 8.9078 k = 0.0000 0.5000 0.1870 ( 4116 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7881 -16.7881 -7.4341 -7.4341 -7.3247 -7.3247 -2.1037 -2.1037 -1.9759 -1.9759 -1.7834 -1.7834 -1.6601 -1.6601 -1.6057 -1.6057 -0.0333 -0.0333 1.4176 1.4176 3.0477 3.0477 3.1758 3.1758 3.2746 3.2746 3.6344 3.6344 6.7116 6.7116 8.0628 8.0628 8.4466 8.4466 8.9461 8.9461 k = 0.0000 0.5000 0.2003 ( 4118 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7881 -16.7881 -7.4342 -7.4342 -7.3242 -7.3242 -2.1036 -2.1036 -1.9757 -1.9757 -1.7830 -1.7830 -1.6600 -1.6600 -1.6051 -1.6051 -0.0400 -0.0400 1.3923 1.3923 3.0639 3.0639 3.2041 3.2041 3.2890 3.2890 3.6349 3.6349 6.6623 6.6623 8.0911 8.0911 8.4215 8.4215 8.9820 8.9820 k = 0.0000 0.5000 0.2137 ( 4114 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7881 -16.7881 -7.4342 -7.4342 -7.3238 -7.3238 -2.1035 -2.1035 -1.9754 -1.9754 -1.7827 -1.7827 -1.6600 -1.6600 -1.6045 -1.6045 -0.0464 -0.0464 1.3687 1.3687 3.0779 3.0779 3.2308 3.2308 3.3043 3.3043 3.6355 3.6355 6.6158 6.6158 8.1190 8.1190 8.3980 8.3980 9.0151 9.0151 k = 0.0000 0.5000 0.2270 ( 4114 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7881 -16.7881 -7.4342 -7.4342 -7.3233 -7.3233 -2.1034 -2.1034 -1.9752 -1.9752 -1.7823 -1.7823 -1.6599 -1.6599 -1.6039 -1.6039 -0.0524 -0.0524 1.3472 1.3472 3.0896 3.0896 3.2554 3.2554 3.3200 3.3200 3.6364 3.6364 6.5726 6.5726 8.1460 8.1460 8.3763 8.3763 9.0453 9.0453 k = 0.0000 0.5000 0.2404 ( 4122 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7881 -16.7881 -7.4342 -7.4342 -7.3229 -7.3229 -2.1033 -2.1033 -1.9750 -1.9750 -1.7821 -1.7821 -1.6599 -1.6599 -1.6033 -1.6033 -0.0578 -0.0578 1.3278 1.3278 3.0994 3.0994 3.2775 3.2775 3.3358 3.3358 3.6374 3.6374 6.5331 6.5331 8.1716 8.1716 8.3566 8.3566 9.0723 9.0723 k = 0.0000 0.5000 0.2537 ( 4124 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7881 -16.7881 -7.4342 -7.4342 -7.3225 -7.3225 -2.1032 -2.1032 -1.9749 -1.9749 -1.7818 -1.7818 -1.6599 -1.6599 -1.6028 -1.6028 -0.0628 -0.0628 1.3107 1.3107 3.1075 3.1075 3.2970 3.2970 3.3508 3.3508 3.6386 3.6386 6.4979 6.4979 8.1952 8.1952 8.3391 8.3391 9.0958 9.0958 k = 0.0000 0.5000 0.2671 ( 4120 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7881 -16.7881 -7.4342 -7.4342 -7.3222 -7.3222 -2.1031 -2.1031 -1.9747 -1.9747 -1.7816 -1.7816 -1.6599 -1.6599 -1.6024 -1.6024 -0.0670 -0.0670 1.2961 1.2961 3.1140 3.1140 3.3137 3.3137 3.3646 3.3646 3.6399 3.6399 6.4672 6.4672 8.2162 8.2162 8.3241 8.3241 9.1159 9.1159 k = 0.0000 0.5000 0.2804 ( 4112 