Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 2:17 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KNiIO6.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 31 8 2334 1025 156 Max 55 32 9 2339 1046 165 Sum 1945 1135 313 84101 37207 5823 bravais-lattice index = 14 lattice parameter (alat) = 9.3296 a.u. unit-cell volume = 854.6822 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 4 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.329577 celldm(2)= 1.000000 celldm(3)= 1.215313 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.215313 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.822833 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) Ni 10.00 58.69340 Ni( 1.00) I 7.00 126.90450 I( 1.00) 6 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 [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0034014 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0034014 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0034014 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0034014 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0034014 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0034014 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0034014 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0034014 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0034014 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0034014 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0034014 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0034014 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0034014 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0034014 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0034014 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0034014 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0034014 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0034014 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0034014 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0034014 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0034014 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0034014 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0034014 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0034014 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0034014 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0034014 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0034014 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0034014 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0034014 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0034014 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0034014 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0034014 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0034014 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0034014 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0034014 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0034014 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034014 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034014 k( 40) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0034014 k( 41) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0034014 k( 42) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0034014 k( 43) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0034014 k( 44) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0034014 k( 45) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0034014 k( 46) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0034014 k( 47) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0034014 k( 48) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0034014 k( 49) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0034014 k( 50) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034014 k( 51) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0034014 k( 52) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0034014 k( 53) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0034014 k( 54) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0034014 k( 55) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0034014 k( 56) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0034014 k( 57) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0034014 k( 58) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0034014 k( 59) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0034014 k( 60) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0034014 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034014 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034014 k( 63) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0034014 k( 64) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0034014 k( 65) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0034014 k( 66) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0034014 k( 67) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0034014 k( 68) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0034014 k( 69) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0034014 k( 70) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0034014 k( 71) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0034014 k( 72) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0034014 k( 73) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0034014 k( 74) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0034014 k( 75) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0034014 k( 76) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0034014 k( 77) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0034014 k( 78) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0034014 k( 79) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0034014 k( 80) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0034014 k( 81) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0034014 k( 82) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0034014 k( 83) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0034014 k( 84) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0034014 k( 85) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0034014 k( 86) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0034014 k( 87) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0034014 k( 88) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0034014 k( 89) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0034014 k( 90) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0034014 k( 91) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0034014 k( 92) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0034014 k( 93) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0034014 k( 94) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0034014 k( 95) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0034014 k( 96) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0034014 k( 97) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0034014 k( 98) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0034014 k( 99) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0034014 k( 100) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0034014 k( 101) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0034014 k( 102) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0034014 k( 103) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0034014 k( 104) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0034014 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 107) = ( 0.0000000 0.0000000 0.0152377), wk = 0.0034014 k( 108) = ( 0.0000000 0.0000000 0.0304753), wk = 0.0034014 k( 109) = ( 0.0000000 0.0000000 0.0457130), wk = 0.0034014 k( 110) = ( 0.0000000 0.0000000 0.0609506), wk = 0.0034014 k( 111) = ( 0.0000000 0.0000000 0.0761883), wk = 0.0034014 k( 112) = ( 0.0000000 0.0000000 0.0914259), wk = 0.0034014 k( 113) = ( 0.0000000 0.0000000 0.1066636), wk = 0.0034014 k( 114) = ( 0.0000000 0.0000000 0.1219012), wk = 0.0034014 k( 115) = ( 0.0000000 0.0000000 0.1371389), wk = 0.0034014 k( 116) = ( 0.0000000 0.0000000 0.1523765), wk = 0.0034014 k( 117) = ( 0.0000000 0.0000000 0.1676142), wk = 0.0034014 k( 118) = ( 0.0000000 0.0000000 0.1828519), wk = 0.0034014 k( 119) = ( 0.0000000 0.0000000 0.1980895), wk = 0.0034014 k( 120) = ( 0.0000000 0.0000000 0.2133272), wk = 0.0034014 k( 121) = ( 0.0000000 0.0000000 0.2285648), wk = 0.0034014 k( 122) = ( 0.0000000 0.0000000 0.2438025), wk = 0.0034014 k( 123) = ( 0.0000000 0.0000000 0.2590401), wk = 0.0034014 k( 124) = ( 0.0000000 0.0000000 0.2742778), wk = 0.0034014 k( 125) = ( 0.0000000 0.0000000 0.2895154), wk = 0.0034014 k( 126) = ( 0.0000000 0.0000000 0.3047531), wk = 0.0034014 k( 127) = ( 0.0000000 0.0000000 0.3199907), wk = 0.0034014 k( 128) = ( 0.0000000 0.0000000 0.3352284), wk = 0.0034014 k( 129) = ( 0.0000000 0.0000000 0.3504661), wk = 0.0034014 k( 130) = ( 0.0000000 0.0000000 0.3657037), wk = 0.0034014 k( 131) = ( 0.0000000 0.0000000 0.3809414), wk = 0.0034014 k( 132) = ( 0.0000000 0.0000000 0.3961790), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.4114167), wk = 0.0034014 k( 134) = ( 0.0000000 0.0000000 0.4114167), wk = 0.0034014 k( 135) = ( 0.0135135 0.0078020 0.4114167), wk = 0.0034014 k( 136) = ( 0.0270270 0.0156041 0.4114167), wk = 0.0034014 k( 137) = ( 0.0405405 0.0234061 0.4114167), wk = 0.0034014 k( 138) = ( 0.0540540 0.0312081 0.4114167), wk = 0.0034014 k( 139) = ( 0.0675676 0.0390102 0.4114167), wk = 0.0034014 k( 140) = ( 0.0810811 0.0468122 0.4114167), wk = 0.0034014 k( 141) = ( 0.0945946 0.0546142 0.4114167), wk = 0.0034014 k( 142) = ( 0.1081081 0.0624162 0.4114167), wk = 0.0034014 k( 143) = ( 0.1216216 0.0702183 0.4114167), wk = 0.0034014 k( 144) = ( 0.1351351 0.0780203 0.4114167), wk = 0.0034014 k( 145) = ( 0.1486486 0.0858223 0.4114167), wk = 0.0034014 k( 146) = ( 0.1621622 0.0936244 0.4114167), wk = 0.0034014 k( 147) = ( 0.1756757 0.1014264 0.4114167), wk = 0.0034014 k( 148) = ( 0.1891892 0.1092284 0.4114167), wk = 0.0034014 k( 149) = ( 0.2027027 0.1170305 0.4114167), wk = 0.0034014 k( 150) = ( 0.2162162 0.1248325 0.4114167), wk = 0.0034014 k( 151) = ( 0.2297297 0.1326345 0.4114167), wk = 0.0034014 k( 152) = ( 0.2432432 0.1404366 0.4114167), wk = 0.0034014 k( 153) = ( 0.2567568 0.1482386 0.4114167), wk = 0.0034014 k( 154) = ( 0.2702703 0.1560406 0.4114167), wk = 0.0034014 k( 155) = ( 0.2837838 0.1638426 0.4114167), wk = 0.0034014 k( 156) = ( 0.2972973 0.1716447 0.4114167), wk = 0.0034014 k( 157) = ( 0.3108108 0.1794467 0.4114167), wk = 0.0034014 k( 158) = ( 0.3243243 0.1872487 0.4114167), wk = 0.0034014 k( 159) = ( 0.3378378 0.1950508 0.4114167), wk = 0.0034014 k( 160) = ( 0.3513514 0.2028528 0.4114167), wk = 0.0034014 k( 161) = ( 0.3648649 0.2106548 0.4114167), wk = 0.0034014 k( 162) = ( 0.3783784 0.2184569 0.4114167), wk = 0.0034014 k( 163) = ( 0.3918919 0.2262589 0.4114167), wk = 0.0034014 k( 164) = ( 0.4054054 0.2340609 0.4114167), wk = 0.0034014 k( 165) = ( 0.4189189 0.2418630 0.4114167), wk = 0.0034014 k( 166) = ( 0.4324324 0.2496650 0.4114167), wk = 0.0034014 k( 167) = ( 0.4459459 0.2574670 0.4114167), wk = 0.0034014 k( 168) = ( 0.4594595 0.2652690 0.4114167), wk = 0.0034014 k( 169) = ( 0.4729730 0.2730711 0.4114167), wk = 0.0034014 k( 170) = ( 0.4864865 0.2808731 0.4114167), wk = 0.0034014 k( 171) = ( 0.5000000 0.2886751 0.4114167), wk = 0.0034014 k( 172) = ( 0.5000000 0.2886751 0.4114167), wk = 0.0034014 k( 173) = ( 0.4924242 0.3017967 0.4114167), wk = 0.0034014 k( 174) = ( 0.4848485 0.3149183 0.4114167), wk = 0.0034014 k( 175) = ( 0.4772727 0.3280399 0.4114167), wk = 0.0034014 k( 176) = ( 0.4696970 0.3411615 0.4114167), wk = 0.0034014 k( 177) = ( 0.4621212 0.3542831 0.4114167), wk = 0.0034014 k( 178) = ( 0.4545455 0.3674047 0.4114167), wk = 0.0034014 k( 179) = ( 0.4469697 0.3805263 0.4114167), wk = 0.0034014 k( 180) = ( 0.4393939 0.3936479 0.4114167), wk = 0.0034014 k( 181) = ( 0.4318182 0.4067695 0.4114167), wk = 0.0034014 k( 182) = ( 0.4242424 0.4198911 0.4114167), wk = 0.0034014 k( 183) = ( 0.4166667 0.4330127 0.4114167), wk = 0.0034014 k( 184) = ( 0.4090909 0.4461343 0.4114167), wk = 0.0034014 k( 185) = ( 0.4015151 0.4592559 0.4114167), wk = 0.0034014 k( 186) = ( 0.3939394 0.4723775 0.4114167), wk = 0.0034014 k( 187) = ( 0.3863636 0.4854991 0.4114167), wk = 0.0034014 k( 188) = ( 0.3787879 0.4986207 0.4114167), wk = 0.0034014 k( 189) = ( 0.3712121 0.5117423 0.4114167), wk = 0.0034014 k( 190) = ( 0.3636364 0.5248639 0.4114167), wk = 0.0034014 k( 191) = ( 0.3560606 0.5379855 0.4114167), wk = 0.0034014 k( 192) = ( 0.3484849 0.5511071 0.4114167), wk = 0.0034014 k( 193) = ( 0.3409091 0.5642287 0.4114167), wk = 0.0034014 k( 194) = ( 0.3333333 0.5773503 0.4114167), wk = 0.0034014 k( 195) = ( 0.3333333 0.5773503 0.4114167), wk = 0.0034014 k( 196) = ( 0.3255814 0.5639235 0.4114167), wk = 0.0034014 k( 197) = ( 0.3178295 0.5504968 0.4114167), wk = 0.0034014 k( 198) = ( 0.3100775 0.5370700 0.4114167), wk = 0.0034014 k( 199) = ( 0.3023256 0.5236433 0.4114167), wk = 0.0034014 k( 200) = ( 0.2945736 0.5102165 0.4114167), wk = 0.0034014 k( 201) = ( 0.2868217 0.4967898 0.4114167), wk = 0.0034014 k( 202) = ( 0.2790698 0.4833630 0.4114167), wk = 0.0034014 k( 203) = ( 0.2713178 0.4699363 0.4114167), wk = 0.0034014 k( 204) = ( 0.2635659 0.4565095 0.4114167), wk = 0.0034014 k( 205) = ( 0.2558140 0.4430828 0.4114167), wk = 0.0034014 k( 206) = ( 0.2480620 0.4296560 0.4114167), wk = 0.0034014 k( 207) = ( 0.2403101 0.4162293 0.4114167), wk = 0.0034014 k( 208) = ( 0.2325581 0.4028025 0.4114167), wk = 0.0034014 k( 209) = ( 0.2248062 0.3893758 0.4114167), wk = 0.0034014 k( 210) = ( 0.2170543 0.3759490 0.4114167), wk = 0.0034014 k( 211) = ( 0.2093023 0.3625223 0.4114167), wk = 0.0034014 k( 212) = ( 0.2015504 0.3490955 0.4114167), wk = 0.0034014 k( 213) = ( 0.1937985 0.3356688 0.4114167), wk = 0.0034014 k( 214) = ( 0.1860465 0.3222420 