Program PWSCF v.5.1.1 starts on 13Jun2016 at 16:12:58 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: ./ZnCdSe2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 69 19 5 4257 629 99 Max 70 20 6 4263 648 108 Sum 3313 941 277 204509 30677 4943 bravais-lattice index = 14 lattice parameter (alat) = 8.0691 a.u. unit-cell volume = 749.3238 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.069130 celldm(2)= 1.000000 celldm(3)= 1.426230 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 1.426230 ) 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 0.701149 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 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 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 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 Cd 12.00 112.41100 Cd( 1.00) Se 6.00 78.96000 Se( 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= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0029326 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0029326 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0029326 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0029326 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0029326 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0029326 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0029326 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0029326 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0029326 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0029326 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0029326 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0029326 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0029326 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0029326 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0029326 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0029326 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0029326 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0029326 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0029326 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0029326 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0029326 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0029326 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0029326 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0029326 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0029326 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0029326 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0029326 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0029326 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0029326 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0029326 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0029326 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0029326 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0029326 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0029326 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0029326 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0029326 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0029326 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0029326 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0029326 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0029326 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0029326 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0029326 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0029326 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0029326 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0029326 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0029326 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0029326 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0029326 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0029326 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0029326 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0029326 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0029326 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0029326 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0029326 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0029326 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0029326 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0029326 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0029326 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0029326 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0029326 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0029326 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0029326 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0029326 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0029326 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0029326 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0029326 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0029326 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0029326 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0029326 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0029326 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 78) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0029326 k( 79) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0029326 k( 80) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0029326 k( 81) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0029326 k( 82) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0029326 k( 83) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0029326 k( 84) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0029326 k( 85) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0029326 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0029326 k( 87) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0029326 k( 88) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0029326 k( 89) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0029326 k( 90) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0029326 k( 91) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0029326 k( 92) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0029326 k( 93) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0029326 k( 94) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0029326 k( 95) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0029326 k( 96) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0029326 k( 97) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0029326 k( 98) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0029326 k( 99) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0029326 k( 100) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0029326 k( 101) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0029326 k( 102) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0029326 k( 103) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0029326 k( 104) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0029326 k( 105) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0029326 k( 106) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0029326 k( 107) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0029326 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0029326 k( 109) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0029326 k( 110) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0029326 k( 111) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0029326 k( 112) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0029326 k( 113) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0029326 k( 114) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0029326 k( 117) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0029326 k( 118) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0029326 k( 120) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0029326 k( 121) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0029326 k( 122) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0029326 k( 123) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0029326 k( 124) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0029326 k( 125) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0029326 k( 129) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0029326 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 132) = ( 0.0000000 0.0000000 0.0134836), wk = 0.0029326 k( 133) = ( 0.0000000 0.0000000 0.0269673), wk = 0.0029326 k( 134) = ( 0.0000000 0.0000000 0.0404509), wk = 0.0029326 k( 135) = ( 0.0000000 0.0000000 0.0539346), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0674182), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0809019), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0943855), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.1078691), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.1213528), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.1348364), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.1483201), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.1618037), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.1752874), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1887710), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.2022546), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.2157383), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.2292219), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.2427056), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.2561892), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.2696729), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.2831565), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.2966401), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.3101238), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.3236074), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.3370911), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.3505747), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.3505747), wk = 0.0029326 k( 159) = ( 0.0000000 0.0135135 0.3505747), wk = 0.0029326 k( 160) = ( 0.0000000 0.0270270 0.3505747), wk = 0.0029326 k( 161) = ( 0.0000000 0.0405405 0.3505747), wk = 0.0029326 k( 162) = ( 0.0000000 0.0540540 0.3505747), wk = 0.0029326 k( 163) = ( 0.0000000 0.0675676 0.3505747), wk = 0.0029326 k( 164) = ( 0.0000000 0.0810811 0.3505747), wk = 0.0029326 k( 165) = ( 0.0000000 0.0945946 0.3505747), wk = 0.0029326 k( 166) = ( 0.0000000 0.1081081 0.3505747), wk = 0.0029326 k( 167) = ( 0.0000000 0.1216216 0.3505747), wk = 0.0029326 k( 168) = ( 0.0000000 0.1351351 0.3505747), wk = 0.0029326 k( 169) = ( 0.0000000 0.1486486 0.3505747), wk = 0.0029326 k( 170) = ( 0.0000000 0.1621622 0.3505747), wk = 0.0029326 k( 171) = ( 0.0000000 0.1756757 0.3505747), wk = 0.0029326 k( 172) = ( 0.0000000 0.1891892 0.3505747), wk = 0.0029326 k( 173) = ( 0.0000000 0.2027027 0.3505747), wk = 0.0029326 k( 174) = ( 0.0000000 0.2162162 0.3505747), wk = 0.0029326 k( 175) = ( 0.0000000 0.2297297 0.3505747), wk = 0.0029326 k( 176) = ( 0.0000000 0.2432432 0.3505747), wk = 0.0029326 k( 177) = ( 0.0000000 0.2567568 0.3505747), wk = 0.0029326 k( 178) = ( 0.0000000 0.2702703 0.3505747), wk = 0.0029326 k( 179) = ( 0.0000000 0.2837838 0.3505747), wk = 0.0029326 k( 180) = ( 0.0000000 0.2972973 0.3505747), wk = 0.0029326 k( 181) = ( 0.0000000 0.3108108 0.3505747), wk = 0.0029326 k( 182) = ( 0.0000000 0.3243243 0.3505747), wk = 0.0029326 k( 183) = ( 0.0000000 0.3378378 0.3505747), wk = 0.0029326 k( 184) = ( 0.0000000 0.3513514 0.3505747), wk = 0.0029326 k( 185) = ( 0.0000000 0.3648649 0.3505747), wk = 0.0029326 k( 186) = ( 0.0000000 0.3783784 0.3505747), wk = 0.0029326 k( 187) = ( 0.0000000 0.3918919 0.3505747), wk = 0.0029326 k( 188) = ( 0.0000000 0.4054054 0.3505747), wk = 0.0029326 k( 189) = ( 0.0000000 0.4189189 0.3505747), wk = 0.0029326 k( 190) = ( 0.0000000 0.4324324 0.3505747), wk = 0.0029326 k( 191) = ( 0.0000000 0.4459459 0.3505747), wk = 0.0029326 k( 192) = ( 0.0000000 0.4594595 0.3505747), wk = 0.0029326 k( 193) = ( 0.0000000 0.4729730 0.3505747), wk = 0.0029326 k( 194) = ( 0.0000000 0.4864865 0.3505747), wk = 0.0029326 k( 195) = ( 0.0000000 0.5000000 0.3505747), wk = 0.0029326 k( 196) = ( 0.0000000 0.5000000 0.3505747), wk = 0.0029326 k( 197) = ( 0.0135135 0.5000000 0.3505747), wk = 0.0029326 k( 198) = ( 0.0270270 0.5000000 0.3505747), wk = 0.0029326 k( 199) = ( 0.0405405 0.5000000 0.3505747), wk = 0.0029326 k( 200) = ( 0.0540540 0.5000000 0.3505747), wk = 0.0029326 k( 201) = ( 0.0675676 0.5000000 0.3505747), wk = 0.0029326 k( 202) = ( 0.0810811 0.5000000 0.3505747), wk = 0.0029326 k( 203) = ( 0.0945946 0.5000000 0.3505747), wk = 0.0029326 k( 204) = ( 0.1081081 0.5000000 0.3505747), wk = 0.0029326 k( 205) = ( 0.1216216 0.5000000 0.3505747), wk = 0.0029326 k( 206) = ( 0.1351351 0.5000000 0.3505747), wk = 0.0029326 k( 207) = ( 0.1486486 0.5000000 0.3505747), wk = 0.0029326 k( 208) = ( 0.1621622 0.5000000 0.3505747), wk = 0.0029326 k( 209) = ( 0.1756757 0.5000000 0.3505747), wk = 0.0029326 k( 210) = ( 0.1891892 0.5000000 0.3505747), wk = 0.0029326 k( 211) = ( 0.2027027 0.5000000 0.3505747), wk = 0.0029326 k( 212) = ( 0.2162162 0.5000000 0.3505747), wk = 0.0029326 k( 213) = ( 0.2297297 0.5000000 0.3505747), wk = 0.0029326 k( 214) = ( 0.2432432 0.5000000 0.3505747), wk = 0.0029326 k( 215) = ( 0.2567568 0.5000000 0.3505747), wk = 0.0029326 k( 216) = ( 0.2702703 0.5000000 0.3505747), wk = 0.0029326 k( 217) = ( 0.2837838 0.5000000 0.3505747), wk = 0.0029326 k( 218) = ( 0.2972973 0.5000000 0.3505747), wk = 0.0029326 k( 219) = ( 0.3108108 0.5000000 0.3505747), wk = 0.0029326 k( 220) = ( 0.3243243 0.5000000 0.3505747), wk = 0.0029326 k( 221) = ( 0.3378378 0.5000000 0.3505747), wk = 0.0029326 k( 222) = ( 0.3513514 0.5000000 0.3505747), wk = 0.0029326 k( 223) = ( 0.3648649 0.5000000 0.3505747), wk = 0.0029326 k( 224) = ( 0.3783784 0.5000000 0.3505747), wk = 0.0029326 k( 225) = ( 0.3918919 0.5000000 0.3505747), wk = 0.0029326 k( 226) = ( 0.4054054 0.5000000 0.3505747), wk = 0.0029326 k( 227) = ( 0.4189189 0.5000000 0.3505747), wk = 0.0029326 k( 228) = ( 0.4324324 0.5000000 0.3505747), wk = 0.0029326 k( 229) = ( 0.4459459 0.5000000 0.3505747), wk = 0.0029326 k( 230) = ( 0.4594595 0.5000000 0.3505747), wk = 0.0029326 k( 231) = ( 0.4729730 0.5000000 0.3505747), wk = 0.0029326 k( 232) = ( 0.4864865 0.5000000 0.3505747), wk = 0.0029326 k( 233) = ( 0.5000000 0.5000000 0.3505747), wk = 0.0029326 k( 234) = ( 0.5000000 0.5000000 0.3505747), wk = 0.0029326 k( 235) = ( 0.4905660 0.4905660 0.3505747), wk = 0.0029326 k( 236) = ( 0.4811321 0.4811321 0.3505747), wk = 0.0029326 k( 237) = ( 0.4716981 0.4716981 0.3505747), wk = 0.0029326 k( 238) = ( 0.4622641 0.4622641 0.3505747), wk = 0.0029326 k( 239) = ( 0.4528302 0.4528302 0.3505747), wk = 0.0029326 k( 240) = ( 0.4433962 0.4433962 0.3505747), wk = 0.0029326 k( 241) = ( 0.4339623 0.4339623 0.3505747), wk = 0.0029326 k( 242) = ( 0.4245283 0.4245283 0.3505747), wk = 0.0029326 k( 243) = ( 0.4150943 0.4150943 0.3505747), wk = 0.0029326 k( 244) = ( 0.4056604 0.4056604 0.3505747), wk = 0.0029326 k( 245) = ( 0.3962264 0.3962264 0.3505747), wk = 0.0029326 k( 246) = ( 0.3867925 0.3867924 0.3505747), wk = 0.0029326 k( 247) = ( 0.3773585 0.3773585 0.3505747), wk = 0.0029326 k( 248) = ( 0.3679245 0.3679245 0.3505747), wk = 0.0029326 k( 249) = ( 0.3584906 0.3584906 0.3505747), wk = 0.0029326 k( 250) = ( 0.3490566 0.3490566 0.3505747), wk = 0.0029326 k( 251) = ( 0.3396226 0.3396226 0.3505747), wk = 0.0029326 k( 252) = ( 0.3301887 0.3301887 0.3505747), wk = 0.0029326 k( 253) = ( 0.3207547 0.3207547 0.3505747), wk = 0.0029326 k( 254) = ( 0.3113207 0.3113207 0.3505747), wk = 0.0029326 k( 255) = ( 0.3018868 0.3018868 0.3505747), wk = 0.0029326 k( 256) = ( 0.2924528 0.2924528 0.3505747), wk = 0.0029326 k( 257) = ( 0.2830189 0.2830189 0.3505747), wk = 0.0029326 k( 258) = ( 0.2735849 0.2735849 0.3505747), wk = 0.0029326 k( 259) = ( 0.2641509 0.2641509 0.3505747), wk = 0.0029326 k( 260) = ( 0.2547170 0.2547170 0.3505747), wk = 0.0029326 k( 261) = ( 0.2452830 0.2452830 0.3505747), wk = 0.0029326 k( 262) = ( 0.2358491 0.2358491 0.3505747), wk = 0.0029326 k( 263) = ( 0.2264151 0.2264151 0.3505747), wk = 0.0029326 k( 264) = ( 0.2169811 0.2169811 0.3505747), wk = 0.0029326 k( 265) = ( 0.2075472 0.2075472 0.3505747), wk = 0.0029326 k( 266) = ( 0.1981132 0.1981132 0.3505747), wk = 0.0029326 k( 267) = ( 0.1886792 0.1886792 0.3505747), wk = 0.0029326 k( 268) = ( 0.1792453 0.1792453 0.3505747), wk = 0.0029326 k( 269) = ( 0.1698113 0.1698113 0.3505747), wk = 0.0029326 k( 270) = ( 0.1603774 0.1603774 0.3505747), wk = 0.0029326 k( 271) = ( 0.1509434 0.1509434 0.3505747), wk = 0.0029326 k( 272) = ( 0.1415094 0.1415094 0.3505747), wk = 0.0029326 k( 273) = ( 0.1320755 0.1320755 0.3505747), wk = 0.0029326 k( 274) = ( 0.1226415 0.1226415 0.3505747), wk = 0.0029326 k( 275) = ( 0.1132076 0.1132075 0.3505747), wk = 0.0029326 k( 276) = ( 0.1037736 0.1037736 0.3505747), wk = 0.0029326 k( 277) = ( 0.0943396 0.0943396 0.3505747), wk = 0.0029326 k( 278) = ( 0.0849057 0.0849057 0.3505747), wk = 0.0029326 k( 279) = ( 0.0754717 0.0754717 0.3505747), wk = 0.0029326 k( 280) = ( 0.0660377 0.0660377 0.3505747), wk = 0.0029326 k( 281) = ( 0.0566038 0.0566038 0.3505747), wk = 0.0029326 k( 282) = ( 0.0471698 0.0471698 0.3505747), wk = 0.0029326 k( 283) = ( 0.0377359 0.0377358 0.3505747), wk = 0.0029326 k( 284) = ( 0.0283019 0.0283019 0.3505747), wk = 0.0029326 k( 285) = ( 0.0188679 0.0188679 0.3505747), wk = 0.0029326 k( 286) = ( 0.0094340 0.0094340 0.3505747), wk = 0.0029326 k( 287) = ( 0.0000000 0.0000000 0.3505747), wk = 0.0029326 k( 288) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 289) = ( 0.0000000 0.5000000 0.0134836), wk = 0.0029326 k( 290) = ( 0.0000000 0.5000000 0.0269673), wk = 0.0029326 k( 291) = ( 0.0000000 0.5000000 0.0404509), wk = 0.0029326 k( 292) = ( 0.0000000 0.5000000 0.0539346), wk = 0.0029326 k( 293) = ( 0.0000000 0.5000000 0.0674182), wk = 0.0029326 k( 294) = ( 0.0000000 0.5000000 0.0809019), wk = 0.0029326 k( 295) = ( 0.0000000 0.5000000 0.0943855), wk = 0.0029326 k( 296) = ( 0.0000000 0.5000000 0.1078691), wk = 0.0029326 k( 297) = ( 0.0000000 0.5000000 0.1213528), wk = 0.0029326 k( 298) = ( 0.0000000 0.5000000 0.1348364), wk = 0.0029326 k( 299) = ( 0.0000000 0.5000000 0.1483201), wk = 0.0029326 k( 300) = ( 0.0000000 0.5000000 0.1618037), wk = 0.0029326 k( 301) = ( 0.0000000 0.5000000 0.1752874), wk = 0.0029326 k( 302) = ( 0.0000000 0.5000000 0.1887710), wk = 0.0029326 k( 303) = ( 0.0000000 0.5000000 0.2022546), wk = 0.0029326 k( 304) = ( 0.0000000 0.5000000 0.2157383), wk = 0.0029326 k( 305) = ( 0.0000000 0.5000000 0.2292219), wk = 0.0029326 k( 306) = ( 0.0000000 0.5000000 0.2427056), wk = 0.0029326 k( 307) = ( 0.0000000 0.5000000 0.2561892), wk = 0.0029326 k( 308) = ( 0.0000000 0.5000000 0.2696729), wk = 0.0029326 k( 309) = ( 0.0000000 0.5000000 0.2831565), wk = 0.0029326 k( 310) = ( 0.0000000 0.5000000 0.2966401), wk = 0.0029326 k( 311) = ( 0.0000000 0.5000000 0.3101238), wk = 0.0029326 k( 312) = ( 0.0000000 0.5000000 0.3236074), wk = 0.0029326 k( 313) = ( 0.0000000 0.5000000 0.3370911), wk = 0.0029326 k( 314) = ( 0.0000000 0.5000000 0.3505747), wk = 0.0029326 k( 315) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 316) = ( 0.5000000 0.5000000 0.0134836), wk = 0.0029326 k( 317) = ( 0.5000000 0.5000000 0.0269673), wk = 0.0029326 k( 318) = ( 0.5000000 0.5000000 0.0404509), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 0.0539346), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 0.0674182), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 0.0809019), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 0.0943855), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 0.1078691), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 0.1213528), wk = 0.0029326 k( 325) = ( 0.5000000 0.5000000 0.1348364), wk = 0.0029326 k( 326) = ( 0.5000000 0.5000000 0.1483201), wk = 0.0029326 k( 327) = ( 0.5000000 0.5000000 0.1618037), wk = 0.0029326 k( 328) = ( 0.5000000 0.5000000 0.1752874), wk = 0.0029326 k( 329) = ( 0.5000000 0.5000000 0.1887710), wk = 0.0029326 k( 330) = ( 0.5000000 0.5000000 0.2022546), wk = 0.0029326 k( 331) = ( 0.5000000 0.5000000 0.2157383), wk = 0.0029326 k( 332) = ( 0.5000000 0.5000000 0.2292219), wk = 0.0029326 k( 333) = ( 0.5000000 0.5000000 0.2427056), wk = 0.0029326 k( 334) = ( 0.5000000 0.5000000 0.2561892), wk = 0.0029326 k( 335) = ( 0.5000000 0.5000000 0.2696729), wk = 0.0029326 k( 336) = ( 0.5000000 0.5000000 0.2831565), wk = 0.0029326 k( 337) = ( 0.5000000 0.5000000 0.2966401), wk = 0.0029326 k( 338) = ( 0.5000000 0.5000000 0.3101238), wk = 0.0029326 k( 339) = ( 0.5000000 0.5000000 0.3236074), wk = 0.0029326 k( 340) = ( 0.5000000 0.5000000 0.3370911), wk = 0.0029326 k( 341) = ( 0.5000000 0.5000000 0.3505747), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0029326 k( 3) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0029326 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0029326 k( 5) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0029326 k( 6) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0029326 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0029326 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0029326 k( 10) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0029326 k( 11) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0029326 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0029326 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0029326 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0029326 k( 15) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0029326 k( 16) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0029326 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0029326 k( 18) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0029326 k( 19) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0029326 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0029326 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0029326 k( 22) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0029326 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0029326 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0029326 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0029326 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0029326 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0029326 k( 28) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0029326 k( 29) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0029326 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0029326 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0029326 k( 32) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0029326 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0029326 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0029326 k( 35) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0029326 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0029326 k( 37) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0029326 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0029326 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0029326 k( 42) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0029326 k( 43) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0029326 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0029326 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0029326 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0029326 k( 47) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0029326 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0029326 k( 49) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0029326 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0029326 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0029326 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0029326 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0029326 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0029326 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0029326 k( 56) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0029326 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0029326 k( 58) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0029326 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0029326 k( 60) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0029326 k( 61) = ( 0.2972973 0.5000000 0.0000000), wk = 0.0029326 