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8555 -16.8555 -16.7881 -16.7881 -7.4342 -7.4342 -7.3219 -7.3219 -2.1030 -2.1030 -1.9746 -1.9746 -1.7814 -1.7814 -1.6598 -1.6598 -1.6020 -1.6020 -0.0706 -0.0706 1.2840 1.2840 3.1191 3.1191 3.3274 3.3274 3.3765 3.3765 3.6411 3.6411 6.4416 6.4416 8.2343 8.2343 8.3116 8.3116 9.1325 9.1325 k = 0.0000 0.5000 0.2938 ( 4114 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8555 -16.8555 -16.7881 -16.7881 -7.4342 -7.4342 -7.3217 -7.3217 -2.1029 -2.1029 -1.9745 -1.9745 -1.7812 -1.7812 -1.6598 -1.6598 -1.6017 -1.6017 -0.0735 -0.0735 1.2745 1.2745 3.1229 3.1229 3.3382 3.3382 3.3862 3.3862 3.6423 3.6423 6.4214 6.4214 8.2489 8.2489 8.3018 8.3018 9.1453 9.1453 k = 0.0000 0.5000 0.3071 ( 4122 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7882 -16.7882 -7.4343 -7.4343 -7.3216 -7.3216 -2.1029 -2.1029 -1.9744 -1.9744 -1.7811 -1.7811 -1.6598 -1.6598 -1.6015 -1.6015 -0.0755 -0.0755 1.2676 1.2676 3.1256 3.1256 3.3460 3.3460 3.3933 3.3933 3.6432 3.6432 6.4067 6.4067 8.2596 8.2596 8.2947 8.2947 9.1545 9.1545 k = 0.0000 0.5000 0.3205 ( 4124 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7882 -16.7882 -7.4343 -7.4343 -7.3215 -7.3215 -2.1029 -2.1029 -1.9744 -1.9744 -1.7810 -1.7810 -1.6598 -1.6598 -1.6014 -1.6014 -0.0768 -0.0768 1.2635 1.2635 3.1271 3.1271 3.3507 3.3507 3.3977 3.3977 3.6438 3.6438 6.3978 6.3978 8.2661 8.2661 8.2905 8.2905 9.1601 9.1601 k = 0.0000 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9050 -35.9050 -17.2052 -17.2052 -16.8556 -16.8556 -16.7882 -16.7882 -7.4343 -7.4343 -7.3214 -7.3214 -2.1029 -2.1029 -1.9744 -1.9744 -1.7810 -1.7810 -1.6598 -1.6598 -1.6013 -1.6013 -0.0772 -0.0772 1.2621 1.2621 3.1277 3.1277 3.3522 3.3522 3.3992 3.3992 3.6440 3.6440 6.3948 6.3948 8.2683 8.2683 8.2891 8.2891 9.1619 9.1619 k = 0.5000 0.5000-0.0000 ( 4080 PWs) bands (ev): -35.9033 -35.9033 -17.2171 -17.2171 -16.8760 -16.8760 -16.7869 -16.7869 -7.2081 -7.2081 -7.2069 -7.2069 -2.0519 -2.0519 -1.9488 -1.9488 -1.7398 -1.7398 -1.6093 -1.6093 -1.5870 -1.5870 -0.4699 -0.4699 1.9653 1.9653 2.3131 2.3131 2.5155 2.5155 2.5509 2.5509 3.3541 3.3541 6.4569 6.4569 7.2686 7.2686 7.2768 7.2768 9.6200 9.6200 k = 0.5000 0.5000 0.0134 ( 4080 PWs) bands (ev): -35.9033 -35.9033 -17.2171 -17.2171 -16.8760 -16.8760 -16.7869 -16.7869 -7.2081 -7.2081 -7.2069 -7.2069 -2.0519 -2.0519 -1.9488 -1.9488 -1.7397 -1.7397 -1.6093 -1.6093 -1.5870 -1.5870 -0.4694 -0.4694 1.9661 1.9661 2.3114 2.3114 2.5153 2.5153 2.5505 2.5505 3.3524 3.3524 6.4615 6.4615 7.2698 