0.4114167), wk = 0.0034014 k( 215) = ( 0.1782946 0.3088153 0.4114167), wk = 0.0034014 k( 216) = ( 0.1705426 0.2953885 0.4114167), wk = 0.0034014 k( 217) = ( 0.1627907 0.2819618 0.4114167), wk = 0.0034014 k( 218) = ( 0.1550388 0.2685350 0.4114167), wk = 0.0034014 k( 219) = ( 0.1472868 0.2551083 0.4114167), wk = 0.0034014 k( 220) = ( 0.1395349 0.2416815 0.4114167), wk = 0.0034014 k( 221) = ( 0.1317830 0.2282548 0.4114167), wk = 0.0034014 k( 222) = ( 0.1240310 0.2148280 0.4114167), wk = 0.0034014 k( 223) = ( 0.1162791 0.2014013 0.4114167), wk = 0.0034014 k( 224) = ( 0.1085271 0.1879745 0.4114167), wk = 0.0034014 k( 225) = ( 0.1007752 0.1745477 0.4114167), wk = 0.0034014 k( 226) = ( 0.0930233 0.1611210 0.4114167), wk = 0.0034014 k( 227) = ( 0.0852713 0.1476943 0.4114167), wk = 0.0034014 k( 228) = ( 0.0775194 0.1342675 0.4114167), wk = 0.0034014 k( 229) = ( 0.0697674 0.1208408 0.4114167), wk = 0.0034014 k( 230) = ( 0.0620155 0.1074140 0.4114167), wk = 0.0034014 k( 231) = ( 0.0542636 0.0939873 0.4114167), wk = 0.0034014 k( 232) = ( 0.0465116 0.0805605 0.4114167), wk = 0.0034014 k( 233) = ( 0.0387597 0.0671338 0.4114167), wk = 0.0034014 k( 234) = ( 0.0310078 0.0537070 0.4114167), wk = 0.0034014 k( 235) = ( 0.0232558 0.0402802 0.4114167), wk = 0.0034014 k( 236) = ( 0.0155039 0.0268535 0.4114167), wk = 0.0034014 k( 237) = ( 0.0077519 0.0134268 0.4114167), wk = 0.0034014 k( 238) = ( 0.0000000 0.0000000 0.4114167), wk = 0.0034014 k( 239) = ( 0.5000000 0.2886751 0.4114167), wk = 0.0034014 k( 240) = ( 0.5000000 0.2886751 0.3961790), wk = 0.0034014 k( 241) = ( 0.5000000 0.2886751 0.3809414), wk = 0.0034014 k( 242) = ( 0.5000000 0.2886751 0.3657037), wk = 0.0034014 k( 243) = ( 0.5000000 0.2886751 0.3504661), wk = 0.0034014 k( 244) = ( 0.5000000 0.2886751 0.3352284), wk = 0.0034014 k( 245) = ( 0.5000000 0.2886751 0.3199907), wk = 0.0034014 k( 246) = ( 0.5000000 0.2886751 0.3047531), wk = 0.0034014 k( 247) = ( 0.5000000 0.2886751 0.2895154), wk = 0.0034014 k( 248) = ( 0.5000000 0.2886751 0.2742778), wk = 0.0034014 k( 249) = ( 0.5000000 0.2886751 0.2590401), wk = 0.0034014 k( 250) = ( 0.5000000 0.2886751 0.2438025), wk = 0.0034014 k( 251) = ( 0.5000000 0.2886751 0.2285648), wk = 0.0034014 k( 252) = ( 0.5000000 0.2886751 0.2133272), wk = 0.0034014 k( 253) = ( 0.5000000 0.2886751 0.1980895), wk = 0.0034014 k( 254) = ( 0.5000000 0.2886751 0.1828519), wk = 0.0034014 k( 255) = ( 0.5000000 0.2886751 0.1676142), wk = 0.0034014 k( 256) = ( 0.5000000 0.2886751 0.1523765), wk = 0.0034014 k( 257) = ( 0.5000000 0.2886751 0.1371389), wk = 0.0034014 k( 258) = ( 0.5000000 0.2886751 0.1219012), wk = 0.0034014 k( 259) = ( 0.5000000 0.2886751 0.1066636), wk = 0.0034014 k( 260) = ( 0.5000000 0.2886751 0.0914259), wk = 0.0034014 k( 261) = ( 0.5000000 0.2886751 0.0761883), wk = 0.0034014 k( 262) = ( 0.5000000 0.2886751 0.0609506), wk = 0.0034014 k( 263) = ( 0.5000000 0.2886751 0.0457130), wk = 0.0034014 k( 264) = ( 0.5000000 0.2886751 0.0304753), wk = 0.0034014 k( 265) = ( 0.5000000 0.2886751 0.0152377), wk = 0.0034014 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034014 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034014 k( 268) = ( 0.3333333 0.5773503 0.0152377), wk = 0.0034014 k( 269) = ( 0.3333333 0.5773503 0.0304753), wk = 0.0034014 k( 270) = ( 0.3333333 0.5773503 0.0457130), wk = 0.0034014 k( 271) = ( 0.3333333 0.5773503 0.0609506), wk = 0.0034014 k( 272) = ( 0.3333333 0.5773503 0.0761883), wk = 0.0034014 k( 273) = ( 0.3333333 0.5773503 0.0914259), wk = 0.0034014 k( 274) = ( 0.3333333 0.5773503 0.1066636), wk = 0.0034014 k( 275) = ( 0.3333333 0.5773503 0.1219012), wk = 0.0034014 k( 276) = ( 0.3333333 0.5773503 0.1371389), wk = 0.0034014 k( 277) = ( 0.3333333 0.5773503 0.1523765), wk = 0.0034014 k( 278) = ( 0.3333333 0.5773503 0.1676142), wk = 0.0034014 k( 279) = ( 0.3333333 0.5773503 0.1828519), wk = 0.0034014 k( 280) = ( 0.3333333 0.5773503 0.1980895), wk = 0.0034014 k( 281) = ( 0.3333333 0.5773503 0.2133272), wk = 0.0034014 k( 282) = ( 0.3333333 0.5773503 0.2285648), wk = 0.0034014 k( 283) = ( 0.3333333 0.5773503 0.2438025), wk = 0.0034014 k( 284) = ( 0.3333333 0.5773503 0.2590401), wk = 0.0034014 k( 285) = ( 0.3333333 0.5773503 0.2742778), wk = 0.0034014 k( 286) = ( 0.3333333 0.5773503 0.2895154), wk = 0.0034014 k( 287) = ( 0.3333333 0.5773503 0.3047531), wk = 0.0034014 k( 288) = ( 0.3333333 0.5773503 0.3199907), wk = 0.0034014 k( 289) = ( 0.3333333 0.5773503 0.3352284), wk = 0.0034014 k( 290) = ( 0.3333333 0.5773503 0.3504661), wk = 0.0034014 k( 291) = ( 0.3333333 0.5773503 0.3657037), wk = 0.0034014 k( 292) = ( 0.3333333 0.5773503 0.3809414), wk = 0.0034014 k( 293) = ( 0.3333333 0.5773503 0.3961790), wk = 0.0034014 k( 294) = ( 0.3333333 0.5773503 0.4114167), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0135135 -0.0000000 -0.0000000), wk = 0.0034014 k( 3) = ( 0.0270270 -0.0000000 -0.0000000), wk = 0.0034014 k( 4) = ( 0.0405405 -0.0000000 -0.0000000), wk = 0.0034014 k( 5) = ( 0.0540540 -0.0000000 -0.0000000), wk = 0.0034014 k( 6) = ( 0.0675676 -0.0000000 -0.0000000), wk = 0.0034014 k( 7) = ( 0.0810811 -0.0000000 -0.0000000), wk = 0.0034014 k( 8) = ( 0.0945946 -0.0000000 0.0000000), wk = 0.0034014 k( 9) = ( 0.1081081 -0.0000000 -0.0000000), wk = 0.0034014 k( 10) = ( 0.1216216 -0.0000000 -0.0000000), wk = 0.0034014 k( 11) = ( 0.1351351 -0.0000000 -0.0000000), wk = 0.0034014 k( 12) = ( 0.1486486 -0.0000000 -0.0000000), wk = 0.0034014 k( 13) = ( 0.1621622 -0.0000000 -0.0000000), wk = 0.0034014 k( 14) = ( 0.1756757 -0.0000000 -0.0000000), wk = 0.0034014 k( 15) = ( 0.1891892 -0.0000000 -0.0000000), wk = 0.0034014 k( 16) = ( 0.2027027 -0.0000000 -0.0000000), wk = 0.0034014 k( 17) = ( 0.2162162 -0.0000000 -0.0000000), wk = 0.0034014 k( 18) = ( 0.2297297 -0.0000000 0.0000000), wk = 0.0034014 k( 19) = ( 0.2432432 -0.0000000 -0.0000000), wk = 0.0034014 k( 20) = ( 0.2567568 -0.0000000 0.0000000), wk = 0.0034014 k( 21) = ( 0.2702703 -0.0000000 -0.0000000), wk = 0.0034014 k( 22) = ( 0.2837838 -0.0000000 0.0000000), wk = 0.0034014 k( 23) = ( 0.2972973 -0.0000000 -0.0000000), wk = 0.0034014 k( 24) = ( 0.3108108 -0.0000000 -0.0000000), wk = 0.0034014 k( 25) = ( 0.3243243 -0.0000000 -0.0000000), wk = 0.0034014 k( 26) = ( 0.3378378 -0.0000000 0.0000000), wk = 0.0034014 k( 27) = ( 0.3513514 -0.0000000 0.0000000), wk = 0.0034014 k( 28) = ( 0.3648649 -0.0000000 -0.0000000), wk = 0.0034014 k( 29) = ( 0.3783784 -0.0000000 -0.0000000), wk = 0.0034014 k( 30) = ( 0.3918919 -0.0000000 -0.0000000), wk = 0.0034014 k( 31) = ( 0.4054054 -0.0000000 -0.0000000), wk = 0.0034014 k( 32) = ( 0.4189189 -0.0000000 -0.0000000), wk = 0.0034014 k( 33) = ( 0.4324324 -0.0000000 -0.0000000), wk = 0.0034014 k( 34) = ( 0.4459459 -0.0000000 -0.0000000), wk = 0.0034014 k( 35) = ( 0.4594595 -0.0000000 0.0000000), wk = 0.0034014 k( 36) = ( 0.4729730 -0.0000000 0.0000000), wk = 0.0034014 k( 37) = ( 0.4864865 -0.0000000 -0.0000000), wk = 0.0034014 k( 38) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034014 k( 39) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034014 k( 40) = ( 0.4924242 0.0151515 -0.0000000), wk = 0.0034014 k( 41) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0034014 k( 42) = ( 0.4772727 0.0454545 -0.0000000), wk = 0.0034014 k( 43) = ( 0.4696970 0.0606061 -0.0000000), wk = 0.0034014 k( 44) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0034014 k( 45) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0034014 k( 46) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0034014 k( 47) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0034014 k( 48) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0034014 k( 49) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0034014 k( 50) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0034014 k( 51) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0034014 k( 52) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0034014 k( 53) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0034014 k( 54) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0034014 k( 55) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0034014 k( 56) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0034014 k( 57) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0034014 k( 58) = ( 0.3560606 0.2878788 -0.0000000), wk = 0.0034014 k( 59) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0034014 k( 60) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0034014 k( 61) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034014 k( 62) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034014 k( 63) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0034014 k( 64) = ( 0.3178295 0.3178295 -0.0000000), wk = 0.0034014 k( 65) = ( 0.3100775 0.3100775 -0.0000000), wk = 0.0034014 k( 66) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0034014 k( 67) = ( 0.2945736 0.2945736 -0.0000000), wk = 0.0034014 k( 68) = ( 0.2868217 0.2868217 -0.0000000), wk = 0.0034014 k( 69) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0034014 k( 70) = ( 0.2713178 0.2713178 -0.0000000), wk = 0.0034014 k( 71) = ( 0.2635659 0.2635659 -0.0000000), wk = 0.0034014 k( 72) = ( 0.2558140 0.2558139 -0.0000000), wk = 0.0034014 k( 73) = ( 0.2480620 0.2480620 0.0000000), wk = 0.0034014 k( 74) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0034014 k( 75) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0034014 k( 76) = ( 0.2248062 0.2248062 -0.0000000), wk = 0.0034014 k( 77) = ( 0.2170543 0.2170543 -0.0000000), wk = 0.0034014 k( 78) = ( 0.2093023 0.2093023 0.0000000), wk = 0.0034014 k( 79) = ( 0.2015504 0.2015504 -0.0000000), wk = 0.0034014 k( 80) = ( 0.1937985 0.1937984 -0.0000000), wk = 0.0034014 k( 81) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0034014 k( 82) = ( 0.1782946 0.1782946 -0.0000000), wk = 0.0034014 k( 83) = ( 0.1705426 0.1705426 -0.0000000), wk = 0.0034014 k( 84) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0034014 k( 85) = ( 0.1550388 0.1550388 -0.0000000), wk = 0.0034014 k( 86) = ( 0.1472868 0.1472868 -0.0000000), wk = 0.0034014 k( 87) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0034014 k( 88) = ( 0.1317830 0.1317830 -0.0000000), wk = 0.0034014 k( 89) = ( 0.1240310 0.1240310 0.0000000), wk = 0.0034014 k( 90) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0034014 k( 91) = ( 0.1085271 0.1085271 -0.0000000), wk = 0.0034014 k( 92) = ( 0.1007752 0.1007752 0.0000000), wk = 0.0034014 k( 93) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0034014 k( 94) = ( 0.0852713 0.0852713 -0.0000000), wk = 0.0034014 k( 95) = ( 0.0775194 0.0775194 -0.0000000), wk = 0.0034014 k( 96) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0034014 k( 97) = ( 0.0620155 0.0620155 -0.0000000), wk = 0.0034014 k( 98) = ( 0.0542636 0.0542636 -0.0000000), wk = 0.0034014 k( 99) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0034014 k( 100) = ( 0.0387597 0.0387597 -0.0000000), wk = 0.0034014 k( 101) = ( 0.0310078 0.0310077 -0.0000000), wk = 0.0034014 k( 102) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0034014 k( 103) = ( 0.0155039 0.0155039 -0.0000000), wk = 0.0034014 k( 104) = ( 0.0077519 0.0077519 -0.0000000), wk = 0.0034014 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 107) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0034014 k( 108) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0034014 k( 109) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0034014 k( 110) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0034014 k( 111) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0034014 k( 112) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0034014 k( 113) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0034014 k( 114) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0034014 k( 115) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034014 k( 116) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0034014 k( 117) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0034014 k( 118) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0034014 k( 119) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0034014 k( 120) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0034014 k( 121) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0034014 k( 122) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0034014 k( 123) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0034014 k( 124) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034014 k( 125) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0034014 k( 126) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0034014 k( 127) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0034014 k( 128) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0034014 k( 129) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0034014 k( 130) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0034014 k( 131) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0034014 k( 132) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 135) = ( 0.0135135 -0.0000000 0.5000000), wk = 0.0034014 k( 136) = ( 0.0270270 -0.0000000 0.5000000), wk = 0.0034014 k( 137) = ( 0.0405405 -0.0000000 0.5000000), wk = 0.0034014 k( 138) = ( 0.0540540 -0.0000000 0.5000000), wk = 0.0034014 k( 139) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0034014 k( 140) = ( 0.0810811 -0.0000000 0.5000000), wk = 0.0034014 k( 141) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0034014 k( 142) = ( 0.1081081 -0.0000000 0.5000000), wk = 0.0034014 k( 143) = ( 0.1216216 -0.0000000 0.5000000), wk = 0.0034014 k( 144) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0034014 k( 145) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0034014 k( 146) = ( 0.1621622 -0.0000000 0.5000000), wk = 0.0034014 k( 147) = ( 0.1756757 -0.0000000 0.5000000), wk = 0.0034014 k( 148) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0034014 k( 149) = ( 0.2027027 -0.0000000 0.5000000), wk = 0.0034014 k( 150) = ( 0.2162162 -0.0000000 0.5000000), wk = 0.0034014 k( 151) = ( 0.2297297 -0.0000000 0.5000000), wk = 0.0034014 k( 152) = ( 0.2432432 -0.0000000 0.5000000), wk = 0.0034014 k( 153) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0034014 k( 154) = ( 0.2702703 -0.0000000 0.5000000), wk = 0.0034014 k( 155) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0034014 k( 156) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0034014 k( 157) = ( 0.3108108 -0.0000000 0.5000000), wk = 0.0034014 k( 158) = ( 0.3243243 -0.0000000 0.5000000), wk = 0.0034014 k( 159) = ( 0.3378378 -0.0000000 0.5000000), wk = 0.0034014 k( 160) = ( 0.3513514 -0.0000000 0.5000000), wk = 0.0034014 k( 161) = ( 0.3648649 -0.0000000 0.5000000), wk = 0.0034014 k( 162) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0034014 k( 163) = ( 0.3918919 -0.0000000 0.5000000), wk = 0.0034014 k( 164) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0034014 k( 165) = ( 0.4189189 -0.0000000 0.5000000), wk = 0.0034014 k( 166) = ( 0.4324324 -0.0000000 0.5000000), wk = 0.0034014 k( 167) = ( 0.4459459 -0.0000000 0.5000000), wk = 0.0034014 k( 168) = ( 0.4594595 -0.0000000 0.5000000), wk = 0.0034014 k( 169) = ( 0.4729730 -0.0000000 0.5000000), wk = 0.0034014 k( 170) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0034014 k( 171) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034014 k( 172) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034014 k( 173) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0034014 k( 174) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0034014 k( 175) = ( 0.4772727 0.0454545 0.5000000), wk = 0.0034014 k( 176) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0034014 k( 177) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0034014 k( 178) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0034014 k( 179) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0034014 k( 180) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0034014 k( 181) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0034014 k( 182) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0034014 k( 183) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034014 k( 184) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0034014 k( 185) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0034014 k( 186) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0034014 k( 187) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0034014 k( 188) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0034014 k( 189) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0034014 k( 190) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0034014 k( 191) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0034014 k( 192) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0034014 k( 193) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0034014 k( 194) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034014 k( 195) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034014 k( 196) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0034014 k( 197) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0034014 k( 198) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0034014 k( 199) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0034014 k( 200) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0034014 k( 201) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0034014 k( 202) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0034014 k( 203) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0034014 k( 204) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0034014 k( 205) = ( 0.2558140 0.2558139 0.5000000), wk = 0.0034014 k( 206) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0034014 k( 207) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0034014 k( 208) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0034014 k( 209) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0034014 k( 210) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0034014 k( 211) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0034014 k( 212) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0034014 k( 213) = ( 0.1937985 0.1937984 0.5000000), wk = 0.0034014 k( 214) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0034014 k( 215) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0034014 k( 216) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0034014 k( 217) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0034014 k( 218) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0034014 k( 219) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0034014 k( 220) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0034014 k( 221) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0034014 k( 222) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0034014 k( 223) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0034014 k( 224) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0034014 k( 225) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0034014 k( 226) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0034014 k( 227) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0034014 k( 228) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0034014 k( 229) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0034014 k( 230) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0034014 k( 231) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0034014 k( 232) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0034014 k( 233) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0034014 k( 234) = ( 0.0310078 0.0310077 0.5000000), wk = 0.0034014 k( 235) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0034014 k( 236) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0034014 k( 237) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0034014 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 239) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034014 k( 240) = ( 0.5000000 -0.0000000 0.4814815), wk = 0.0034014 k( 241) = ( 0.5000000 -0.0000000 0.4629630), wk = 0.0034014 k( 242) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0034014 k( 243) = ( 0.5000000 -0.0000000 0.4259259), wk = 0.0034014 k( 244) = ( 0.5000000 -0.0000000 0.4074074), wk = 0.0034014 k( 245) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0034014 k( 246) = ( 0.5000000 -0.0000000 0.3703704), wk = 0.0034014 k( 247) = ( 0.5000000 -0.0000000 0.3518519), wk = 0.0034014 k( 248) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0034014 k( 249) = ( 0.5000000 -0.0000000 0.3148148), wk = 0.0034014 k( 250) = ( 0.5000000 -0.0000000 0.2962963), wk = 0.0034014 k( 251) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0034014 k( 252) = ( 0.5000000 -0.0000000 0.2592593), wk = 0.0034014 k( 253) = ( 0.5000000 -0.0000000 0.2407407), wk = 0.0034014 k( 254) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0034014 k( 255) = ( 