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0029326 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0029326 k( 64) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0029326 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0029326 k( 66) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0029326 k( 67) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0029326 k( 68) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0029326 k( 69) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0029326 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0029326 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0029326 k( 72) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0029326 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0029326 k( 74) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0029326 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0029326 k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 77) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 78) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0029326 k( 79) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0029326 k( 80) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0029326 k( 81) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0029326 k( 82) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0029326 k( 83) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0029326 k( 84) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0029326 k( 85) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0029326 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0029326 k( 87) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0029326 k( 88) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0029326 k( 89) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0029326 k( 90) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0029326 k( 91) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0029326 k( 92) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0029326 k( 93) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0029326 k( 94) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0029326 k( 95) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0029326 k( 96) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0029326 k( 97) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0029326 k( 98) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0029326 k( 99) = ( 0.2924528 0.2924528 0.0000000), wk = 0.0029326 k( 100) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0029326 k( 101) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0029326 k( 102) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0029326 k( 103) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0029326 k( 104) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0029326 k( 105) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0029326 k( 106) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0029326 k( 107) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0029326 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0029326 k( 109) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0029326 k( 110) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0029326 k( 111) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0029326 k( 112) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0029326 k( 113) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0029326 k( 114) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0029326 k( 115) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0029326 k( 117) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0029326 k( 118) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0029326 k( 120) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0029326 k( 121) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0029326 k( 122) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0029326 k( 123) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0029326 k( 124) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0029326 k( 125) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0029326 k( 126) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0029326 k( 127) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0029326 k( 128) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0029326 k( 129) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0029326 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 132) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0029326 k( 133) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0029326 k( 134) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0029326 k( 135) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 159) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0029326 k( 160) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0029326 k( 161) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0029326 k( 162) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0029326 k( 163) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0029326 k( 164) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0029326 k( 165) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0029326 k( 166) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0029326 k( 167) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0029326 k( 168) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0029326 k( 169) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0029326 k( 170) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0029326 k( 171) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0029326 k( 172) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0029326 k( 173) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0029326 k( 174) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0029326 k( 175) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0029326 k( 176) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0029326 k( 177) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0029326 k( 178) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0029326 k( 179) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0029326 k( 180) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0029326 k( 181) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0029326 k( 182) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0029326 k( 183) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0029326 k( 184) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0029326 k( 185) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0029326 k( 186) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0029326 k( 187) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0029326 k( 188) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0029326 k( 189) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0029326 k( 190) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0029326 k( 191) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0029326 k( 192) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0029326 k( 193) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0029326 k( 194) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0029326 k( 195) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 196) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 197) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0029326 k( 198) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0029326 k( 199) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0029326 k( 200) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0029326 k( 201) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0029326 k( 202) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0029326 k( 203) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0029326 k( 204) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0029326 k( 205) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0029326 k( 206) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0029326 k( 207) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0029326 k( 208) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0029326 k( 209) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0029326 k( 210) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0029326 k( 211) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0029326 k( 212) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0029326 k( 213) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0029326 k( 214) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0029326 k( 215) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0029326 k( 216) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0029326 k( 217) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0029326 k( 218) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0029326 k( 219) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0029326 k( 220) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0029326 k( 221) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0029326 k( 222) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0029326 k( 223) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0029326 k( 224) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0029326 k( 225) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0029326 k( 226) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0029326 k( 227) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0029326 k( 228) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0029326 k( 229) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0029326 k( 230) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0029326 k( 231) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0029326 k( 232) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0029326 k( 233) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 235) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0029326 k( 236) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0029326 k( 237) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0029326 k( 238) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0029326 k( 239) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0029326 k( 240) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0029326 k( 241) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0029326 k( 242) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0029326 k( 243) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0029326 k( 244) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0029326 k( 245) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0029326 k( 246) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0029326 k( 247) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0029326 k( 248) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0029326 k( 249) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0029326 k( 250) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0029326 k( 251) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0029326 k( 252) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0029326 k( 253) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0029326 k( 254) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0029326 k( 255) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0029326 k( 256) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0029326 k( 257) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0029326 k( 258) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0029326 k( 259) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0029326 k( 260) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0029326 k( 261) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0029326 k( 262) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0029326 k( 263) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0029326 k( 264) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0029326 k( 265) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0029326 k( 266) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0029326 k( 267) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0029326 k( 268) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0029326 k( 269) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0029326 k( 270) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0029326 k( 271) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0029326 k( 272) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0029326 k( 273) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0029326 k( 274) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0029326 k( 275) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0029326 k( 276) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0029326 k( 277) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0029326 k( 278) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0029326 k( 279) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0029326 k( 280) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0029326 k( 281) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0029326 k( 282) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0029326 k( 283) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0029326 k( 284) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0029326 k( 285) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0029326 k( 286) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0029326 k( 287) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 288) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 289) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0029326 k( 290) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0029326 k( 291) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0029326 k( 292) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0029326 k( 293) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0029326 k( 294) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0029326 k( 295) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0029326 k( 296) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0029326 k( 297) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0029326 k( 298) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0029326 k( 299) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0029326 k( 300) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0029326 k( 301) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029326 k( 302) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0029326 k( 303) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0029326 k( 304) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0029326 k( 305) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0029326 k( 306) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0029326 k( 307) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0029326 k( 308) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0029326 k( 309) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0029326 k( 310) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0029326 k( 311) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0029326 k( 312) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0029326 k( 313) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0029326 k( 314) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 315) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 316) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0029326 k( 317) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0029326 k( 318) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 0.0961539), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0029326 k( 325) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0029326 k( 326) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0029326 k( 327) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0029326 k( 328) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029326 k( 329) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0029326 k( 330) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0029326 k( 331) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0029326 k( 332) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0029326 k( 333) = ( 0.5000000 0.5000000 0.3461539), wk = 0.0029326 k( 334) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0029326 k( 335) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0029326 k( 336) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0029326 k( 337) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0029326 k( 338) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0029326 k( 339) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0029326 k( 340) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0029326 k( 341) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 Dense grid: 204509 G-vectors FFT dimensions: ( 72, 72, 96) Smooth grid: 30677 G-vectors FFT dimensions: ( 36, 36, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 170, 44) NL pseudopotentials 0.11 Mb ( 85, 82) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4263) G-vector shells 0.02 Mb ( 1991) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 170, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.11 Mb ( 82, 2, 44) The potential is recalculated from file : ./ZnCdSe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 42.7 secs Computing kpt #: 3 total cpu time spent up to now is 43.9 secs Computing kpt #: 4 total cpu time spent up to now is 45.1 secs Computing kpt #: 5 total cpu time spent up to now is 46.3 secs Computing kpt #: 6 total cpu time spent up to now is 47.5 secs Computing kpt #: 7 total cpu time spent up to now is 48.8 secs Computing kpt #: 8 total cpu time spent up to now is 50.0 secs Computing kpt #: 9 total cpu time spent up to now is 51.2 secs Computing kpt #: 10 total cpu time spent up to now is 52.5 secs Computing kpt #: 11 total cpu time spent up to now is 53.8 secs Computing kpt #: 12 total cpu time spent up to now is 55.1 secs Computing kpt #: 13 total cpu time spent up to now is 56.3 secs Computing kpt #: 14 total cpu time spent up to now is 57.5 secs Computing kpt #: 15 total cpu time spent up to now is 58.7 secs Computing kpt #: 16 total cpu time spent up to now is 59.9 secs Computing kpt #: 17 total cpu time spent up to now is 61.1 secs Computing kpt #: 18 total cpu time spent up to now is 62.3 secs Computing kpt #: 19 total cpu time spent up to now is 63.5 secs Computing kpt #: 20 total cpu time spent up to now is 64.7 secs Computing kpt #: 21 total cpu time spent up to now is 66.1 secs Computing kpt #: 22 total cpu time spent up to now is 68.1 secs Computing kpt #: 23 total cpu time spent up to now is 69.4 secs Computing kpt #: 24 total cpu time spent up to now is 70.8 secs Computing kpt #: 25 total cpu time spent up to now is 72.1 secs Computing kpt #: 26 total cpu time spent up to now is 73.3 secs Computing kpt #: 27 total cpu time spent up to now is 74.5 secs Computing kpt #: 28 total cpu time spent up to now is 75.8 secs Computing kpt #: 29 total cpu time spent up to now is 77.0 secs Computing kpt #: 30 total cpu time spent up to now is 78.2 secs Computing kpt #: 31 total cpu time spent up to now is 79.5 secs Computing kpt #: 32 total cpu time spent up to now is 80.7 secs Computing kpt #: 33 total cpu time spent up to now is 82.1 secs Computing kpt #: 34 total cpu time spent up to now is 83.8 secs Computing kpt #: 35 total cpu time spent up to now is 85.8 secs Computing kpt #: 36 total cpu time spent up to now is 87.4 secs Computing kpt #: 37 total cpu time spent up to now is 89.0 secs Computing kpt #: 38 total cpu time spent up to now is 90.7 secs Computing kpt #: 39 total cpu time spent up to now is 92.4 secs Computing kpt #: 40 total cpu time spent up to now is 93.9 secs Computing kpt #: 41 total cpu time spent up to now is 95.4 secs Computing kpt #: 42 total cpu time spent up to now is 96.9 secs Computing kpt #: 43 total cpu time spent up to now is 98.4 secs Computing kpt #: 44 total cpu time spent up to now is 99.8 secs Computing kpt #: 45 total cpu time spent up to now is 101.0 secs Computing kpt #: 46 total cpu time spent up to now is 102.5 secs Computing kpt #: 47 total cpu time spent up to now is 103.7 secs Computing kpt #: 48 total cpu time spent up to now is 104.9 secs Computing kpt #: 49 total cpu time spent up to now is 106.1 secs Computing kpt #: 50 total cpu time spent up to now is 107.3 secs Computing kpt #: 51 total cpu time spent up to now is 108.5 secs Computing kpt #: 52 total cpu time spent up to now is 109.7 secs Computing kpt #: 53 total cpu time spent up to now is 110.9 secs Computing kpt #: 54 total cpu time spent up to now is 112.2 secs Computing kpt #: 55 total cpu time spent up to now is 113.4 secs Computing kpt #: 56 total cpu time spent up to now is 114.7 secs Computing kpt #: 57 total cpu time spent up to now is 115.7 secs Computing kpt #: 58 total cpu time spent up to now is 116.8 secs Computing kpt #: 59 total cpu time spent up to now is 117.9 secs Computing kpt #: 60 total cpu time spent up to now is 119.0 secs Computing kpt #: 61 total cpu time spent up to now is 120.1 secs Computing kpt #: 62 total cpu time spent up to now is 121.3 secs Computing kpt #: 63 total cpu time spent up to now is 122.5 secs Computing kpt #: 64 total cpu time spent up to now is 123.4 secs Computing kpt #: 65 total cpu time spent up to now is 124.4 secs Computing kpt #: 66 total cpu time spent up to now is 125.5 secs Computing kpt #: 67 total cpu time spent up to now is 126.6 secs Computing kpt #: 68 total cpu time spent up to now is 127.6 secs Computing kpt #: 69 total cpu time spent up to now is 128.5 secs Computing kpt #: 70 total cpu time spent up to now is 129.4 secs Computing kpt #: 71 total cpu time spent up to now is 130.7 secs Computing kpt #: 72 total cpu time spent up to now is 131.7 secs Computing kpt #: 73 total cpu time spent up to now is 132.7 secs Computing kpt #: 74 total cpu time spent up to now is 133.9 secs Computing kpt #: 75 total cpu time spent up to now is 134.8 secs Computing kpt #: 76 total cpu time spent up to now is 135.6 secs Computing kpt #: 77 total cpu time spent up to now is 136.5 secs Computing kpt #: 78 total cpu time spent up to now is 137.5 secs Computing kpt #: 79 total cpu time spent up to now is 138.4 secs Computing kpt #: 80 total cpu time spent up to now is 139.5 secs Computing kpt #: 81 total cpu time spent up to now is 140.5 secs Computing kpt #: 82 total cpu time spent up to now is 141.4 secs Computing kpt #: 83 total cpu time spent up to now is 142.4 secs Computing kpt #: 84 total cpu time spent up to now is 143.3 secs Computing kpt #: 85 total cpu time spent up to now is 144.2 secs Computing kpt #: 86 total cpu time spent up to now is 145.1 secs Computing kpt #: 87 total cpu time spent up to now is 146.1 secs Computing kpt #: 88 total cpu time spent up to now is 147.0 secs Computing kpt #: 89 total cpu time spent up to now is 148.0 secs Computing kpt #: 90 total cpu time spent up to now is 148.9 secs Computing kpt #: 91 total cpu time spent up to now is 149.9 secs Computing kpt #: 92 total cpu time spent up to now is 150.9 secs Computing kpt #: 93 total cpu time spent up to now is 152.1 secs Computing kpt #: 94 total cpu time spent up to now is 153.4 secs Computing kpt #: 95 total cpu time spent up to now is 154.4 secs Computing kpt #: 96 total cpu time spent up to now is 155.5 secs Computing kpt #: 97 total cpu time spent up to now is 156.5 secs Computing kpt #: 98 total cpu time spent up to now is 157.6 secs Computing kpt #: 99 total cpu time spent up to now is 158.8 secs Computing kpt #: 100 total cpu time spent up to now is 160.0 secs Computing kpt #: 101 total cpu time spent up to now is 161.2 secs Computing kpt #: 102 total cpu time spent up to now is 162.6 secs Computing kpt #: 103 total cpu time spent up to now is 163.8 secs Computing kpt #: 104 total cpu time spent up to now is 164.9 secs Computing kpt #: 105 total cpu time spent up to now is 166.0 secs Computing kpt #: 106 total cpu time spent up to now is 167.3 secs Computing kpt #: 107 total cpu time spent up to now is 168.5 secs Computing kpt #: 108 total cpu time spent up to now is 169.5 secs Computing kpt #: 109 total cpu time spent up to now is 170.6 secs Computing kpt #: 110 total cpu time spent up to now is 171.6 secs Computing kpt #: 111 total cpu time spent up to now is 172.7 secs Computing kpt #: 112 total cpu time spent up to now is 174.0 secs Computing kpt #: 113 total cpu time spent up to now is 175.3 secs Computing kpt #: 114 total cpu time spent up to now is 176.3 secs Computing kpt #: 115 total cpu time spent up to now is 177.3 secs Computing kpt #: 116 total cpu time spent up to now is 178.4 secs Computing kpt #: 117 total cpu time spent up to now is 179.7 secs Computing kpt #: 118 total cpu time spent up to now is 180.9 secs Computing kpt #: 119 total cpu time spent up to now is 182.2 secs Computing kpt #: 120 total cpu time spent up to now is 183.4 secs Computing kpt #: 121 total cpu time spent up to now is 184.6 secs Computing kpt #: 122 total cpu time spent up to now is 185.8 secs Computing kpt #: 123 total cpu time spent up to now is 187.1 secs Computing kpt #: 124 total cpu time spent up to now is 188.4 secs Computing kpt #: 125 total cpu time spent up to now is 189.7 secs Computing kpt #: 126 total cpu time spent up to now is 190.9 secs Computing kpt #: 127 total cpu time spent up to now is 192.1 secs Computing kpt #: 128 total cpu time spent up to now is 193.4 secs Computing kpt #: 129 total cpu time spent up to now is 194.7 secs Computing kpt #: 130 total cpu time spent up to now is 195.9 secs Computing kpt #: 131 total cpu time spent up to now is 197.0 secs Computing kpt #: 132 total cpu time spent up to now is 198.3 secs Computing kpt #: 133 total cpu time spent up to now is 199.6 secs Computing kpt #: 134 total cpu time spent up to now is 200.8 secs Computing kpt #: 135 total cpu time spent up to now is 202.0 secs Computing kpt #: 136 total cpu time spent up to now is 203.4 secs Computing kpt #: 137 total cpu time spent up to now is 204.6 secs Computing kpt #: 138 total cpu time spent up to now is 205.8 secs Computing kpt #: 139 total cpu time spent up to now is 207.0 secs Computing kpt #: 140 total cpu time spent up to now is 208.1 secs Computing kpt #: 141 total cpu time spent up to now is 209.5 secs Computing kpt #: 142 total cpu time spent up to now is 210.7 secs Computing kpt #: 143 total cpu time spent up to now is 211.8 secs Computing kpt #: 144 total cpu time spent up to now is 213.0 secs Computing kpt #: 145 total cpu time spent up to now is 214.1 secs Computing kpt #: 146 total cpu time spent up to now is 215.1 secs Computing kpt #: 147 total cpu time spent up to now is 216.3 secs Computing kpt #: 148 total cpu time spent up to now is 217.5 secs Computing kpt #: 149 total cpu time spent up to now is 218.7 secs Computing kpt #: 150 total cpu time spent up to now is 219.7 secs Computing kpt #: 151 total cpu time spent up to now is 220.6 secs Computing kpt #: 152 total cpu time spent up to now is 221.7 secs Computing kpt #: 153 total cpu time spent up to now is 222.7 secs Computing kpt #: 154 total cpu time spent up to now is 223.6 secs Computing kpt #: 155 total cpu time spent up to now is 224.6 secs Computing kpt #: 156 total cpu time spent up to now is 225.5 secs Computing kpt #: 157 total cpu time spent up to now is 226.5 secs Computing kpt #: 158 total cpu time spent up to now is 227.4 secs Computing kpt #: 159 total cpu time spent up to now is 228.6 secs Computing kpt #: 160 total cpu time spent up to now is 229.6 secs Computing kpt #: 161 total cpu time spent up to now is 230.5 secs Computing kpt #: 162 total cpu time spent up to now is 231.5 secs Computing kpt #: 163 total cpu time spent up to now is 232.5 secs Computing kpt #: 164 total cpu time spent up to now is 233.6 secs Computing kpt #: 165 total cpu time spent up to now is 234.8 secs Computing kpt #: 166 total cpu time spent up to now is 235.9 secs Computing kpt #: 167 total cpu time spent up to now is 237.0 secs Computing kpt #: 168 total cpu time spent up to now is 238.0 secs Computing kpt #: 169 total cpu time spent up to now is 239.2 secs Computing kpt #: 170 total cpu time spent up to now is 240.6 secs Computing kpt #: 171 total cpu time spent up to now is 241.7 secs Computing kpt #: 172 total cpu time spent up to now is 242.9 secs Computing kpt #: 173 total cpu time spent up to now is 244.1 secs Computing kpt #: 174 total cpu time spent up to now is 245.6 secs Computing kpt #: 175 total cpu time spent up to now is 246.8 secs Computing kpt #: 176 total cpu time spent up to now is 248.1 secs Computing kpt #: 177 total cpu time spent up to now is 249.4 secs Computing kpt #: 178 total cpu time spent up to now is 250.8 secs Computing kpt #: 179 total cpu time spent up to now is 252.2 secs Computing kpt #: 180 total cpu time spent up to now is 253.9 secs Computing kpt #: 181 total cpu time spent up to now is 255.3 secs Computing kpt #: 182 total cpu time spent up to now is 256.8 secs Computing kpt #: 183 total cpu time spent up to now is 258.4 secs Computing kpt #: 184 total cpu time spent up to now is 260.1 secs Computing kpt #: 185 total cpu time spent up to now is 261.8 secs Computing kpt #: 186 total cpu time spent up to now is 263.8 secs Computing kpt #: 187 total cpu time spent up to now is 266.2 secs Computing kpt #: 188 total cpu time spent up to now is 268.2 secs Computing kpt #: 189 total cpu time spent up to now is 270.5 secs Computing kpt #: 190 total cpu time spent up to now is 272.0 secs Computing kpt #: 191 total cpu time spent up to now is 273.7 secs Computing kpt #: 192 total cpu time spent up to now is 276.1 secs Computing kpt #: 193 total cpu time spent up to now is 277.7 secs Computing kpt #: 194 total cpu time spent up to now is 279.2 secs Computing kpt #: 195 total cpu time spent up to now is 280.8 secs Computing kpt #: 196 total cpu time spent up to now is 282.3 secs Computing kpt #: 197 total cpu time spent up to now is 283.9 secs Computing kpt #: 198 total cpu time spent up to now is 285.5 secs Computing kpt #: 199 total cpu time spent up to now is 287.2 secs Computing kpt #: 200 total cpu time spent up to now is 288.8 secs Computing kpt #: 201 total cpu time spent up to now is 290.6 secs Computing kpt #: 202 total cpu time spent up to now is 292.3 secs Computing kpt #: 203 total cpu time spent up to now is 293.9 secs Computing kpt #: 204 total cpu time spent up to now is 295.7 secs Computing kpt #: 205 total cpu time spent up to now is 297.9 secs Computing kpt #: 206 total cpu time spent up to now is 299.2 secs Computing kpt #: 207 total cpu time spent up to now is 300.5 secs Computing kpt #: 208 total cpu time spent up to now is 301.9 secs Computing kpt #: 209 total cpu time spent up to now is 303.2 secs Computing kpt #: 210 total cpu time spent up to now is 304.4 secs Computing kpt #: 211 total cpu time spent up to now is 305.7 secs Computing kpt #: 212 total cpu time spent up to now is 306.9 secs Computing kpt #: 213 total cpu time spent up to now is 308.1 secs Computing kpt #: 214 total cpu time spent up to now is 309.3 secs Computing kpt #: 215 total cpu time spent up to now is 310.5 secs Computing kpt #: 216 total cpu time spent up to now is 311.7 secs Computing kpt #: 217 total cpu time spent up to now is 312.9 secs Computing kpt #: 218 total cpu time spent up to now is 314.1 secs Computing kpt #: 219 total cpu time spent up to now is 315.3 secs Computing kpt #: 220 total cpu time spent up to now is 316.5 secs Computing kpt #: 221 total cpu time spent up to now is 317.7 secs Computing kpt #: 222 total cpu time spent up to now is 318.9 secs Computing kpt #: 223 total cpu time spent up to now is 320.1 secs Computing kpt #: 224 total cpu time spent up to now is 321.2 secs Computing kpt #: 225 total cpu time spent up to now is 322.4 secs Computing kpt #: 226 total cpu time spent up to now is 323.5 secs Computing kpt #: 227 total cpu time spent up to now is 325.0 secs Computing kpt #: 228 total cpu time spent up to now is 326.4 secs Computing kpt #: 229 total cpu time spent up to now is 327.5 secs Computing kpt #: 230 total cpu time spent up to now is 328.7 secs Computing kpt #: 231 total cpu time spent up to now is 329.8 secs Computing kpt #: 232 total cpu time spent up to now is 331.0 secs Computing kpt #: 233 total cpu time spent up to now is 332.1 secs Computing kpt #: 234 total cpu time spent up to now is 333.2 secs Computing kpt #: 235 total cpu time spent up to now is 334.4 secs Computing kpt #: 236 total cpu time spent up to now is 335.5 secs Computing kpt #: 237 total cpu time spent up to now is 336.7 secs Computing kpt #: 238 total cpu time spent up to now is 337.9 secs Computing kpt #: 239 total cpu time spent up to now is 339.0 secs Computing kpt #: 240 total cpu time spent up to now is 340.1 secs Computing kpt #: 241 total cpu time spent up to now is 341.4 secs Computing kpt #: 242 total cpu time spent up to now is 342.6 secs Computing kpt #: 243 total cpu time spent up to now is 343.9 secs Computing kpt #: 244 total cpu time spent up to now is 345.1 secs Computing kpt #: 245 total cpu time spent up to now is 346.4 secs Computing kpt #: 246 total cpu time spent up to now is 347.7 secs Computing kpt #: 247 total cpu time spent up to now is 349.0 secs Computing kpt #: 248 total cpu time spent up to now is 350.2 secs Computing kpt #: 249 total cpu time spent up to now is 351.5 secs Computing kpt #: 250 total cpu time spent up to now is 352.8 secs Computing kpt #: 251 total cpu time spent up to now is 354.1 secs Computing kpt #: 252 total cpu time spent up to now is 355.5 secs Computing kpt #: 253 total cpu time spent up to now is 356.8 secs Computing kpt #: 254 total cpu time spent up to now is 358.2 secs Computing kpt #: 255 total cpu time spent up to now is 359.6 secs Computing kpt #: 256 total cpu time spent up to now is 361.1 secs Computing kpt #: 257 total cpu time spent up to now is 362.5 secs Computing kpt #: 258 total cpu time spent up to now is 364.0 secs Computing kpt #: 259 total cpu time spent up to now is 365.5 secs Computing kpt #: 260 total cpu time spent up to now is 367.7 secs Computing kpt #: 261 total cpu time spent up to now is 370.2 secs Computing kpt #: 262 total cpu time spent up to now is 372.3 secs Computing kpt #: 263 total cpu time spent up to now is 373.9 secs Computing kpt #: 264 total cpu time spent up to now is 375.4 secs Computing kpt #: 265 total cpu time spent up to now is 376.8 secs Computing kpt #: 266 total cpu time spent up to now is 378.1 secs Computing kpt #: 267 total cpu time spent up to now is 379.4 secs Computing kpt #: 268 total cpu time spent up to now is 380.5 secs Computing kpt #: 269 total cpu time spent up to now is 381.7 secs Computing kpt #: 270 total cpu time spent up to now is 382.9 secs Computing kpt #: 271 total cpu time spent up to now is 384.2 secs Computing kpt #: 272 total cpu time spent up to now is 385.4 secs Computing kpt #: 273 total cpu time spent up to now is 386.6 secs Computing kpt #: 274 total cpu time spent up to now is 387.7 secs Computing kpt #: 275 total cpu time spent up to now is 388.8 secs Computing kpt #: 276 total cpu time spent up to now is 390.1 secs Computing kpt #: 277 total cpu time spent up to now is 391.4 secs Computing kpt #: 278 total cpu time spent up to now is 392.5 secs Computing kpt #: 279 total cpu time spent up to now is 393.6 secs Computing kpt #: 280 total cpu time spent up to now is 394.6 secs Computing kpt #: 281 total cpu time spent up to now is 396.0 secs Computing kpt #: 282 total cpu time spent up to now is 397.0 secs Computing kpt #: 283 total cpu time spent up to now is 398.0 secs Computing kpt #: 284 total cpu time spent up to now is 399.0 secs Computing kpt #: 285 total cpu time spent up to now is 399.9 secs Computing kpt #: 286 total cpu time spent up to now is 400.9 secs Computing kpt #: 287 total cpu time spent up to now is 401.8 secs Computing kpt #: 288 total cpu time spent up to now is 403.4 secs Computing kpt #: 289 total cpu time spent up to now is 404.8 secs Computing kpt #: 290 total cpu time spent up to now is 406.2 secs Computing kpt #: 291 total cpu time spent up to now is 407.7 secs Computing kpt #: 292 total cpu time spent up to now is 409.1 secs Computing kpt #: 293 total cpu time spent up to now is 410.5 secs Computing kpt #: 294 total cpu time spent up to now is 411.9 secs Computing kpt #: 295 total cpu time spent up to now is 413.3 secs Computing kpt #: 296 total cpu time spent up to now is 414.7 secs Computing kpt #: 297 total cpu time spent up to now is 416.0 secs Computing kpt #: 298 total cpu time spent up to now is 417.4 secs Computing kpt #: 299 total cpu time spent up to now is 418.7 secs Computing kpt #: 300 total cpu time spent up to now is 420.3 secs Computing kpt #: 301 total cpu time spent up to now is 421.7 secs Computing kpt #: 302 total cpu time spent up to now is 423.0 secs Computing kpt #: 303 total cpu time spent up to now is 424.4 secs Computing kpt #: 304 total cpu time spent up to now is 426.0 secs Computing kpt #: 305 total cpu time spent up to now is 427.4 secs Computing kpt #: 306 total cpu time spent up to now is 429.5 secs Computing kpt #: 307 total cpu time spent up to now is 431.7 secs Computing kpt #: 308 total cpu time spent up to now is 433.2 secs Computing kpt #: 309 total cpu time spent up to now is 434.6 secs Computing kpt #: 310 total cpu time spent up to now is 436.6 secs Computing kpt #: 311 total cpu time spent up to now is 438.2 secs Computing kpt #: 312 total cpu time spent up to now is 440.0 secs Computing kpt #: 313 total cpu time spent up to now is 441.4 secs Computing kpt #: 314 total cpu time spent up to now is 443.1 secs Computing kpt #: 315 total cpu time spent up to now is 444.0 secs Computing kpt #: 316 total cpu time spent up to now is 444.9 secs Computing kpt #: 317 total cpu time spent up to now is 445.8 secs Computing kpt #: 318 total cpu time spent up to now is 446.6 secs Computing kpt #: 319 total cpu time spent up to now is 447.5 secs Computing kpt #: 320 total cpu time spent up to now is 448.3 secs Computing kpt #: 321 total cpu time spent up to now is 449.2 secs Computing kpt #: 322 total cpu time spent up to now is 450.2 secs Computing kpt #: 323 total cpu time spent up to now is 451.2 secs Computing kpt #: 324 total cpu time spent up to now is 452.2 secs Computing kpt #: 325 total cpu time spent up to now is 453.1 secs Computing kpt #: 326 total cpu time spent up to now is 454.0 secs Computing kpt #: 327 total cpu time spent up to now is 455.0 secs Computing kpt #: 328 total cpu time spent up to now is 456.0 secs Computing kpt #: 329 total cpu time spent up to now is 457.0 secs Computing kpt #: 330 total cpu time spent up to now is 457.9 secs Computing kpt #: 331 total cpu time spent up to now is 458.9 secs Computing kpt #: 332 total cpu time spent up to now is 459.9 secs Computing kpt #: 333 total cpu time spent up to now is 460.9 secs Computing kpt #: 334 total cpu time spent up to now is 462.0 secs Computing kpt #: 335 total cpu time spent up to now is 463.0 secs Computing kpt #: 336 total cpu time spent up to now is 464.1 secs Computing kpt #: 337 total cpu time spent up to now is 465.1 secs Computing kpt #: 338 total cpu time spent up to now is 466.2 secs Computing kpt #: 339 total cpu time spent up to now is 467.4 secs Computing kpt #: 340 total cpu time spent up to now is 468.6 secs Computing kpt #: 341 total cpu time spent up to now is 469.7 secs ethr = 2.78E-11, avg # of iterations = 25.7 total cpu time spent up to now is 469.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3849 PWs) bands (ev): -7.9968 -7.9968 -7.4272 -7.4272 -3.6457 -3.6457 -3.5215 -3.5215 -2.9911 -2.9911 -2.9473 -2.9473 -2.7951 -2.7951 -1.7836 -1.7836 -1.7159 -1.7159 -1.4354 -1.4354 -1.4304 -1.4304 -1.3300 -1.3300 0.3470 0.3470 2.6309 2.6309 2.7826 2.7826 4.1787 4.1787 4.5392 4.5392 4.5599 4.5599 5.0651 5.0651 7.6742 7.6742 8.0098 8.0098 10.0736 10.0736 k = 0.0000 0.0135-0.0000 ( 3831 PWs) bands (ev): -7.9963 -7.9963 -7.4273 -7.4272 -3.6470 -3.6439 -3.5258 -3.5169 -2.9957 -2.9860 -2.9491 -2.9450 -2.7957 -2.7943 -1.7847 -1.7824 -1.7184 -1.7132 -1.4384 -1.4322 -1.4318 -1.4288 -1.3302 -1.3296 0.3446 0.3501 2.6252 2.6336 2.7794 2.7827 4.1715 4.1727 4.5269 4.5280 4.5486 4.5499 5.0903 5.0911 7.6773 7.6804 8.0099 8.0173 10.0729 10.0752 k = 0.0000 0.0270-0.0000 ( 3827 PWs) bands (ev): -7.9948 -7.9948 -7.4273 -7.4271 -3.6482 -3.6421 -3.5300 -3.5122 -3.0002 -2.9809 -2.9506 -2.9425 -2.7963 -2.7935 -1.7857 -1.7811 -1.7209 -1.7106 -1.4413 -1.4330 -1.4291 -1.4270 -1.3304 -1.3293 0.3429 0.3540 2.6159 2.6330 2.7735 2.7804 4.1500 4.1517 4.4794 4.4804 4.5407 4.5431 5.1561 5.1570 7.6892 7.6953 8.0181 8.0329 10.0727 10.0777 k = 0.0000 0.0405-0.0000 ( 3827 PWs) bands (ev): -7.9924 -7.9924 -7.4273 -7.4270 -3.6492 -3.6400 -3.5341 -3.5074 -3.0044 -2.9757 -2.9517 -2.9397 -2.7968 -2.7927 -1.7867 -1.7797 -1.7233 -1.7079 -1.4442 -1.4340 -1.4258 -1.4249 -1.3305 -1.3289 0.3419 0.3585 2.6019 2.6279 2.7665 2.7771 4.1103 4.1114 4.4200 4.4211 4.5339 4.5372 5.2447 5.2451 7.7086 7.7177 8.0353 8.0575 10.0720 10.0803 k = 0.0000 0.0541-0.0000 ( 3827 PWs) bands (ev): -7.9889 -7.9889 -7.4273 -7.4269 -3.6500 -3.6377 -3.5379 -3.5024 -3.0084 -2.9707 -2.9523 -2.9366 -2.7972 -2.7920 -1.7876 -1.7782 -1.7256 -1.7051 -1.4469 -1.4349 -1.4227 -1.4226 -1.3305 -1.3285 0.3416 0.3638 2.5818 2.6162 2.7608 2.7746 4.0484 4.0492 4.3645 4.3693 4.5255 4.5296 5.3444 5.3447 7.7334 7.7453 8.0631 8.0926 10.0692 10.0817 k = 0.0000 0.0676-0.0000 ( 3819 PWs) bands (ev): -7.9846 -7.9846 -7.4273 -7.4269 -3.6506 -3.6350 -3.5416 -3.4973 -3.0120 -2.9662 -2.9520 -2.9331 -2.7974 -2.7912 -1.7884 -1.7766 -1.7279 -1.7023 -1.4495 -1.4355 -1.4203 -1.4193 -1.3304 -1.3281 0.3419 0.3698 2.5548 2.5964 2.7589 2.7745 3.9642 3.9674 4.3191 4.3281 4.5155 4.5202 5.4489 5.4502 7.7614 7.7752 8.1035 8.1396 10.0629 10.0800 k = 0.0000 0.0811-0.0000 ( 3811 PWs) bands (ev): -7.9792 -7.9792 -7.4273 -7.4268 -3.6511 -3.6321 -3.5452 -3.4921 -3.0152 -2.9630 -2.9501 -2.9293 -2.7974 -2.7904 -1.7891 -1.7749 -1.7301 -1.6995 -1.4520 -1.4361 -1.4177 -1.4161 -1.3301 -1.3277 0.3427 0.3764 2.5210 2.5683 2.7616 2.7776 3.8649 3.8701 4.2814 4.2946 4.5039 4.5092 5.5558 5.5583 7.7905 7.8050 8.1581 8.1997 10.0516 10.0735 k = 0.0000 0.0946-0.0000 ( 3803 PWs) bands (ev): -7.9730 -7.9730 -7.4274 -7.4268 -3.6514 -3.6288 -3.5486 -3.4869 -3.0182 -2.9614 -2.9464 -2.9252 -2.7972 -2.7896 -1.7898 -1.7732 -1.7323 -1.6966 -1.4544 -1.4365 -1.4149 -1.4129 -1.3297 -1.3272 0.3441 0.3836 2.4810 2.5330 2.7688 2.7840 3.7562 3.7632 4.2473 4.2645 4.4911 4.4968 5.6634 5.6673 7.8194 7.8331 8.2272 8.2733 10.0351 10.0612 k = 0.0000 0.1081-0.0000 ( 3811 PWs) bands (ev): -7.9658 -7.9658 -7.4275 -7.4268 -3.6517 -3.6254 -3.5519 -3.4816 -3.0209 -2.9608 -2.9417 -2.9209 -2.7967 -2.7890 -1.7905 -1.7713 -1.7344 -1.6938 -1.4567 -1.4367 -1.4120 -1.4099 -1.3291 -1.3268 0.3460 0.3914 2.4361 2.4922 2.7797 2.7935 3.6419 3.6504 4.2137 4.2346 4.4772 4.4832 5.7707 5.7761 7.8474 7.8591 8.3100 8.3597 10.0141 10.0435 k = 0.0000 0.1216-0.0000 ( 3803 PWs) bands (ev): -7.9578 -7.9578 -7.4277 -7.4269 -3.6518 -3.6216 -3.5550 -3.4762 -3.0232 -2.9606 -2.9365 -2.9161 -2.7959 -2.7884 -1.7911 -1.7694 -1.7364 -1.6909 -1.4589 -1.4369 -1.4089 -1.4069 -1.3283 -1.3264 0.3483 0.3998 2.3874 2.4476 2.7935 2.8058 3.5244 3.5344 4.1786 4.2032 4.4625 4.4687 5.8771 5.8842 7.8745 7.8835 8.4048 8.4576 9.9901 10.0220 k = 0.0000 0.1351-0.0000 ( 3815 PWs) bands (ev): -7.9490 -7.9489 -7.4279 -7.4270 -3.6518 -3.6175 -3.5580 -3.4710 -3.0253 -2.9606 -2.9313 -2.9112 -2.7948 -2.7879 -1.7916 -1.7674 -1.7385 -1.6881 -1.4609 -1.4370 -1.4056 -1.4042 -1.3274 -1.3261 0.3510 0.4085 2.3362 2.4007 2.8100 2.8207 3.4052 3.4166 4.1411 4.1692 4.4471 4.4535 5.9820 5.9911 7.9011 7.9070 8.5095 8.5654 9.9646 9.9987 k = 0.0000 0.1486-0.0000 ( 3809 PWs) bands (ev): -7.9393 -7.9393 -7.4283 -7.4273 -3.6516 -3.6131 -3.5608 -3.4656 -3.0270 -2.9606 -2.9260 -2.9059 -2.7932 -2.7874 -1.7921 -1.7653 -1.7404 -1.6853 -1.4629 -1.4370 -1.4023 -1.4016 -1.3262 -1.3257 0.3540 0.4177 2.2836 2.3525 2.8287 2.8378 3.2852 3.2979 4.1005 4.1321 4.4312 4.4378 6.0853 6.0964 7.9274 7.9300 8.6221 8.6814 9.9393 9.9752 k = 0.0000 0.1622-0.0000 ( 3817 PWs) bands (ev): -7.9289 -7.9288 -7.4288 -7.4278 -3.6513 -3.6084 -3.5635 -3.4603 -3.0285 -2.9607 -2.9210 -2.9003 -2.7912 -2.7870 -1.7926 -1.7631 -1.7422 -1.6826 -1.4647 -1.4369 -1.3993 -1.3988 -1.3254 -1.3248 0.3573 0.4271 2.2309 2.3043 2.8494 2.8570 3.1652 3.1792 4.0566 4.0914 4.4148 4.4215 6.1866 6.2000 7.9530 7.9539 8.7404 8.8035 9.9153 9.9533 k = 0.0000 0.1757-0.0000 ( 3809 PWs) bands (ev): -7.9177 -7.9177 -7.4294 -7.4284 -3.6509 -3.6033 -3.5660 -3.4550 -3.0295 -2.9607 -2.9162 -2.8944 -2.7887 -2.7866 -1.7929 -1.7608 -1.7440 -1.6799 -1.4664 -1.4368 -1.3972 -1.3953 -1.3252 -1.3233 0.3607 0.4367 2.1789 2.2571 2.8720 2.8780 3.0457 3.0610 4.0091 4.0471 4.3978 4.4048 6.2858 6.3016 7.9764 7.9806 8.8626 8.9299 9.8940 9.9341 k = 0.0000 0.1892-0.0000 ( 3815 PWs) bands (ev): -7.9059 -7.9058 -7.4303 -7.4292 -3.6504 -3.5979 -3.5684 -3.4499 -3.0303 -2.9607 -2.9118 -2.8883 -2.7865 -2.7859 -1.7933 -1.7585 -1.7457 -1.6773 -1.4680 -1.4367 -1.3953 -1.3917 -1.3251 -1.3216 0.3643 0.4464 2.1286 2.2116 2.8959 2.8970 2.9307 2.9439 3.9583 3.9993 4.3803 4.3875 6.3828 6.4012 8.0003 8.0079 8.9865 9.0584 9.8764 9.9189 k = 0.0000 0.2027-0.0000 ( 3821 PWs) bands (ev): -7.8934 -7.8933 -7.4314 -7.4302 -3.6497 -3.5925 -3.5705 -3.4449 -3.0309 -2.9608 -2.9077 -2.8820 -2.7864 -2.7826 -1.7935 -1.7563 -1.7472 -1.6749 -1.4694 -1.4365 -1.3937 -1.3881 -1.3251 -1.3198 0.3680 0.4560 2.0809 2.1688 2.8065 2.8265 2.9229 2.9281 3.9041 3.9480 4.3622 4.3697 6.4775 6.4987 8.0247 8.0357 9.1098 9.1867 9.8636 9.9089 k = 0.0000 0.2162-0.0000 ( 3825 PWs) bands (ev): -7.8803 -7.8803 -7.4327 -7.4315 -3.6489 -3.5870 -3.5722 -3.4401 -3.0311 -2.9608 -2.9038 -2.8754 -2.7864 -2.7790 -1.7937 -1.7542 -1.7484 -1.6727 -1.4707 -1.4363 -1.3923 -1.3845 -1.3252 -1.3179 0.3719 0.4656 2.0366 2.1294 2.6904 2.7116 2.9502 2.9539 3.8467 3.8934 4.3433 4.3511 6.5698 6.5940 8.0498 8.0641 9.2300 9.3118 9.8567 9.9057 k = 0.0000 0.2297-0.0000 ( 3829 PWs) bands (ev): -7.8667 -7.8666 -7.4343 -7.4331 -3.6481 -3.5825 -3.5724 -3.4355 -3.0311 -2.9610 -2.9003 -2.8686 -2.7865 -2.7749 -1.7939 -1.7529 -1.7488 -1.6706 -1.4719 -1.4362 -1.3912 -1.3810 -1.3254 -1.3161 0.3759 0.4750 1.9964 2.0939 2.5754 2.5983 2.9792 2.9817 3.7864 3.8358 4.3238 4.3319 6.6598 6.6869 8.0754 8.0931 9.3441 9.4302 9.8572 9.9113 k = 0.0000 0.2432-0.0000 ( 3829 PWs) bands (ev): -7.8526 -7.8525 -7.4362 -7.4349 -3.6471 -3.5811 -3.5692 -3.4311 -3.0308 -2.9612 -2.8970 -2.8616 -2.7868 -2.7705 -1.7939 -1.7532 -1.7474 -1.6687 -1.4730 -1.4361 -1.3902 -1.3774 -1.3259 -1.3144 0.3801 0.4843 1.9609 2.0630 2.4620 2.4867 3.0095 3.0110 3.7235 3.7754 4.3034 4.3118 6.7473 6.7776 8.1016 8.1225 9.4486 9.5372 9.8670 9.9283 k = 0.0000 0.2568-0.0000 ( 3825 PWs) bands (ev): -7.8381 -7.8380 -7.4385 -7.4372 -3.6460 -3.5820 -3.5633 -3.4269 -3.0302 -2.9615 -2.8939 -2.8545 -2.7871 -2.7659 -1.7939 -1.7542 -1.7451 -1.6670 -1.4738 -1.4361 -1.3893 -1.3740 -1.3265 -1.3127 0.3847 0.4933 1.9306 2.0369 2.3506 2.3772 3.0411 3.0417 3.6581 3.7125 4.2821 4.2909 6.8323 6.8658 8.1281 8.1523 9.5394 9.6277 9.8884 9.9602 k = 0.0000 0.2703-0.0000 ( 3825 PWs) bands (ev): -7.8232 -7.8231 -7.4411 -7.4398 -3.6448 -3.5836 -3.5564 -3.4230 -3.0294 -2.9619 -2.8909 -2.8472 -2.7875 -2.7612 -1.7938 -1.7555 -1.7426 -1.6657 -1.4746 -1.4361 -1.3887 -1.3706 -1.3275 -1.3113 0.3898 0.5022 1.9059 2.0161 2.2413 2.2698 3.0737 3.0738 3.5905 3.6474 4.2600 4.2690 6.9148 6.9516 8.1548 8.1823 9.6136 9.6985 9.9229 10.0081 k = 0.0000 0.2838-0.0000 ( 3817 PWs) bands (ev): -7.8080 -7.8078 -7.4442 -7.4428 -3.6435 -3.5853 -3.5490 -3.4194 -3.0283 -2.9624 -2.8881 -2.8399 -2.7880 -2.7564 -1.7936 -1.7567 -1.7400 -1.6645 -1.4752 -1.4362 -1.3881 -1.3673 -1.3286 -1.3101 0.3957 0.5111 1.8869 2.0006 2.1346 2.1649 3.1067 3.1077 3.5211 3.5803 4.2368 4.2461 6.9948 7.0348 8.1815 8.2122 9.6714 9.7520 9.9690 10.0681 k = 0.0000 0.2973-0.0000 ( 3813 PWs) bands (ev): -7.7925 -7.7923 -7.4476 -7.4463 -3.6421 -3.5871 -3.5413 -3.4162 -3.0270 -2.9631 -2.8853 -2.8326 -2.7887 -2.7516 -1.7933 -1.7579 -1.7373 -1.6638 -1.4756 -1.4365 -1.3876 -1.3642 -1.3301 -1.3093 0.4025 0.5202 1.8735 1.9902 2.0310 2.0631 3.1408 3.1425 3.4501 3.5116 4.2126 4.2222 7.0722 7.1153 8.2081 8.2419 9.7171 9.7947 10.0215 10.1321 k = 0.0000 0.3108-0.0000 ( 3817 PWs) bands (ev): -7.7768 -7.7767 -7.4516 -7.4502 -3.6406 -3.5889 -3.5335 -3.4135 -3.0255 -2.9639 -2.8825 -2.8256 -2.7893 -2.7471 -1.7929 -1.7591 -1.7346 -1.6633 -1.4759 -1.4368 -1.3873 -1.3611 -1.3319 -1.3088 0.4105 0.5298 1.8623 1.9340 1.9579 1.9915 3.1759 3.1782 3.3779 3.4416 4.1874 4.1972 7.1470 7.1929 8.2343 8.2711 9.7562 9.8327 10.0742 10.1933 k = 0.0000 0.3243-0.0000 ( 3817 PWs) bands (ev): -7.7611 -7.7608 -7.4560 -7.4547 -3.6391 -3.5907 -3.5255 -3.4112 -3.0238 -2.9649 -2.8797 -2.8189 -2.7898 -2.7428 -1.7925 -1.7602 -1.7319 -1.6632 -1.4760 -1.4373 -1.3870 -1.3583 -1.3340 -1.3087 0.4201 0.5401 1.8146 1.8633 1.8824 1.9905 3.2116 3.2144 