7.2698 7.2780 7.2780 9.6108 9.6111 k = 0.5000 0.5000 0.0267 ( 4092 PWs) bands (ev): -35.9033 -35.9033 -17.2171 -17.2171 -16.8760 -16.8760 -16.7869 -16.7869 -7.2082 -7.2082 -7.2069 -7.2069 -2.0519 -2.0519 -1.9488 -1.9488 -1.7397 -1.7397 -1.6093 -1.6093 -1.5870 -1.5870 -0.4681 -0.4681 1.9685 1.9685 2.3065 2.3065 2.5146 2.5146 2.5494 2.5494 3.3475 3.3475 6.4751 6.4751 7.2734 7.2734 7.2815 7.2815 9.5998 9.5998 k = 0.5000 0.5000 0.0401 ( 4084 PWs) bands (ev): -35.9033 -35.9033 -17.2171 -17.2171 -16.8760 -16.8760 -16.7869 -16.7869 -7.2082 -7.2082 -7.2069 -7.2069 -2.0519 -2.0519 -1.9487 -1.9487 -1.7397 -1.7397 -1.6092 -1.6092 -1.5869 -1.5869 -0.4659 -0.4659 1.9724 1.9724 2.2984 2.2984 2.5135 2.5135 2.5476 2.5476 3.3392 3.3392 6.4977 6.4977 7.2794 7.2794 7.2874 7.2874 9.5874 9.5874 k = 0.5000 0.5000 0.0534 ( 4084 PWs) bands (ev): -35.9033 -35.9033 -17.2171 -17.2171 -16.8760 -16.8760 -16.7869 -16.7869 -7.2083 -7.2083 -7.2069 -7.2069 -2.0519 -2.0519 -1.9486 -1.9486 -1.7396 -1.7396 -1.6090 -1.6090 -1.5869 -1.5869 -0.4628 -0.4628 1.9777 1.9777 2.2874 2.2874 2.5120 2.5120 2.5453 2.5453 3.3278 3.3278 6.5290 6.5290 7.2877 7.2877 7.2955 7.2955 9.5739 9.5739 k = 0.5000 0.5000 0.0668 ( 4092 PWs) bands (ev): -35.9033 -35.9033 -17.2171 -17.2171 -16.8760 -16.8760 -16.7870 -16.7870 -7.2084 -7.2084 -7.2068 -7.2068 -2.0518 -2.0518 -1.9485 -1.9485 -1.7395 -1.7395 -1.6089 -1.6089 -1.5869 -1.5869 -0.4589 -0.4589 1.9843 1.9843 2.2738 2.2738 2.5100 2.5100 2.5425 2.5425 3.3132 3.3132 6.5687 6.5687 7.2981 7.2981 7.3058 7.3058 9.5593 9.5593 k = 0.5000 0.5000 0.0801 ( 4096 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7870 -16.7870 -7.2085 -7.2085 -7.2068 -7.2068 -2.0518 -2.0518 -1.9484 -1.9484 -1.7394 -1.7394 -1.6088 -1.6088 -1.5868 -1.5868 -0.4542 -0.4542 1.9918 1.9918 2.2583 2.2583 2.5077 2.5077 2.5393 2.5393 3.2956 3.2956 6.6164 6.6164 7.3105 7.3105 7.3180 7.3180 9.5440 9.5440 k = 0.5000 0.5000 0.0935 ( 4108 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7870 -16.7870 -7.2087 -7.2087 -7.2068 -7.2068 -2.0518 -2.0518 -1.9483 -1.9483 -1.7393 -1.7393 -1.6086 -1.6086 -1.5868 -1.5868 -0.4489 -0.4489 1.9998 1.9998 2.2415 2.2415 2.5050 2.5050 2.5360 2.5360 3.2752 3.2752 6.6718 6.6718 7.3248 7.3248 7.3320 7.3320 9.5282 9.5282 k = 0.5000 0.5000 0.1068 ( 4108 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7870 -16.7870 -7.2088 -7.2088 -7.2067 -7.2067 -2.0518 -2.0518 -1.9481 -1.9481 -1.7391 -1.7391 -1.6083 -1.6083 -1.5867 -1.5867 -0.4428 -0.4428 2.0076 2.0076 2.2245 2.2245 2.5019 2.5019 