0.5000000 -0.0000000 0.2037037), wk = 0.0034014 k( 256) = ( 0.5000000 -0.0000000 0.1851852), wk = 0.0034014 k( 257) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0034014 k( 258) = ( 0.5000000 -0.0000000 0.1481482), wk = 0.0034014 k( 259) = ( 0.5000000 -0.0000000 0.1296296), wk = 0.0034014 k( 260) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0034014 k( 261) = ( 0.5000000 -0.0000000 0.0925926), wk = 0.0034014 k( 262) = ( 0.5000000 -0.0000000 0.0740741), wk = 0.0034014 k( 263) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0034014 k( 264) = ( 0.5000000 -0.0000000 0.0370370), wk = 0.0034014 k( 265) = ( 0.5000000 -0.0000000 0.0185185), wk = 0.0034014 k( 266) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034014 k( 267) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034014 k( 268) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0034014 k( 269) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0034014 k( 270) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0034014 k( 271) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0034014 k( 272) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0034014 k( 273) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0034014 k( 274) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0034014 k( 275) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0034014 k( 276) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034014 k( 277) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0034014 k( 278) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0034014 k( 279) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0034014 k( 280) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0034014 k( 281) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0034014 k( 282) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0034014 k( 283) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0034014 k( 284) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0034014 k( 285) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034014 k( 286) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0034014 k( 287) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0034014 k( 288) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0034014 k( 289) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0034014 k( 290) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0034014 k( 291) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0034014 k( 292) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0034014 k( 293) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0034014 k( 294) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034014 Dense grid: 84101 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 37207 G-vectors FFT dimensions: ( 45, 45, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 270, 74) NL pseudopotentials 0.38 Mb ( 135, 186) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2338) G-vector shells 0.01 Mb ( 1081) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.22 Mb ( 270, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.42 Mb ( 186, 2, 74) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./KNiIO6.save/charge-density.dat Starting wfc are 90 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.6 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 10.7 secs Computing kpt #: 8 total cpu time spent up to now is 11.9 secs Computing kpt #: 9 total cpu time spent up to now is 12.9 secs Computing kpt #: 10 total cpu time spent up to now is 13.9 secs Computing kpt #: 11 total cpu time spent up to now is 14.9 secs Computing kpt #: 12 total cpu time spent up to now is 16.1 secs Computing kpt #: 13 total cpu time spent up to now is 17.2 secs Computing kpt #: 14 total cpu time spent up to now is 18.2 secs Computing kpt #: 15 total cpu time spent up to now is 19.2 secs Computing kpt #: 16 total cpu time spent up to now is 20.3 secs Computing kpt #: 17 total cpu time spent up to now is 21.4 secs Computing kpt #: 18 total cpu time spent up to now is 22.4 secs Computing kpt #: 19 total cpu time spent up to now is 23.3 secs Computing kpt #: 20 total cpu time spent up to now is 24.4 secs Computing kpt #: 21 total cpu time spent up to now is 25.4 secs Computing kpt #: 22 total cpu time spent up to now is 26.4 secs Computing kpt #: 23 total cpu time spent up to now is 27.5 secs Computing kpt #: 24 total cpu time spent up to now is 28.7 secs Computing kpt #: 25 total cpu time spent up to now is 29.9 secs Computing kpt #: 26 total cpu time spent up to now is 31.1 secs Computing kpt #: 27 total cpu time spent up to now is 32.3 secs Computing kpt #: 28 total cpu time spent up to now is 33.6 secs Computing kpt #: 29 total cpu time spent up to now is 34.8 secs Computing kpt #: 30 total cpu time spent up to now is 36.0 secs Computing kpt #: 31 total cpu time spent up to now is 37.4 secs Computing kpt #: 32 total cpu time spent up to now is 38.5 secs Computing kpt #: 33 total cpu time spent up to now is 39.7 secs Computing kpt #: 34 total cpu time spent up to now is 40.8 secs Computing kpt #: 35 total cpu time spent up to now is 42.0 secs Computing kpt #: 36 total cpu time spent up to now is 43.2 secs Computing kpt #: 37 total cpu time spent up to now is 44.3 secs Computing kpt #: 38 total cpu time spent up to now is 45.6 secs Computing kpt #: 39 total cpu time spent up to now is 46.7 secs Computing kpt #: 40 total cpu time spent up to now is 47.8 secs Computing kpt #: 41 total cpu time spent up to now is 49.1 secs Computing kpt #: 42 total cpu time spent up to now is 50.2 secs Computing kpt #: 43 total cpu time spent up to now is 51.4 secs Computing kpt #: 44 total cpu time spent up to now is 52.6 secs Computing kpt #: 45 total cpu time spent up to now is 53.8 secs Computing kpt #: 46 total cpu time spent up to now is 55.0 secs Computing kpt #: 47 total cpu time spent up to now is 56.0 secs Computing kpt #: 48 total cpu time spent up to now is 57.0 secs Computing kpt #: 49 total cpu time spent up to now is 58.0 secs Computing kpt #: 50 total cpu time spent up to now is 59.1 secs Computing kpt #: 51 total cpu time spent up to now is 60.2 secs Computing kpt #: 52 total cpu time spent up to now is 61.3 secs Computing kpt #: 53 total cpu time spent up to now is 62.2 secs Computing kpt #: 54 total cpu time spent up to now is 63.3 secs Computing kpt #: 55 total cpu time spent up to now is 64.3 secs Computing kpt #: 56 total cpu time spent up to now is 65.3 secs Computing kpt #: 57 total cpu time spent up to now is 66.4 secs Computing kpt #: 58 total cpu time spent up to now is 67.5 secs Computing kpt #: 59 total cpu time spent up to now is 68.5 secs Computing kpt #: 60 total cpu time spent up to now is 69.7 secs Computing kpt #: 61 total cpu time spent up to now is 70.9 secs Computing kpt #: 62 total cpu time spent up to now is 72.0 secs Computing kpt #: 63 total cpu time spent up to now is 73.2 secs Computing kpt #: 64 total cpu