3.3050 3.3706 4.1612 4.1712 7.2190 7.2676 8.2598 8.2994 9.7930 9.8699 10.1233 10.2477 k = 0.0000 0.3378-0.0000 ( 3813 PWs) bands (ev): -7.7452 -7.7450 -7.4609 -7.4596 -3.6375 -3.5925 -3.5173 -3.4093 -3.0219 -2.9660 -2.8768 -2.8130 -2.7896 -2.7388 -1.7919 -1.7613 -1.7292 -1.6635 -1.4758 -1.4379 -1.3867 -1.3555 -1.3365 -1.3090 0.4317 0.5514 1.7238 1.7692 1.8830 1.9975 3.2278 3.2477 3.2548 3.2994 4.1339 4.1440 7.2881 7.3390 8.2845 8.3265 9.8302 9.9082 10.1666 10.2939 k = 0.0000 0.3514-0.0000 ( 3809 PWs) bands (ev): -7.7293 -7.7291 -7.4664 -7.4651 -3.6358 -3.5943 -3.5091 -3.4080 -3.0198 -2.9672 -2.8738 -2.8087 -2.7882 -2.7351 -1.7912 -1.7625 -1.7264 -1.6642 -1.4755 -1.4386 -1.3865 -1.3529 -1.3391 -1.3096 0.4454 0.5643 1.6310 1.6779 1.8944 2.0102 3.1554 3.2253 3.2867 3.2907 4.1056 4.1159 7.3542 7.4068 8.3080 8.3521 9.8692 9.9487 10.2042 10.3321 k = 0.0000 0.3649-0.0000 ( 3807 PWs) bands (ev): -7.7135 -7.7132 -7.4724 -7.4711 -3.6340 -3.5961 -3.5009 -3.4071 -3.0176 -2.9687 -2.8707 -2.8068 -2.7848 -2.7319 -1.7904 -1.7636 -1.7236 -1.6652 -1.4750 -1.4396 -1.3862 -1.3504 -1.3421 -1.3106 0.4617 0.5791 1.5403 1.5896 1.9125 2.0281 3.0811 3.1534 3.3240 3.3289 4.0763 4.0866 7.4171 7.4709 8.3301 8.3758 9.9105 9.9916 10.2366 10.3635 k = 0.0000 0.3784-0.0000 ( 3805 PWs) bands (ev): -7.6979 -7.6975 -7.4789 -7.4777 -3.6322 -3.5979 -3.4928 -3.4068 -3.0152 -2.9702 -2.8675 -2.8069 -2.7797 -2.7291 -1.7894 -1.7647 -1.7207 -1.6666 -1.4743 -1.4407 -1.3859 -1.3485 -1.3448 -1.3118 0.4808 0.5961 1.4525 1.5044 1.9363 2.0510 3.0069 3.0812 3.3621 3.3675 4.0461 4.0564 7.4766 7.5307 8.3506 8.3972 9.9542 10.0366 10.2655 10.3902 k = 0.0000 0.3919-0.0000 ( 3812 PWs) bands (ev): -7.6824 -7.6820 -7.4861 -7.4849 -3.6304 -3.5998 -3.4848 -3.4072 -3.0127 -2.9720 -2.8642 -2.8083 -2.7739 -2.7270 -1.7884 -1.7659 -1.7178 -1.6684 -1.4733 -1.4420 -1.3855 -1.3496 -1.3449 -1.3134 0.5031 0.6157 1.3676 1.4225 1.9654 2.0785 2.9332 3.0095 3.4005 3.4064 4.0149 4.0252 7.5324 7.5858 8.3693 8.4160 10.0001 10.0830 10.2924 10.4141 k = 0.0000 0.4054-0.0000 ( 3820 PWs) bands (ev): -7.6672 -7.6667 -7.4937 -7.4926 -3.6285 -3.6017 -3.4770 -3.4081 -3.0101 -2.9739 -2.8608 -2.8106 -2.7677 -2.7255 -1.7873 -1.7672 -1.7148 -1.6705 -1.4722 -1.4435 -1.3851 -1.3528 -1.3430 -1.3151 0.5287 0.6382 1.2861 1.3440 1.9993 2.1103 2.8605 2.9385 3.4390 3.4454 3.9830 3.9932 7.5841 7.6357 8.3862 8.4319 10.0476 10.1299 10.3193 10.4375 k = 0.0000 0.4189-0.0000 ( 3818 PWs) bands (ev): -7.6523 -7.6518 -7.5020 -7.5009 -3.6266 -3.6035 -3.4693 -3.4096 -3.0074 -2.9759 -2.8572 -2.8132 -2.7617 -2.7246 -1.7860 -1.7684 -1.7118 -1.6730 -1.4708 -1.4453 -1.3844 -1.3563 -1.3409 -1.3170 0.5578 0.6640 1.2078 1.2690 2.0375 2.1458 2.7891 2.8686 3.4775 3.4842 3.9504 3.9605 7.6314 7.6798 8.4013 8.4447 10.0956 10.1756 10.3479 10.4623 k = 0.0000 0.4324-0.0000 ( 3818 PWs) bands (ev): -7.6378 -7.6373 -7.5107 -7.5097 -3.6247 -3.6053 -3.4619 -3.4116 -3.0046 -2.9781 -2.8535 -2.8162 -2.7558 -2.7243 -1.7847 -1.7697 -1.7086 -1.6757 -1.4692 -1.4472 -1.3835 -1.3598 -1.3389 -1.3189 0.5907 0.6932 1.1331 1.1976 2.0796 2.1845 2.7198 2.8003 3.5156 3.5227 3.9174 3.9272 7.6737 7.7175 8.4147 8.4543 10.1427 10.2183 10.3799 10.4890 k = 0.0000 0.4459-0.0000 ( 3824 PWs) bands (ev): -7.6238 -7.6233 -7.5199 -7.5189 -3.6228 -3.6073 -3.4549 -3.4143 -3.0018 -2.9804 -2.8497 -2.8194 -2.7503 -2.7246 -1.7833 -1.7711 -1.7054 -1.6786 -1.4674 -1.4493 -1.3824 -1.3633 -1.3369 -1.3209 0.6273 0.7260 1.0619 1.1299 2.1250 2.2253 2.6535 2.7340 3.5531 3.5603 3.8843 3.8938 7.7106 7.7482 8.4264 8.4607 10.1873 10.2557 10.4157 10.5145 k = 0.0000 0.4595-0.0000 ( 3820 PWs) bands (ev): -7.6106 -7.6100 -7.5294 -7.5285 -3.6208 -3.6091 -3.4481 -3.4175 -2.9990 -2.9828 -2.8459 -2.8229 -2.7451 -2.7256 -1.7818 -1.7726 -1.7021 -1.6817 -1.4654 -1.4515 -1.3810 -1.3666 -1.3349 -1.3229 0.6677 0.7625 0.9945 1.0660 2.1729 2.2662 2.5921 2.6706 3.5892 3.5964 3.8518 3.8607 7.7415 7.7714 8.4365 8.4640 10.2280 10.2862 10.4537 10.5289 k = 0.0000 0.4730-0.0000 ( 3830 PWs) bands (ev): -7.5985 -7.5979 -7.5387 -7.5379 -3.6189 -3.6111 -3.4418 -3.4213 -2.9963 -2.9854 -2.8420 -2.8266 -2.7404 -2.7274 -1.7803 -1.7741 -1.6987 -1.6850 -1.4633 -1.4539 -1.3794 -1.3697 -1.3330 -1.3250 0.7121 0.8024 0.9312 1.0060 2.2219 2.3023 2.5408 2.6111 3.6226 3.6292 3.8218 3.8295 7.7658 7.7866 8.4453 8.4645 10.2635 10.3073 10.4874 10.5263 k = 0.0000 0.4865-0.0000 ( 3832 PWs) bands (ev): -7.5886 -7.5881 -7.5468 -7.5463 -3.6169 -3.6131 -3.4360 -3.4257 -2.9935 -2.9880 -2.8381 -2.8304 -2.7363 -2.7297 -1.7788 -1.7756 -1.6953 -1.6884 -1.4610 -1.4563 -1.3774 -1.3725 -1.3310 -1.3270 0.7602 0.8421 0.8759 0.9500 2.2693 2.3211 2.5117 2.5586 3.6499 3.6544 3.7982 3.8033 7.7829 7.7936 8.4526 8.4625 10.2920 10.3162 10.5068 10.5180 k = 0.0000 0.5000-0.0000 ( 3846 PWs) bands (ev): -7.5840 -7.5840 -7.5503 -7.5503 -3.6150 -3.6150 -3.4307 -3.4307 -2.9907 -2.9907 -2.8343 -2.8343 -2.7328 -2.7328 -1.7772 -1.7772 -1.6919 -1.6919 -1.4587 -1.4587 -1.3752 -1.3752 -1.3291 -1.3291 0.8114 0.8114 0.8987 0.8987 2.3076 2.3076 2.5202 2.5202 3.6632 3.6632 3.7902 3.7902 7.7923 7.7923 8.4585 8.4585 10.3107 10.3107 10.5129 10.5129 k = 0.0000 0.5000-0.0000 ( 3846 PWs) bands (ev): -7.5840 -7.5840 -7.5503 -7.5503 -3.6150 -3.6150 -3.4307 -3.4307 -2.9907 -2.9907 -2.8343 -2.8343 -2.7328 -2.7328 -1.7772 -1.7772 -1.6919 -1.6919 -1.4587 -1.4587 -1.3752 -1.3752 -1.3291 -1.3291 0.8114 0.8114 0.8987 0.8987 2.3076 2.3076 2.5202 2.5202 3.6632 3.6632 3.7902 3.7902 7.7923 7.7923 8.4585 8.4585 10.3107 10.3107 10.5129 10.5129 k = 0.0135 0.5000-0.0000 ( 3834 PWs) bands (ev): -7.5838 -7.5837 -7.5501 -7.5500 -3.6180 -3.6115 -3.4342 -3.4271 -2.9922 -2.9887 -2.8378 -2.8308 -2.7330 -2.7324 -1.7777 -1.7765 -1.6939 -1.6899 -1.4586 -1.4585 -1.3775 -1.3728 -1.3292 -1.3288 0.8111 0.8114 0.8981 0.8989 2.3069 2.3094 2.5194 2.5218 3.6553 3.6627 3.7851 3.7865 7.7929 7.8013 8.4617 8.4653 10.3092 10.3128 10.5013 10.5037 k = 0.0270 0.5000-0.0000 ( 3834 PWs) bands (ev): -7.5829 -7.5829 -7.5495 -7.5493 -3.6206 -3.6076 -3.4378 -3.4237 -2.9931 -2.9862 -2.8413 -2.8273 -2.7331 -2.7319 -1.7780 -1.7756 -1.6959 -1.6879 -1.4583 -1.4582 -1.3798 -1.3705 -1.3293 -1.3286 0.8104 0.8111 0.8971 0.8988 2.3072 2.3123 2.5195 2.5242 3.6392 3.6539 3.7712 3.7740 7.8030 7.8198 8.4749 8.4820 10.3085 10.3155 10.4687 10.4696 k = 0.0405 0.5000-0.0000 ( 3826 PWs) bands (ev): -7.5815 -7.5815 -7.5484 -7.5481 -3.6228 -3.6033 -3.4413 -3.4202 -2.9936 -2.9832 -2.8449 -2.8240 -2.7329 -2.7312 -1.7781 -1.7745 -1.6978 -1.6858 -1.4578 -1.4575 -1.3821 -1.3682 -1.3293 -1.3283 0.8092 0.8103 0.8957 0.8983 2.3087 2.3162 2.5203 2.5274 3.6153 3.6372 3.7489 3.7532 7.8221 7.8471 8.4971 8.5079 10.3085 10.3174 10.4013 10.4102 k = 0.0541 0.5000-0.0000 ( 3818 PWs) bands (ev): -7.5796 -7.5795 -7.5468 -7.5464 -3.6244 -3.5985 -3.4450 -3.4169 -2.9935 -2.9796 -2.8486 -2.8207 -2.7327 -2.7304 -1.7780 -1.7731 -1.6998 -1.6839 -1.4570 -1.4566 -1.3844 -1.3660 -1.3293 -1.3280 0.8076 0.8091 0.8939 0.8974 2.3112 2.3213 2.5219 2.5314 3.5843 3.6130 3.7187 3.7246 7.8490 7.8820 8.5274 8.5419 10.2841 10.3061 10.3139 10.3321 k = 0.0676 0.5000-0.0000 ( 3814 PWs) bands (ev): -7.5771 -7.5770 -7.5448 -7.5443 -3.6257 -3.5934 -3.4486 -3.4137 -2.9929 -2.9755 -2.8523 -2.8175 -2.7323 -2.7295 -1.7778 -1.7716 -1.7018 -1.6820 -1.4561 -1.4554 -1.3868 -1.3638 -1.3293 -1.3277 0.8055 0.8074 0.8915 0.8960 2.3148 2.3274 2.5243 2.5361 3.5467 3.5821 3.6814 3.6889 7.8825 7.9232 8.5642 8.5825 10.1696 10.1912 10.2596 10.2848 k = 0.0811 0.5000-0.0000 ( 3818 PWs) bands (ev): -7.5740 -7.5739 -7.5423 -7.5418 -3.6265 -3.5881 -3.4523 -3.4106 -2.9919 -2.9710 -2.8560 -2.8145 -2.7318 -2.7285 -1.7774 -1.7699 -1.7037 -1.6801 -1.4550 -1.4540 -1.3891 -1.3617 -1.3292 -1.3274 0.8028 0.8052 0.8885 0.8941 2.3194 2.3344 2.5275 2.5415 3.5036 3.5453 3.6377 3.6470 7.9208 7.9688 8.6058 8.6278 10.0445 10.0626 10.1604 10.1833 k = 0.0946 0.5000-0.0000 ( 3818 PWs) bands (ev): -7.5705 -7.5704 -7.5394 -7.5388 -3.6269 -3.5823 -3.4560 -3.4077 -2.9904 -2.9661 -2.8597 -2.8115 -2.7312 -2.7274 -1.7768 -1.7680 -1.7057 -1.6783 -1.4537 -1.4524 -1.3914 -1.3596 -1.3290 -1.3270 0.7993 0.8023 0.8849 0.8916 2.3250 2.3424 2.5315 2.5476 3.4559 3.5036 3.5888 3.5999 7.9620 8.0169 8.6498 8.6754 9.9173 9.9325 10.0497 10.0698 k = 0.1081 0.5000-0.0000 ( 3818 PWs) bands (ev): -7.5665 -7.5664 -7.5362 -7.5355 -3.6268 -3.5762 -3.4596 -3.4048 -2.9885 -2.9607 -2.8633 -2.8086 -2.7304 -2.7262 -1.7760 -1.7658 -1.7075 -1.6765 -1.4522 -1.4504 -1.3936 -1.3577 -1.3288 -1.3266 0.7951 0.7987 0.8804 0.8884 2.3315 2.3514 2.5362 2.5543 3.4045 3.4578 3.5355 3.5486 8.0041 8.0653 8.6942 8.7228 9.7900 9.8026 9.9331 9.9510 k = 0.1216 0.5000-0.0000 ( 3818 PWs) bands (ev): -7.5620 -7.5619 -7.5325 -7.5318 -3.6263 -3.5698 -3.4632 -3.4020 -2.9862 -2.9549 -2.8669 -2.8057 -2.7295 -2.7248 -1.7751 -1.7635 -1.7094 -1.6747 -1.4506 -1.4482 -1.3958 -1.3557 -1.3284 -1.3262 0.7899 0.7943 0.8750 0.8843 2.3389 2.3612 2.5416 2.5616 3.3505 3.4089 3.4791 3.4940 8.0449 8.1118 8.7363 8.7672 9.6638 9.6738 9.8134 9.8300 k = 0.1351 0.5000-0.0000 ( 3808 PWs) bands (ev): -7.5571 -7.5570 -7.5286 -7.5277 -3.6253 -3.5630 -3.4666 -3.3993 -2.9835 -2.9487 -2.8702 -2.8028 -2.7285 -2.7234 -1.7740 -1.7609 -1.7112 -1.6730 -1.4488 -1.4457 -1.3979 -1.3539 -1.3280 -1.3257 0.7836 0.7888 0.8685 0.8792 2.3471 2.3717 2.5476 2.5694 3.2947 3.3579 3.4204 3.4373 8.0824 8.1540 8.7737 8.8057 9.5395 9.5468 9.6923 9.7086 k = 0.1486 0.5000-0.0000 ( 3812 PWs) bands (ev): -7.5518 -7.5517 -7.5243 -7.5233 -3.6240 -3.5561 -3.4701 -3.3968 -2.9805 -2.9424 -2.8735 -2.8000 -2.7274 -2.7218 -1.7728 -1.7582 -1.7129 -1.6714 -1.4470 -1.4430 -1.4000 -1.3522 -1.3275 -1.3252 0.7762 0.7823 0.8608 0.8731 2.3560 2.3830 2.5543 2.5777 3.2380 3.3054 3.3607 3.3793 8.1146 8.1902 8.8044 8.8354 9.4175 9.4220 9.5713 9.5886 k = 0.1622 0.5000-0.0000 ( 3816 PWs) bands (ev): -7.5462 -7.5460 -7.5197 -7.5187 -3.6223 -3.5490 -3.4735 -3.3944 -2.9772 -2.9359 -2.8764 -2.7972 -2.7262 -2.7202 -1.7715 -1.7553 -1.7146 -1.6699 -1.4450 -1.4401 -1.4020 -1.3505 -1.3269 -1.3248 0.7675 0.7746 0.8518 0.8658 2.3656 2.3949 2.5616 2.5863 3.1813 3.2522 3.3009 3.3210 8.1400 8.2185 8.8263 8.8540 9.2984 9.2999 9.4516 9.4713 k = 0.1757 0.5000-0.0000 ( 3816 PWs) bands (ev): -7.5402 -7.5400 -7.5149 -7.5138 -3.6202 -3.5416 -3.4769 -3.3921 -2.9736 -2.9294 -2.8788 -2.7944 -2.7249 -2.7185 -1.7701 -1.7522 -1.7162 -1.6684 -1.4429 -1.4369 -1.4038 -1.3490 -1.3261 -1.3243 0.7574 0.7655 0.8413 0.8570 2.3759 2.4074 2.5693 2.5953 3.1253 3.1988 3.2423 3.2632 8.1575 8.2379 8.8381 8.8589 9.1808 9.1828 9.3343 9.3585 k = 0.1892 0.5000-0.0000 ( 3808 PWs) bands (ev): -7.5339 -7.5337 -7.5098 -7.5087 -3.6177 -3.5341 -3.4800 -3.3898 -2.9698 -2.9232 -2.8804 -2.7914 -2.7236 -2.7167 -1.7685 -1.7489 -1.7178 -1.6670 -1.4408 -1.4335 -1.4055 -1.3475 -1.3253 -1.3237 0.7458 0.7550 0.8293 0.8468 2.3866 2.4203 2.5776 2.6044 3.0707 3.1457 3.1859 3.2067 8.1666 8.2479 8.8383 8.8477 9.0651 9.0712 9.2207 9.2524 k = 0.2027 0.5000-0.0000 ( 3812 PWs) bands (ev): -7.5274 -7.5272 -7.5046 -7.5034 -3.6150 -3.5265 -3.4832 -3.3877 -2.9659 -2.9178 -2.8809 -2.7884 -2.7222 -2.7149 -1.7668 -1.7455 -1.7193 -1.6656 -1.4386 -1.4300 -1.4070 -1.3461 -1.3244 -1.3232 0.7327 0.7431 0.8157 0.8350 2.3977 2.4335 2.5863 2.6137 3.0180 3.0931 3.1327 3.1522 8.1670 8.2483 8.8177 8.8256 8.9531 8.9647 9.1131 9.1560 k = 0.2162 0.5000-0.0000 ( 3804 PWs) bands (ev): -7.5207 -7.5205 -7.4992 -7.4980 -3.6118 -3.5187 -3.4861 -3.3857 -2.9617 -2.9138 -2.8796 -2.7853 -2.7208 -2.7130 -1.7650 -1.7419 -1.7207 -1.6644 -1.4363 -1.4265 -1.4081 -1.3448 -1.3234 -1.3226 0.7180 0.7295 0.8003 0.8215 2.4091 2.4469 2.5954 2.6229 2.9678 3.0418 3.0833 3.1002 8.1591 8.2395 8.7663 8.7967 8.8457 8.8642 9.0150 9.0722 k = 0.2297 0.5000-0.0000 ( 3812 PWs) bands (ev): -7.5138 -7.5137 -7.4937 -7.4925 -3.6085 -3.5111 -3.4888 -3.3839 -2.9575 -2.9116 -2.8761 -2.7822 -2.7196 -2.7112 -1.7632 -1.7381 -1.7221 -1.6632 -1.4340 -1.4233 -1.4087 -1.3436 -1.3223 -1.3221 0.7018 0.7144 0.7832 0.8062 2.4207 2.4605 2.6047 2.6319 2.9204 2.9924 3.0378 3.0513 8.1434 8.2223 8.6951 8.7349 8.7555 8.7694 8.9320 9.0015 k = 0.2432 0.5000-0.0000 ( 3814 PWs) bands (ev): -7.5069 -7.5067 -7.4881 -7.4869 -3.6049 -3.5039 -3.4909 -3.3822 -2.9534 -2.9111 -2.8706 -2.7788 -2.7183 -2.7093 -1.7613 -1.7343 -1.7234 -1.6621 -1.4317 -1.4208 -1.4082 -1.3424 -1.3216 -1.3212 0.6840 0.6977 0.7645 0.7891 2.4324 2.4741 2.6142 2.6406 2.8762 2.9460 2.9963 3.0058 8.1210 8.1977 8.6115 8.6381 8.6777 8.6836 8.8671 8.9408 k = 0.2568 0.5000-0.0000 ( 3820 PWs) bands (ev): -7.4998 -7.4997 -7.4825 -7.4813 -3.6012 -3.4995 -3.4902 -3.3805 -2.9493 -2.9116 -2.8637 -2.7753 -2.7170 -2.7075 -1.7594 -1.7304 -1.7245 -1.6611 -1.4295 -1.4195 -1.4062 -1.3413 -1.3210 -1.3201 0.6649 0.6795 0.7441 0.7703 2.4440 2.4875 2.6239 2.6486 2.8355 2.9032 2.9587 2.9641 8.0927 8.1667 8.5241 8.5431 8.5868 8.6003 8.8146 8.8859 k = 0.2703 0.5000-0.0000 ( 3820 PWs) bands (ev): -7.4928 -7.4927 -7.4769 -7.4757 -3.5973 -3.4999 -3.4845 -3.3789 -2.9453 -2.9127 -2.8559 -2.7715 -2.7158 -2.7056 -1.7575 -1.7271 -1.7249 -1.6601 -1.4273 -1.4192 -1.4028 -1.3401 -1.3205 -1.3189 0.6445 0.6599 0.7222 0.7497 2.4555 2.5007 2.6336 2.6557 2.7984 2.8647 2.9250 2.9264 8.0597 8.1304 8.4373 8.4526 8.4971 8.5120 8.7673 8.8334 k = 0.2838 0.5000-0.0000 ( 3824 PWs) bands (ev): -7.4859 -7.4857 -7.4714 -7.4701 -3.5933 -3.5020 -3.4771 -3.3775 -2.9415 -2.9140 -2.8476 -2.7675 -2.7147 -2.7038 -1.7555 -1.7272 -1.7218 -1.6593 -1.4252 -1.4195 -1.3986 -1.3389 -1.3199 -1.3178 0.6230 0.6391 0.6990 0.7275 2.4667 2.5135 2.6432 2.6614 2.7651 2.8313 2.8928 2.8951 8.0230 8.0900 8.3531 8.3670 8.4098 8.4235 8.7215 8.7820 k = 0.2973 0.5000-0.0000 ( 3828 PWs) bands (ev): -7.4790 -7.4789 -7.4660 -7.4647 -3.5893 -3.5044 -3.4694 -3.3761 -2.9379 -2.9154 -2.8390 -2.7633 -2.7137 -2.7021 -1.7536 -1.7281 -1.7177 -1.6585 -1.4232 -1.4200 -1.3939 -1.3377 -1.3194 -1.3167 0.6006 0.6173 0.6748 0.7040 2.4775 2.5258 2.6525 2.6651 2.7356 2.8036 2.8632 2.8690 7.9838 8.0464 8.2723 8.2863 8.3256 8.3372 8.6760 8.7312 k = 0.3108 0.5000-0.0000 ( 3824 PWs) bands (ev): -7.4723 -7.4722 -7.4606 -7.4594 -3.5851 -3.5068 -3.4617 -3.3749 -2.9345 -2.9167 -2.8301 -2.7589 -2.7129 -2.7004 -1.7517 -1.7290 -1.7134 -1.6579 -1.4214 -1.4205 -1.3889 -1.3365 -1.3189 -1.3157 0.5777 0.5946 0.6498 0.6794 2.4879 2.5375 2.6608 2.6660 2.7106 2.7823 2.8377 2.8463 7.9430 8.0008 8.1953 8.2107 8.2455 8.2543 8.6308 8.6810 k = 0.3243 0.5000-0.0000 ( 3824 PWs) bands (ev): -7.4658 -7.4657 -7.4555 -7.4543 -3.5810 -3.5092 -3.4540 -3.3738 -2.9314 -2.9179 -2.8213 -2.7542 -2.7122 -2.6988 -1.7498 -1.7299 -1.7092 -1.6573 -1.4209 -1.4197 -1.3837 -1.3351 -1.3184 -1.3148 0.5544 0.5715 0.6243 0.6539 2.4976 2.5485 2.6636 2.6653 2.6925 2.7678 2.8161 2.8271 7.9017 7.9542 8.1223 8.1401 8.1699 8.1756 8.5862 8.6317 k = 0.3378 0.5000-0.0000 ( 3824 PWs) bands (ev): -7.4595 -7.4594 -7.4505 -7.4494 -3.5770 -3.5115 -3.4466 -3.3729 -2.9287 -2.9190 -2.8125 -2.7495 -2.7117 -2.6973 -1.7481 -1.7307 -1.7050 -1.6568 -1.4212 -1.4182 -1.3785 -1.3338 -1.3179 -1.3140 0.5312 0.5482 0.5987 0.6280 2.5066 2.5587 2.6579 2.6583 2.6893 2.7594 2.7981 2.8109 7.8608 7.9077 8.0536 8.0744 8.0992 8.1016 8.5426 8.5838 k = 0.3514 0.5000-0.0000 ( 3824 PWs) bands (ev): -7.4535 -7.4535 -7.4458 -7.4447 -3.5730 -3.5138 -3.4393 -3.3721 -2.9262 -2.9198 -2.8038 -2.7446 -2.7115 -2.6960 -1.7464 -1.7314 -1.7008 -1.6565 -1.4214 -1.4168 -1.3732 -1.3324 -1.3174 -1.3134 0.5084 0.5250 0.5734 0.6020 2.5150 2.5680 2.6441 2.6513 2.6951 2.7557 2.7834 2.7977 7.8211 7.8623 7.9893 8.0133 8.0326 8.0335 8.5006 8.5377 k = 0.3649 0.5000-0.0000 ( 3816 PWs) bands (ev): -7.4479 -7.4479 -7.4414 -7.4403 -3.5690 -3.5160 -3.4323 -3.3715 -2.9241 -2.9205 -2.7952 -2.7395 -2.7114 -2.6948 -1.7448 -1.7320 -1.6966 -1.6563 -1.4215 -1.4157 -1.3678 -1.3309 -1.3170 -1.3129 0.4862 0.5024 0.5488 0.5763 2.5226 2.5763 2.6311 2.6440 2.7024 2.7547 2.7719 2.7870 7.7835 7.8189 7.9296 7.9566 7.9690 7.9729 8.4606 8.4939 k = 0.3784 0.5000-0.0000 ( 3818 PWs) bands (ev): -7.4427 -7.4427 -7.4372 -7.4362 -3.5653 -3.5183 -3.4255 -3.3712 -2.9223 -2.9210 -2.7870 -2.7346 -2.7117 -2.6939 -1.7434 -1.7326 -1.6926 -1.6563 -1.4214 -1.4148 -1.3626 -1.3294 -1.3167 -1.3127 0.4651 0.4805 0.5253 0.5513 2.5294 2.5835 2.6203 2.6375 2.7096 2.7551 2.7632 2.7786 7.7486 7.7784 7.8747 7.9035 7.9115 7.9174 8.4231 8.4527 k = 0.3919 0.5000-0.0000 ( 3818 PWs) bands (ev): -7.4380 -7.4380 -7.4334 -7.4325 -3.5616 -3.5204 -3.4191 -3.3710 -2.9213 -2.9209 -2.7791 -2.7296 -2.7122 -2.6931 -1.7421 -1.7331 -1.6887 -1.6564 -1.4211 -1.4142 -1.3574 -1.3279 -1.3164 -1.3127 0.4453 0.4597 0.5032 0.5274 2.5356 2.5892 2.6119 2.6322 2.7164 2.7560 2.7570 2.7721 7.7171 7.7415 7.8250 7.8534 7.8611 7.8669 8.3886 8.4147 k = 0.4054 0.5000-0.0000 ( 3818 PWs) bands (ev): -7.4337 -7.4337 -7.4299 -7.4291 -3.5582 -3.5226 -3.4131 -3.3712 -2.9214 -2.9199 -2.7715 -2.7248 -2.7131 -2.6926 -1.7409 -1.7336 -1.6850 -1.6566 -1.4208 -1.4138 -1.3524 -1.3264 -1.3162 -1.3129 0.4272 0.4404 0.4830 0.5050 2.5412 2.5921 2.6070 2.6281 2.7226 2.7529 2.7568 2.7673 7.6893 7.7087 7.7806 7.8071 7.8169 7.8215 8.3574 8.3800 k = 0.4189 0.5000-0.0000 ( 3826 PWs) bands (ev): -7.4300 -7.4300 -7.4268 -7.4261 -3.5550 -3.5248 -3.4074 -3.3717 -2.9214 -2.9192 -2.7643 -2.7202 -2.7143 -2.6924 -1.7399 -1.7340 -1.6814 -1.6571 -1.4203 -1.4136 -1.3475 -1.3250 -1.3161 -1.3134 0.4110 0.4229 0.4650 0.4846 2.5464 2.5909 2.6069 2.6251 2.7281 2.7505 2.7574 2.7637 7.6657 7.6805 7.7417 7.7658 7.7779 7.7813 8.3299 8.3492 k = 0.4324 0.5000-0.0000 ( 3838 PWs) bands (ev): -7.4268 -7.4268 -7.4241 -7.4235 -3.5519 -3.5270 -3.4022 -3.3725 -2.9212 -2.9187 -2.7576 -2.7168 -2.7151 -2.6926 -1.7390 -1.7344 -1.6781 -1.6578 -1.4197 -1.4136 -1.3429 -1.3236 -1.3161 -1.3143 0.3971 0.4073 0.4496 0.4663 2.5511 2.5874 2.6092 2.6231 2.7329 2.7497 2.7574 2.7612 7.6466 7.6570 7.7085 7.7301 7.7439 7.7465 8.3063 8.3223 k = 0.4459 0.5000-0.0000 ( 3834 PWs) bands (ev): -7.4243 -7.4243 -7.4217 -7.4212 -3.5488 -3.5291 -3.3973 -3.3736 -2.9209 -2.9185 -2.7512 -2.7182 -2.7115 -2.6931 -1.7382 -1.7348 -1.6749 -1.6587 -1.4190 -1.4138 -1.3385 -1.3223 -1.3161 -1.3154 0.3856 0.3940 0.4369 0.4506 2.5554 2.5837 2.6119 2.6217 2.7371 2.7499 2.7570 2.7593 7.6320 7.6386 7.6809 7.7000 7.7151 7.7171 8.2870 8.2997 k = 0.4595 0.5000-0.0000 ( 3822 PWs) bands (ev): -7.4223 -7.4223 -7.4198 -7.4195 -3.5459 -3.5312 -3.3928 -3.3751 -2.9204 -2.9183 -2.7453 -2.7206 -2.7077 -2.6938 -1.7375 -1.7351 -1.6720 -1.6598 -1.4182 -1.4142 -1.3344 -1.3212 -1.3168 -1.3163 0.3767 0.3832 0.4272 0.4377 2.5595 2.5802 2.6141 2.6208 2.7408 2.7507 2.7561 2.7577 7.6220 7.6252 7.6591 7.6754 7.6919 7.6936 8.2721 8.2816 k = 0.4730 0.5000-0.0000 ( 3822 PWs) bands (ev): -7.4209 -7.4209 -7.4184 -7.4182 -3.5432 -3.5334 -3.3888 -3.3770 -2.9199 -2.9184 -2.7400 -2.7235 -2.7043 -2.6951 -1.7370 -1.7354 -1.6693 -1.6612 -1.4175 -1.4146 -1.3307 -1.3207 -1.3181 -1.3167 0.3706 0.3750 0.4207 0.4278 2.5633 2.5769 2.6160 2.6200 2.7442 2.7519 2.7548 2.7563 7.6162 7.6167 7.6434 7.6561 7.6750 7.6762 8.2618 8.2681 k = 0.4865 0.5000-0.0000 ( 3820 PWs) bands (ev): -7.4201 -7.4201 -7.4176 -7.4174 -3.5405 -3.5357 -3.3852 -3.3793 -2.9194 -2.9186 -2.7351 -2.7269 -2.7015 -2.6968 -1.7365 -1.7357 -1.6669 -1.6628 -1.4167 -1.4152 -1.3273 -1.3219 -1.3183 -1.3172 0.3674 0.3696 0.4174 0.4210 2.5670 2.5737 2.6174 2.6193 2.7474 2.7528 2.7530 2.7552 7.6127 7.6136 7.6346 7.6421 7.6648 7.6655 8.2562 8.2593 k = 0.5000 0.5000-0.0000 ( 3824 PWs) bands (ev): -7.4198 -7.4198 -7.4172 -7.4172 -3.5381 -3.5381 -3.3820 -3.3820 -2.9190 -2.9190 -2.7308 -2.7308 -2.6990 -2.6990 -1.7361 -1.7361 -1.6647 -1.6647 -1.4159 -1.4159 -1.3243 -1.3243 -1.3177 -1.3177 0.3670 0.3670 0.4176 0.4176 2.5704 2.5704 2.6184 2.6184 2.7502 2.7502 2.7542 2.7542 7.6123 7.6123 7.6344 7.6344 7.6616 7.6616 8.2553 8.2553 k = 0.5000 0.5000-0.0000 ( 3824 PWs) bands (ev): -7.4198 -7.4198 -7.4172 -7.4172 -3.5381 -3.5381 -3.3820 -3.3820 -2.9190 -2.9190 -2.7308 -2.7308 -2.6990 -2.6990 -1.7361 -1.7361 -1.6647 -1.6647 -1.4159 -1.4159 -1.3243 -1.3243 -1.3177 -1.3177 0.3670 0.3670 0.4176 0.4176 2.5704 2.5704 2.6184 2.6184 2.7502 2.7502 2.7542 2.7542 7.6123 7.6123 7.6344 7.6344 7.6616 7.6616 8.2553 8.2553 k = 0.4906 0.4906-0.0000 ( 3816 PWs) bands (ev): -7.4201 -7.4201 -7.4175 -7.4174 -3.5404 -3.5357 -3.3851 -3.3793 -2.9194 -2.9186 -2.7351 -2.7269 -2.7014 -2.6968 -1.7364 -1.7357 -1.6669 -1.6629 -1.4166 -1.4152 -1.3273 -1.3219 -1.3183 -1.3171 0.3672 0.3696 0.4175 0.4209 2.5669 2.5736 2.6175 2.6192 2.7471 2.7520 2.7538 2.7555 7.6126 7.6136 7.6346 7.6420 7.6647 7.6654 8.2561 8.2593 k = 0.4811 0.4811-0.0000 ( 3826 PWs) bands (ev): -7.4213 -7.4212 -7.4181 -7.4178 -3.5431 -3.5335 -3.3887 -3.3771 -2.9200 -2.9184 -2.7399 -2.7236 -2.7042 -2.6953 -1.7369 -1.7354 -1.6692 -1.6613 -1.4175 -1.4147 -1.3308 -1.3199 -1.3189 -1.3166 0.3695 0.3749 0.4215 0.4275 2.5625 2.5768 2.6170 2.6199 2.7419 2.7486 2.7581 2.7586 7.6154 7.6157 7.6432 7.6558 7.6747 7.6769 8.2616 8.2679 k = 0.4717 0.4717-0.0000 ( 3824 PWs) bands (ev): -7.4236 -7.4236 -7.4184 -7.4181 -3.5457 -3.5314 -3.3925 -3.3752 -2.9205 -2.9183 -2.7453 -2.7207 -2.7072 -2.6942 -1.7375 -1.7351 -1.6719 -1.6599 -1.4182 -1.4142 -1.3347 -1.3194 -1.3183 -1.3162 0.3725 0.3825 0.4307 0.4380 2.5561 2.5790 2.6179 2.6214 2.7343 2.7424 2.7643 2.7647 7.6197 7.6209 7.6584 7.6737 7.6926 7.6974 8.2716 8.2815 k = 0.4623 0.4623-0.0000 ( 3828 PWs) bands (ev): -7.4272 -7.4271 -7.4186 -7.4182 -3.5484 -3.5295 -3.3969 -3.3738 -2.9210 -2.9182 -2.7513 -2.7183 -2.7105 -2.6936 -1.7381 -1.7349 -1.6748 -1.6587 -1.4190 -1.4138 -1.3392 -1.3199 -1.3172 -1.3157 0.3754 0.3912 0.4460 0.4531 2.5467 2.5788 2.6209 2.6254 2.7246 2.7336 2.7727 2.7734 7.6263 7.6290 7.6778 7.6941 7.7193 7.7280 8.2864 8.3000 k = 0.4528 0.4528-0.0000 ( 3830 PWs) bands (ev): -7.4318 -7.4318 -7.4188 -7.4183 -3.5512 -3.5276 -3.4015 -3.3729 -2.9215 -2.9183 -2.7578 -2.7164 -2.7137 -2.6936 -1.7387 -1.7347 -1.6779 -1.6578 -1.4197 -1.4135 -1.3440 -1.3203 -1.3171 -1.3148 0.3778 0.4001 0.4675 0.4738 2.5341 2.5750 2.6259 2.6328 2.7135 2.7224 2.7837 2.7844 7.6357 7.6397 7.7001 7.7169 7.7556 7.7683 8.3060 8.3237 k = 0.4434 0.4434-0.0000 ( 3826 PWs) bands (ev): -7.4375 -7.4375 -7.4190 -7.4184 -3.5540 -3.5259 -3.4065 -3.3723 -2.9219 -2.9186 -2.7650 -2.7170 -2.7151 -2.6939 -1.7394 -1.7345 -1.6812 -1.6570 -1.4203 -1.4134 -1.3491 -1.3206 -1.3175 -1.3136 0.3798 0.4088 0.4948 0.5002 2.5186 2.5678 2.6313 2.6437 2.7029 2.7091 2.7972 2.7976 7.6479 7.6530 7.7248 7.7421 7.8011 7.8173 8.3304 8.3526 k = 0.4340 0.4340-0.0000 ( 3820 PWs) bands (ev): -7.4442 -7.4442 -7.4191 -7.4184 -3.5568 -3.5243 -3.4119 -3.3721 -2.9222 -2.9189 -2.7728 -2.7201 -2.7145 -2.6945 -1.7402 -1.7344 -1.6848 -1.6564 -1.4207 -1.4135 -1.3544 -1.3208 -1.3182 -1.3124 0.3818 0.4172 0.5274 0.5321 2.5004 2.5579 2.6336 2.6564 2.6951 2.6965 2.8131 2.8133 7.6628 7.6688 7.7515 7.7693 7.8554 7.8746 8.3597 8.3870 k = 0.4245 0.4245-0.0000 ( 3814 PWs) bands (ev): -7.4519 -7.4519 -7.4192 -7.4185 -3.5597 -3.5229 -3.4175 -3.3723 -2.9224 -2.9194 -2.7810 -2.7231 -2.7148 -2.6952 -1.7410 -1.7343 -1.6885 -1.6559 -1.4211 -1.4138 -1.3599 -1.3210 -1.3193 -1.3111 0.3839 0.4255 0.5651 0.5692 2.4801 2.5457 2.6281 2.6624 2.6888 2.6990 2.8310 2.8318 7.6804 7.6872 7.7800 7.7979 7.9180 7.9398 8.3940 8.4269 k = 0.4151 0.4151-0.0000 ( 3810 PWs) bands (ev): -7.4605 -7.4605 -7.4194 -7.4186 -3.5626 -3.5217 -3.4234 -3.3729 -2.9226 -2.9202 -2.7897 -2.7261 -2.7160 -2.6958 -1.7420 -1.7342 -1.6924 -1.6556 -1.4213 -1.4143 -1.3653 -1.3212 -1.3206 -1.3099 0.3862 0.4339 0.6073 0.6110 2.4580 2.5319 2.6146 2.6492 2.7026 2.7107 2.8511 2.8527 7.7004 7.7080 7.8096 7.8271 7.9883 8.0125 8.4333 8.4723 k = 0.4057 0.4057-0.0000 ( 3806 PWs) bands (ev): -7.4700 -7.4700 -7.4196 -7.4187 -3.5656 -3.5208 -3.4295 -3.3738 -2.9227 -2.9212 -2.7988 -2.7289 -2.7183 -2.6964 -1.7430 -1.7343 -1.6963 -1.6554 -1.4213 -1.4151 -1.3706 -1.3221 -1.3212 -1.3087 0.3887 0.4422 0.6538 0.6572 2.4346 2.5168 2.5966 2.6297 2.7239 2.7285 2.8736 2.8760 7.7228 7.7311 7.8398 7.8565 8.0661 8.0923 8.4775 8.5232 k = 0.3962 0.3962-0.0000 ( 3806 PWs) bands (ev): -7.4804 -7.4804 -7.4197 -7.4188 -3.5687 -3.5201 -3.4359 -3.3750 -2.9227 -2.9225 -2.8081 -2.7316 -2.7215 -2.6970 -1.7441 -1.7343 -1.7003 -1.6553 -1.4211 -1.4163 -1.3757 -1.3238 -1.3212 -1.3075 0.3914 0.4507 0.7043 0.7075 2.4101 2.5008 2.5764 2.6082 2.7484 2.7503 2.8983 2.9015 7.7473 7.7566 7.8700 7.8854 8.1508 8.1789 8.5266 8.5792 k = 0.3868 0.3868-0.0000 ( 3816 PWs) bands (ev): -7.4916 -7.4916 -7.4199 -7.4189 -3.5718 -3.5197 -3.4425 -3.3766 -2.9241 -2.9225 -2.8175 -2.7343 -2.7255 -2.6978 -1.7453 -1.7345 -1.7044 -1.6553 -1.4208 -1.4179 -1.3804 -1.3256 -1.3212 -1.3064 0.3943 0.4592 0.7586 0.7616 2.3850 2.4841 2.5552 2.5859 2.7751 2.7754 