2.5325 2.5325 3.2521 3.2521 6.7344 6.7344 7.3407 7.3407 7.3477 7.3477 9.5124 9.5124 k = 0.5000 0.5000 0.1202 ( 4116 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7871 -16.7871 -7.2089 -7.2089 -7.2067 -7.2067 -2.0517 -2.0517 -1.9480 -1.9480 -1.7390 -1.7390 -1.6081 -1.6081 -1.5867 -1.5867 -0.4362 -0.4362 2.0139 2.0139 2.2089 2.2089 2.4986 2.4986 2.5290 2.5290 3.2265 3.2265 6.8036 6.8036 7.3580 7.3580 7.3647 7.3647 9.4966 9.4966 k = 0.5000 0.5000 0.1335 ( 4120 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7871 -16.7871 -7.2091 -7.2091 -7.2067 -7.2067 -2.0517 -2.0517 -1.9478 -1.9478 -1.7388 -1.7388 -1.6078 -1.6078 -1.5866 -1.5866 -0.4291 -0.4291 2.0171 2.0171 2.1967 2.1967 2.4950 2.4950 2.5256 2.5256 3.1986 3.1986 6.8789 6.8789 7.3765 7.3765 7.3829 7.3829 9.4812 9.4812 k = 0.5000 0.5000 0.1469 ( 4136 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2092 -7.2092 -7.2067 -7.2067 -2.0516 -2.0516 -1.9477 -1.9477 -1.7387 -1.7387 -1.6076 -1.6076 -1.5865 -1.5865 -0.4216 -0.4216 2.0154 2.0154 2.1902 2.1902 2.4912 2.4912 2.5223 2.5223 3.1685 3.1685 6.9597 6.9597 7.3959 7.3959 7.4019 7.4019 9.4663 9.4663 k = 0.5000 0.5000 0.1603 ( 4136 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2093 -7.2093 -7.2067 -7.2067 -2.0516 -2.0516 -1.9475 -1.9475 -1.7385 -1.7385 -1.6073 -1.6073 -1.5864 -1.5864 -0.4138 -0.4138 2.0074 2.0074 2.1910 2.1910 2.4872 2.4872 2.5193 2.5193 3.1366 3.1366 7.0455 7.0455 7.4159 7.4159 7.4215 7.4215 9.4521 9.4521 k = 0.5000 0.5000 0.1736 ( 4128 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2095 -7.2095 -7.2066 -7.2066 -2.0515 -2.0515 -1.9472 -1.9472 -1.7383 -1.7383 -1.6070 -1.6070 -1.5863 -1.5863 -0.4059 -0.4059 1.9937 1.9937 2.1990 2.1990 2.4832 2.4832 2.5166 2.5166 3.1030 3.1030 7.1355 7.1355 7.4362 7.4362 7.4414 7.4414 9.4388 9.4388 k = 0.5000 0.5000 0.1870 ( 4128 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2096 -7.2096 -7.2066 -7.2066 -2.0515 -2.0515 -1.9470 -1.9470 -1.7381 -1.7381 -1.6067 -1.6067 -1.5862 -1.5862 -0.3979 -0.3979 1.9758 1.9758 2.2128 2.2128 2.4791 2.4791 2.5144 2.5144 3.0680 3.0680 7.2290 7.2290 7.4565 7.4565 7.4613 7.4613 9.4263 9.4263 k = 0.5000 0.5000 0.2003 ( 4128 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2097 -7.2097 -7.2066 -7.2066 -2.0514 -2.0514 -1.9468 -1.9468 -1.7379 -1.7379 -1.6064 -1.6064 -1.5861 -1.5861 -0.3899 -0.3899 1.9557 1.9557 2.2309 2.2309 2.4750 2.4750 2.5127 2.5127 3.0318 3.0318 7.3251 7.3251 7.4765 7.4765 7.4810 7.4810 9.4149 9.4149 k = 0.5000 0.5000 0.2137 ( 4132 