time spent up to now is 74.3 secs Computing kpt #: 65 total cpu time spent up to now is 75.3 secs Computing kpt #: 66 total cpu time spent up to now is 76.4 secs Computing kpt #: 67 total cpu time spent up to now is 77.5 secs Computing kpt #: 68 total cpu time spent up to now is 78.5 secs Computing kpt #: 69 total cpu time spent up to now is 79.5 secs Computing kpt #: 70 total cpu time spent up to now is 80.6 secs Computing kpt #: 71 total cpu time spent up to now is 81.6 secs Computing kpt #: 72 total cpu time spent up to now is 82.6 secs Computing kpt #: 73 total cpu time spent up to now is 83.6 secs Computing kpt #: 74 total cpu time spent up to now is 84.7 secs Computing kpt #: 75 total cpu time spent up to now is 85.7 secs Computing kpt #: 76 total cpu time spent up to now is 86.7 secs Computing kpt #: 77 total cpu time spent up to now is 87.8 secs Computing kpt #: 78 total cpu time spent up to now is 88.9 secs Computing kpt #: 79 total cpu time spent up to now is 89.9 secs Computing kpt #: 80 total cpu time spent up to now is 90.9 secs Computing kpt #: 81 total cpu time spent up to now is 92.1 secs Computing kpt #: 82 total cpu time spent up to now is 93.2 secs Computing kpt #: 83 total cpu time spent up to now is 94.2 secs Computing kpt #: 84 total cpu time spent up to now is 95.2 secs Computing kpt #: 85 total cpu time spent up to now is 96.2 secs Computing kpt #: 86 total cpu time spent up to now is 97.3 secs Computing kpt #: 87 total cpu time spent up to now is 98.3 secs Computing kpt #: 88 total cpu time spent up to now is 99.3 secs Computing kpt #: 89 total cpu time spent up to now is 100.2 secs Computing kpt #: 90 total cpu time spent up to now is 101.3 secs Computing kpt #: 91 total cpu time spent up to now is 102.2 secs Computing kpt #: 92 total cpu time spent up to now is 103.2 secs Computing kpt #: 93 total cpu time spent up to now is 104.2 secs Computing kpt #: 94 total cpu time spent up to now is 105.2 secs Computing kpt #: 95 total cpu time spent up to now is 106.2 secs Computing kpt #: 96 total cpu time spent up to now is 107.7 secs Computing kpt #: 97 total cpu time spent up to now is 108.7 secs Computing kpt #: 98 total cpu time spent up to now is 109.7 secs Computing kpt #: 99 total cpu time spent up to now is 111.3 secs Computing kpt #: 100 total cpu time spent up to now is 112.5 secs Computing kpt #: 101 total cpu time spent up to now is 113.6 secs Computing kpt #: 102 total cpu time spent up to now is 114.5 secs Computing kpt #: 103 total cpu time spent up to now is 115.6 secs Computing kpt #: 104 total cpu time spent up to now is 116.6 secs Computing kpt #: 105 total cpu time spent up to now is 117.6 secs Computing kpt #: 106 total cpu time spent up to now is 118.7 secs Computing kpt #: 107 total cpu time spent up to now is 119.6 secs Computing kpt #: 108 total cpu time spent up to now is 120.7 secs Computing kpt #: 109 total cpu time spent up to now is 121.8 secs Computing kpt #: 110 total cpu time spent up to now is 122.8 secs Computing kpt #: 111 total cpu time spent up to now is 123.9 secs Computing kpt #: 112 total cpu time spent up to now is 124.9 secs Computing kpt #: 113 total cpu time spent up to now is 126.1 secs Computing kpt #: 114 total cpu time spent up to now is 127.3 secs Computing kpt #: 115 total cpu time spent up to now is 128.5 secs Computing kpt #: 116 total cpu time spent up to now is 129.7 secs Computing kpt #: 117 total cpu time spent up to now is 132.3 secs Computing kpt #: 118 total cpu time spent up to now is 134.2 secs Computing kpt #: 119 total cpu time spent up to now is 135.3 secs Computing kpt #: 120 total cpu time spent up to now is 136.2 secs Computing kpt #: 121 total cpu time spent up to now is 137.3 secs Computing kpt #: 122 total cpu time spent up to now is 138.3 secs Computing kpt #: 123 total cpu time spent up to now is 139.2 secs Computing kpt #: 124 total cpu time spent up to now is 140.2 secs Computing kpt #: 125 total cpu time spent up to now is 141.2 secs Computing kpt #: 126 total cpu time spent up to now is 142.2 secs Computing kpt #: 127 total cpu time spent up to now is 143.2 secs Computing kpt #: 128 total cpu time spent up to now is 144.2 secs Computing kpt #: 129 total cpu time spent up to now is 145.2 secs Computing kpt #: 130 total cpu time spent up to now is 146.2 secs Computing kpt #: 131 total cpu time spent up to now is 147.2 secs Computing kpt #: 132 total cpu time spent up to now is 148.2 secs Computing kpt #: 133 total cpu time spent up to now is 149.2 secs Computing kpt #: 134 total cpu time spent up to now is 150.2 secs Computing kpt #: 135 total cpu time spent up to now is 151.2 secs Computing kpt #: 136 total cpu time spent up to now is 152.2 secs Computing kpt #: 137 total cpu time spent up to now is 153.2 secs Computing kpt #: 138 total cpu time spent up to now is 154.2 secs Computing kpt #: 139 total cpu time spent up to now is 155.2 secs Computing kpt #: 140 total cpu time spent up to now is 156.2 secs Computing kpt #: 141 total cpu time spent up to now is 157.2 secs Computing kpt #: 142 total cpu time spent up to now is 158.4 secs Computing kpt #: 143 total cpu time spent up to now is 159.5 secs Computing kpt #: 144 total cpu time spent up to now is 160.6 secs Computing kpt #: 145 total cpu time spent up to now is 161.7 secs Computing kpt #: 146 total cpu time spent up to now is 162.7 secs Computing kpt #: 147 total cpu time spent up to now is 163.8 secs Computing kpt #: 148 total cpu time spent up to now is 165.0 secs Computing kpt #: 149 total cpu time spent up to now is 166.2 secs Computing kpt #: 150 total cpu time spent up to now is 167.3 secs Computing kpt #: 151 total cpu time spent up to now is 168.3 secs Computing kpt #: 152 total cpu time spent up to now is 169.4 secs Computing kpt #: 153 total cpu time spent up to now is 170.4 secs Computing kpt #: 154 total cpu time spent up to now is 171.5 secs Computing kpt #: 155 total cpu time spent up to now is 172.5 secs Computing kpt #: 156 total cpu time spent up to now is 173.6 secs Computing kpt #: 157 total cpu time spent up to now is 174.5 secs Computing kpt #: 158 total cpu time spent up to now is 175.7 secs Computing kpt #: 159 total cpu time spent up to now is 177.0 secs Computing kpt #: 160 total cpu time spent up to now is 178.4 secs Computing kpt #: 161 total cpu time spent up to now is 179.6 secs Computing kpt #: 162 total cpu time spent up to now is 181.0 secs Computing kpt #: 163 total cpu time spent up to now is 182.4 secs Computing kpt #: 164 total cpu time spent up to now is 183.8 secs Computing kpt #: 165 total cpu time spent up to now is 185.0 secs Computing kpt #: 166 total cpu time spent up to now is 186.2 secs Computing kpt #: 167 total cpu time spent up to now is 187.6 secs Computing kpt #: 168 total cpu time spent up to now is 188.9 secs Computing kpt #: 169 total cpu time spent up to now is 190.2 secs Computing kpt #: 170 