2.9251 2.9292 7.7738 7.7840 7.8997 7.9133 8.2420 8.2717 8.5803 8.6402 k = 0.3774 0.3774-0.0000 ( 3824 PWs) bands (ev): -7.5036 -7.5036 -7.4201 -7.4190 -3.5750 -3.5197 -3.4492 -3.3784 -2.9260 -2.9224 -2.8269 -2.7368 -2.7302 -2.6986 -1.7467 -1.7347 -1.7084 -1.6554 -1.4203 -1.4199 -1.3846 -1.3275 -1.3211 -1.3052 0.3973 0.4677 0.8165 0.8192 2.3597 2.4672 2.5336 2.5631 2.8025 2.8046 2.9542 2.9592 7.8019 7.8133 7.9284 7.9399 8.3393 8.3705 8.6383 8.7055 k = 0.3679 0.3679-0.0000 ( 3822 PWs) bands (ev): -7.5163 -7.5163 -7.4203 -7.4192 -3.5781 -3.5199 -3.4560 -3.3803 -2.9283 -2.9220 -2.8362 -2.7391 -2.7353 -2.6996 -1.7480 -1.7349 -1.7124 -1.6554 -1.4223 -1.4196 -1.3883 -1.3295 -1.3210 -1.3041 0.4005 0.4761 0.8776 0.8802 2.3344 2.4503 2.5121 2.5403 2.8322 2.8359 2.9853 2.9912 7.8311 7.8438 7.9560 7.9651 8.4422 8.4747 8.7000 8.7745 k = 0.3585 0.3585-0.0000 ( 3822 PWs) bands (ev): -7.5298 -7.5298 -7.4205 -7.4193 -3.5813 -3.5205 -3.4629 -3.3824 -2.9310 -2.9214 -2.8452 -2.7414 -2.7409 -2.7009 -1.7495 -1.7353 -1.7162 -1.6556 -1.4251 -1.4187 -1.3915 -1.3315 -1.3208 -1.3031 0.4036 0.4844 0.9418 0.9442 2.3095 2.4336 2.4912 2.5179 2.8641 2.8692 3.0184 3.0252 7.8603 7.8746 7.9827 7.9890 8.5500 8.5838 8.7650 8.8465 k = 0.3491 0.3491-0.0000 ( 3826 PWs) bands (ev): -7.5438 -7.5438 -7.4208 -7.4195 -3.5845 -3.5214 -3.4698 -3.3846 -2.9341 -2.9207 -2.8539 -2.7469 -2.7436 -2.7026 -1.7511 -1.7357 -1.7199 -1.6558 -1.4283 -1.4176 -1.3943 -1.3336 -1.3206 -1.3022 0.4067 0.4925 1.0090 1.0112 2.2853 2.4175 2.4712 2.4961 2.8980 2.9044 3.0536 3.0612 7.8881 7.9041 8.0094 8.0129 8.6617 8.6974 8.8328 8.9205 k = 0.3396 0.3396-0.0000 ( 3830 PWs) bands (ev): -7.5584 -7.5584 -7.4210 -7.4197 -3.5876 -3.5227 -3.4767 -3.3869 -2.9377 -2.9199 -2.8621 -2.7532 -2.7458 -2.7045 -1.7528 -1.7362 -1.7234 -1.6560 -1.4317 -1.4164 -1.3966 -1.3358 -1.3204 -1.3013 0.4097 0.5002 1.0788 1.0808 2.2623 2.4022 2.4522 2.4754 2.9338 2.9414 3.0906 3.0990 7.9122 7.9294 8.0376 8.0388 8.7757 8.8147 8.9035 8.9955 k = 0.3302 0.3302-0.0000 ( 3830 PWs) bands (ev): -7.5736 -7.5736 -7.4212 -7.4199 -3.5908 -3.5244 -3.4836 -3.3892 -2.9418 -2.9190 -2.8698 -2.7598 -2.7479 -2.7068 -1.7545 -1.7368 -1.7267 -1.6562 -1.4352 -1.4151 -1.3986 -1.3381 -1.3202 -1.3006 0.4125 0.5074 1.1512 1.1530 2.2407 2.3879 2.4347 2.4559 2.9714 2.9801 3.1294 3.1387 7.9300 7.9475 8.0693 8.0694 8.8877 8.9349 8.9796 9.0703 k = 0.3208 0.3208-0.0000 ( 3834 PWs) bands (ev): -7.5892 -7.5892 -7.4215 -7.4201 -3.5939 -3.5265 -3.4904 -3.3916 -2.9465 -2.9179 -2.8769 -2.7665 -2.7499 -2.7094 -1.7564 -1.7375 -1.7298 -1.6565 -1.4387 -1.4137 -1.4004 -1.3403 -1.3200 -1.3001 0.4151 0.5140 1.2260 1.2275 2.2209 2.3749 2.4187 2.4380 3.0106 3.0204 3.1700 3.1801 7.9396 7.9561 8.1057 8.1061 8.9871 9.0571 9.0697 9.1437 k = 0.3113 0.3113-0.0000 ( 3840 PWs) bands (ev): -7.6052 -7.6052 -7.4217 -7.4203 -3.5971 -3.5289 -3.4970 -3.3941 -2.9515 -2.9168 -2.8833 -2.7734 -2.7520 -2.7124 -1.7583 -1.7382 -1.7326 -1.6568 -1.4422 -1.4122 -1.4021 -1.3427 -1.3198 -1.2996 0.4173 0.5199 1.3030 1.3042 2.2031 2.3633 2.4045 2.4220 3.0515 3.0622 3.2122 3.2231 7.9401 7.9550 8.1470 8.1483 9.0655 9.1792 9.1795 9.2149 k = 0.3019 0.3019-0.0000 ( 3834 PWs) bands (ev): -7.6216 -7.6216 -7.4220 -7.4205 -3.6001 -3.5316 -3.5035 -3.3965 -2.9569 -2.9155 -2.8891 -2.7803 -2.7539 -2.7157 -1.7603 -1.7390 -1.7351 -1.6571 -1.4455 -1.4106 -1.4036 -1.3450 -1.3196 -1.2994 0.4191 0.5250 1.3821 1.3830 2.1876 2.3533 2.3923 2.4080 3.0938 3.1055 3.2559 3.2676 7.9316 7.9449 8.1926 8.1952 9.1298 9.2766 9.2989 9.3050 k = 0.2925 0.2925-0.0000 ( 3832 PWs) bands (ev): -7.6382 -7.6382 -7.4222 -7.4207 -3.6031 -3.5346 -3.5097 -3.3989 -2.9627 -2.9142 -2.8943 -2.7873 -2.7558 -2.7193 -1.7624 -1.7399 -1.7373 -1.6575 -1.4486 -1.4090 -1.4051 -1.3475 -1.3194 -1.2993 0.4205 0.5292 1.4632 1.4637 2.1748 2.3450 2.3822 2.3962 3.1374 3.1500 3.3011 3.3135 7.9142 7.9260 8.2418 8.2456 9.1849 9.3371 9.4194 9.4219 k = 0.2830 0.2830-0.0000 ( 3826 PWs) bands (ev): -7.6551 -7.6551 -7.4225 -7.4209 -3.6061 -3.5379 -3.5157 -3.4014 -2.9686 -2.9129 -2.8989 -2.7942 -2.7577 -2.7231 -1.7645 -1.7409 -1.7393 -1.6580 -1.4516 -1.4073 -1.4066 -1.3499 -1.3192 -1.2995 0.4213 0.5323 1.5461 1.5462 2.1648 2.3385 2.3742 2.3869 3.1823 3.1957 3.3477 3.3607 7.8880 7.8985 8.2940 8.2991 9.2313 9.3882 9.5324 9.5350 k = 0.2736 0.2736-0.0000 ( 3830 PWs) bands (ev): -7.6721 -7.6721 -7.4227 -7.4212 -3.6092 -3.5416 -3.5215 -3.4039 -2.9746 -2.9116 -2.9033 -2.8013 -2.7596 -2.7273 -1.7667 -1.7419 -1.7410 -1.6585 -1.4543 -1.4081 -1.4057 -1.3524 -1.3192 -1.2998 0.4216 0.5343 1.6301 1.6308 2.1579 2.3340 2.3685 2.3801 3.2284 3.2425 3.3955 3.4092 7.8531 7.8624 8.3488 8.3552 9.2683 9.4292 9.6297 9.6392 k = 0.2642 0.2642-0.0000 ( 3826 PWs) bands (ev): -7.6893 -7.6893 -7.4230 -7.4214 -3.6121 -3.5454 -3.5269 -3.4064 -2.9805 -2.9103 -2.9073 -2.8083 -2.7614 -2.7317 -1.7688 -1.7430 -1.7425 -1.6591 -1.4568 -1.4096 -1.4041 -1.3550 -1.3191 -1.3004 0.4213 0.5351 1.7154 1.7171 2.1543 2.3316 2.3652 2.3760 3.2754 3.2903 3.4444 3.4587 7.8096 7.8180 8.4058 8.4136 9.2949 9.4586 9.7054 9.7224 k = 0.2547 0.2547-0.0000 ( 3830 PWs) bands (ev): -7.7064 -7.7064 -7.4232 -7.4217 -3.6150 -3.5495 -3.5320 -3.4091 -2.9864 -2.9110 -2.9090 -2.8153 -2.7632 -2.7364 -1.7709 -1.7442 -1.7437 -1.6599 -1.4590 -1.4111 -1.4025 -1.3577 -1.3191 -1.3012 0.4204 0.5347 1.8016 1.8049 2.1544 2.3312 2.3644 2.3747 3.3233 3.3389 3.4943 3.5092 7.7576 7.7653 8.4646 8.4740 9.3104 9.4753 9.7495 9.7723 k = 0.2453 0.2453-0.0000 ( 3832 PWs) bands (ev): -7.7236 -7.7236 -7.4235 -7.4219 -3.6178 -3.5538 -3.5368 -3.4118 -2.9920 -2.9145 -2.9079 -2.8222 -2.7649 -2.7411 -1.7729 -1.7454 -1.7447 -1.6607 -1.4610 -1.4127 -1.4011 -1.3604 -1.3192 -1.3022 0.4190 0.5331 1.8883 1.8939 2.1588 2.3331 2.3659 2.3763 3.3719 3.3881 3.5451 3.5605 7.6976 7.7046 8.5246 8.5360 9.3145 9.4786 9.7540 9.7782 k = 0.2358 0.2358-0.0000 ( 3830 PWs) bands (ev): -7.7407 -7.7407 -7.4238 -7.4222 -3.6206 -3.5582 -3.5412 -3.4145 -2.9973 -2.9179 -2.9070 -2.8290 -2.7666 -2.7460 -1.7749 -1.7467 -1.7455 -1.6616 -1.4627 -1.4142 -1.3997 -1.3631 -1.3193 -1.3035 0.4169 0.5303 1.9737 1.9839 2.1688 2.3373 2.3701 2.3807 3.4212 3.4379 3.5965 3.6125 7.6298 7.6363 8.5854 8.5993 9.3076 9.4688 9.7180 9.7387 k = 0.2264 0.2264-0.0000 ( 3826 PWs) bands (ev): -7.7576 -7.7576 -7.4240 -7.4225 -3.6233 -3.5626 -3.5451 -3.4174 -3.0022 -2.9211 -2.9062 -2.8357 -2.7682 -2.7509 -1.7768 -1.7480 -1.7460 -1.6626 -1.4641 -1.4158 -1.3984 -1.3659 -1.3194 -1.3049 0.4142 0.5263 2.0537 2.0744 2.1884 2.3441 2.3768 2.3882 3.4709 3.4881 3.6486 3.6649 7.5547 7.5607 8.6458 8.6632 9.2908 9.4468 9.6484 9.6630 k = 0.2170 0.2170-0.0000 ( 3830 PWs) bands (ev): -7.7743 -7.7743 -7.4243 -7.4227 -3.6260 -3.5671 -3.5486 -3.4205 -3.0068 -2.9242 -2.9057 -2.8423 -2.7699 -2.7559 -1.7786 -1.7494 -1.7464 -1.6638 -1.4653 -1.4175 -1.3973 -1.3688 -1.3197 -1.3065 0.4111 0.5212 2.1169 2.1643 2.2286 2.3542 2.3865 2.3989 3.5209 3.5385 3.7011 3.7178 7.4728 7.4784 8.7044 8.7268 9.2660 9.4145 9.5551 9.5642 k = 0.2075 0.2075-0.0000 ( 3838 PWs) bands (ev): -7.7908 -7.7908 -7.4245 -7.4230 -3.6286 -3.5717 -3.5517 -3.4237 -3.0110 -2.9272 -2.9055 -2.8489 -2.7715 -2.7609 -1.7803 -1.7508 -1.7467 -1.6650 -1.4663 -1.4192 -1.3964 -1.3717 -1.3199 -1.3082 0.4074 0.5152 2.1553 2.2498 2.2956 2.3696 2.4005 2.4143 3.5711 3.5891 3.7539 3.7709 7.3847 7.3900 8.7583 8.7885 9.2362 9.3749 9.4469 9.4531 k = 0.1981 0.1981-0.0000 ( 3838 PWs) bands (ev): -7.8070 -7.8070 -7.4248 -7.4233 -3.6311 -3.5763 -3.5543 -3.4271 -3.0147 -2.9300 -2.9056 -2.8552 -2.7730 -2.7657 -1.7819 -1.7522 -1.7467 -1.6664 -1.4669 -1.4208 -1.3956 -1.3746 -1.3202 -1.3101 0.4034 0.5082 2.1813 2.3187 2.3685 2.3957 2.4269 2.4412 3.6213 3.6395 3.8067 3.8239 7.2910 7.2960 8.8025 8.8452 9.2037 9.3298 9.3330 9.3402 k = 0.1887 0.1887-0.0000 ( 3838 PWs) bands (ev): -7.8228 -7.8227 -7.4250 -7.4236 -3.6335 -3.5808 -3.5565 -3.4306 -3.0179 -2.9328 -2.9062 -2.8613 -2.7745 -2.7704 -1.7833 -1.7537 -1.7466 -1.6680 -1.4674 -1.4225 -1.3951 -1.3776 -1.3206 -1.3121 0.3990 0.5005 2.2043 2.3566 2.4092 2.4250 2.4943 2.5008 3.6713 3.6896 3.8594 3.8768 7.1923 7.1970 8.8285 8.8908 9.1550 9.2092 9.2530 9.2954 k = 0.1792 0.1792-0.0000 ( 3838 PWs) bands (ev): -7.8381 -7.8381 -7.4252 -7.4238 -3.6359 -3.5853 -3.5582 -3.4342 -3.0207 -2.9354 -2.9072 -2.8672 -2.7759 -2.7748 -1.7846 -1.7551 -1.7463 -1.6696 -1.4676 -1.4241 -1.3948 -1.3806 -1.3210 -1.3141 0.3943 0.4921 2.2273 2.3788 2.4312 2.4480 2.5854 2.5869 3.7210 3.7394 3.9119 3.9294 7.0891 7.0936 8.8280 8.9146 9.0573 9.0869 9.2366 9.2753 k = 0.1698 0.1698-0.0000 ( 3830 PWs) bands (ev): -7.8530 -7.8530 -7.4255 -7.4241 -3.6380 -3.5897 -3.5594 -3.4380 -3.0230 -2.9380 -2.9087 -2.8729 -2.7788 -2.7772 -1.7857 -1.7567 -1.7458 -1.6714 -1.4676 -1.4257 -1.3947 -1.3836 -1.3214 -1.3160 0.3894 0.4831 2.2513 2.3975 2.4515 2.4698 2.6819 2.6821 3.7701 3.7885 3.9639 3.9813 6.9821 6.9864 8.7995 8.9057 8.9422 8.9656 9.2638 9.2842 k = 0.1604 0.1604-0.0000 ( 3830 PWs) bands (ev): -7.8674 -7.8674 -7.4257 -7.4243 -3.6400 -3.5940 -3.5602 -3.4419 -3.0248 -2.9404 -2.9108 -2.8785 -2.7825 -2.7785 -1.7868 -1.7582 -1.7452 -1.6733 -1.4673 -1.4272 -1.3949 -1.3867 -1.3219 -1.3180 0.3844 0.4738 2.2762 2.4158 2.4723 2.4922 2.7806 2.7813 3.8186 3.8369 4.0151 4.0325 6.8718 6.8759 8.7480 8.8289 8.8418 8.8709 9.3127 9.3213 k = 0.1509 0.1509-0.0000 ( 3826 PWs) bands (ev): -7.8812 -7.8812 -7.4259 -7.4246 -3.6419 -3.5982 -3.5606 -3.4460 -3.0262 -2.9426 -2.9135 -2.8837 -2.7859 -2.7797 -1.7876 -1.7597 -1.7445 -1.6753 -1.4668 -1.4286 -1.3955 -1.3897 -1.3224 -1.3199 0.3794 0.4642 2.3022 2.4343 2.4941 2.5153 2.8813 2.8822 3.8662 3.8842 4.0655 4.0827 6.7586 6.7625 8.6729 8.7262 8.7298 8.8116 9.3736 9.3766 k = 0.1415 0.1415-0.0000 ( 3832 PWs) bands (ev): -7.8944 -7.8944 -7.4261 -7.4249 -3.6437 -3.6024 -3.5607 -3.4503 -3.0271 -2.9447 -2.9167 -2.8889 -2.7888 -2.7809 -1.7884 -1.7613 -1.7436 -1.6774 -1.4662 -1.4300 -1.3963 -1.3928 -1.3229 -1.3218 0.3744 0.4544 2.3289 2.4531 2.5169 2.5392 2.9835 2.9843 3.9128 3.9304 4.1146 4.1315 6.6431 6.6469 8.5744 8.6128 8.6514 8.7439 9.4409 9.4414 k = 0.1321 0.1321-0.0000 ( 3820 PWs) bands (ev): -7.9069 -7.9069 -7.4263 -7.4251 -3.6452 -3.6063 -3.5602 -3.4547 -3.0275 -2.9465 -2.9203 -2.8939 -2.7912 -2.7820 -1.7889 -1.7629 -1.7426 -1.6796 -1.4653 -1.4313 -1.3975 -1.3958 -1.3234 -1.3234 0.3696 0.4446 2.3561 2.4722 2.5403 2.5635 3.0868 3.0875 3.9581 3.9753 4.1624 4.1789 6.5258 6.5294 8.4701 8.5036 8.5803 8.6719 9.5111 9.5117 k = 0.1226 0.1226-0.0000 ( 3812 PWs) bands (ev): -7.9188 -7.9188 -7.4264 -7.4253 -3.6465 -3.6102 -3.5594 -3.4592 -3.0274 -2.9482 -2.9244 -2.8988 -2.7932 -2.7831 -1.7894 -1.7645 -1.7414 -1.6819 -1.4642 -1.4324 -1.3992 -1.3986 -1.3248 -1.3239 0.3649 0.4349 2.3836 2.4914 2.5643 2.5880 3.1909 3.1914 4.0021 4.0188 4.2086 4.2246 6.4070 6.4104 8.3683 8.3992 8.5112 8.5986 9.5829 9.5839 k = 0.1132 0.1132-0.0000 ( 3810 PWs) bands (ev): -7.9299 -7.9299 -7.4266 -7.4256 -3.6477 -3.6139 -3.5582 -3.4638 -3.0268 -2.9497 -2.9288 -2.9035 -2.7948 -2.7842 -1.7897 -1.7661 -1.7401 -1.6843 -1.4629 -1.4334 -1.4019 -1.4006 -1.3262 -1.3244 0.3605 0.4253 2.4110 2.5105 2.5885 2.6124 3.2956 3.2959 4.0447 4.0606 4.2528 4.2682 6.2871 6.2904 8.2713 8.3002 8.4440 8.5259 9.6551 9.6563 k = 0.1038 0.1038-0.0000 ( 3810 PWs) bands (ev): -7.9403 -7.9403 -7.4267 -7.4258 -3.6487 -3.6175 -3.5567 -3.4685 -3.0259 -2.9510 -2.9335 -2.9082 -2.7961 -2.7853 -1.7898 -1.7677 -1.7386 -1.6868 -1.4614 -1.4342 -1.4048 -1.4028 -1.3273 -1.3250 0.3565 0.4160 2.4380 2.5291 2.6127 2.6364 3.4006 3.4006 4.0857 4.1008 4.2948 4.3095 6.1666 6.1698 8.1799 8.2071 8.3793 8.4551 9.7262 9.7275 k = 0.0943 0.0943-0.0000 ( 3818 PWs) bands (ev): -7.9498 -7.9498 -7.4268 -7.4260 -3.6496 -3.6209 -3.5549 -3.4734 -3.0246 -2.9521 -2.9385 -2.9129 -2.7970 -2.7863 -1.7899 -1.7693 -1.7371 -1.6894 -1.4598 -1.4349 -1.4077 -1.4051 -1.3282 -1.3255 0.3528 0.4070 2.4644 2.5471 2.6364 2.6596 3.5051 3.5054 4.1252 4.1393 4.3345 4.3483 6.0458 6.0488 8.0948 8.1202 8.3179 8.3873 9.7951 9.7965 k = 0.0849 0.0849-0.0000 ( 3821 PWs) bands (ev): -7.9586 -7.9586 -7.4270 -7.4262 -3.6501 -3.6242 -3.5527 -3.4783 -3.0228 -2.9529 -2.9436 -2.9174 -2.7976 -2.7873 -1.7898 -1.7709 -1.7354 -1.6920 -1.4581 -1.4354 -1.4105 -1.4077 -1.3290 -1.3261 0.3496 0.3984 2.4897 2.5641 2.6595 2.6816 3.6090 3.6095 4.1634 4.1764 4.3714 4.3843 5.9252 5.9281 8.0166 8.0401 8.2605 8.3234 9.8602 9.8618 k = 0.0755 0.0755-0.0000 ( 3813 PWs) bands (ev): -7.9665 -7.9665 -7.4271 -7.4263 -3.6505 -3.6273 -3.5502 -3.4831 -3.0206 -2.9534 -2.9489 -2.9216 -2.7978 -2.7882 -1.7895 -1.7724 -1.7336 -1.6946 -1.4561 -1.4356 -1.4132 -1.4105 -1.3296 -1.3266 0.3468 0.3903 2.5138 2.5799 2.6814 2.7023 3.7111 3.7121 4.2007 4.2124 4.4054 4.4173 5.8052 5.8079 7.9456 7.9670 8.2078 8.2641 9.9199 9.9220 k = 0.0660 0.0660-0.0000 ( 3811 PWs) bands (ev): -7.9735 -7.9735 -7.4271 -7.4265 -3.6506 -3.6302 -3.5474 -3.4880 -3.0180 -2.9542 -2.9536 -2.9257 -2.7979 -2.7891 -1.7892 -1.7740 -1.7317 -1.6972 -1.4540 -1.4357 -1.4158 -1.4134 -1.3300 -1.3271 0.3447 0.3827 2.5364 2.5941 2.7020 2.7212 3.8103 3.8116 4.2379 4.2481 4.4362 4.4469 5.6863 5.6888 7.8821 7.9013 8.1603 8.2098 9.9722 9.9749 k = 0.0566 0.0566-0.0000 ( 3815 PWs) bands (ev): -7.9796 -7.9796 -7.4272 -7.4267 -3.6505 -3.6330 -3.5444 -3.4930 -3.0151 -2.9596 -2.9536 -2.9297 -2.7979 -2.7901 -1.7887 -1.7755 -1.7297 -1.6999 -1.4517 -1.4356 -1.4183 -1.4165 -1.3303 -1.3276 0.3430 0.3757 2.5571 2.6066 2.7209 2.7380 3.9041 3.9058 4.2765 4.2851 4.4636 4.4730 5.5692 5.5716 7.8266 7.8435 8.1186 8.1613 10.0147 10.0183 k = 0.0472 0.0472-0.0000 ( 3819 PWs) bands (ev): -7.9849 -7.9848 -7.4273 -7.4268 -3.6503 -3.6355 -3.5411 -3.4979 -3.0118 -2.9650 -2.9533 -2.9333 -2.7977 -2.7910 -1.7881 -1.7770 -1.7276 -1.7026 -1.4493 -1.4352 -1.4207 -1.4196 -1.3305 -1.3281 0.3421 0.3692 2.5757 2.6169 2.7377 2.7524 3.9890 3.9912 4.3190 4.3258 4.4874 4.4954 5.4551 5.4573 7.7794 7.7937 8.0832 8.1188 10.0449 10.0497 k = 0.0377 0.0377-0.0000 ( 3823 PWs) bands (ev): -7.9891 -7.9891 -7.4273 -7.4269 -3.6498 -3.6379 -3.5376 -3.5028 -3.0082 -2.9704 -2.9527 -2.9367 -2.7973 -2.7919 -1.7874 -1.7784 -1.7254 -1.7053 -1.4467 -1.4347 -1.4230 -1.4228 -1.3305 -1.3285 0.3417 0.3635 2.5920 2.6250 2.7522 2.7643 4.0605 4.0631 4.3681 4.3731 4.5073 4.5139 5.3456 5.3476 7.7406 7.7522 8.0543 8.0829 10.0626 10.0681 k = 0.0283 0.0283-0.0000 ( 3823 PWs) bands (ev): -7.9925 -7.9925 -7.4273 -7.4270 -3.6490 -3.6401 -3.5338 -3.5076 -3.0043 -2.9757 -2.9518 -2.9398 -2.7969 -2.7927 -1.7866 -1.7798 -1.7231 -1.7080 -1.4440 -1.4339 -1.4259 -1.4251 -1.3305 -1.3289 0.3420 0.3583 2.6058 2.6305 2.7641 2.7734 4.1148 4.1174 4.4246 4.4281 4.5234 4.5284 5.2436 5.2453 7.7106 7.7194 8.0323 8.0538 10.0703 10.0756 k = 0.0189 0.0189-0.0000 ( 3831 PWs) bands (ev): -7.9949 -7.9949 -7.4273 -7.4271 -3.6481 -3.6422 -3.5299 -3.5123 -3.0001 -2.9810 -2.9506 -2.9426 -2.7963 -2.7935 -1.7857 -1.7811 -1.7208 -1.7107 -1.4413 -1.4330 -1.4291 -1.4270 -1.3304 -1.3293 0.3430 0.3539 2.6170 2.6335 2.7733 2.7796 4.1512 4.1533 4.4833 4.4855 4.5358 4.5393 5.1547 5.1561 7.6894 7.6953 8.0174 8.0318 10.0725 10.0766 k = 0.0094 0.0094-0.0000 ( 3833 PWs) bands (ev): -7.9963 -7.9963 -7.4273 -7.4272 -3.6470 -3.6440 -3.5257 -3.5169 -2.9957 -2.9861 -2.9491 -2.9451 -2.7957 -2.7943 -1.7847 -1.7824 -1.7184 -1.7133 -1.4384 -1.4323 -1.4318 -1.4288 -1.3302 -1.3296 0.3446 0.3501 2.6254 2.6336 2.7795 2.7827 4.1717 4.1729 4.5283 4.5291 4.5477 4.5492 5.0897 5.0905 7.6773 7.6803 8.0099 8.0171 10.0729 10.0751 k = 0.0000 0.0000 0.0000 ( 3849 PWs) bands (ev): -7.9968 -7.9968 -7.4272 -7.4272 -3.6457 -3.6457 -3.5215 -3.5215 -2.9911 -2.9911 -2.9473 -2.9473 -2.7951 -2.7951 -1.7836 -1.7836 -1.7159 -1.7159 -1.4354 -1.4354 -1.4304 -1.4304 -1.3300 -1.3300 0.3470 0.3470 2.6309 2.6309 2.7826 2.7826 4.1787 4.1787 4.5392 4.5392 4.5599 4.5599 5.0651 5.0651 7.6742 7.6742 8.0098 8.0098 10.0736 10.0736 k = 0.0000 0.0000 0.0000 ( 3849 PWs) bands (ev): -7.9968 -7.9968 -7.4272 -7.4272 -3.6457 -3.6457 -3.5215 -3.5215 -2.9911 -2.9911 -2.9473 -2.9473 -2.7951 -2.7951 -1.7836 -1.7836 -1.7159 -1.7159 -1.4354 -1.4354 -1.4304 -1.4304 -1.3300 -1.3300 0.3470 0.3470 2.6309 2.6309 2.7826 2.7826 4.1787 4.1787 4.5392 4.5392 4.5599 4.5599 5.0651 5.0651 7.6742 7.6742 8.0098 8.0098 10.0736 10.0736 k = 0.0000 0.0000 0.0135 ( 3825 PWs) bands (ev): -7.9963 -7.9963 -7.4278 -7.4278 -3.6455 -3.6455 -3.5215 -3.5215 -2.9911 -2.9911 -2.9471 -2.9471 -2.7952 -2.7952 -1.7836 -1.7836 -1.7160 -1.7160 -1.4363 -1.4363 -1.4296 -1.4296 -1.3302 -1.3302 0.3499 0.3499 2.6322 2.6322 2.7839 2.7839 4.1711 4.1711 4.5207 4.5207 4.5577 4.5577 5.0900 5.0900 7.6756 7.6756 8.0106 8.0106 10.0744 10.0744 k = 0.0000 0.0000 0.0270 ( 3825 PWs) bands (ev): -7.9949 -7.9949 -7.4294 -7.4294 -3.6455 -3.6455 -3.5219 -3.5219 -2.9916 -2.9916 -2.9468 -2.9468 -2.7956 -2.7956 -1.7837 -1.7837 -1.7167 -1.7167 -1.4383 -1.4383 -1.4281 -1.4281 -1.3308 -1.3308 0.3585 0.3585 2.6359 2.6359 2.7877 2.7877 4.1473 4.1473 4.4754 4.4754 4.5511 4.5511 5.1552 5.1552 7.6799 7.6799 8.0129 8.0129 10.0763 10.0763 k = 0.0000 0.0000 0.0405 ( 3821 PWs) bands (ev): -7.9924 -7.9924 -7.4321 -7.4321 -3.6454 -3.6454 -3.5226 -3.5226 -2.9924 -2.9924 -2.9464 -2.9464 -2.7964 -2.7964 -1.7838 -1.7838 -1.7177 -1.7177 -1.4408 -1.4408 -1.4266 -1.4266 -1.3319 -1.3319 0.3728 0.3728 2.6421 2.6421 2.7939 2.7939 4.1050 4.1050 4.4217 4.4217 4.5401 4.5401 5.2448 5.2448 7.6869 7.6869 8.0168 8.0168 10.0771 10.0771 k = 0.0000 0.0000 0.0539 ( 3821 PWs) bands (ev): -7.9890 -7.9890 -7.4358 -7.4358 -3.6454 -3.6454 -3.5235 -3.5235 -2.9935 -2.9935 -2.9458 -2.9458 -2.7974 -2.7974 -1.7840 -1.7840 -1.7191 -1.7191 -1.4435 -1.4435 -1.4251 -1.4251 -1.3333 -1.3333 0.3926 0.3926 2.6508 2.6508 2.8027 2.8027 4.0432 4.0432 4.3714 4.3714 4.5249 4.5249 5.3479 5.3479 7.6968 7.6968 8.0222 8.0222 10.0727 10.0727 k = 0.0000 0.0000 0.0674 ( 3821 PWs) bands (ev): -7.9847 -7.9847 -7.4407 -7.4407 -3.6453 -3.6453 -3.5247 -3.5247 -2.9949 -2.9949 -2.9451 -2.9451 -2.7987 -2.7987 -1.7843 -1.7843 -1.7209 -1.7209 -1.4465 -1.4465 -1.4237 -1.4237 -1.3350 -1.3350 0.4178 0.4178 2.6619 2.6619 2.8139 2.8139 3.9645 3.9645 4.3279 4.3279 4.5056 4.5056 5.4587 5.4587 7.7094 7.7094 8.0289 8.0289 10.0583 10.0583 k = 0.0000 0.0000 0.0809 ( 3829 PWs) bands (ev): -7.9794 -7.9794 -7.4465 -7.4465 -3.6453 -3.6453 -3.5262 -3.5262 -2.9965 -2.9965 -2.9443 -2.9443 -2.8002 -2.8002 -1.7847 -1.7847 -1.7230 -1.7230 -1.4496 -1.4496 -1.4224 -1.4224 -1.3370 -1.3370 0.4481 0.4481 2.6754 2.6754 2.8276 2.8276 3.8735 3.8735 4.2895 4.2895 4.4824 4.4824 5.5742 5.5742 7.7249 7.7249 8.0367 8.0367 10.0305 10.0305 k = 0.0000 0.0000 0.0944 ( 3833 PWs) bands (ev): -7.9732 -7.9732 -7.4533 -7.4533 -3.6453 -3.6453 -3.5278 -3.5278 -2.9983 -2.9983 -2.9435 -2.9435 -2.8018 -2.8018 -1.7850 -1.7850 -1.7254 -1.7254 -1.4529 -1.4529 -1.4213 -1.4213 -1.3391 -1.3391 0.4835 0.4835 2.6913 2.6913 2.8436 2.8436 3.7748 3.7748 4.2535 4.2535 4.4554 4.4554 5.6926 5.6926 7.7431 7.7431 8.0455 8.0455 9.9898 9.9898 k = 0.0000 0.0000 0.1079 ( 3833 PWs) bands (ev): -7.9660 -7.9660 -7.4611 -7.4611 -3.6452 -3.6452 -3.5296 -3.5296 -3.0003 -3.0003 -2.9425 -2.9425 -2.8037 -2.8037 -1.7854 -1.7854 -1.7281 -1.7281 -1.4562 -1.4562 -1.4202 -1.4202 -1.3413 -1.3413 0.5237 0.5237 2.7095 2.7095 2.8621 2.8621 3.6715 3.6715 4.2181 4.2181 4.4250 4.4250 5.8127 5.8127 7.7642 7.7642 8.0551 8.0551 9.9384 9.9384 k = 0.0000 0.0000 0.1214 ( 3821 PWs) bands (ev): -7.9580 -7.9580 -7.4699 -7.4699 -3.6450 -3.6450 -3.5316 -3.5316 -3.0023 -3.0023 -2.9414 -2.9414 -2.8057 -2.8057 -1.7858 -1.7858 -1.7310 -1.7310 -1.4596 -1.4596 -1.4192 -1.4192 -1.3436 -1.3436 0.5684 0.5684 2.7301 2.7301 2.8828 2.8828 3.5655 3.5655 4.1820 4.1820 4.3913 4.3913 5.9338 5.9338 7.7880 7.7880 8.0651 8.0651 9.8793 9.8793 k = 0.0000 0.0000 0.1348 ( 3817 PWs) bands (ev): -7.9492 -7.9492 -7.4796 -7.4796 -3.6449 -3.6449 -3.5337 -3.5337 -3.0045 -3.0045 -2.9404 -2.9404 -2.8077 -2.8077 -1.7863 -1.7863 -1.7341 -1.7341 -1.4630 -1.4630 -1.4183 -1.4183 -1.3459 -1.3459 0.6173 0.6173 2.7528 2.7528 2.9059 2.9059 3.4581 3.4581 4.1446 4.1446 4.3546 4.3546 6.0552 6.0552 7.8144 7.8144 8.0753 8.0753 9.8144 9.8144 k = 0.0000 0.0000 0.1483 ( 3813 PWs) bands (ev): -7.9395 -7.9395 -7.4901 -7.4901 -3.6447 -3.6447 -3.5360 -3.5360 -3.0067 -3.0067 -2.9393 -2.9393 -2.8099 -2.8099 -1.7867 -1.7867 -1.7373 -1.7373 -1.4664 -1.4664 -1.4175 -1.4175 -1.3481 -1.3481 0.6704 0.6704 2.7777 2.7777 2.9311 2.9311 3.3502 3.3502 4.1057 4.1057 4.3153 4.3153 6.1765 6.1765 7.8435 7.8435 8.0854 8.0854 9.7455 9.7455 k = 0.0000 0.0000 0.1618 ( 3813 PWs) bands (ev): -7.9290 -7.9290 -7.5014 -7.5014 -3.6446 -3.6446 -3.5384 -3.5384 -3.0090 -3.0090 -2.9383 -2.9383 -2.8120 -2.8120 -1.7872 -1.7872 -1.7406 -1.7406 -1.4697 -1.4697 -1.4168 -1.4168 -1.3503 -1.3503 0.7272 0.7272 2.8047 2.8047 2.9585 2.9585 3.2421 3.2421 4.0652 4.0652 4.2735 4.2735 6.2970 6.2970 7.8750 7.8750 8.0951 8.0951 9.6737 9.6737 k = 0.0000 0.0000 0.1753 ( 3813 PWs) bands (ev): -7.9178 -7.9178 -7.5136 -7.5136 -3.6444 -3.6444 -3.5408 -3.5408 -3.0113 -3.0113 -2.9373 -2.9373 -2.8142 -2.8142 -1.7876 -1.7876 -1.7439 -1.7439 -1.4730 -1.4730 -1.4162 -1.4162 -1.3523 -1.3523 0.7876 0.7876 2.8337 2.8337 2.9878 2.9878 3.1345 3.1345 4.0231 4.0231 4.2296 4.2296 6.4165 6.4165 7.9086 7.9086 8.1043 8.1043 9.5999 9.5999 k = 0.0000 0.0000 0.1888 ( 3817 PWs) bands (ev): -7.9058 -7.9058 -7.5264 -7.5264 -3.6442 -3.6442 -3.5433 -3.5433 -3.0135 -3.0135 -2.9364 -2.9364 -2.8163 -2.8163 -1.7880 -1.7880 -1.7473 -1.7473 -1.4761 -1.4761 -1.4156 -1.4156 -1.3543 -1.3543 0.8514 0.8514 2.8643 2.8643 3.0161 3.0161 3.0306 3.0306 3.9796 3.9796 4.1838 4.1838 6.5343 6.5343 7.9437 7.9437 8.1130 8.1130 9.5250 9.5250 k = 0.0000 0.0000 0.2023 ( 3824 PWs) bands (ev): -7.8932 -7.8932 -7.5399 -7.5399 -3.6441 -3.6441 -3.5458 -3.5458 -3.0157 -3.0157 -2.9355 -2.9355 -2.8184 -2.8184 -1.7884 -1.7884 -1.7506 -1.7506 -1.4790 -1.4790 -1.4150 -1.4150 -1.3562 -1.3562 0.9184 0.9184 2.8928 2.8928 2.9248 2.9248 3.0531 3.0531 3.9348 3.9348 4.1365 4.1365 6.6499 6.6499 7.9788 7.9788 8.1222 8.1222 9.4495 9.4495 k = 0.0000 0.0000 0.2157 ( 3844 PWs) bands (ev): -7.8799 -7.8799 -7.5540 -7.5540 -3.6441 -3.6441 -3.5483 -3.5483 -3.0180 -3.0180 -2.9347 -2.9347 -2.8205 -2.8205 -1.7888 -1.7888 -1.7538 -1.7538 -1.4819 -1.4819 -1.4146 -1.4146 -1.3579 -1.3579 0.9883 0.9883 2.8125 2.8125 2.9340 2.9340 3.0880 3.0880 3.8890 3.8890 4.0879 4.0879 6.7629 6.7629 8.0111 8.0111 8.1341 8.1341 9.3739 9.3739 k = 0.0000 0.0000 0.2292 ( 3844 PWs) bands (ev): -7.8661 -7.8661 -7.5687 -7.5687 -3.6439 -3.6439 -3.5507 -3.5507 -3.0199 -3.0199 -2.9339 -2.9339 -2.8223 -2.8223 -1.7891 -1.7891 -1.7568 -1.7568 -1.4844 -1.4844 -1.4141 -1.4141 -1.3594 -1.3594 1.0610 1.0610 2.7082 2.7082 2.9697 2.9697 3.1246 3.1246 3.8423 3.8423 4.0384 4.0384 6.8727 6.8727 8.0350 8.0350 8.1539 8.1539 9.2986 9.2986 k = 0.0000 0.0000 0.2427 ( 3828 PWs) bands (ev): -7.8517 -7.8517 -7.5838 -7.5838 -3.6436 -3.6436 -3.5527 -3.5527 -3.0216 -3.0216 -2.9331 -2.9331 -2.8239 -2.8239 -1.7893 -1.7893 -1.7596 -1.7596 -1.4867 -1.4867 -1.4137 -1.4137 -1.3608 -1.3608 1.1364 1.1364 2.6045 2.6045 3.0073 3.0073 3.1626 3.1626 3.7952 3.7952 3.9881 3.9881 6.9786 6.9786 8.0457 8.0457 8.1857 8.1857 9.2237 9.2237 k = 0.0000 0.0000 0.2562 ( 3828 PWs) bands (ev): -7.8369 -7.8369 -7.5994 -7.5994 -3.6434 -3.6434 -3.5548 -3.5548 -3.0233 -3.0233 -2.9324 -2.9324 -2.8255 -2.8255 -1.7894 -1.7894 -1.7622 -1.7622 -1.4887 -1.4887 -1.4134 -1.4134 -1.3620 -1.3620 1.2142 1.2142 2.5018 2.5018 3.0463 3.0463 3.2017 3.2017 3.7480 3.7480 3.9376 3.9376 7.0798 7.0798 8.0439 8.0439 8.2285 8.2285 9.1496 9.1496 k = 0.0000 0.0000 0.2697 ( 3828 PWs) bands (ev): -7.8217 -7.8217 -7.6152 -7.6152 -3.6432 -3.6432 -3.5566 -3.5566 -3.0248 -3.0248 -2.9318 -2.9318 -2.8268 -2.8268 -1.7895 -1.7895 -1.7646 -1.7646 -1.4905 -1.4905 -1.4131 -1.4131 -1.3631 -1.3631 1.2944 1.2944 2.4002 2.4002 3.0865 3.0865 3.2414 3.2414 3.7011 3.7011 3.8871 3.8871 7.1756 7.1756 8.0330 8.0330 8.2787 8.2787 9.0762 9.0762 k = 0.0000 0.0000 0.2832 ( 3832 PWs) bands (ev): -7.8062 -7.8062 -7.6313 -7.6313 -3.6431 -3.6431 -3.5582 -3.5582 -3.0261 -3.0261 -2.9314 -2.9314 -2.8280 -2.8280 -1.7896 -1.7896 -1.7668 -1.7668 -1.4921 -1.4921 -1.4129 -1.4129 -1.3640 -1.3640 1.3767 1.3767 2.2998 2.2998 3.1275 3.1275 3.2810 3.2810 3.6554 3.6554 3.8371 3.8371 7.2648 7.2648 8.0154 8.0154 8.3339 8.3339 9.0036 9.0036 k = 0.0000 0.0000 0.2966 ( 3840 PWs) bands (ev): -7.7906 -7.7906 -7.6473 -7.6473 -3.6430 -3.6430 -3.5596 -3.5596 -3.0272 -3.0272 -2.9310 -2.9310 -2.8290 -2.8290 -1.7896 -1.7896 -1.7686 -1.7686 -1.4934 -1.4934 -1.4127 -1.4127 -1.3647 -1.3647 1.4611 1.4611 2.2008 2.2008 3.1688 3.1688 3.3193 3.3193 3.6121 3.6121 3.7883 3.7883 7.3460 7.3460 7.9930 7.9930 8.3926 8.3926 8.9318 