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2098 -7.2098 -7.2066 -7.2066 -2.0514 -2.0514 -1.9466 -1.9466 -1.7378 -1.7378 -1.6061 -1.6061 -1.5860 -1.5860 -0.3822 -0.3822 1.9346 1.9346 2.2519 2.2519 2.4710 2.4710 2.5119 2.5119 2.9947 2.9947 7.4221 7.4221 7.4961 7.4961 7.5008 7.5008 9.4045 9.4045 k = 0.5000 0.5000 0.2270 ( 4132 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2099 -7.2099 -7.2066 -7.2066 -2.0513 -2.0513 -1.9465 -1.9465 -1.7376 -1.7376 -1.6059 -1.6059 -1.5860 -1.5860 -0.3748 -0.3748 1.9138 1.9138 2.2749 2.2749 2.4670 2.4670 2.5120 2.5120 2.9571 2.9571 7.5035 7.5035 7.5151 7.5151 7.5358 7.5358 9.3951 9.3951 k = 0.5000 0.5000 0.2404 ( 4116 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8759 -16.8759 -16.7872 -16.7872 -7.2100 -7.2100 -7.2066 -7.2066 -2.0512 -2.0512 -1.9462 -1.9462 -1.7374 -1.7374 -1.6056 -1.6056 -1.5858 -1.5858 -0.3679 -0.3679 1.8941 1.8941 2.2989 2.2989 2.4631 2.4631 2.5135 2.5135 2.9193 2.9193 7.5283 7.5283 7.5323 7.5323 7.6262 7.6262 9.3869 9.3869 k = 0.5000 0.5000 0.2537 ( 4120 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8759 -16.8759 -16.7872 -16.7872 -7.2101 -7.2101 -7.2066 -7.2066 -2.0512 -2.0512 -1.9461 -1.9461 -1.7373 -1.7373 -1.6054 -1.6054 -1.5857 -1.5857 -0.3615 -0.3615 1.8759 1.8759 2.3230 2.3230 2.4593 2.4593 2.5167 2.5167 2.8815 2.8815 7.5445 7.5445 7.5474 7.5474 7.7222 7.7222 9.3797 9.3797 k = 0.5000 0.5000 0.2671 ( 4136 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7873 -16.7873 -7.2102 -7.2102 -7.2066 -7.2066 -2.0512 -2.0512 -1.9460 -1.9460 -1.7372 -1.7372 -1.6053 -1.6053 -1.5857 -1.5857 -0.3560 -0.3560 1.8598 1.8598 2.3461 2.3461 2.4556 2.4556 2.5221 2.5221 2.8445 2.8445 7.5582 7.5582 7.5605 7.5605 7.8147 7.8147 9.3736 9.3736 k = 0.5000 0.5000 0.2804 ( 4136 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7873 -16.7873 -7.2102 -7.2102 -7.2066 -7.2066 -2.0512 -2.0512 -1.9459 -1.9459 -1.7371 -1.7371 -1.6051 -1.6051 -1.5857 -1.5857 -0.3512 -0.3512 1.8462 1.8462 2.3672 2.3672 2.4519 2.4519 2.5304 2.5304 2.8088 2.8088 7.5697 7.5697 7.5716 7.5716 7.9004 7.9004 9.3687 9.3687 k = 0.5000 0.5000 0.2938 ( 4136 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7873 -16.7873 -7.2103 -7.2103 -7.2066 -7.2066 -2.0512 -2.0512 -1.9458 -1.9458 -1.7370 -1.7370 -1.6050 -1.6050 -1.5856 -1.5856 -0.3474 -0.3474 1.8353 1.8353 2.3851 2.3851 2.4483 2.4483 2.5414 2.5414 2.7755 2.7755 7.5788 7.5788 7.5803 7.5803 7.9753 7.9753 9.3648 9.3648 k = 0.5000 0.5000 0.3071 ( 4128 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2103 -7.2103 -7.2067 -7.2067 -2.0511 -2.0511 -1.9457 -1.9457 -1.7370 -1.7370 -1.6048 -1.6048 -1.5856 -1.5856 -0.3446 -0.3446 1.8274 1.8274 2.3989 2.3989 2.4449 2.4449 2.5543 2.5543 2.7467 2.7467 7.5855 7.5855 7.5866 7.5866 8.0348 8.0348 9.3621 9.3621 k = 0.5000 0.5000 0.3205 ( 4136 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2103 -7.2103 -7.2067 -7.2067 -2.0512 -2.0512 -1.9457 -1.9457 -1.7370 -1.7370 -1.6048 -1.6048 -1.5856 -1.5856 -0.3430 -0.3430 1.8226 1.8226 2.4079 2.4079 2.4420 2.4420 2.5658 2.5658 2.7256 2.7256 7.5896 7.5896 7.5904 7.5904 8.0735 8.0735 9.3604 9.3604 k = 0.5000 0.5000 0.3339 ( 4128 PWs) bands (ev): -35.9033 -35.9033 -17.2172 -17.2172 -16.8760 -16.8760 -16.7872 -16.7872 -7.2103 -7.2103 -7.2067 -7.2067 -2.0512 -2.0512 -1.9457 -1.9457 -1.7370 -1.7370 -1.6048 -1.6048 -1.5855 -1.5855 -0.3424 -0.3424 1.8210 1.8210 2.4112 2.4112 2.4408 2.4408 2.5706 2.5706 2.7176 2.7176 7.5910 7.5910 7.5917 7.5917 8.0870 8.0870 9.3599 9.3655 Writing output data file CaZnSe2.save init_run : 4.32s CPU 13.60s WALL ( 1 calls) electrons : 721.04s CPU 728.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.45s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 721.02s CPU 727.97s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.99s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.13s CPU 0.59s WALL ( 1 calls) newd : 0.31s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.12s WALL ( 338 calls) cegterg : 697.03s CPU 701.49s WALL ( 1302 calls) Called by sum_band: Called by *egterg: h_psi : 287.25s CPU 299.17s WALL ( 25049 calls) s_psi : 20.31s CPU 21.07s WALL ( 25049 calls) g_psi : 0.71s CPU 0.82s WALL ( 23409 calls) cdiaghg : 283.77s CPU 277.85s WALL ( 23747 calls) cegterg:over : 54.39s CPU 50.05s WALL ( 23409 calls) cegterg:upda : 9.26s CPU 15.28s WALL ( 23409 calls) cegterg:last : 7.92s CPU 9.13s WALL ( 2927 calls) Called by h_psi: h_psi:vloc : 245.14s CPU 255.89s WALL ( 25049 calls) h_psi:vnl : 41.81s CPU 42.27s WALL ( 25049 calls) add_vuspsi : 11.63s CPU 16.39s WALL ( 25049 calls) General routines calbec : 30.11s CPU 25.74s WALL ( 25049 calls) fft : 0.31s CPU 1.35s WALL ( 19 calls) ffts : 0.04s CPU 0.04s WALL ( 4 calls) fftw : 234.95s CPU 241.85s WALL ( 1457172 calls) interpolate : 0.15s CPU 0.15s WALL ( 4 calls) davcio : 0.02s CPU 0.94s WALL ( 676 calls) Parallel routines fft_scatter : 154.21s CPU 152.10s WALL ( 1457195 calls) PWSCF : 12m52.10s CPU 13m54.90s WALL This run was terminated on: 8:58:59 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=