8.9318 k = 0.0000 0.0000 0.3101 ( 3852 PWs) bands (ev): -7.7751 -7.7751 -7.6632 -7.6632 -3.6429 -3.6429 -3.5609 -3.5609 -3.0281 -3.0281 -2.9306 -2.9306 -2.8299 -2.8299 -1.7896 -1.7896 -1.7701 -1.7701 -1.4944 -1.4944 -1.4125 -1.4125 -1.3654 -1.3654 1.5475 1.5475 2.1031 2.1031 3.2095 3.2095 3.3533 3.3533 3.5740 3.5740 3.7417 3.7417 7.4170 7.4170 7.9681 7.9681 8.4542 8.4542 8.8610 8.8610 k = 0.0000 0.0000 0.3236 ( 3860 PWs) bands (ev): -7.7602 -7.7602 -7.6783 -7.6783 -3.6429 -3.6429 -3.5617 -3.5617 -3.0288 -3.0288 -2.9304 -2.9304 -2.8305 -2.8305 -1.7895 -1.7895 -1.7712 -1.7712 -1.4952 -1.4952 -1.4124 -1.4124 -1.3658 -1.3658 1.6356 1.6356 2.0069 2.0069 3.2480 3.2480 3.3774 3.3774 3.5464 3.5464 3.6995 3.6995 7.4743 7.4743 7.9437 7.9437 8.5177 8.5177 8.7911 8.7911 k = 0.0000 0.0000 0.3371 ( 3860 PWs) bands (ev): -7.7476 -7.7476 -7.6911 -7.6911 -3.6428 -3.6428 -3.5622 -3.5622 -3.0292 -3.0292 -2.9302 -2.9302 -2.8308 -2.8308 -1.7895 -1.7895 -1.7719 -1.7719 -1.4956 -1.4956 -1.4123 -1.4123 -1.3661 -1.3661 1.7250 1.7250 1.9126 1.9126 3.2799 3.2799 3.3851 3.3851 3.5355 3.5355 3.6666 3.6666 7.5129 7.5129 7.9249 7.9249 8.5824 8.5824 8.7228 8.7228 k = 0.0000 0.0000 0.3506 ( 3872 PWs) bands (ev): -7.7418 -7.7418 -7.6970 -7.6970 -3.6429 -3.6429 -3.5624 -3.5624 -3.0294 -3.0294 -2.9303 -2.9303 -2.8309 -2.8309 -1.7895 -1.7895 -1.7721 -1.7721 -1.4958 -1.4958 -1.4123 -1.4123 -1.3661 -1.3661 1.8031 1.8031 1.8329 1.8329 3.2939 3.2939 3.3835 3.3835 3.5352 3.5352 3.6530 3.6530 7.5268 7.5268 7.9177 7.9177 8.6340 8.6340 8.6700 8.6700 k = 0.0000 0.0000 0.3506 ( 3872 PWs) bands (ev): -7.7418 -7.7418 -7.6970 -7.6970 -3.6429 -3.6429 -3.5624 -3.5624 -3.0294 -3.0294 -2.9303 -2.9303 -2.8309 -2.8309 -1.7895 -1.7895 -1.7721 -1.7721 -1.4958 -1.4958 -1.4123 -1.4123 -1.3661 -1.3661 1.8031 1.8031 1.8329 1.8329 3.2939 3.2939 3.3835 3.3835 3.5352 3.5352 3.6530 3.6530 7.5268 7.5268 7.9177 7.9177 8.6340 8.6340 8.6700 8.6700 k = 0.0000 0.0135 0.3506 ( 3848 PWs) bands (ev): -7.7415 -7.7415 -7.6967 -7.6967 -3.6435 -3.6418 -3.5655 -3.5587 -3.0332 -3.0249 -2.9312 -2.9289 -2.8318 -2.8297 -1.7899 -1.7889 -1.7728 -1.7711 -1.4968 -1.4944 -1.4127 -1.4117 -1.3665 -1.3657 1.7978 1.8020 1.8285 1.8320 3.2922 3.2956 3.3772 3.3898 3.5301 3.5394 3.6521 3.6530 7.5234 7.5318 7.9187 7.9198 8.6351 8.6425 8.6716 8.6760 k = 0.0000 0.0270 0.3506 ( 3842 PWs) bands (ev): -7.7407 -7.7406 -7.6959 -7.6959 -3.6440 -3.6406 -3.5684 -3.5547 -3.0366 -3.0201 -2.9319 -2.9273 -2.8327 -2.8286 -1.7902 -1.7883 -1.7733 -1.7699 -1.4976 -1.4929 -1.4130 -1.4110 -1.3669 -1.3653 1.7863 1.7944 1.8187 1.8257 3.2904 3.2974 3.3710 3.3960 3.5241 3.5425 3.6503 3.6519 7.5217 7.5382 7.9226 7.9248 8.6453 8.6589 8.6827 8.6905 k = 0.0000 0.0405 0.3506 ( 3836 PWs) bands (ev): -7.7394 -7.7392 -7.6946 -7.6945 -3.6444 -3.6391 -3.5710 -3.5504 -3.0395 -3.0149 -2.9322 -2.9254 -2.8337 -2.8275 -1.7905 -1.7876 -1.7736 -1.7685 -1.4982 -1.4911 -1.4131 -1.4102 -1.3673 -1.3650 1.7686 1.7802 1.8035 1.8142 3.2887 3.2993 3.3651 3.4021 3.5172 3.5446 3.6482 3.6502 7.5209 7.5450 7.9289 7.9325 8.6627 8.6774 8.7094 8.7157 k = 0.0000 0.0541 0.3506 ( 3840 PWs) bands (ev): -7.7374 -7.7372 -7.6927 -7.6927 -3.6446 -3.6373 -3.5733 -3.5457 -3.0420 -3.0095 -2.9322 -2.9233 -2.8347 -2.8265 -1.7907 -1.7867 -1.7738 -1.7669 -1.4986 -1.4891 -1.4132 -1.4093 -1.3677 -1.3647 1.7449 1.7595 1.7830 1.7975 3.2869 3.3013 3.3596 3.4083 3.5094 3.5456 3.6461 3.6481 7.5201 7.5512 7.9369 7.9424 8.6862 8.6982 8.7520 8.7534 k = 0.0000 0.0676 0.3506 ( 3844 PWs) bands (ev): -7.7350 -7.7347 -7.6904 -7.6903 -3.6447 -3.6352 -3.5754 -3.5408 -3.0440 -3.0039 -2.9319 -2.9210 -2.8356 -2.8255 -1.7908 -1.7857 -1.7738 -1.7650 -1.4987 -1.4869 -1.4131 -1.4082 -1.3682 -1.3644 1.7152 1.7324 1.7572 1.7755 3.2853 3.3035 3.3547 3.4147 3.5010 3.5456 3.6448 3.6463 7.5182 7.5553 7.9457 7.9534 8.7161 8.7251 8.8041 8.8076 k = 0.0000 0.0811 0.3506 ( 3844 PWs) bands (ev): -7.7320 -7.7317 -7.6876 -7.6874 -3.6447 -3.6327 -3.5772 -3.5354 -3.0455 -2.9982 -2.9311 -2.9183 -2.8363 -2.8245 -1.7908 -1.7846 -1.7736 -1.7629 -1.4986 -1.4845 -1.4128 -1.4070 -1.3686 -1.3641 1.6797 1.6990 1.7263 1.7482 3.2840 3.3060 3.3504 3.4214 3.4919 3.5448 3.6446 3.6451 7.5141 7.5561 7.9541 7.9642 8.7540 8.7601 8.8670 8.8746 k = 0.0000 0.0946 0.3506 ( 3844 PWs) bands (ev): -7.7285 -7.7281 -7.6842 -7.6841 -3.6446 -3.6298 -3.5789 -3.5297 -3.0465 -2.9925 -2.9297 -2.9153 -2.8369 -2.8234 -1.7908 -1.7832 -1.7734 -1.7605 -1.4983 -1.4818 -1.4124 -1.4057 -1.3690 -1.3638 1.6388 1.6597 1.6903 1.7157 3.2832 3.3090 3.3468 3.4285 3.4825 3.5436 3.6449 3.6458 7.5069 7.5528 7.9605 7.9733 8.8012 8.8046 8.9413 8.9520 k = 0.0000 0.1081 0.3506 ( 3840 PWs) bands (ev): -7.7246 -7.7241 -7.6805 -7.6803 -3.6444 -3.6265 -3.5803 -3.5237 -3.0471 -2.9869 -2.9277 -2.9120 -2.8373 -2.8223 -1.7907 -1.7816 -1.7730 -1.7580 -1.4977 -1.4790 -1.4119 -1.4042 -1.3694 -1.3635 1.5927 1.6149 1.6494 1.6779 3.2831 3.3125 3.3439 3.4362 3.4731 3.5425 3.6459 3.6485 7.4959 7.5447 7.9637 7.9791 8.8590 8.8595 9.0257 9.0388 k = 0.0000 0.1216 0.3506 ( 3840 PWs) bands (ev): -7.7202 -7.7197 -7.6763 -7.6761 -3.6440 -3.6229 -3.5815 -3.5175 -3.0471 -2.9818 -2.9250 -2.9085 -2.8374 -2.8212 -1.7906 -1.7798 -1.7725 -1.7552 -1.4969 -1.4760 -1.4112 -1.4026 -1.3697 -1.3633 1.5418 1.5649 1.6038 1.6350 3.2841 3.3167 3.3418 3.4446 3.4642 3.5421 3.6483 3.6527 7.4806 7.5316 7.9625 7.9803 8.9252 8.9278 9.1191 9.1339 k = 0.0000 0.1351 0.3506 ( 3836 PWs) bands (ev): -7.7154 -7.7148 -7.6717 -7.6715 -3.6436 -3.6187 -3.5826 -3.5110 -3.0468 -2.9772 -2.9216 -2.9046 -2.8371 -2.8200 -1.7903 -1.7778 -1.7719 -1.7522 -1.4959 -1.4729 -1.4103 -1.4009 -1.3700 -1.3630 1.4866 1.5102 1.5537 1.5872 3.2865 3.3219 3.3405 3.4524 3.4575 3.5429 3.6520 3.6581 7.4608 7.5133 7.9560 7.9759 9.0013 9.0073 9.2201 9.2361 k = 0.0000 0.1486 0.3506 ( 3840 PWs) bands (ev): -7.7102 -7.7095 -7.6667 -7.6665 -3.6432 -3.6141 -3.5835 -3.5043 -3.0461 -2.9733 -2.9174 -2.9004 -2.8365 -2.8189 -1.7900 -1.7756 -1.7713 -1.7490 -1.4946 -1.4697 -1.4092 -1.3990 -1.3703 -1.3627 1.4276 1.4514 1.4994 1.5348 3.2903 3.3281 3.3402 3.4482 3.4648 3.5452 3.6570 3.6646 7.4365 7.4900 7.9438 7.9655 9.0871 9.0967 9.3273 9.3440 k = 0.0000 0.1622 0.3506 ( 3840 PWs) bands (ev): -7.7047 -7.7039 -7.6614 -7.6611 -3.6426 -3.6092 -3.5843 -3.4975 -3.0449 -2.9700 -2.9126 -2.8958 -2.8352 -2.8176 -1.7896 -1.7731 -1.7706 -1.7456 -1.4931 -1.4663 -1.4080 -1.3970 -1.3705 -1.3624 1.3652 1.3891 1.4413 1.4782 3.2957 3.3354 3.3410 3.4427 3.4756 3.5491 3.6633 3.6721 7.4078 7.4619 7.9259 7.9491 9.1813 9.1946 9.4392 9.4562 k = 0.0000 0.1757 0.3506 ( 3840 PWs) bands (ev): -7.6988 -7.6980 -7.6558 -7.6555 -3.6419 -3.6039 -3.5849 -3.4905 -3.0435 -2.9674 -2.9074 -2.8909 -2.8332 -2.8163 -1.7891 -1.7705 -1.7698 -1.7421 -1.4914 -1.4629 -1.4065 -1.3948 -1.3705 -1.3620 1.3000 1.3237 1.3799 1.4178 3.3029 3.3430 3.3439 3.4389 3.4874 3.5546 3.6706 3.6804 7.3749 7.4293 7.9025 7.9268 9.2824 9.2995 9.5541 9.5708 k = 0.0000 0.1892 0.3506 ( 3834 PWs) bands (ev): -7.6927 -7.6918 -7.6500 -7.6496 -3.6411 -3.5984 -3.5851 -3.4834 -3.0417 -2.9653 -2.9020 -2.8856 -2.8302 -2.8148 -1.7885 -1.7693 -1.7672 -1.7383 -1.4895 -1.4595 -1.4047 -1.3925 -1.3704 -1.3616 1.2326 1.2559 1.3156 1.3542 3.3118 3.3463 3.3536 3.4368 3.5000 3.5617 3.6789 3.6895 7.3380 7.3923 7.8740 7.8990 9.3884 9.4093 9.6700 9.6861 k = 0.0000 0.2027 0.3506 ( 3822 PWs) bands (ev): -7.6863 -7.6853 -7.6439 -7.6434 -3.6403 -3.5935 -3.5840 -3.4763 -3.0396 -2.9637 -2.8968 -2.8799 -2.8262 -2.8133 -1.7879 -1.7685 -1.7639 -1.7344 -1.4874 -1.4562 -1.4027 -1.3900 -1.3702 -1.3612 1.1634 1.1863 1.2489 1.2877 3.3224 3.3510 3.3645 3.4368 3.5133 3.5703 3.6880 3.6992 7.2975 7.3515 7.8407 7.8662 9.4974 9.5219 9.7851 9.8002 k = 0.0000 0.2162 0.3506 ( 3826 PWs) bands (ev): -7.6798 -7.6787 -7.6377 -7.6371 -3.6394 -3.5910 -3.5803 -3.4693 -3.0373 -2.9625 -2.8920 -2.8740 -2.8212 -2.8117 -1.7871 -1.7677 -1.7603 -1.7304 -1.4851 -1.4529 -1.4004 -1.3873 -1.3698 -1.3607 1.0931 1.1153 1.1804 1.2191 3.3347 3.3570 3.3763 3.4389 3.5273 3.5801 3.6979 3.7095 7.2537 7.3071 7.8032 7.8291 9.6072 9.6350 9.8972 9.9108 k = 0.0000 0.2297 0.3506 ( 3816 PWs) bands (ev): -7.6731 -7.6720 -7.6313 -7.6307 -3.6383 -3.5905 -3.5741 -3.4624 -3.0347 -2.9616 -2.8876 -2.8678 -2.8150 -2.8099 -1.7863 -1.7669 -1.7565 -1.7262 -1.4826 -1.4498 -1.3978 -1.3844 -1.3692 -1.3601 1.0220 1.0435 1.1105 1.1488 3.3485 3.3645 3.3889 3.4431 3.5419 3.5911 3.7085 3.7202 7.2070 7.2596 7.7621 7.7881 9.7157 9.7461 10.0044 10.0160 k = 0.0000 0.2432 0.3506 ( 3820 PWs) bands (ev): -7.6663 -7.6651 -7.6248 -7.6241 -3.6373 -3.5907 -3.5668 -3.4556 -3.0320 -2.9610 -2.8839 -2.8613 -2.8080 -2.8079 -1.7853 -1.7662 -1.7524 -1.7220 -1.4799 -1.4468 -1.3950 -1.3814 -1.3683 -1.3595 0.9507 0.9715 1.0398 1.0774 3.3636 3.3732 3.4019 3.4496 3.5570 3.6030 3.7196 3.7314 7.1579 7.2094 7.7180 7.7438 9.8206 9.8525 10.1049 10.1139 k = 0.0000 0.2568 0.3506 ( 3820 PWs) bands (ev): -7.6595 -7.6583 -7.6183 -7.6176 -3.6361 -3.5912 -3.5589 -3.4491 -3.0292 -2.9607 -2.8805 -2.8547 -2.8059 -2.7998 -1.7843 -1.7654 -1.7480 -1.7177 -1.4771 -1.4441 -1.3920 -1.3781 -1.3670 -1.3588 0.8797 0.8997 0.9689 1.0056 3.3795 3.3837 3.4149 3.4585 3.5725 3.6158 3.7312 3.7428 7.1067 7.1570 7.6714 7.6970 9.9197 9.9517 10.1976 10.2032 k = 0.0000 0.2703 0.3506 ( 3814 PWs) bands (ev): -7.6527 -7.6514 -7.6117 -7.6110 -3.6349 -3.5917 -3.5506 -3.4427 -3.0262 -2.9605 -2.8775 -2.8479 -2.8033 -2.7911 -1.7832 -1.7647 -1.7433 -1.7134 -1.4742 -1.4417 -1.3887 -1.3747 -1.3653 -1.3579 0.8095 0.8286 0.8982 0.9337 3.3928 3.3987 3.4274 3.4698 3.5884 3.6293 3.7432 3.7545 7.0540 7.1029 7.6230 7.6481 10.0113 10.0416 10.2823 10.2834 k = 0.0000 0.2838 0.3506 ( 3814 PWs) bands (ev): -7.6460 -7.6446 -7.6052 -7.6044 -3.6336 -3.5924 -3.5420 -3.4367 -3.0232 -2.9605 -2.8747 -2.8414 -2.8004 -2.7821 -1.7821 -1.7639 -1.7385 -1.7090 -1.4712 -1.4395 -1.3855 -1.3711 -1.3630 -1.3569 0.7404 0.7587 0.8283 0.8624 3.4047 3.4168 3.4395 3.4832 3.6046 3.6433 3.7555 3.7664 7.0003 7.0475 7.5734 7.5979 10.0942 10.1211 10.3546 10.3589 k = 0.0000 0.2973 0.3506 ( 3820 PWs) bands (ev): -7.6394 -7.6380 -7.5988 -7.5980 -3.6323 -3.5931 -3.5331 -3.4312 -3.0201 -2.9607 -2.8721 -2.8352 -2.7969 -2.7728 -1.7809 -1.7633 -1.7334 -1.7046 -1.4680 -1.4375 -1.3823 -1.3674 -1.3601 -1.3558 0.6729 0.6903 0.7596 0.7921 3.4170 3.4358 3.4510 3.4982 3.6210 3.6577 3.7680 3.7784 6.9461 6.9915 7.5232 7.5470 10.1679 10.1901 10.4177 10.4280 k = 0.0000 0.3108 0.3506 ( 3826 PWs) bands (ev): -7.6329 -7.6314 -7.5926 -7.5917 -3.6310 -3.5939 -3.5241 -3.4260 -3.0170 -2.9611 -2.8695 -2.8297 -2.7925 -2.7635 -1.7796 -1.7626 -1.7282 -1.7003 -1.4649 -1.4359 -1.3793 -1.3637 -1.3566 -1.3542 0.6074 0.6238 0.6925 0.7234 3.4298 3.4553 3.4623 3.5143 3.6375 3.6722 3.7807 3.7904 6.8919 6.9353 7.4730 7.4959 10.2330 10.2497 10.4739 10.4900 k = 0.0000 0.3243 0.3506 ( 3814 PWs) bands (ev): -7.6266 -7.6252 -7.5865 -7.5856 -3.6295 -3.5947 -3.5149 -3.4212 -3.0138 -2.9615 -2.8668 -2.8250 -2.7871 -2.7543 -1.7782 -1.7620 -1.7227 -1.6960 -1.4617 -1.4344 -1.3765 -1.3602 -1.3524 -1.3521 0.5443 0.5598 0.6277 0.6568 3.4428 3.4733 3.4749 3.5308 3.6540 3.6869 3.7936 3.8024 6.8383 6.8795 7.4234 7.4453 10.2903 10.3015 10.5243 10.5455 k = 0.0000 0.3378 0.3506 ( 3822 PWs) bands (ev): -7.6206 -7.6191 -7.5807 -7.5798 -3.6281 -3.5956 -3.5057 -3.4171 -3.0108 -2.9622 -2.8641 -2.8214 -2.7808 -2.7455 -1.7768 -1.7615 -1.7173 -1.6919 -1.4585 -1.4332 -1.3739 -1.3574 -1.3491 -1.3476 0.4840 0.4985 0.5654 0.5926 3.4558 3.4841 3.4944 3.5472 3.6705 3.7015 3.8064 3.8144 6.7858 6.8247 7.3749 7.3957 10.3409 10.3471 10.5698 10.5952 k = 0.0000 0.3514 0.3506 ( 3822 PWs) bands (ev): -7.6148 -7.6134 -7.5751 -7.5742 -3.6266 -3.5965 -3.4966 -3.4134 -3.0077 -2.9630 -2.8612 -2.8186 -2.7737 -2.7371 -1.7754 -1.7610 -1.7118 -1.6879 -1.4554 -1.4322 -1.3713 -1.3553 -1.3451 -1.3425 0.4268 0.4403 0.5061 0.5313 3.4688 3.4946 3.5135 3.5631 3.6867 3.7157 3.8191 3.8262 6.7350 6.7714 7.3282 7.3477 10.3860 10.3880 10.6112 10.6397 k = 0.0000 0.3649 0.3506 ( 3830 PWs) bands (ev): -7.6094 -7.6081 -7.5698 -7.5689 -3.6251 -3.5975 -3.4876 -3.4104 -3.0048 -2.9639 -2.8582 -2.8168 -2.7660 -2.7294 -1.7740 -1.7606 -1.7063 -1.6842 -1.4524 -1.4313 -1.3689 -1.3537 -1.3405 -1.3372 0.3731 0.3855 0.4503 0.4734 3.4814 3.5047 3.5321 3.5782 3.7026 3.7295 3.8317 3.8377 6.6863 6.7202 7.2837 7.3019 10.4251 10.4265 10.6490 10.6793 k = 0.0000 0.3784 0.3506 ( 3822 PWs) bands (ev): -7.6044 -7.6031 -7.5649 -7.5641 -3.6235 -3.5985 -3.4786 -3.4079 -3.0018 -2.9649 -2.8551 -2.8155 -2.7579 -2.7221 -1.7725 -1.7603 -1.7009 -1.6807 -1.4495 -1.4307 -1.3664 -1.3522 -1.3355 -1.3317 0.3233 0.3346 0.3984 0.4193 3.4935 3.5144 3.5498 3.5922 3.7179 3.7426 3.8440 3.8490 6.6405 6.6715 7.2419 7.2586 10.4590 10.4630 10.6832 10.7141 k = 0.0000 0.3919 0.3506 ( 3818 PWs) bands (ev): -7.5997 -7.5985 -7.5604 -7.5596 -3.6219 -3.5995 -3.4700 -3.4061 -2.9989 -2.9660 -2.8518 -2.8149 -2.7497 -2.7158 -1.7711 -1.7600 -1.6957 -1.6774 -1.4467 -1.4301 -1.3640 -1.3509 -1.3304 -1.3264 0.2777 0.2879 0.3507 0.3694 3.5050 3.5233 3.5664 3.6048 3.7325 3.7549 3.8557 3.8598 6.5979 6.6260 7.2033 7.2184 10.4900 10.4959 10.7130 10.7418 k = 0.0000 0.4054 0.3506 ( 3820 PWs) bands (ev): -7.5956 -7.5945 -7.5563 -7.5556 -3.6203 -3.6006 -3.4617 -3.4050 -2.9961 -2.9673 -2.8485 -2.8148 -2.7417 -2.7104 -1.7697 -1.7599 -1.6907 -1.6746 -1.4441 -1.4298 -1.3616 -1.3498 -1.3254 -1.3213 0.2366 0.2457 0.3076 0.3240 3.5156 3.5315 3.5818 3.6159 3.7461 3.7660 3.8669 3.8700 6.5592 6.5841 7.1683 7.1817 10.5182 10.5252 10.7334 10.7502 k = 0.0000 0.4189 0.3506 ( 3824 PWs) bands (ev): -7.5919 -7.5909 -7.5527 -7.5520 -3.6187 -3.6017 -3.4538 -3.4047 -2.9934 -2.9686 -2.8451 -2.8152 -2.7341 -2.7059 -1.7684 -1.7598 -1.6860 -1.6722 -1.4417 -1.4296 -1.3592 -1.3489 -1.3206 -1.3165 0.2004 0.2082 0.2695 0.2837 3.5253 3.5387 3.5958 3.6254 3.7585 3.7758 3.8772 3.8795 6.5247 6.5464 7.1373 7.1490 10.5434 10.5508 10.7302 10.7359 k = 0.0000 0.4324 0.3506 ( 3824 PWs) bands (ev): -7.5887 -7.5878 -7.5496 -7.5490 -3.6172 -3.6029 -3.4463 -3.4050 -2.9908 -2.9701 -2.8417 -2.8161 -2.7268 -2.7025 -1.7671 -1.7599 -1.6818 -1.6702 -1.4396 -1.4296 -1.3570 -1.3481 -1.3160 -1.3123 0.1693 0.1759 0.2368 0.2487 3.5338 3.5449 3.6082 3.6332 3.7696 3.7842 3.8865 3.8881 6.4950 6.5133 7.1106 7.1204 10.5653 10.5725 10.7156 10.7188 k = 0.0000 0.4459 0.3506 ( 3822 PWs) bands (ev): -7.5860 -7.5853 -7.5470 -7.5465 -3.6156 -3.6042 -3.4393 -3.4060 -2.9882 -2.9717 -2.8383 -2.8173 -2.7202 -2.7001 -1.7659 -1.7601 -1.6780 -1.6687 -1.4376 -1.4297 -1.3548 -1.3476 -1.3120 -1.3087 0.1435 0.1489 0.2098 0.2193 3.5412 3.5500 3.6190 3.6391 3.7791 3.7909 3.8945 3.8956 6.4704 6.4852 7.0885 7.0965 10.5835 10.5898 10.7021 10.7042 k = 0.0000 0.4595 0.3506 ( 3820 PWs) bands (ev): -7.5839 -7.5833 -7.5449 -7.5446 -3.6140 -3.6054 -3.4329 -3.4077 -2.9858 -2.9734 -2.8350 -2.8189 -2.7142 -2.6989 -1.7647 -1.7603 -1.6747 -1.6677 -1.4358 -1.4300 -1.3529 -1.3474 -1.3085 -1.3059 0.1234 0.1274 0.1887 0.1959 3.5472 3.5538 3.6280 3.6432 3.7870 3.7959 3.9010 3.9017 6.4513 6.4625 7.0713 7.0773 10.5976 10.6026 10.6918 10.6931 k = 0.0000 0.4730 0.3506 ( 3822 PWs) bands (ev): -7.5823 -7.5820 -7.5434 -7.5432 -3.6125 -3.6068 -3.4271 -3.4102 -2.9834 -2.9752 -2.8318 -2.8209 -2.7091 -2.6987 -1.7637 -1.7608 -1.6720 -1.6673 -1.4343 -1.4304 -1.3512 -1.3475 -1.3058 -1.3040 0.1091 0.1118 0.1739 0.1786 3.5519 3.5562 3.6352 3.6454 3.7932 3.7991 3.9058 3.9062 6.4380 6.4455 7.0591 7.0632 10.6074 10.6108 10.6851 10.6857 k = 0.0000 0.4865 0.3506 ( 3824 PWs) bands (ev): -7.5813 -7.5812 -7.5425 -7.5424 -3.6110 -3.6082 -3.4219 -3.4134 -2.9812 -2.9771 -2.8287 -2.8233 -2.7050 -2.6998 -1.7628 -1.7613 -1.6699 -1.6676 -1.4330 -1.4311 -1.3498 -1.3479 -1.3039 -1.3030 0.1008 0.1021 0.1653 0.1677 3.5551 3.5573 3.6406 3.6457 3.7975 3.8005 3.9088 3.9089 6.4307 6.4345 7.0522 7.0542 10.6132 10.6148 10.6816 10.6818 k = 0.0000 0.5000 0.3506 ( 3824 PWs) bands (ev): -7.5810 -7.5810 -7.5421 -7.5421 -3.6096 -3.6096 -3.4173 -3.4173 -2.9791 -2.9791 -2.8259 -2.8259 -2.7018 -2.7018 -1.7620 -1.7620 -1.6684 -1.6684 -1.4320 -1.4320 -1.3487 -1.3487 -1.3030 -1.3030 0.0984 0.0984 0.1633 0.1633 3.5569 3.5569 3.6441 3.6441 3.7999 3.7999 3.9098 3.9098 6.4295 6.4295 7.0506 7.0506 10.6155 10.6155 10.6806 10.6806 k = 0.0000 0.5000 0.3506 ( 3824 PWs) bands (ev): -7.5810 -7.5810 -7.5421 -7.5421 -3.6096 -3.6096 -3.4173 -3.4173 -2.9791 -2.9791 -2.8259 -2.8259 -2.7018 -2.7018 -1.7620 -1.7620 -1.6684 -1.6684 -1.4320 -1.4320 -1.3487 -1.3487 -1.3030 -1.3030 0.0984 0.0984 0.1633 0.1633 3.5569 3.5569 3.6441 3.6441 3.7999 3.7999 3.9098 3.9098 6.4295 6.4295 7.0506 7.0506 10.6155 10.6155 10.6806 10.6806 k = 0.0135 0.5000 0.3506 ( 3824 PWs) bands (ev): -7.5807 -7.5807 -7.5420 -7.5418 -3.6133 -3.6054 -3.4206 -3.4141 -2.9813 -2.9764 -2.8288 -2.8230 -2.7021 -2.7016 -1.7636 -1.7602 -1.6700 -1.6669 -1.4329 -1.4308 -1.3502 -1.3472 -1.3031 -1.3029 0.0985 0.0999 0.1634 0.1649 3.5517 3.5552 3.6371 3.6437 3.7953 3.7963 3.9028 3.9068 6.4349 6.4395 7.0574 7.0586 10.6140 10.6201 10.6738 10.6795 k = 0.0270 0.5000 0.3506 ( 3824 PWs) bands (ev): -7.5799 -7.5798 -7.5413 -7.5411 -3.6166 -3.6008 -3.4239 -3.4110 -2.9829 -2.9732 -2.8318 -2.8202 -2.7022 -2.7012 -1.7649 -1.7583 -1.6716 -1.6654 -1.4337 -1.4294 -1.3519 -1.3458 -1.3031 -1.3027 0.1002 0.1029 0.1653 0.1683 3.5387 3.5466 3.6233 3.6353 3.7827 3.7850 3.8861 3.8941 6.4553 6.4645 7.0788 7.0811 10.6117 10.6252 10.6620 10.6747 k = 0.0405 0.5000 0.3506 ( 3816 PWs) bands (ev): -7.5785 -7.5784 -7.5403 -7.5400 -3.6193 -3.5957 -3.4273 -3.4079 -2.9840 -2.9694 -2.8349 -2.8174 -2.7023 -2.7008 -1.7660 -1.7561 -1.6732 -1.6640 -1.4341 -1.4278 -1.3536 -1.3445 -1.3030 -1.3025 0.1035 0.1075 0.1689 0.1734 3.5162 3.5306 3.6031 3.6185 3.7631 3.7668 3.8615 3.8734 6.4902 6.5035 7.1141 7.1176 10.5992 10.6129 10.6635 10.6757 k = 0.0541 0.5000 0.3506 ( 3816 PWs) bands (ev): -7.5766 -7.5765 -7.5388 -7.5384 -3.6217 -3.5903 -3.4308 -3.4051 -2.9845 -2.9652 -2.8380 -2.8147 -2.7023 -2.7003 -1.7670 -1.7538 -1.6748 -1.6626 -1.4344 -1.4260 -1.3553 -1.3433 -1.3029 -1.3022 0.1082 0.1136 0.1742 0.1802 3.4829 3.5060 3.5770 3.5928 3.7378 3.7432 3.8314 3.8468 6.5382 6.5552 7.1621 7.1668 10.5713 10.5795 10.6816 10.6870 k = 0.0676 0.5000 0.3506 ( 3812 PWs) bands (ev): -7.5741 -7.5740 -7.5369 -7.5364 -3.6235 -3.5845 -3.4343 -3.4023 -2.9845 -2.9604 -2.8411 -2.8121 -2.7023 -2.6998 -1.7676 -1.7513 -1.6765 -1.6613 -1.4344 -1.4240 -1.3572 -1.3422 -1.3028 -1.3019 0.1145 0.1213 0.1812 0.1888 3.4382 3.4713 3.5443 3.5582 3.7078 3.7155 3.7992 3.8169 6.5979 6.6181 7.2216 7.2275 10.5317 10.5361 10.6988 10.7009 k = 0.0811 0.5000 0.3506 ( 3816 PWs) bands (ev): -7.5711 -7.5710 -7.5346 -7.5340 -3.6248 -3.5784 -3.4379 -3.3997 -2.9841 -2.9553 -2.8443 -2.8096 -2.7022 -2.6992 -1.7681 -1.7486 -1.6782 -1.6600 -1.4342 -1.4219 -1.3590 -1.3412 -1.3026 -1.3015 0.1222 0.1304 0.1899 0.1990 3.3830 3.4256 3.5034 3.5142 3.6747 3.6856 3.7676 3.7858 6.6675 6.6904 7.2911 7.2980 10.4845 10.4863 10.6857 10.6935 k = 0.0946 0.5000 0.3506 ( 3816 PWs) bands (ev): -7.5677 -7.5675 -7.5320 -7.5312 -3.6257 -3.5719 -3.4415 -3.3972 -2.9831 -2.9497 -2.8474 -2.8071 -2.7021 -2.6985 -1.7684 -1.7458 -1.6799 -1.6588 -1.4338 -1.4196 -1.3609 -1.3402 -1.3023 -1.3011 0.1312 0.1408 0.2001 0.2108 3.3189 3.3697 3.4527 3.4603 3.6405 3.6550 3.7373 3.7544 6.7455 6.7705 7.3690 7.3770 10.4322 10.4323 10.6396 10.6444 k = 0.1081 0.5000 0.3506 ( 3808 PWs) bands (ev): -7.5637 -7.5636 -7.5289 -7.5281 -3.6260 -3.5650 -3.4450 -3.3947 -2.9817 -2.9437 -2.8504 -2.8046 -2.7019 -2.6978 -1.7684 -1.7429 -1.6816 -1.6576 -1.4332 -1.4171 -1.3627 -1.3393 -1.3020 -1.3006 0.1416 0.1526 0.2119 0.2242 3.2480 3.3053 3.3924 3.3967 3.6070 3.6248 3.7079 3.7229 6.8301 6.8568 7.4538 7.4629 10.3756 10.3771 10.5793 10.5800 k = 0.1216 0.5000 0.3506 ( 3804 PWs) bands (ev): -7.5594 -7.5592 -7.5255 -7.5246 -3.6259 -3.5579 -3.4485 -3.3924 -2.9798 -2.9374 -2.8534 -2.8021 -2.7017 -2.6970 -1.7682 -1.7398 -1.6833 -1.6565 -1.4323 -1.4146 -1.3645 -1.3384 -1.3017 -1.3001 0.1532 0.1657 0.2252 0.2390 3.1720 3.2345 3.3237 3.3247 3.5743 3.5951 3.6784 3.6909 6.9199 6.9478 7.5442 7.5543 10.3179 10.3202 10.5117 10.5143 k = 0.1351 0.5000 0.3506 ( 3804 PWs) bands (ev): -7.5545 -7.5543 -7.5218 -7.5208 -3.6254 -3.5506 -3.4521 -3.3902 -2.9776 -2.9310 -2.8561 -2.7996 -2.7014 -2.6961 -1.7678 -1.7366 -1.6850 -1.6554 -1.4313 -1.4120 -1.3663 -1.3375 -1.3014 -1.2995 0.1659 0.1799 0.2399 0.2553 3.0924 3.1593 3.2463 3.2487 3.5420 3.5654 3.6479 3.6578 7.0136 7.0423 7.6389 7.6499 10.2602 10.2632 10.4429 10.4483 k = 0.1486 0.5000 0.3506 ( 3820 PWs) bands (ev): -7.5494 -7.5491 -7.5177 -7.5167 -3.6245 -3.5431 -3.4557 -3.3882 -2.9751 -2.9245 -2.8587 -2.7972 -2.7012 -2.6953 -1.7672 -1.7333 -1.6867 -1.6545 -1.4301 -1.4094 -1.3680 -1.3368 -1.3010 -1.2989 0.1796 0.1951 0.2559 0.2729 3.0107 3.0813 3.1635 3.1692 3.5093 3.5350 3.6160 3.6233 7.1099 7.1390 7.7368 7.7486 10.2037 10.2069 10.3754 10.3831 k = 0.1622 0.5000 0.3506 ( 3812 PWs) bands (ev): -7.5438 -7.5436 -7.5135 -7.5123 -3.6230 -3.5353 -3.4591 -3.3862 -2.9721 -2.9180 -2.8606 -2.7946 -2.7009 -2.6944 -1.7663 -1.7298 -1.6883 -1.6535 -1.4287 -1.4067 -1.3694 -1.3359 -1.3007 -1.2983 0.1942 0.2111 0.2731 0.2917 2.9279 3.0018 3.0780 3.0869 3.4757 3.5035 3.5822 3.5871 7.2079 7.2369 7.8369 7.8494 10.1492 10.1524 10.3102 10.3200 k = 0.1757 0.5000 0.3506 ( 3820 PWs) bands (ev): -7.5379 -7.5377 -7.5089 -7.5077 -3.6211 -3.5274 -3.4625 -3.3844 -2.9688 -2.9119 -2.8620 -2.7920 -2.7007 -2.6935 -1.7652 -1.7263 -1.6900 -1.6525 -1.4272 -1.4042 -1.3706 -1.3351 -1.3003 -1.2976 0.2096 0.2280 0.2913 0.3116 2.8451 2.9219 2.9913 3.0033 3.4407 3.4705 3.5463 3.5489 7.3065 7.3352 7.9384 7.9513 10.0974 10.1004 10.2480 10.2600 k = 0.1892 0.5000 0.3506 ( 3820 PWs) bands (ev): -7.5318 -7.5315 -7.5042 -7.5029 -3.6188 -3.5194 -3.4658 -3.3826 -2.9653 -2.9066 -2.8621 -2.7893 -2.7005 -2.6925 -1.7640 -1.7227 -1.6916 -1.6516 -1.4255 -1.4019 -1.3715 -1.3342 -1.2999 -1.2969 0.2255 0.2454 0.3105 0.3324 2.7631 2.8423 2.9048 2.9195 3.4041 3.4358 3.5083 3.5089 7.4050 7.4330 8.0405 8.0536 10.0489 10.0515 10.1895 10.2035 k = 0.2027 0.5000 0.3506 ( 3820 PWs) bands (ev): -7.5254 -7.5251 -7.4993 -7.4979 -3.6162 -3.5114 -3.4690 -3.3809 -2.9616 -2.9025 -2.8607 -2.7864 -2.7002 -2.6915 -1.7625 -1.7189 -1.6932 -1.6508 -1.4237 -1.3998 -1.3719 -1.3332 -1.2995 -1.2962 0.2419 0.2632 0.3304 0.3539 2.6828 2.7636 2.8196 2.8366 3.3659 3.3993 3.4667 3.4681 7.5028 7.5298 8.1425 8.1556 10.0043 10.0061 10.1351 10.1513 k = 0.2162 0.5000 0.3506 ( 3816 PWs) bands (ev): -7.5188 -7.5185 -7.4942 -7.4929 -3.6132 -3.5034 -3.4720 -3.3793 -2.9576 -2.8999 -2.8574 -2.7833 -2.7000 -2.6905 -1.7609 -1.7152 -1.6947 -1.6499 -1.4218 -1.3982 -1.3717 -1.3321 -1.2991 -1.2954 0.2584 0.2812 0.3508 0.3760 2.6049 2.6864 2.7370 2.7555 3.3258 3.3608 3.4226 3.4257 7.5991 7.6249 8.2441 8.2567 9.9639 9.9647 10.0852 10.1036 k = 0.2297 0.5000 0.3506 ( 3812 PWs) bands (ev): -7.5121 -7.5118 -7.4891 -7.4877 -3.6099 -3.4957 -3.4745 -3.3777 -2.9536 -2.8989 -2.8523 -2.7801 -2.6998 -2.6895 -1.7591 -1.7114 -1.6962 -1.6491 -1.4199 -1.3970 -1.3709 -1.3309 -1.2988 -1.2946 0.2750 0.2992 0.3716 0.3985 2.5300 2.6106 2.6583 2.6769 3.2840 3.3204 3.3766 3.3812 7.6936 7.7178 8.3448 8.3566 9.9276 9.9281 10.0398 10.0607 k = 0.2432 0.5000 0.3506 ( 3812 PWs) bands (ev): -7.5052 -7.5050 -7.4839 -7.4824 -3.6063 -3.4892 -3.4758 -3.3762 -2.9495 -2.8991 -2.8458 -2.7767 -2.6997 -2.6885 -1.7572 -1.7076 -1.6976 -1.6483 -1.4179 -1.3965 -1.3693 -1.3296 -1.2984 -1.2937 0.2914 0.3170 0.3925 0.4210 2.4587 2.5366 2.5847 2.6017 3.2403 3.2781 3.3289 3.3347 7.7858 7.8081 8.4441 8.4546 9.8948 9.8969 9.9993 10.0230 k = 0.2568 0.5000 0.3506 ( 3804 PWs) bands (ev): -7.4984 -7.4981 -7.4786 -7.4772 -3.6024 -3.4866 -3.4731 -3.3747 -2.9454 -2.8999 -2.8384 -2.7729 -2.6995 -2.6874 -1.7552 -1.7039 -1.6988 -1.6475 -1.4160 -1.3963 -1.3672 -1.3281 -1.2981 -1.2928 0.3074 0.3342 0.4133 0.4434 2.3916 2.4648 2.5169 2.5304 3.1950 3.2338 3.2795 3.2863 7.8753 7.8955 8.5417 8.5506 9.8665 9.8705 9.9638 9.9905 k = 0.2703 0.5000 0.3506 ( 3804 PWs) bands (ev): -7.4915 -7.4912 -7.4734 -7.4720 -3.5984 -3.4878 -3.4668 -3.3733 -2.9414 -2.9011 -2.8305 -2.7690 -2.6995 -2.6864 -1.7531 -1.7019 -1.6983 -1.6467 -1.4140 -1.3965 -1.3645 -1.3264 -1.2978 -1.2919 0.3228 0.3507 0.4336 0.4653 2.3293 2.3960 2.4553 2.4638 3.1481 3.1876 3.2287 3.2361 7.9618 7.9797 8.6374 8.6440 9.8425 9.8488 9.9331 9.9633 k = 0.2838 0.5000 0.3506 ( 3804 PWs) bands (ev): -7.4846 -7.4844 -7.4682 -7.4668 -3.5943 -3.4901 -3.4594 -3.3720 -2.9376 -2.9025 -2.8223 -2.7648 -2.6995 -2.6855 -1.7509 -1.7025 -1.6951 -1.6460 -1.4122 -1.3970 -1.3615 -1.3246 -1.2976 -1.2910 0.3373 0.3662 0.4531 0.4863 2.2722 2.3313 2.3999 2.4024 3.0997 3.1394 3.1768 3.1843 8.0450 8.0604 8.7309 8.7345 9.8228 9.8316 9.9074 9.9415 k = 0.2973 0.5000 0.3506 ( 3796 PWs) bands (ev): -7.4779 -7.4777 -7.4631 -7.4617 -3.5900 -3.4926 -3.4517 -3.3707 -2.9338 -2.9040 -2.8139 -2.7603 -2.6996 -2.6845 -1.7487 -1.7037 -1.6914 -1.6453 -1.4104 -1.3975 -1.3582 -1.3226 -1.2974 -1.2900 0.3507 0.3805 0.4717 0.5062 2.2208 2.2716 2.3468 2.3509 3.0499 3.0892 3.1241 3.1311 8.1247 8.1374 8.8218 8.8219 9.8071 9.8186 9.8864 9.9248 k = 0.3108 0.5000 0.3506 ( 3800 PWs) bands (ev): -7.4713 -7.4711 -7.4581 -7.4567 -3.5857 -3.4953 -3.4441 -3.3695 -2.9303 -2.9055 -2.8055 -2.7557 -2.6999 -2.6836 -1.7465 -1.7049 -1.6876 -1.6447 -1.4087 -1.3981 -1.3547 -1.3204 -1.2972 -1.2890 0.3630 0.3933 0.4890 0.5245 2.1755 2.2177 2.2975 2.3084 2.9990 3.0372 3.0709 3.0767 8.2008 8.2106 8.9059 8.9100 9.7948 9.8094 9.8700 9.9131 k = 0.3243 0.5000 0.3506 ( 3804 PWs) bands (ev): -7.4649 -7.4647 -7.4533 -7.4520 -3.5814 -3.4980 -3.4367 -3.3684 -2.9272 -2.9068 -2.7973 -2.7508 -2.7002 -2.6828 -1.7442 -1.7062 -1.6838 -1.6440 -1.4072 -1.3988 -1.3511 -1.3180 -1.2972 -1.2881 0.3738 0.4043 0.5047 0.5410 2.1368 2.1704 2.2548 2.2724 2.9471 2.9834 3.0175 3.0212 8.2729 8.2799 8.9861 8.9951 9.7856 9.8032 9.8577 9.9061 k = 0.3378 0.5000 0.3506 ( 3808 PWs) bands (ev): -7.4587 -7.4586 -7.4487 -7.4474 -3.5771 -3.5008 -3.4295 -3.3674 -2.9243 -2.9080 -2.7892 -2.7457 -2.7006 -2.6820 -1.7420 -1.7074 -1.6801 -1.6435 -1.4059 -1.3993 -1.3475 -1.3155 -1.2971 -1.2872 0.3832 0.4136 0.5186 0.5554 2.1049 2.1301 2.2192 2.2431 2.8944 2.9282 2.9641 2.9650 8.3411 8.3452 9.0624 9.0769 9.7785 9.7994 9.8492 9.9030 k = 0.3514 0.5000 0.3506 ( 3800 PWs) bands (ev): -7.4529 -7.4527 -7.4443 -7.4431 -3.5728 -3.5034 -3.4225 -3.3664 -2.9217 -2.9090 -2.7813 -2.7403 -2.7010 -2.6813 -1.7398 -1.7086 -1.6764 -1.6430 -1.4047 -1.3998 -1.3438 -1.3129 -1.2972 -1.2863 0.3911 0.4210 0.5306 0.5674 2.0799 2.0974 2.1909 2.2206 2.8411 2.8718 2.9082 2.9106 8.4052 8.4065 9.1345 9.1550 9.7730 9.7968 9.8437 9.9032 k = 0.3649 0.5000 0.3506 ( 3804 PWs) bands (ev): -7.4474 -7.4472 -7.4402 -7.4390 -3.5685 -3.5060 -3.4159 -3.3657 -2.9194 -2.9099 -2.7737 -2.7350 -2.7017 -2.6808 -1.7377 -1.7097 -1.6729 -1.6426 -1.4036 -1.4003 -1.3401 -1.3102 -1.2974 -1.2854 0.3975 0.4264 0.5406 0.5768 2.0620 2.0725 2.1700 2.2049 2.7876 2.8148 2.8512 2.8573 8.4637 8.4650 9.2023 9.2292 9.7681 9.7946 9.8406 9.9054 k = 0.3784 0.5000 0.3506 ( 3804 PWs) bands (ev): -7.4422 -7.4421 -7.4363 -7.4352 -3.5644 -3.5086 -3.4096 -3.3650 -2.9174 -2.9106 -2.7665 -2.7296 -2.7025 -2.6804 -1.7356 -1.7108 -1.6695 -1.6423 -1.4028 -1.4006 -1.3365 -1.3074 -1.2976 -1.2846 0.4025 0.4300 0.5488 0.5837 2.0511 2.0554 2.1566 2.1959 2.7340 2.7577 2.7942 2.8042 8.5169 8.5204 9.2660 9.2994 9.7631 9.7917 9.8386 9.9085 k = 0.3919 0.5000 0.3506 ( 3812 PWs) bands (ev): -7.4375 -7.4375 -7.4328 -7.4317 -3.5605 -3.5113 -3.4037 -3.3646 -2.9159 -2.9112 -2.7596 -2.7243 -2.7035 -2.6803 -1.7337 -1.7120 -1.6662 -1.6421 -1.4021 -1.4009 -1.3329 -1.3049 -1.2978 -1.2840 0.4063 0.4319 0.5551 0.5881 2.0462 2.0470 2.1504 2.1934 2.6807 2.7008 2.7376 2.7514 8.5658 8.5713 9.3256 9.3654 9.7575 9.7873 9.8366 9.9109 k = 0.4054 0.5000 0.3506 ( 3804 PWs) bands (ev): -7.4333 -7.4333 -7.4296 -7.4286 -3.5565 -3.5139 -3.3981 -3.3643 -2.9145 -2.9116 -2.7531 -2.7190 -2.7045 -2.6803 -1.7318 -1.7130 -1.6631 -1.6421 -1.4015 -1.4011 -1.3294 -1.3027 -1.2977 -1.2834 0.4090 0.4324 0.5598 0.5904 2.0444 2.0493 2.1513 2.1972 2.6281 2.6448 2.6816 2.6992 8.6105 8.6174 9.3814 9.4272 9.7508 9.7810 9.8331 9.9109 k = 0.4189 0.5000 0.3506 ( 3800 PWs) bands (ev): -7.4296 -7.4296 -7.4267 -7.4258 -3.5527 -3.5165 -3.3930 -3.3643 -2.9134 -2.9118 -2.7471 -2.7140 -2.7057 -2.6805 -1.7300 -1.7141 -1.6602 -1.6422 -1.4012 -1.4011 -1.3260 -1.3017 -1.2967 -1.2830 0.4109 0.4317 0.5633 0.5907 2.0494 2.0575 2.1590 2.2069 2.5767 2.5902 2.6266 2.6478 8.6507 8.6585 9.4337 9.4850 9.7433 9.7729 9.8269 9.9071 k = 0.4324 0.5000 0.3506 ( 3796 PWs) bands (ev): -7.4264 -7.4264 -7.4242 -7.4234 -3.5491 -3.5191 -3.3882 -3.3646 -2.9126 -2.9119 -2.7414 -2.7100 -2.7064 -2.6811 -1.7282 -1.7152 -1.6575 -1.6425 -1.4012 -1.4008 -1.3228 -1.3020 -1.2948 -1.2828 0.4122 0.4301 0.5658 0.5896 2.0606 2.0706 2.1729 2.2222 2.5269 2.5378 2.5731 2.5974 8.6861 8.6942 9.4829 9.5387 9.7352 9.7633 9.8169 9.8984 k = 0.4459 0.5000 0.3506 ( 3800 PWs) bands (ev): -7.4239 -7.4238 -7.4221 -7.4214 -3.5456 -3.5218 -3.3839 -3.3652 -2.9121 -2.9119 -2.7363 -2.7101 -2.7036 -2.6820 -1.7266 -1.7163 -1.6549 -1.6430 -1.4012 -1.4007 -1.3197 -1.3029 -1.2926 -1.2829 0.4133 0.4279 0.5678 0.5874 2.0768 2.0877 2.1927 2.2426 2.4795 2.4886 2.5216 2.5484 8.7164 8.7240 9.5293 9.5885 9.7272 9.7531 9.8025 9.8842 k = 0.4595 0.5000 0.3506 ( 3796 PWs) bands (ev): -7.4219 -7.4218 -7.4203 -7.4198 -3.5423 -3.5245 -3.3801 -3.3661 -2.9119 -2.9118 -2.7315 -2.7119 -2.6996 -2.6832 -1.7251 -1.7174 -1.6526 -1.6437 -1.4012 -1.4006 -1.3168 -1.3041 -1.2905 -1.2831 0.4143 0.4254 0.5695 0.5845 2.0964 2.1070 2.2177 2.2676 2.4354 2.4444 2.4730 2.5012 8.7411 8.7475 9.5730 9.6338 9.7202 9.7433 9.7843 9.8646 k = 0.4730 0.5000 0.3506 ( 3800 PWs) bands (ev): -7.4205 -7.4205 -7.4190 -7.4187 -3.5391 -3.5273 -3.3767 -3.3674 -2.9118 -2.9116 -2.7273 -2.7142 -2.6958 -2.6849 -1.7237 -1.7186 -1.6505 -1.6446 -1.4011 -1.4007 -1.3141 -1.3056 -1.2886 -1.2836 0.4154 0.4229 0.5713 0.5815 2.1168 2.1257 2.2471 2.2961 2.3961 2.4080 2.4292 2.4561 8.7596 8.7643 9.6140 9.6723 9.7149 9.7342 9.7654 9.8401 k = 0.4865 0.5000 0.3506 ( 3792 PWs) bands (ev): -7.4197 -7.4197 -7.4181 -7.4180 -3.5359 -3.5300 -3.3737 -3.3691 -2.9116 -2.9115 -2.7234 -2.7169 -2.6924 -2.6869 -1.7223 -1.7197 -1.6487 -1.6457 -1.4009 -1.4007 -1.3117 -1.3074 -1.2869 -1.2844 0.4167 0.4205 0.5733 0.5784 2.1341 2.1394 2.2798 2.3231 2.3655 2.3840 2.3949 2.4138 8.7715 8.7740 9.6519 9.6958 9.7118 9.7199 9.7615 9.8119 k = 0.5000 0.5000 0.3506 ( 3792 PWs) bands (ev): -7.4194 -7.4194 -7.4178 -7.4178 -3.5329 -3.5329 -3.3712 -3.3712 -2.9115 -2.9115 -2.7200 -2.7200 -2.6894 -2.6894 -1.7210 -1.7210 -1.6471 -1.6471 -1.4008 -1.4008 -1.3094 -1.3094 -1.2855 -1.2855 0.4184 0.4184 0.5757 0.5757 2.1429 2.1429 2.3128 2.3128 2.3761 2.3761 2.3789 2.3789 8.7764 8.7764 9.6849 9.6849 9.7106 9.7106 9.7827 9.7827 k = 0.5000 0.5000 0.3506 ( 3792 PWs) bands (ev): -7.4194 -7.4194 -7.4178 -7.4178 -3.5329 -3.5329 -3.3712 -3.3712 -2.9115 -2.9115 -2.7200 -2.7200 -2.6894 -2.6894 -1.7210 -1.7210 -1.6471 -1.6471 -1.4008 -1.4008 -1.3094 -1.3094 -1.2855 -1.2855 0.4184 0.4184 0.5757 0.5757 2.1429 2.1429 2.3128 2.3128 2.3761 2.3761 2.3789 2.3789 8.7764 8.7764 9.6849 9.6849 9.7106 9.7106 9.7827 9.7827 k = 0.4906 0.4906 0.3506 ( 3792 PWs) bands (ev): -7.4197 -7.4197 -7.4181 -7.4180 -3.5359 -3.5301 -3.3737 -3.3691 -2.9116 -2.9115 -2.7233 -2.7169 -2.6924 -2.6870 -1.7223 -1.7198 -1.6487 -1.6457 -1.4009 -1.4007 -1.3116 -1.3074 -1.2869 -1.2845 0.4168 0.4205 0.5734 0.5784 2.1343 2.1395 2.2802 2.3233 2.3655 2.3834 2.3948 2.4134 8.7716 8.7741 9.6522 9.6956 9.7124 9.7194 9.7619 9.8115 k = 0.4811 0.4811 0.3506 ( 3796 PWs) bands (ev): -7.4205 -7.4204 -7.4190 -7.4187 -3.5389 -3.5273 -3.3766 -3.3675 -2.9118 -2.9115 -2.7271 -2.7143 -2.6957 -2.6850 -1.7236 -1.7186 -1.6505 -1.6446 -1.4011 -1.4006 -1.3141 -1.3057 -1.2885 -1.2837 0.4154 0.4229 0.5714 0.5815 2.1169 2.1261 2.2473 2.2967 2.3963 2.4064 2.4282 2.4555 8.7600 8.7646 9.6138 9.6705 9.7169 9.7348 9.7667 9.8400 k = 0.4717 0.4717 0.3506 ( 3796 PWs) bands (ev): -7.4218 -7.4218 -7.4202 -7.4199 -3.5420 -3.5247 -3.3798 -3.3663 -2.9119 -2.9117 -2.7313 -2.7121 -2.6992 -2.6835 -1.7250 -1.7176 -1.6525 -1.6438 -1.4012 -1.4006 -1.3167 -1.3042 -1.2904 -1.2832 0.4146 0.4256 0.5700 0.5849 2.0954 2.1073 2.2168 2.2679 2.4367 2.4420 2.4713 2.5010 8.7419 8.7482 9.5709 9.6286 9.7247 9.7467 9.7884 9.8666 k = 0.4623 0.4623 0.3506 ( 3796 PWs) bands (ev): -7.4238 -7.4236 -7.4220 -7.4215 -3.5452 -3.5222 -3.3835 -3.3655 -2.9121 -2.9119 -2.7359 -2.7103 -2.7030 -2.6824 -1.7264 -1.7166 -1.6546 -1.6432 -1.4013 -1.4006 -1.3195 -1.3030 -1.2924 -1.2831 0.4142 0.4288 0.5690 0.5887 2.0734 2.0870 2.1895 2.2416 2.4824 2.4858 2.5195 2.5492 8.7179 8.7252 9.5239 9.5785 9.7361 9.7614 9.8130 9.8914 k = 0.4528 0.4528 0.3506 ( 3792 PWs) bands (ev): -7.4263 -7.4261 -7.4241 -7.4236 -3.5484 -3.5198 -3.3874 -3.3651 -2.9123 -2.9122 -2.7410 -2.7089 -2.7069 -2.6819 -1.7278 -1.7157 -1.6570 -1.6429 -1.4014 -1.4007 -1.3226 -1.3021 -1.2946 -1.2834 0.4144 0.4324 0.5687 0.5928 2.0527 2.0676 2.1656 2.2186 2.5325 2.5351 2.5712 2.6000 8.6885 8.6962 9.4730 9.5229 9.7509 9.7793 9.8377 9.9151 k = 0.4434 0.4434 0.3506 ( 3806 PWs) bands (ev): -7.4295 -7.4291 -7.4266 -7.4261 -3.5517 -3.5177 -3.3918 -3.3653 -2.9128 -2.9124 -2.7467 -2.7109 -2.7082 -2.6819 -1.7293 -1.7150 -1.6595 -1.6429 -1.4015 -1.4009 -1.3258 -1.3015 -1.2970 -1.2841 0.4154 0.4366 0.5692 0.5975 2.0344 2.0504 2.1454 2.1990 2.5860 2.5884 2.6255 2.6531 8.6544 8.6617 9.4187 9.4633 9.7690 9.8000 9.8624 9.9380 k = 0.4340 0.4340 0.3506 ( 3818 PWs) bands (ev): -7.4332 -7.4327 -7.4295 -7.4291 -3.5551 -3.5158 -3.3965 -3.3659 -2.9135 -2.9126 -2.7529 -2.7149 -2.7081 -2.6823 -1.7309 -1.7143 -1.6622 -1.6433 -1.4015 -1.4012 -1.3293 -1.3013 -1.2995 -1.2851 0.4171 0.4415 0.5704 0.6027 2.0192 2.0359 2.1289 2.1829 2.6423 2.6448 2.6820 2.7081 8.6163 8.6224 9.3614 9.4005 9.7900 9.8232 9.8872 9.9608 k = 0.4245 0.4245 0.3506 ( 3814 PWs) bands (ev): -7.4375 -7.4368 -7.4328 -7.4324 -3.5584 -3.5140 -3.4014 -3.3668 -2.9144 -2.9126 -2.7594 -2.7187 -2.7085 -2.6830 -1.7324 -1.7139 -1.6650 -1.6439 -1.4016 -1.4015 -1.3328 -1.3020 -1.3014 -1.2866 0.4198 0.4471 0.5726 0.6085 2.0075 2.0246 2.1162 2.1703 2.7008 2.7034 2.7401 2.7648 8.5748 8.5792 9.3019 9.3354 9.8138 9.8488 9.9124 9.9838 k = 0.4151 0.4151 0.3506 ( 3814 PWs) bands (ev): -7.4423 -7.4415 -7.4365 -7.4361 -3.5617 -3.5125 -3.4065 -3.3681 -2.9155 -2.9125 -2.7665 -2.7224 -2.7097 -2.6841 -1.7340 -1.7135 -1.6678 -1.6448 -1.4022 -1.4015 -1.3366 -1.3046 -1.3019 -1.2884 0.4236 0.4536 0.5759 0.6150 1.9994 2.0167 2.1073 2.1611 2.7611 2.7638 2.7996 2.8229 8.5306 8.5327 9.2409 9.2687 9.8401 9.8764 9.9382 10.0073 k = 0.4057 0.4057 0.3506 ( 3806 PWs) bands (ev): -7.4476 -7.4466 -7.4406 -7.4402 -3.5650 -3.5112 -3.4119 -3.3697 -2.9168 -2.9124 -2.7739 -2.7259 -2.7115 -2.6854 -1.7356 -1.7134 -1.6708 -1.6459 -1.4029 -1.4014 -1.3405 -1.3073 -1.3028 -1.2906 0.4286 0.4611 0.5803 0.6224 1.9950 2.0123 2.1022 2.1555 2.8227 2.8254 2.8601 2.8821 8.4836 8.4844 9.1789 9.2013 9.8686 9.9059 9.9646 10.0316 k = 0.3962 0.3962 0.3506 ( 3812 PWs) bands (ev): -7.4533 -7.4523 -7.4451 -7.4448 -3.5685 -3.5103 -3.4175 -3.3717 -2.9183 -2.9123 -2.7817 -2.7293 -2.7142 -2.6871 -1.7373 -1.7134 -1.6739 -1.6474 -1.4038 -1.4013 -1.3445 -1.3099 -1.3041 -1.2931 0.4350 0.4697 0.5861 0.6308 1.9945 2.0115 2.1008 2.1532 2.8852 2.8879 2.9212 2.9421 8.4328 8.4368 9.1166 9.1337 9.8991 9.9372 9.9918 10.0567 k = 0.3868 0.3868 0.3506 ( 3816 PWs) bands (ev): -7.4595 -7.4584 -7.4500 -7.4496 -3.5719 -3.5097 -3.4233 -3.3740 -2.9202 -2.9121 -2.7898 -2.7327 -2.7176 -2.6891 -1.7390 -1.7137 -1.6771 -1.6492 -1.4049 -1.4011 -1.3486 -1.3126 -1.3059 -1.2961 0.4428 0.4797 0.5933 0.6403 1.9978 2.0141 2.1032 2.1543 2.9484 2.9508 2.9827 3.0026 8.3808 8.3883 9.0545 9.0666 9.9313 9.9699 10.0198 10.0828 k = 0.3774 0.3774 0.3506 ( 3812 PWs) bands (ev): -7.4662 -7.4650 -7.4553 -7.4549 -3.5752 -3.5094 -3.4292 -3.3766 -2.9222 -2.9117 -2.7980 -2.7360 -2.7217 -2.6914 -1.7408 -1.7141 -1.6804 -1.6513 -1.4062 -1.4009 -1.3526 -1.3153 -1.3081 -1.2993 0.4523 0.4910 0.6021 0.6510 2.0048 2.0202 2.1092 2.1587 3.0117 3.0137 3.0440 3.0631 8.3283 8.3395 8.9933 9.0004 9.9651 10.0040 10.0484 10.1096 k = 0.3679 0.3679 0.3506 ( 3804 PWs) bands (ev): -7.4732 -7.4720 -7.4609 -7.4605 -3.5785 -3.5095 -3.4353 -3.3794 -2.9246 -2.9112 -2.8062 -2.7391 -2.7264 -2.6940 -1.7425 -1.7148 -1.6838 -1.6535 -1.4079 -1.4006 -1.3567 -1.3180 -1.3108 -1.3027 0.4634 0.5038 0.6125 0.6630 2.0154 2.0297 2.1187 2.1662 3.0749 3.0762 3.1049 3.1234 8.2759 8.2909 8.9334 8.9357 10.0000 10.0393 10.0777 10.1373 k = 0.3585 0.3585 0.3506 ( 3800 PWs) bands (ev): -7.4807 -7.4793 -7.4668 -7.4664 -3.5819 -3.5099 -3.4415 -3.3824 -2.9274 -2.9106 -2.8145 -2.7422 -2.7318 -2.6971 -1.7443 -1.7157 -1.6872 -1.6560 -1.4098 -1.4003 -1.3606 -1.3206 -1.3140 -1.3063 0.4764 0.5183 0.6247 0.6765 2.0296 2.0425 2.1318 2.1769 3.1375 3.1380 3.1650 3.1832 8.2240 8.2431 8.8728 8.8752 10.0360 10.0752 10.1077 10.1655 k = 0.3491 0.3491 0.3506 ( 3804 PWs) bands (ev): -7.4884 -7.4871 -7.4731 -7.4727 -3.5852 -3.5108 -3.4478 -3.3857 -2.9305 -2.9101 -2.8226 -2.7454 -2.7376 -2.7006 -1.7462 -1.7169 -1.6908 -1.6588 -1.4121 -1.3999 -1.3644 -1.3232 -1.3177 -1.3100 0.4913 0.5345 0.6387 0.6915 2.0472 2.0584 2.1481 2.1906 3.1986 3.1992 3.2240 3.2419 8.1731 8.1963 8.8120 8.8190 10.0726 10.1115 10.1385 10.1942 k = 0.3396 0.3396 0.3506 ( 3808 PWs) bands (ev): -7.4965 -7.4951 -7.4796 -7.4792 -3.5886 -3.5122 -3.4542 -3.3892 -2.9340 -2.9093 -2.8306 -2.7486 -2.7439 -2.7047 -1.7481 -1.7183 -1.6943 -1.6617 -1.4147 -1.3995 -1.3680 -1.3259 -1.3220 -1.3138 0.5082 0.5524 0.6547 0.7081 2.0682 2.0773 2.1678 2.2073 3.2577 3.2596 3.2814 3.2994 8.1238 8.1512 8.7537 8.7652 10.1095 10.1472 10.1704 10.2230 k = 0.3302 0.3302 0.3506 ( 3810 PWs) bands (ev): -7.5049 -7.5035 -7.4864 -7.4861 -3.5918 -3.5140 -3.4606 -3.3927 -2.9379 -2.9085 -2.8383 -2.7518 -2.7506 -2.7092 -1.7500 -1.7199 -1.6980 -1.6648 -1.4177 -1.3991 -1.3714 -1.3284 -1.3267 -1.3176 0.5271 0.5722 0.6726 0.7265 2.0922 2.0991 2.1905 2.2268 3.3149 3.3182 3.3371 3.3552 8.0762 8.1079 8.6981 8.7140 10.1465 10.1812 10.2041 10.2516 k = 0.3208 0.3208 0.3506 ( 3806 PWs) bands (ev): -7.5136 -7.5121 -7.4935 -7.4932 -3.5950 -3.5161 -3.4671 -3.3964 -2.9421 -2.9076 -2.8455 -2.7577 -2.7549 -2.7141 -1.7520 -1.7217 -1.7017 -1.6680 -1.4210 -1.3986 -1.3745 -1.3317 -1.3310 -1.3215 0.5481 0.5938 0.6925 0.7466 2.1193 2.1237 2.2163 2.2490 3.3698 3.3745 3.3909 3.4091 8.0308 8.0667 8.6452 8.6655 10.1831 10.2126 10.2398 10.2798 k = 0.3113 0.3113 0.3506 ( 3814 PWs) bands (ev): -7.5225 -7.5210 -7.5009 -7.5005 -3.5982 -3.5188 -3.4736 -3.4002 -2.9468 -2.9067 -2.8525 -2.7650 -2.7582 -2.7196 -1.7539 -1.7238 -1.7054 -1.6714 -1.4246 -1.3981 -1.3773 -1.3371 -1.3334 -1.3254 0.5712 0.6174 0.7144 0.7684 2.1492 2.1510 2.2450 2.2739 3.4220 3.4279 3.4425 3.4606 7.9879 8.0280 8.5954 8.6200 10.2189 10.2418 10.2766 10.3073 k = 0.3019 0.3019 0.3506 ( 3822 PWs) bands (ev): -7.5315 -7.5300 -7.5084 -7.5080 -3.6014 -3.5219 -3.4801 -3.4041 -2.9519 -2.9057 -2.8590 -2.7727 -2.7615 -2.7256 -1.7559 -1.7260 -1.7091 -1.6750 -1.4285 -1.3977 -1.3799 -1.3427 -1.3359 -1.3294 0.5964 0.6429 0.7383 0.7921 2.1807 2.1817 2.2764 2.3014 3.4712 3.4776 3.4922 3.5095 7.9476 7.9919 8.5487 8.5775 10.2537 10.2691 10.3137 10.3336 k = 0.2925 0.2925 0.3506 ( 3822 PWs) bands (ev): -7.5408 -7.5393 -7.5161 -7.5158 -3.6044 -3.5253 -3.4865 -3.4080 -2.9573 -2.9046 -2.8650 -2.7804 -2.7648 -2.7319 -1.7579 -1.7284 -1.7129 -1.6786 -1.4325 -1.3973 -1.3823 -1.3484 -1.3382 -1.3335 0.6237 0.6704 0.7643 0.8175 2.2127 2.2167 2.3104 2.3313 3.5170 3.5231 3.5399 3.5556 7.9100 7.9586 8.5050 8.5380 10.2869 10.2945 10.3502 10.3587 k = 0.2830 0.2830 0.3506 ( 3830 PWs) bands (ev): -7.5501 -7.5486 -7.5240 -7.5237 -3.6074 -3.5292 -3.4929 -3.4121 -2.9630 -2.9035 -2.8706 -2.7884 -2.7681 -2.7387 -1.7599 -1.7310 -1.7166 -1.6823 -1.4366 -1.3970 -1.3845 -1.3541 -1.3404 -1.3375 0.6531 0.6998 0.7922 0.8448 2.2470 2.2539 2.3470 2.3637 3.5591 3.5643 3.5851 3.5985 7.8753 7.9280 8.4645 8.5015 10.3179 10.3180 10.3823 10.3858 k = 0.2736 0.2736 0.3506 ( 3830 PWs) bands (ev): -7.5596 -7.5581 -7.5321 -7.5317 -3.6102 -3.5333 -3.4992 -3.4162 -2.9690 -2.9023 -2.8757 -2.7965 -2.7714 -2.7458 -1.7619 -1.7337 -1.7203 -1.6860 -1.4409 -1.3969 -1.3865 -1.3598 -1.3425 -1.3415 0.6846 0.7311 0.8220 0.8737 2.2833 2.2933 2.3859 2.3983 3.5971 3.6011 3.6274 3.6381 7.8436 7.9003 8.4271 8.4679 10.3393 10.3458 10.4046 10.4199 k = 0.2642 0.2642 0.3506 ( 3830 PWs) bands (ev): -7.5691 -7.5677 -7.5402 -7.5399 -3.6130 -3.5378 -3.5054 -3.4204 -2.9750 -2.9012 -2.8805 -2.8047 -2.7747 -2.7531 -1.7639 -1.7365 -1.7239 -1.6898 -1.4451 -1.3971 -1.3884 -1.3651 -1.3455 -1.3445 0.7180 0.7643 0.8536 0.9044 2.3215 2.3344 2.4271 2.4352 3.6309 3.6335 3.6662 3.6741 7.8147 7.8754 8.3926 8.4371 10.3578 10.3691 10.4261 10.4523 k = 0.2547 0.2547 0.3506 ( 3826 PWs) bands (ev): -7.5787 -7.5773 -7.5484 -7.5481 -3.6156 -3.5425 -3.5114 -3.4247 -2.9811 -2.9001 -2.8849 -2.8128 -2.7779 -2.7607 -1.7658 -1.7393 -1.7275 -1.6936 -1.4493 -1.3978 -1.3902 -1.3700 -1.3494 -1.3464 0.7534 0.7993 0.8870 0.9368 2.3614 2.3773 2.4702 2.4743 3.6603 3.6614 3.7014 3.7065 7.7886 7.8531 8.3610 8.4089 10.3722 10.3846 10.4475 10.4825 k = 0.2453 0.2453 0.3506 ( 3826 PWs) bands (ev): -7.5882 -7.5868 -7.5567 -7.5564 -3.6182 -3.5474 -3.5174 -3.4291 -2.9873 -2.8991 -2.8889 -2.8210 -2.7811 -2.7685 -1.7677 -1.7422 -1.7311 -1.6975 -1.4534 -1.3994 -1.3919 -1.3740 -1.3533 -1.3481 0.7906 0.8360 0.9222 0.9707 2.4030 2.4215 2.5153 2.5154 3.6849 3.6851 3.7326 3.7349 7.7652 7.8334 8.3319 8.3831 10.3794 10.3875 10.4694 10.5094 k = 0.2358 0.2358 0.3506 ( 3830 PWs) bands (ev): -7.5977 -7.5964 -7.5650 -7.5647 -3.6206 -3.5525 -3.5232 -3.4337 -2.9934 -2.8983 -2.8927 -2.8291 -2.7843 -2.7763 -1.7696 -1.7451 -1.7345 -1.7013 -1.4575 -1.4020 -1.3935 -1.3769 -1.3570 -1.3497 0.8296 0.8745 0.9589 1.0062 2.4459 2.4669 2.5585 2.5622 3.7039 3.7052 3.7594 3.7598 7.7442 7.8158 8.3054 8.3593 10.3704 10.3726 10.4908 10.5302 k = 0.2264 0.2264 0.3506 ( 3826 PWs) bands (ev): -7.6072 -7.6059 -7.5733 -7.5730 -3.6229 -3.5576 -3.5288 -3.4384 -2.9993 -2.8978 -2.8962 -2.8371 -2.7874 -2.7842 -1.7715 -1.7480 -1.7378 -1.7052 -1.4614 -1.4057 -1.3951 -1.3788 -1.3607 -1.3513 0.8703 0.9145 0.9971 1.0431 2.4902 2.5132 2.6035 2.6106 3.7183 3.7207 3.7799 3.7828 7.7255 7.8002 8.2809 8.3373 10.3256 10.3397 10.5085 10.5359 k = 0.2170 0.2170 0.3506 ( 3822 PWs) bands (ev): -7.6165 -7.6153 -7.5816 -7.5813 -3.6251 -3.5629 -3.5342 -3.4432 -3.0050 -2.8995 -2.8977 -2.8447 -2.7919 -2.7904 -1.7733 -1.7509 -1.7411 -1.7091 -1.4651 -1.4102 -1.3966 -1.3798 -1.3641 -1.3526 0.9126 0.9560 1.0367 1.0812 2.5356 2.5602 2.6502 2.6604 3.7282 3.7315 3.7964 3.8016 7.7087 7.7863 8.2584 8.3166 10.2532 10.2734 10.4969 10.5120 k = 0.2075 0.2075 0.3506 ( 3826 PWs) bands (ev): -7.6258 -7.6245 -7.5898 -7.5895 -3.6272 -3.5682 -3.5393 -3.4483 -3.0105 -2.9027 -2.8981 -2.8521 -2.7995 -2.7934 -1.7750 -1.7538 -1.7442 -1.7129 -1.4688 -1.4152 -1.3981 -1.3802 -1.3674 -1.3539 0.9563 0.9989 1.0775 1.1206 2.5818 2.6077 2.6985 2.7113 3.7338 3.7379 3.8088 3.8163 7.6937 7.7737 8.2374 8.2970 10.1620 10.1821 10.4000 10.4700 k = 0.1981 0.1981 0.3506 ( 3826 PWs) bands (ev): -7.6348 -7.6336 -7.5978 -7.5976 -3.6291 -3.5734 -3.5443 -3.4534 -3.0158 -2.9056 -2.8994 -2.8589 -2.8067 -2.7962 -1.7767 -1.7565 -1.7472 -1.7168 -1.4722 -1.4205 -1.3995 -1.3804 -1.3704 -1.3551 1.0013 1.0430 1.1194 1.1610 2.6288 2.6554 2.7481 2.7633 3.7352 3.7398 3.8174 3.8269 7.6800 7.7621 8.2177 8.2780 10.0609 10.0780 10.2829 10.3733 k = 0.1887 0.1887 0.3506 ( 3818 PWs) bands (ev): -7.6436 -7.6425 -7.6058 -7.6055 -3.6309 -3.5786 -3.5489 -3.4587 -3.0206 -2.9084 -2.9017 -2.8650 -2.8133 -2.7989 -1.7783 -1.7592 -1.7500 -1.7205 -1.4754 -1.4258 -1.4009 -1.3808 -1.3728 -1.3561 1.0475 1.0882 1.1622 1.2024 2.6763 2.7033 2.7989 2.8160 3.7326 3.7376 3.8221 3.8335 7.6674 7.7511 8.1990 8.2593 9.9555 9.9687 10.1596 10.2546 k = 0.1792 0.1792 0.3506 ( 3818 PWs) bands (ev): -7.6523 -7.6512 -7.6136 -7.6133 -3.6325 -3.5837 -3.5532 -3.4641 -3.0251 -2.9111 -2.9053 -2.8702 -2.8195 -2.8014 -1.7798 -1.7618 -1.7527 -1.7243 -1.4784 -1.4312 -1.4022 -1.3817 -1.3745 -1.3571 1.0947 1.1344 1.2059 1.2445 2.7242 2.7510 2.8506 2.8693 3.7262 3.7314 3.8232 3.8362 7.6556 7.7405 8.1809 8.2406 9.8491 9.8581 10.0349 10.1297 k = 0.1698 0.1698 0.3506 ( 3812 PWs) bands (ev): -7.6606 -7.6596 -7.6212 -7.6209 -3.6341 -3.5887 -3.5572 -3.4696 -3.0293 -2.9136 -2.9101 -2.8746 -2.8248 -2.8039 -1.7813 -1.7643 -1.7552 -1.7279 -1.4812 -1.4364 -1.4035 -1.3835 -1.3751 -1.3579 1.1427 1.1814 1.2501 1.2872 2.7721 2.7985 2.9028 2.9228 3.7164 3.7214 3.8208 3.8354 7.6444 7.7299 8.1633 8.2216 9.7437 9.7484 9.9108 10.0037 k = 0.1604 0.1604 0.3506 ( 3822 PWs) bands (ev): -7.6687 -7.6678 -7.6286 -7.6283 -3.6356 -3.5937 -3.5611 -3.4753 -3.0331 -2.9162 -2.9161 -2.8785 -2.8294 -2.8062 -1.7826 -1.7667 -1.7577 -1.7316 -1.4839 -1.4416 -1.4047 -1.3857 -1.3751 -1.3587 1.1913 1.2289 1.2947 1.3302 2.8198 2.8455 2.9551 2.9763 3.7033 3.7081 3.8153 3.8312 7.6336 7.7191 8.1460 8.2021 9.6405 9.6411 9.7889 9.8790 k = 0.1509 0.1509 0.3506 ( 3826 PWs) bands (ev): -7.6765 -7.6756 -7.6357 -7.6355 -3.6369 -3.5984 -3.5644 -3.4810 -3.0365 -2.9231 -2.9183 -2.8822 -2.8331 -2.8085 -1.7839 -1.7690 -1.7599 -1.7351 -1.4863 -1.4466 -1.4059 -1.3880 -1.3747 -1.3594 1.2404 1.2768 1.3396 1.3735 2.8672 2.8918 3.0072 3.0295 3.6875 3.6917 3.8069 3.8239 7.6230 7.7079 8.1287 8.1821 9.5370 9.5404 9.6701 9.7570 k = 0.1415 0.1415 0.3506 ( 3836 PWs) bands (ev): -7.6839 -7.6831 -7.6426 -7.6424 -3.6382 -3.6030 -3.5675 -3.4868 -3.0395 -2.9305 -2.9205 -2.8860 -2.8358 -2.8106 -1.7851 -1.7711 -1.7620 -1.7385 -1.4885 -1.4514 -1.4070 -1.3905 -1.3742 -1.3601 1.2897 1.3248 1.3843 1.4167 2.9138 2.9373 3.0586 3.0821 3.6694 3.6726 3.7960 3.8139 7.6125 7.6963 8.1114 8.1614 9.4368 9.4440 9.5552 9.6386 k = 0.1321 0.1321 0.3506 ( 3838 PWs) bands (ev): -7.6910 -7.6902 -7.6491 -7.6489 -3.6393 -3.6073 -3.5701 -3.4926 -3.0420 -2.9381 -2.9225 -2.8897 -2.8377 -2.8125 -1.7862 -1.7732 -1.7639 -1.7418 -1.4905 -1.4560 -1.4080 -1.3928 -1.3736 -1.3607 1.3388 1.3727 1.4289 1.4597 2.9594 2.9816 3.1089 3.1338 3.6493 3.6512 3.7829 3.8015 7.6022 7.6842 8.0941 8.1401 9.3412 9.3519 9.4447 9.5245 k = 0.1226 0.1226 0.3506 ( 3830 PWs) bands (ev): -7.6977 -7.6970 -7.6553 -7.6551 -3.6402 -3.6114 -3.5723 -3.4983 -3.0440 -2.9459 -2.9243 -2.8936 -2.8388 -2.8143 -1.7871 -1.7751 -1.7657 -1.7450 -1.4923 -1.4604 -1.4089 -1.3950 -1.3729 -1.3612 1.3877 1.4202 1.4728 1.5020 3.0036 3.0246 3.1575 3.1841 3.6279 3.6280 3.7681 3.7870 7.5919 7.6715 8.0766 8.1183 9.2505 9.2644 9.3393 9.4151 k = 0.1132 0.1132 0.3506 ( 3830 PWs) bands (ev): -7.7040 -7.7033 -7.6612 -7.6610 -3.6411 -3.6153 -3.5741 -3.5041 -3.0457 -2.9537 -2.9260 -2.8974 -2.8393 -2.8159 -1.7879 -1.7769 -1.7673 -1.7481 -1.4938 -1.4645 -1.4098 -1.3971 -1.3722 -1.3617 1.4358 1.4669 1.5159 1.5435 3.0463 3.0658 3.2037 3.2326 3.6032 3.6060 3.7519 3.7711 7.5817 7.6584 8.0591 8.0961 9.1653 9.1820 9.2395 9.3111 k = 0.1038 0.1038 0.3506 ( 3834 PWs) bands (ev): -7.7099 -7.7093 -7.6667 -7.6665 -3.6419 -3.6190 -3.5755 -3.5098 -3.0468 -2.9615 -2.9275 -2.9013 -2.8395 -2.8175 -1.7886 -1.7785 -1.7687 -1.7510 -1.4952 -1.4685 -1.4105 -1.3991 -1.3716 -1.3621 1.4830 1.5126 1.5578 1.5837 3.0868 3.1051 3.2468 3.2790 3.5776 3.5843 3.7350 3.7540 7.5719 7.6450 8.0417 8.0739 9.0859 9.1050 9.1457 9.2129 k = 0.0943 0.0943 0.3506 ( 3830 PWs) bands (ev): -7.7153 -7.7147 -7.6718 -7.6716 -3.6426 -3.6224 -3.5765 -3.5154 -3.0475 -2.9691 -2.9288 -2.9051 -2.8393 -2.8190 -1.7892 -1.7800 -1.7700 -1.7538 -1.4963 -1.4721 -1.4112 -1.4009 -1.3710 -1.3625 1.5287 1.5567 1.5981 1.6224 3.1249 3.1420 3.2855 3.3226 3.5516 3.5639 3.7179 3.7363 7.5624 7.6313 8.0244 8.0518 9.0126 9.0336 9.0585 9.1210 k = 0.0849 0.0849 0.3506 ( 3832 PWs) bands (ev): -7.7202 -7.7197 -7.6764 -7.6763 -3.6432 -3.6256 -3.5770 -3.5210 -3.0478 -2.9765 -2.9299 -2.9087 -2.8388 -2.8204 -1.7897 -1.7815 -1.7710 -1.7564 -1.4973 -1.4756 -1.4118 -1.4026 -1.3704 -1.3629 1.5726 1.5989 1.6366 1.6592 3.1602 3.1763 3.3184 3.3628 3.5260 3.5466 3.7012 3.7187 7.5535 7.6176 8.0076 8.0303 8.9459 8.9681 8.9783 9.0358 k = 0.0755 0.0755 0.3506 ( 3824 PWs) bands (ev): -7.7247 -7.7243 -7.6806 -7.6805 -3.6436 -3.6284 -3.5770 -3.5263 -3.0475 -2.9837 -2.9308 -2.9121 -2.8381 -2.8217 -1.7901 -1.7828 -1.7719 -1.7589 -1.4979 -1.4787 -1.4123 -1.4042 -1.3698 -1.3633 1.6142 1.6386 1.6727 1.6935 3.1921 3.2075 3.3434 3.3987 3.5018 3.5343 3.6856 3.7017 7.5454 7.6041 7.9913 8.0097 8.8859 8.9056 8.9087 8.9578 k = 0.0660 0.0660 0.3506 ( 3832 PWs) bands (ev): -7.7287 -7.7283 -7.6844 -7.6843 -3.6441 -3.6311 -3.5766 -3.5317 -3.0468 -2.9906 -2.9316 -2.9153 -2.8374 -2.8230 -1.7904 -1.7840 -1.7727 -1.7612 -1.4984 -1.4817 -1.4127 -1.4057 -1.3693 -1.3636 1.6530 1.6755 1.7061 1.7251 3.2201 3.2351 3.3589 3.4281 3.4812 3.5288 3.6720 3.6861 7.5381 7.5910 7.9759 7.9903 8.8323 8.8415 8.8555 8.8872 k = 0.0566 0.0566 0.3506 ( 3836 PWs) bands (ev): -7.7321 -7.7318 -7.6877 -7.6876 -3.6444 -3.6335 -3.5758 -3.5367 -3.0457 -2.9973 -2.9321 -2.9183 -2.8366 -2.8242 -1.7905 -1.7850 -1.7732 -1.7634 -1.4987 -1.4844 -1.4130 -1.4070 -1.3687 -1.3640 1.6885 1.7087 1.7364 1.7534 3.2437 3.2587 3.3652 3.4402 3.4752 3.5301 3.6612 3.6728 7.5320 7.5785 7.9617 7.9726 8.7818 8.7897 8.8087 8.8247 k = 0.0472 0.0472 0.3506 ( 3836 PWs) bands (ev): -7.7351 -7.7348 -7.6905 -7.6905 -3.6445 -3.6357 -3.5745 -3.5416 -3.0441 -3.0035 -2.9324 -2.9209 -2.8357 -2.8254 -1.7906 -1.7860 -1.7735 -1.7653 -1.4988 -1.4869 -1.4131 -1.4082 -1.3682 -1.3643 1.7202 1.7379 1.7633 1.7781 3.2624 3.2772 3.3657 3.4295 3.4894 3.5351 3.6538 3.6626 7.5272 7.5668 7.9489 7.9569 8.7347 8.7505 8.7680 8.7710 k = 0.0377 0.0377 0.3506 ( 3838 PWs) bands (ev): -7.7375 -7.7373 -7.6928 -7.6928 -3.6445 -3.6376 -3.5728 -3.5463 -3.0420 -3.0095 -2.9325 -2.9233 -2.8348 -2.8265 -1.7905 -1.7869 -1.7736 -1.7671 -1.4986 -1.4891 -1.4132 -1.4093 -1.3678 -1.3647 1.7475 1.7623 1.7862 1.7986 3.2759 3.2896 3.3651 3.4161 3.5044 3.5400 3.6501 3.6560 7.5238 7.5561 7.9379 7.9435 8.6959 8.7195 8.7246 8.7353 k = 0.0283 0.0283 0.3506 ( 3832 PWs) bands (ev): -7.7394 -7.7392 -7.6946 -7.6946 -3.6443 -3.6392 -3.5707 -3.5506 -3.0395 -3.0150 -2.9323 -2.9255 -2.8337 -2.8275 -1.7904 -1.7877 -1.7735 -1.7686 -1.4982 -1.4911 -1.4131 -1.4102 -1.3673 -1.3650 1.7698 1.7814 1.8050 1.8147 3.2846 3.2957 3.3668 3.4051 3.5157 3.5425 3.6494 3.6531 7.5220 7.5466 7.9290 7.9327 8.6662 8.6880 8.6961 8.7086 k = 0.0189 0.0189 0.3506 ( 3840 PWs) bands (ev): -7.7407 -7.7406 -7.6959 -7.6959 -3.6440 -3.6406 -3.5682 -3.5548 -3.0365 -3.0202 -2.9319 -2.9273 -2.8328 -2.8286 -1.7902 -1.7884 -1.7733 -1.7700 -1.4976 -1.4929 -1.4130 -1.4110 -1.3669 -1.3653 1.7868 1.7948 1.8192 1.8259 3.2895 3.2968 3.3713 3.3966 3.5239 3.5420 3.6506 3.6526 7.5219 7.5384 7.9225 7.9247 8.6459 8.6605 8.6800 8.6887 k = 0.0094 0.0094 0.3506 ( 3856 PWs) bands (ev): -7.7416 -7.7415 -7.6967 -7.6967 -3.6435 -3.6419 -3.5655 -3.5588 -3.0332 -3.0250 -2.9312 -2.9289 -2.8318 -2.8298 -1.7899 -1.7890 -1.7728 -1.7712 -1.4968 -1.4945 -1.4127 -1.4117 -1.3665 -1.3657 1.7979 1.8020 1.8286 1.8320 3.2921 3.2956 3.3773 3.3898 3.5301 3.5393 3.6521 3.6530 7.5235 7.5318 7.9187 7.9197 8.6351 8.6425 8.6714 8.6758 k = 0.0000 0.0000 0.3506 ( 3872 PWs) bands (ev): -7.7418 -7.7418 -7.6970 -7.6970 -3.6429 -3.6429 -3.5624 -3.5624 -3.0294 -3.0294 -2.9303 -2.9303 -2.8309 -2.8309 -1.7895 -1.7895 -1.7721 -1.7721 -1.4958 -1.4958 -1.4123 -1.4123 -1.3661 -1.3661 1.8031 1.8031 1.8329 1.8329 3.2939 3.2939 3.3835 3.3835 3.5352 3.5352 3.6530 3.6530 7.5268 7.5268 7.9177 7.9177 8.6340 8.6340 8.6700 8.6700 k = 0.0000 0.5000-0.0000 ( 3846 PWs) bands (ev): -7.5840 -7.5840 -7.5503 -7.5503 -3.6150 -3.6150 -3.4307 -3.4307 -2.9907 -2.9907 -2.8343 -2.8343 -2.7328 -2.7328 -1.7772 -1.7772 -1.6919 -1.6919 -1.4587 -1.4587 -1.3752 -1.3752 -1.3291 -1.3291 0.8114 0.8114 0.8987 0.8987 2.3076 2.3076 2.5202 2.5202 3.6632 3.6632 3.7902 3.7902 7.7923 7.7923 8.4585 8.4585 10.3107 10.3107 10.5129 10.5129 k = 0.0000 0.5000 0.0135 ( 3832 PWs) bands (ev): -7.5840 -7.5840 -7.5503 -7.5503 -3.6150 -3.6150 -3.4305 -3.4305 -2.9906 -2.9906 -2.8342 -2.8342 -2.7326 -2.7326 -1.7771 -1.7771 -1.6918 -1.6918 -1.4586 -1.4586 -1.3750 -1.3750 -1.3290 -1.3290 0.8076 0.8076 0.8943 0.8943 2.3135 2.3135 2.5255 2.5255 3.6633 3.6633 3.7904 3.7904 7.7870 7.7870 8.4526 8.4526 10.3053 10.3053 10.5080 10.5080 k = 0.0000 0.5000 0.0270 ( 3828 PWs) bands (ev): -7.5840 -7.5840 -7.5502 -7.5502 -3.6149 -3.6149 -3.4304 -3.4304 -2.9905 -2.9905 -2.8340 -2.8340 -2.7323 -2.7323 -1.7770 -1.7770 -1.6915 -1.6915 -1.4584 -1.4584 -1.3747 -1.3747 -1.3288 -1.3288 0.7962 0.7962 0.8816 0.8816 2.3311 2.3311 2.5410 2.5410 3.6635 3.6635 3.7909 3.7909 7.7713 7.7713 8.4352 8.4352 10.2915 10.2915 10.4959 10.4959 k = 0.0000 0.5000 0.0405 ( 3826 PWs) bands (ev): -7.5839 -7.5839 -7.5501 -7.5501 -3.6148 -3.6148 -3.4301 -3.4301 -2.9903 -2.9903 -2.8338 -2.8338 -2.7319 -2.7319 -1.7767 -1.7767 -1.6911 -1.6911 -1.4580 -1.4580 -1.3742 -1.3742 -1.3286 -1.3286 0.7778 0.7778 0.8611 0.8611 2.3595 2.3595 2.5664 2.5664 3.6640 3.6640 3.7917 3.7917 7.7456 7.7456 8.4067 8.4067 10.2740 10.2740 10.4813 10.4813 k = 0.0000 0.5000 0.0539 ( 3828 PWs) bands (ev): -7.5839 -7.5839 -7.5499 -7.5499 -3.6146 -3.6146 -3.4298 -3.4298 -2.9901 -2.9901 -2.8335 -2.8335 -2.7313 -2.7313 -1.7764 -1.7764 -1.6905 -1.6905 -1.4574 -1.4574 -1.3735 -1.3735 -1.3283 -1.3283 0.7531 0.7531 0.8339 0.8339 2.3977 2.3977 2.6007 2.6007 3.6646 3.6646 3.7929 3.7929 7.7104 7.7104 8.3678 8.3678 10.2570 10.2570 10.4677 10.4677 k = 0.0000 0.5000 0.0674 ( 3824 PWs) bands (ev): -7.5838 -7.5838 -7.5496 -7.5496 -3.6145 -3.6145 -3.4293 -3.4293 -2.9897 -2.9897 -2.8332 -2.8332 -2.7304 -2.7304 -1.7760 -1.7760 -1.6898 -1.6898 -1.4567 -1.4567 -1.3726 -1.3726 -1.3279 -1.3279 0.7230 0.7230 0.8011 0.8011 2.4445 2.4445 2.6431 2.6431 3.6654 3.6654 3.7944 3.7944 7.6665 7.6665 8.3195 8.3195 10.2432 10.2432 10.4571 10.4571 k = 0.0000 0.5000 0.0809 ( 3822 PWs) bands (ev): -7.5836 -7.5836 -7.5493 -7.5493 -3.6142 -3.6142 -3.4288 -3.4288 -2.9893 -2.9893 -2.8328 -2.8328 -2.7294 -2.7294 -1.7754 -1.7754 -1.6889 -1.6889 -1.4558 -1.4558 -1.3716 -1.3716 -1.3274 -1.3274 0.6885 0.6885 0.7641 0.7641 2.4985 2.4985 2.6924 2.6924 3.6665 3.6665 3.7962 3.7962 7.6147 7.6147 8.2630 8.2630 10.2340 10.2340 10.4509 10.4509 k = 0.0000 0.5000 0.0944 ( 3822 PWs) bands (ev): -7.5835 -7.5835 -7.5489 -7.5489 -3.6140 -3.6140 -3.4283 -3.4283 -2.9887 -2.9887 -2.8324 -2.8324 -2.7283 -2.7283 -1.7748 -1.7748 -1.6880 -1.6880 -1.4548 -1.4548 -1.3704 -1.3704 -1.3267 -1.3267 0.6506 0.6506 0.7239 0.7239 2.5584 2.5584 2.7476 2.7476 3.6677 3.6677 3.7983 3.7983 7.5560 7.5560 8.1993 8.1993 10.2300 10.2300 10.4495 10.4495 k = 0.0000 0.5000 0.1079 ( 3822 PWs) bands (ev): -7.5834 -7.5834 -7.5486 -7.5486 -3.6137 -3.6137 -3.4276 -3.4276 -2.9882 -2.9882 -2.8319 -2.8319 -2.7270 -2.7270 -1.7741 -1.7741 -1.6869 -1.6869 -1.4537 -1.4537 -1.3690 -1.3690 -1.3260 -1.3260 0.6103 0.6103 0.6816 0.6816 2.6231 2.6231 2.8077 2.8077 3.6691 3.6691 3.8007 3.8007 7.4913 7.4913 8.1297 8.1297 10.2315 10.2315 10.4532 10.4532 k = 0.0000 0.5000 0.1214 ( 3834 PWs) bands (ev): -7.5832 -7.5832 -7.5481 -7.5481 -3.6135 -3.6135 -3.4270 -3.4270 -2.9877 -2.9877 -2.8315 -2.8315 -2.7257 -2.7257 -1.7734 -1.7734 -1.6857 -1.6857 -1.4525 -1.4525 -1.3676 -1.3676 -1.3252 -1.3252 0.5683 0.5683 0.6380 0.6380 2.6915 2.6915 2.8715 2.8715 3.6707 3.6707 3.8035 3.8035 7.4218 7.4218 8.0554 8.0554 10.2382 10.2382 10.4619 10.4619 k = 0.0000 0.5000 0.1348 ( 3826 PWs) bands (ev): -7.5830 -7.5830 -7.5477 -7.5477 -3.6132 -3.6132 -3.4262 -3.4262 -2.9870 -2.9870 -2.8309 -2.8309 -2.7240 -2.7240 -1.7726 -1.7726 -1.6844 -1.6844 -1.4511 -1.4511 -1.3660 -1.3660 -1.3242 -1.3242 0.5256 0.5256 0.5939 0.5939 2.7626 2.7626 2.9382 2.9382 3.6726 3.6726 3.8065 3.8065 7.3484 7.3484 7.9775 7.9775 10.2500 10.2500 10.4754 10.4754 k = 0.0000 0.5000 0.1483 ( 3818 PWs) bands (ev): -7.5829 -7.5829 -7.5472 -7.5472 -3.6128 -3.6128 -3.4254 -3.4254 -2.9863 -2.9863 -2.8304 -2.8304 -2.7223 -2.7223 -1.7717 -1.7717 -1.6830 -1.6830 -1.4496 -1.4496 -1.3643 -1.3643 -1.3231 -1.3231 0.4827 0.4827 0.5500 0.5500 2.8356 2.8356 3.0068 3.0068 3.6747 3.6747 3.8099 3.8099 7.2721 7.2721 7.8972 7.8972 10.2664 10.2664 10.4932 10.4932 k = 0.0000 0.5000 0.1618 ( 3828 PWs) bands (ev): -7.5827 -7.5827 -7.5467 -7.5467 -3.6126 -3.6126 -3.4246 -3.4246 -2.9857 -2.9857 -2.8299 -2.8299 -2.7206 -2.7206 -1.7709 -1.7709 -1.6817 -1.6817 -1.4481 -1.4481 -1.3627 -1.3627 -1.3218 -1.3218 0.4402 0.4402 0.5068 0.5068 2.9095 2.9095 3.0764 3.0764 3.6772 3.6772 3.8136 3.8136 7.1939 7.1939 7.8155 7.8155 10.2870 10.2870 10.5149 10.5149 k = 0.0000 0.5000 0.1753 ( 3838 PWs) bands (ev): -7.5825 -7.5825 -7.5462 -7.5462 -3.6123 -3.6123 -3.4239 -3.4239 -2.9851 -2.9851 -2.8294 -2.8294 -2.7188 -2.7188 -1.7700 -1.7700 -1.6803 -1.6803 -1.4466 -1.4466 -1.3610 -1.3610 -1.3205 -1.3205 0.3987 0.3987 0.4648 0.4648 2.9835 2.9835 3.1461 3.1461 3.6800 3.6800 3.8177 3.8177 7.1146 7.1146 7.7334 7.7334 10.3112 10.3112 10.5400 10.5400 k = 0.0000 0.5000 0.1888 ( 3832 PWs) bands (ev): -7.5823 -7.5823 -7.5457 -7.5457 -3.6119 -3.6119 -3.4231 -3.4231 -2.9844 -2.9844 -2.8289 -2.8289 -2.7169 -2.7169 -1.7691 -1.7691 -1.6788 -1.6788 -1.4450 -1.4450 -1.3594 -1.3594 -1.3189 -1.3189 0.3587 0.3587 0.4244 0.4244 3.0569 3.0569 3.2150 3.2150 3.6834 3.6834 3.8222 3.8222 7.0354 7.0354 7.6519 7.6519 10.3384 10.3384 10.5681 10.5681 k = 0.0000 0.5000 0.2023 ( 3824 PWs) bands (ev): -7.5821 -7.5821 -7.5452 -7.5452 -3.6116 -3.6116 -3.4222 -3.4222 -2.9836 -2.9836 -2.8284 -2.8284 -2.7150 -2.7150 -1.7681 -1.7681 -1.6774 -1.6774 -1.4433 -1.4433 -1.3578 -1.3578 -1.3173 -1.3173 0.3205 0.3205 0.3859 0.3859 3.1286 3.1286 3.2820 3.2820 3.6875 3.6875 3.8272 3.8272 6.9570 6.9570 7.5719 7.5719 10.3681 10.3681 10.5984 10.5984 k = 0.0000 0.5000 0.2157 ( 3828 PWs) bands (ev): -7.5820 -7.5820 -7.5448 -7.5448 -3.6113 -3.6113 -3.4215 -3.4215 -2.9830 -2.9830 -2.8280 -2.8280 -2.7131 -2.7131 -1.7672 -1.7672 -1.6761 -1.6761 -1.4417 -1.4417 -1.3563 -1.3563 -1.3156 -1.3156 0.2845 0.2845 0.3497 0.3497 3.1980 3.1980 3.3462 3.3462 3.6925 3.6925 3.8329 3.8329 6.8804 6.8804 7.4943 7.4943 10.3994 10.3994 10.6302 10.6302 k = 0.0000 0.5000 0.2292 ( 3828 PWs) bands (ev): -7.5818 -7.5818 -7.5443 -7.5443 -3.6110 -3.6110 -3.4208 -3.4208 -2.9823 -2.9823 -2.8276 -2.8276 -2.7113 -2.7113 -1.7664 -1.7664 -1.6748 -1.6748 -1.4401 -1.4401 -1.3549 -1.3549 -1.3138 -1.3138 0.2510 0.2510 0.3161 0.3161 3.2638 3.2638 3.4063 3.4063 3.6987 3.6987 3.8392 3.8392 6.8066 6.8066 7.4201 7.4201 10.4317 10.4317 10.6626 10.6626 k = 0.0000 0.5000 0.2427 ( 3840 PWs) bands (ev): -7.5816 -7.5816 -7.5439 -7.5439 -3.6108 -3.6108 -3.4202 -3.4202 -2.9818 -2.9818 -2.8273 -2.8273 -2.7096 -2.7096 -1.7656 -1.7656 -1.6736 -1.6736 -1.4387 -1.4387 -1.3536 -1.3536 -1.3120 -1.3120 0.2203 0.2203 0.2853 0.2853 3.3252 3.3252 3.4610 3.4610 3.7067 3.7067 3.8464 3.8464 6.7365 6.7365 7.3501 7.3501 10.4641 10.4641 10.6942 10.6942 k = 0.0000 0.5000 0.2562 ( 3832 PWs) bands (ev): -7.5815 -7.5815 -7.5435 -7.5435 -3.6105 -3.6105 -3.4195 -3.4195 -2.9812 -2.9812 -2.8269 -2.8269 -2.7079 -2.7079 -1.7648 -1.7648 -1.6724 -1.6724 -1.4372 -1.4372 -1.3525 -1.3525 -1.3103 -1.3103 0.1926 0.1926 0.2576 0.2576 3.3809 3.3809 3.5090 3.5090 3.7170 3.7170 3.8545 3.8545 6.6711 6.6711 7.2853 7.2853 10.4957 10.4957 10.7198 10.7198 k = 0.0000 0.5000 0.2697 ( 3824 PWs) bands (ev): -7.5813 -7.5813 -7.5432 -7.5432 -3.6102 -3.6102 -3.4189 -3.4189 -2.9806 -2.9806 -2.8266 -2.8266 -2.7064 -2.7064 -1.7641 -1.7641 -1.6714 -1.6714 -1.4359 -1.4359 -1.3515 -1.3515 -1.3086 -1.3086 0.1682 0.1682 0.2331 0.2331 3.4299 3.4299 3.5492 3.5492 3.7298 3.7298 3.8637 3.8637 6.6115 6.6115 7.2267 7.2267 10.5255 10.5255 10.7213 10.7213 k = 0.0000 0.5000 0.2832 ( 3820 PWs) bands (ev): -7.5812 -7.5812 -7.5428 -7.5428 -3.6100 -3.6100 -3.4184 -3.4184 -2.9802 -2.9802 -2.8264 -2.8264 -2.7050 -2.7050 -1.7635 -1.7635 -1.6705 -1.6705 -1.4348 -1.4348 -1.3506 -1.3506 -1.3070 -1.3070 0.1472 0.1472 0.2121 0.2121 3.4711 3.4711 3.5810 3.5810 3.7450 3.7450 3.8737 3.8737 6.5587 6.5587 7.1752 7.1752 10.5524 10.5524 10.7093 10.7093 k = 0.0000 0.5000 0.2966 ( 3816 PWs) bands (ev): -7.5811 -7.5811 -7.5426 -7.5426 -3.6099 -3.6099 -3.4180 -3.4180 -2.9798 -2.9798 -2.8262 -2.8262 -2.7039 -2.7039 -1.7629 -1.7629 -1.6698 -1.6698 -1.4338 -1.4338 -1.3499 -1.3499 -1.3056 -1.3056 0.1298 0.1298 0.1947 0.1947 3.5039 3.5039 3.6051 3.6051 3.7613 3.7613 3.8841 3.8841 6.5138 6.5138 7.1316 7.1316 10.5754 10.5754 10.6979 10.6979 k = 0.0000 0.5000 0.3101 ( 3816 PWs) bands (ev): -7.5811 -7.5811 -7.5424 -7.5424 -3.6097 -3.6097 -3.4176 -3.4176 -2.9795 -2.9795 -2.8260 -2.8260 -2.7030 -2.7030 -1.7625 -1.7625 -1.6692 -1.6692 -1.4330 -1.4330 -1.3493 -1.3493 -1.3045 -1.3045 0.1161 0.1161 0.1810 0.1810 3.5283 3.5283 3.6227 3.6227 3.7766 3.7766 3.8940 3.8940 6.4777 6.4777 7.0967 7.0967 10.5936 10.5936 10.6893 10.6893 k = 0.0000 0.5000 0.3236 ( 3826 PWs) bands (ev): -7.5810 -7.5810 -7.5422 -7.5422 -3.6097 -3.6097 -3.4175 -3.4175 -2.9793 -2.9793 -2.8259 -2.8259 -2.7024 -2.7024 -1.7622 -1.7622 -1.6688 -1.6688 -1.4325 -1.4325 -1.3490 -1.3490 -1.3037 -1.3037 0.1063 0.1063 0.1712 0.1712 3.5446 3.5446 3.6347 3.6347 3.7891 3.7891 3.9023 3.9023 6.4512 6.4512 7.0713 7.0713 10.6062 10.6062 10.6839 10.6839 k = 0.0000 0.5000 0.3371 ( 3824 PWs) bands (ev): -7.5810 -7.5810 -7.5421 -7.5421 -3.6096 -3.6096 -3.4173 -3.4173 -2.9792 -2.9792 -2.8259 -2.8259 -2.7020 -2.7020 -1.7621 -1.7621 -1.6685 -1.6685 -1.4321 -1.4321 -1.3487 -1.3487 -1.3032 -1.3032 0.1004 0.1004 0.1653 0.1653 3.5539 3.5539 3.6418 3.6418 3.7972 3.7972 3.9079 3.9079 6.4350 6.4350 7.0558 7.0558 10.6133 10.6133 10.6813 10.6813 k = 0.0000 0.5000 0.3506 ( 3824 PWs) bands (ev): -7.5810 -7.5810 -7.5421 -7.5421 -3.6096 -3.6096 -3.4173 -3.4173 -2.9791 -2.9791 -2.8259 -2.8259 -2.7018 -2.7018 -1.7620 -1.7620 -1.6684 -1.6684 -1.4320 -1.4320 -1.3487 -1.3487 -1.3030 -1.3030 0.0984 0.0984 0.1633 0.1633 3.5569 3.5569 3.6441 3.6441 3.7999 3.7999 3.9098 3.9098 6.4295 6.4295 7.0506 7.0506 10.6155 10.6155 10.6806 10.6806 k = 0.5000 0.5000-0.0000 ( 3824 PWs) bands (ev): -7.4198 -7.4198 -7.4172 -7.4172 -3.5381 -3.5381 -3.3820 -3.3820 -2.9190 -2.9190 -2.7308 -2.7308 -2.6990 -2.6990 -1.7361 -1.7361 -1.6647 -1.6647 -1.4159 -1.4159 -1.3243 -1.3243 -1.3177 -1.3177 0.3670 0.3670 0.4176 0.4176 2.5704 2.5704 2.6184 2.6184 2.7502 2.7502 2.7542 2.7542 7.6123 7.6123 7.6344 7.6344 7.6616 7.6616 8.2553 8.2553 k = 0.5000 0.5000 0.0135 ( 3816 PWs) bands (ev): -7.4198 -7.4198 -7.4172 -7.4172 -3.5380 -3.5380 -3.3820 -3.3820 -2.9189 -2.9189 -2.7307 -2.7307 -2.6989 -2.6989 -1.7360 -1.7360 -1.6647 -1.6647 -1.4158 -1.4158 -1.3243 -1.3243 -1.3176 -1.3176 0.3671 0.3671 0.4181 0.4181 2.5687 2.5687 2.6174 2.6174 2.7480 2.7480 2.7533 2.7533 7.6157 7.6157 7.6389 7.6389 7.6663 7.6663 8.2595 8.2595 k = 0.5000 0.5000 0.0270 ( 3792 PWs) bands (ev): -7.4198 -7.4198 -7.4172 -7.4172 -3.5379 -3.5379 -3.3817 -3.3817 -2.9188 -2.9188 -2.7304 -2.7304 -2.6986 -2.6986 -1.7358 -1.7358 -1.6644 -1.6644 -1.4157 -1.4157 -1.3241 -1.3241 -1.3172 -1.3172 0.3674 0.3674 0.4198 0.4198 2.5637 2.5637 2.6143 2.6143 2.7420 2.7420 2.7502 2.7502 7.6262 7.6262 7.6525 7.6525 7.6803 7.6803 8.2720 8.2720 k = 0.5000 0.5000 0.0405 ( 3796 PWs) bands (ev): -7.4198 -7.4198 -7.4172 -7.4172 -3.5378 -3.5378 -3.3815 -3.3815 -2.9187 -2.9187 -2.7303 -2.7303 -2.6984 -2.6984 -1.7355 -1.7355 -1.6641 -1.6641 -1.4154 -1.4154 -1.3238 -1.3238 -1.3167 -1.3167 0.3679 0.3679 0.4225 0.4225 2.5556 2.5556 2.6091 2.6091 2.7328 2.7328 2.7442 2.7442 7.6434 7.6434 7.6751 7.6751 7.7036 7.7036 8.2926 8.2926 k = 0.5000 0.5000 0.0539 ( 3796 PWs) bands (ev): -7.4198 -7.4198 -7.4172 -7.4172 -3.5377 -3.5377 -3.3812 -3.3812 -2.9185 -2.9185 -2.7300 -2.7300 -2.6982 -2.6982 -1.7352 -1.7352 -1.6637 -1.6637 -1.4150 -1.4150 -1.3235 -1.3235 -1.3159 -1.3159 0.3686 0.3686 0.4263 0.4263 2.5445 2.5445 2.6019 2.6019 2.7207 2.7207 2.7355 2.7355 7.6673 7.6673 7.7066 7.7066 7.7359 7.7359 8.3212 8.3212 k = 0.5000 0.5000 0.0674 ( 3792 PWs) bands (ev): -7.4198 -7.4198 -7.4173 -7.4173 -3.5375 -3.5375 -3.3808 -3.3808 -2.9183 -2.9183 -2.7296 -2.7296 -2.6979 -2.6979 -1.7347 -1.7347 -1.6631 -1.6631 -1.4146 -1.4146 -1.3231 -1.3231 -1.3149 -1.3149 0.3696 0.3696 0.4310 0.4310 2.5306 2.5306 2.5927 2.5927 2.7061 2.7061 2.7241 2.7241 7.6976 7.6976 7.7469 7.7469 7.7771 7.7771 8.3575 8.3575 k = 0.5000 0.5000 0.0809 ( 3792 PWs) bands (ev): -7.4197 -7.4197 -7.4173 -7.4173 -3.5373 -3.5373 -3.3804 -3.3804 -2.9180 -2.9180 -2.7292 -2.7292 -2.6975 -2.6975 -1.7341 -1.7341 -1.6624 -1.6624 -1.4140 -1.4140 -1.3226 -1.3226 -1.3138 -1.3138 0.3709 0.3709 0.4365 0.4365 2.5143 2.5143 2.5817 2.5817 2.6891 2.6891 2.7104 2.7104 7.7342 7.7342 7.7956 7.7956 7.8268 7.8268 8.4013 8.4013 k = 0.5000 0.5000 0.0944 ( 3824 PWs) bands (ev): -7.4197 -7.4197 -7.4173 -7.4173 -3.5374 -3.5374 -3.3801 -3.3801 -2.9180 -2.9180 -2.7289 -2.7289 -2.6973 -2.6973 -1.7336 -1.7336 -1.6617 -1.6617 -1.4135 -1.4135 -1.3221 -1.3221 -1.3125 -1.3125 0.3725 0.3725 0.4428 0.4428 2.4958 2.4958 2.5690 2.5690 2.6701 2.6701 2.6944 2.6944 7.7765 7.7765 7.8527 7.8527 7.8849 7.8849 8.4522 8.4522 k = 0.5000 0.5000 0.1079 ( 3832 PWs) bands (ev): -7.4197 -7.4197 -7.4173 -7.4173 -3.5371 -3.5371 -3.3797 -3.3797 -2.9176 -2.9176 -2.7285 -2.7285 -2.6969 -2.6969 -1.7329 -1.7329 -1.6609 -1.6609 -1.4128 -1.4128 -1.3214 -1.3214 -1.3110 -1.3110 0.3744 0.3744 0.4498 0.4498 2.4754 2.4754 2.5547 2.5547 2.6494 2.6494 2.6766 2.6766 7.8242 7.8242 7.9178 7.9178 7.9509 7.9509 8.5097 8.5097 k = 0.5000 0.5000 0.1214 ( 3832 PWs) bands (ev): -7.4197 -7.4197 -7.4174 -7.4174 -3.5369 -3.5369 -3.3791 -3.3791 -2.9172 -2.9172 -2.7279 -2.7279 -2.6964 -2.6964 -1.7321 -1.7321 -1.6600 -1.6600 -1.4120 -1.4120 -1.3207 -1.3207 -1.3094 -1.3094 0.3766 0.3766 0.4575 0.4575 2.4534 2.4534 2.5392 2.5392 2.6274 2.6274 2.6572 2.6572 7.8769 7.8769 7.9905 7.9905 8.0245 8.0245 8.5733 8.5733 k = 0.5000 0.5000 0.1348 ( 3832 PWs) bands (ev): -7.4197 -7.4197 -7.4174 -7.4174 -3.5366 -3.5366 -3.3785 -3.3785 -2.9168 -2.9168 -2.7274 -2.7274 -2.6959 -2.6959 -1.7313 -1.7313 -1.6590 -1.6590 -1.4111 -1.4111 -1.3199 -1.3199 -1.3077 -1.3077 0.3791 0.3791 0.4656 0.4656 2.4301 2.4301 2.5226 2.5226 2.6045 2.6045 2.6366 2.6366 7.9340 7.9340 8.0707 8.0707 8.1054 8.1054 8.6426 8.6426 k = 0.5000 0.5000 0.1483 ( 3820 PWs) bands (ev): -7.4197 -7.4197 -7.4174 -7.4174 -3.5363 -3.5363 -3.3778 -3.3778 -2.9164 -2.9164 -2.7266 -2.7266 -2.6953 -2.6953 -1.7304 -1.7304 -1.6580 -1.6580 -1.4103 -1.4103 -1.3191 -1.3191 -1.3059 -1.3059 0.3819 0.3819 0.4743 0.4743 2.4058 2.4058 2.5052 2.5052 2.5810 2.5810 2.6150 2.6150 7.9950 7.9950 8.1578 8.1578 8.1931 8.1931 8.7169 8.7169 k = 0.5000 0.5000 0.1618 ( 3812 PWs) bands (ev): -7.4197 -7.4197 -7.4174 -7.4174 -3.5360 -3.5360 -3.3771 -3.3771 -2.9159 -2.9159 -2.7259 -2.7259 -2.6946 -2.6946 -1.7295 -1.7295 -1.6569 -1.6569 -1.4094 -1.4094 -1.3182 -1.3182 -1.3039 -1.3039 0.3849 0.3849 0.4832 0.4832 2.3809 2.3809 2.4872 2.4872 2.5574 2.5574 2.5929 2.5929 8.0593 8.0593 8.2516 8.2516 8.2872 8.2872 8.7956 8.7956 k = 0.5000 0.5000 0.1753 ( 3808 PWs) bands (ev): -7.4196 -7.4196 -7.4175 -7.4175 -3.5356 -3.5356 -3.3764 -3.3764 -2.9155 -2.9155 -2.7253 -2.7253 -2.6941 -2.6941 -1.7286 -1.7286 -1.6558 -1.6558 -1.4085 -1.4085 -1.3173 -1.3173 -1.3020 -1.3020 0.3880 0.3880 0.4925 0.4925 2.3557 2.3557 2.4690 2.4690 2.5341 2.5341 2.5706 2.5706 8.1260 8.1260 8.3515 8.3515 8.3873 8.3873 8.8780 8.8780 k = 0.5000 0.5000 0.1888 ( 3808 PWs) bands (ev): -7.4196 -7.4196 -7.4175 -7.4175 -3.5353 -3.5353 -3.3758 -3.3758 -2.9150 -2.9150 -2.7247 -2.7247 -2.6935 -2.6935 -1.7276 -1.7276 -1.6548 -1.6548 -1.4075 -1.4075 -1.3164 -1.3164 -1.3001 -1.3001 0.3913 0.3913 0.5018 0.5018 2.3304 2.3304 2.4507 2.4507 2.5114 2.5114 2.5483 2.5483 8.1946 8.1946 8.4572 8.4572 8.4929 8.4929 8.9634 8.9634 k = 0.5000 0.5000 0.2023 ( 3800 PWs) bands (ev): -7.4196 -7.4196 -7.4175 -7.4175 -3.5350 -3.5350 -3.3752 -3.3752 -2.9145 -2.9145 -2.7240 -2.7240 -2.6929 -2.6929 -1.7267 -1.7267 -1.6537 -1.6537 -1.4066 -1.4066 -1.3154 -1.3154 -1.2981 -1.2981 0.3946 0.3946 0.5112 0.5112 2.3055 2.3055 2.4325 2.4325 2.4898 2.4898 2.5264 2.5264 8.2641 8.2641 8.5682 8.5682 8.6035 8.6035 9.0508 9.0508 k = 0.5000 0.5000 0.2157 ( 3800 PWs) bands (ev): -7.4196 -7.4196 -7.4176 -7.4176 -3.5347 -3.5347 -3.3746 -3.3746 -2.9141 -2.9141 -2.7234 -2.7234 -2.6924 -2.6924 -1.7259 -1.7259 -1.6527 -1.6527 -1.4058 -1.4058 -1.3146 -1.3146 -1.2963 -1.2963 0.3980 0.3980 0.5204 0.5204 2.2812 2.2812 2.4148 2.4148 2.4694 2.4694 2.5051 2.5051 8.3337 8.3337 8.6839 8.6839 8.7185 8.7185 9.1393 9.1393 k = 0.5000 0.5000 0.2292 ( 3800 PWs) bands (ev): -7.4195 -7.4195 -7.4176 -7.4176 -3.5344 -3.5344 -3.3740 -3.3740 -2.9137 -2.9137 -2.7228 -2.7228 -2.6919 -2.6919 -1.7250 -1.7250 -1.6518 -1.6518 -1.4049 -1.4049 -1.3137 -1.3137 -1.2945 -1.2945 0.4013 0.4013 0.5294 0.5294 2.2579 2.2579 2.3977 2.3977 2.4507 2.4507 2.4848 2.4848 8.4023 8.4023 8.8036 8.8036 8.8371 8.8371 9.2278 9.2278 k = 0.5000 0.5000 0.2427 ( 3800 PWs) bands (ev): -7.4195 -7.4195 -7.4176 -7.4176 -3.5341 -3.5341 -3.3734 -3.3734 -2.9133 -2.9133 -2.7222 -2.7222 -2.6914 -2.6914 -1.7243 -1.7243 -1.6508 -1.6508 -1.4041 -1.4041 -1.3129 -1.3129 -1.2928 -1.2928 0.4044 0.4044 0.5380 0.5380 2.2360 2.2360 2.3816 2.3816 2.4338 2.4338 2.4657 2.4657 8.4688 8.4688 8.9266 8.9266 8.9585 8.9585 9.3151 9.3151 k = 0.5000 0.5000 0.2562 ( 3808 PWs) bands (ev): -7.4195 -7.4195 -7.4177 -7.4177 -3.5339 -3.5339 -3.3730 -3.3730 -2.9129 -2.9129 -2.7218 -2.7218 -2.6911 -2.6911 -1.7236 -1.7236 -1.6500 -1.6500 -1.4034 -1.4034 -1.3122 -1.3122 -1.2912 -1.2912 0.4074 0.4074 0.5460 0.5460 2.2157 2.2157 2.3666 2.3666 2.4189 2.4189 2.4480 2.4480 8.5320 8.5320 9.0517 9.0517 9.0814 9.0814 9.3997 9.3997 k = 0.5000 0.5000 0.2697 ( 3808 PWs) bands (ev): -7.4195 -7.4195 -7.4177 -7.4177 -3.5337 -3.5337 -3.3726 -3.3726 -2.9126 -2.9126 -2.7214 -2.7214 -2.6907 -2.6907 -1.7229 -1.7229 -1.6493 -1.6493 -1.4028 -1.4028 -1.3115 -1.3115 -1.2898 -1.2898 0.4101 0.4101 0.5533 0.5533 2.1974 2.1974 2.3531 2.3531 2.4060 2.4060 2.4319 2.4319 8.5908 8.5908 9.1775 9.1775 9.2045 9.2045 9.4802 9.4802 k = 0.5000 0.5000 0.2832 ( 3808 PWs) bands (ev): -7.4195 -7.4195 -7.4177 -7.4177 -3.5335 -3.5335 -3.3722 -3.3722 -2.9123 -2.9123 -2.7210 -2.7210 -2.6904 -2.6904 -1.7224 -1.7224 -1.6486 -1.6486 -1.4022 -1.4022 -1.3109 -1.3109 -1.2886 -1.2886 0.4126 0.4126 0.5598 0.5598 2.1814 2.1814 2.3412 2.3412 2.3954 2.3954 2.4176 2.4176 8.6436 8.6436 9.3017 9.3017 9.3252 9.3252 9.5547 9.5547 k = 0.5000 0.5000 0.2966 ( 3800 PWs) bands (ev): -7.4194 -7.4194 -7.4177 -7.4177 -3.5332 -3.5332 -3.3718 -3.3718 -2.9120 -2.9120 -2.7206 -2.7206 -2.6901 -2.6901 -1.7219 -1.7219 -1.6481 -1.6481 -1.4017 -1.4017 -1.3104 -1.3104 -1.2875 -1.2875 0.4146 0.4146 0.5654 0.5654 2.1678 2.1678 2.3312 2.3312 2.3871 2.3871 2.4053 2.4053 8.6892 8.6892 9.4206 9.4206 9.4404 9.4404 9.6216 9.6216 k = 0.5000 0.5000 0.3101 ( 3800 PWs) bands (ev): -7.4194 -7.4194 -7.4178 -7.4178 -3.5331 -3.5331 -3.3716 -3.3716 -2.9118 -2.9118 -2.7204 -2.7204 -2.6898 -2.6898 -1.7215 -1.7215 -1.6477 -1.6477 -1.4013 -1.4013 -1.3100 -1.3100 -1.2867 -1.2867 0.4163 0.4163 0.5698 0.5698 2.1571 2.1571 2.3232 2.3232 2.3811 2.3811 2.3950 2.3950 8.7264 8.7264 9.5282 9.5282 9.5448 9.5448 9.6800 9.6800 k = 0.5000 0.5000 0.3236 ( 3792 PWs) bands (ev): -7.4194 -7.4194 -7.4178 -7.4178 -3.5330 -3.5330 -3.3713 -3.3713 -2.9116 -2.9116 -2.7201 -2.7201 -2.6896 -2.6896 -1.7212 -1.7212 -1.6473 -1.6473 -1.4010 -1.4010 -1.3097 -1.3097 -1.2860 -1.2860 0.4175 0.4175 0.5731 0.5731 2.1492 2.1492 2.3175 2.3175 2.3774 2.3774 2.3870 2.3870 8.7538 8.7538 9.6145 9.6145 9.6309 9.6309 9.7293 9.7293 k = 0.5000 0.5000 0.3371 ( 3792 PWs) bands (ev): -7.4194 -7.4194 -7.4178 -7.4178 -3.5329 -3.5329 -3.3712 -3.3712 -2.9116 -2.9116 -2.7200 -2.7200 -2.6895 -2.6895 -1.7210 -1.7210 -1.6471 -1.6471 -1.4009 -1.4009 -1.3095 -1.3095 -1.2857 -1.2857 0.4182 0.4182 0.5750 0.5750 2.1445 2.1445 2.3139 2.3139 2.3760 2.3760 2.3814 2.3814 8.7707 8.7707 9.6678 9.6678 9.6895 9.6895 9.7673 9.7673 k = 0.5000 0.5000 0.3506 ( 3792 PWs) bands (ev): -7.4194 -7.4194 -7.4178 -7.4178 -3.5329 -3.5329 -3.3712 -3.3712 -2.9115 -2.9115 -2.7200 -2.7200 -2.6894 -2.6894 -1.7210 -1.7210 -1.6471 -1.6471 -1.4008 -1.4008 -1.3094 -1.3094 -1.2855 -1.2855 0.4184 0.4184 0.5757 0.5757 2.1429 2.1429 2.3128 2.3128 2.3761 2.3761 2.3789 2.3789 8.7764 8.7764 9.6849 9.6849 9.7106 9.7106 9.7827 9.7827 Writing output data file ZnCdSe2.save init_run : 3.48s CPU 12.93s WALL ( 1 calls) electrons : 425.74s CPU 432.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 425.65s CPU 432.21s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.87s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.55s WALL ( 1 calls) newd : 0.44s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 341 calls) cegterg : 385.73s CPU 389.13s WALL ( 595 calls) Called by sum_band: Called by *egterg: h_psi : 190.68s CPU 196.30s WALL ( 9685 calls) s_psi : 11.82s CPU 12.42s WALL ( 9685 calls) g_psi : 0.45s CPU 0.55s WALL ( 8749 calls) cdiaghg : 134.23s CPU 132.34s WALL ( 9090 calls) cegterg:over : 33.86s CPU 31.83s WALL ( 8749 calls) cegterg:upda : 5.92s CPU 8.60s WALL ( 8749 calls) cegterg:last : 5.26s CPU 5.91s WALL ( 1619 calls) Called by h_psi: h_psi:vloc : 165.27s CPU 170.15s WALL ( 9685 calls) h_psi:vnl : 25.22s CPU 25.65s WALL ( 9685 calls) add_vuspsi : 6.58s CPU 9.56s WALL ( 9685 calls) General routines calbec : 18.60s CPU 16.01s WALL ( 9685 calls) fft : 0.22s CPU 1.52s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 153.01s CPU 155.41s WALL ( 934484 calls) interpolate : 0.08s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 1.79s WALL ( 682 calls) Parallel routines fft_scatter : 97.02s CPU 97.73s WALL ( 934507 calls) PWSCF : 8m 4.93s CPU 9m 8.58s WALL This run was terminated on: 16:22: 6 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=