total cpu time spent up to now is 191.5 secs Computing kpt #: 171 total cpu time spent up to now is 193.0 secs Computing kpt #: 172 total cpu time spent up to now is 194.3 secs Computing kpt #: 173 total cpu time spent up to now is 195.7 secs Computing kpt #: 174 total cpu time spent up to now is 197.0 secs Computing kpt #: 175 total cpu time spent up to now is 198.6 secs Computing kpt #: 176 total cpu time spent up to now is 200.1 secs Computing kpt #: 177 total cpu time spent up to now is 201.5 secs Computing kpt #: 178 total cpu time spent up to now is 203.4 secs Computing kpt #: 179 total cpu time spent up to now is 205.2 secs Computing kpt #: 180 total cpu time spent up to now is 207.7 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.2 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.9 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.4 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.0 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.6 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.2 secs Computing kpt #: 187 total cpu time spent up to now is 225.1 secs Computing kpt #: 188 total cpu time spent up to now is 227.3 secs Computing kpt #: 189 total cpu time spent up to now is 228.6 secs Computing kpt #: 190 total cpu time spent up to now is 229.8 secs Computing kpt #: 191 total cpu time spent up to now is 231.5 secs Computing kpt #: 192 total cpu time spent up to now is 232.5 secs Computing kpt #: 193 total cpu time spent up to now is 233.5 secs Computing kpt #: 194 total cpu time spent up to now is 234.5 secs Computing kpt #: 195 total cpu time spent up to now is 235.6 secs Computing kpt #: 196 total cpu time spent up to now is 237.4 secs Computing kpt #: 197 total cpu time spent up to now is 238.4 secs Computing kpt #: 198 total cpu time spent up to now is 239.9 secs Computing kpt #: 199 total cpu time spent up to now is 241.1 secs Computing kpt #: 200 total cpu time spent up to now is 242.6 secs Computing kpt #: 201 total cpu time spent up to now is 244.4 secs Computing kpt #: 202 total cpu time spent up to now is 246.0 secs Computing kpt #: 203 total cpu time spent up to now is 248.1 secs Computing kpt #: 204 total cpu time spent up to now is 249.8 secs Computing kpt #: 205 total cpu time spent up to now is 251.5 secs Computing kpt #: 206 total cpu time spent up to now is 253.6 secs Computing kpt #: 207 total cpu time spent up to now is 255.3 secs Computing kpt #: 208 total cpu time spent up to now is 256.4 secs Computing kpt #: 209 total cpu time spent up to now is 257.6 secs Computing kpt #: 210 total cpu time spent up to now is 258.8 secs Computing kpt #: 211 total cpu time spent up to now is 259.7 secs Computing kpt #: 212 total cpu time spent up to now is 260.8 secs Computing kpt #: 213 total cpu time spent up to now is 261.9 secs Computing kpt #: 214 total cpu time spent up to now is 262.8 secs Computing kpt #: 215 total cpu time spent up to now is 263.8 secs Computing kpt #: 216 total cpu time spent up to now is 264.9 secs Computing kpt #: 217 total cpu time spent up to now is 266.0 secs Computing kpt #: 218 total cpu time spent up to now is 267.1 secs Computing kpt #: 219 total cpu time spent up to now is 268.2 secs Computing kpt #: 220 total cpu time spent up to now is 269.2 secs Computing kpt #: 221 total cpu time spent up to now is 270.4 secs Computing kpt #: 222 total cpu time spent up to now is 271.3 secs Computing kpt #: 223 total cpu time spent up to now is 272.4 secs Computing kpt #: 224 total cpu time spent up to now is 273.5 secs Computing kpt #: 225 total cpu time spent up to now is 274.6 secs Computing kpt #: 226 total cpu time spent up to now is 275.7 secs Computing kpt #: 227 total cpu time spent up to now is 276.8 secs Computing kpt #: 228 total cpu time spent up to now is 277.9 secs Computing kpt #: 229 total cpu time spent up to now is 279.0 secs Computing kpt #: 230 total cpu time spent up to now is 280.1 secs Computing kpt #: 231 total cpu time spent up to now is 281.1 secs Computing kpt #: 232 total cpu time spent up to now is 282.1 secs Computing kpt #: 233 total cpu time spent up to now is 283.1 secs Computing kpt #: 234 total cpu time spent up to now is 284.1 secs Computing kpt #: 235 total cpu time spent up to now is 285.1 secs Computing kpt #: 236 total cpu time spent up to now is 286.1 secs Computing kpt #: 237 total cpu time spent up to now is 287.1 secs Computing kpt #: 238 total cpu time spent up to now is 288.1 secs Computing kpt #: 239 total cpu time spent up to now is 289.5 secs Computing kpt #: 240 total cpu time spent up to now is 290.7 secs Computing kpt #: 241 total cpu time spent up to now is 292.0 secs Computing kpt #: 242 total cpu time spent up to now is 293.5 secs Computing kpt #: 243 total cpu time spent up to now is 294.9 secs Computing kpt #: 244 total cpu time spent up to now is 296.6 secs Computing kpt #: 245 total cpu time spent up to now is 298.0 secs Computing kpt #: 246 total cpu time spent up to now is 299.3 secs Computing kpt #: 247 total cpu time spent up to now is 300.7 secs Computing kpt #: 248 total cpu time spent up to now is 302.0 secs Computing kpt #: 249 total cpu time spent up to now is 303.8 secs Computing kpt #: 250 total cpu time spent up to now is 305.6 secs Computing kpt #: 251 total cpu time spent up to now is 306.8 secs Computing kpt #: 252 total cpu time spent up to now is 308.5 secs Computing kpt #: 253 total cpu time spent up to now is 309.7 secs Computing kpt #: 254 total cpu time spent up to now is 311.3 secs Computing kpt #: 255 total cpu time spent up to now is 312.5 secs Computing kpt #: 256 total cpu time spent up to now is 313.8 secs Computing kpt #: 257 total cpu time spent up to now is 315.1 secs Computing kpt #: 258 total cpu time spent up to now is 316.7 secs Computing kpt #: 259 total cpu time spent up to now is 318.1 secs Computing kpt #: 260 total cpu time spent up to now is 319.5 secs Computing kpt #: 261 total cpu time spent up to now is 320.9 secs Computing kpt #: 262 total cpu time spent up to now is 322.1 secs Computing kpt #: 263 total cpu time spent up to now is 323.3 secs Computing kpt #: 264 total cpu time spent up to now is 324.6 secs Computing kpt #: 265 total cpu time spent up to now is 325.9 secs Computing kpt #: 266 total cpu time spent up to now is 327.1 secs Computing kpt #: 267 total cpu time spent up to now is 328.3 secs Computing kpt #: 268 total cpu time spent up to now is 329.4 secs Computing kpt #: 269 total cpu time spent up to now is 330.5 secs Computing kpt #: 270 total cpu time spent up to now is 331.6 secs Computing kpt #: 271 total cpu time spent up to now is 332.6 secs Computing kpt #: 272 total cpu time spent up to now is 333.7 secs Computing kpt #: 273 total cpu time spent up to now is 334.9 secs Computing kpt #: 274 total cpu time spent up to now is 336.0 secs Computing kpt #: 275 total cpu time spent up to now is 337.2 secs Computing kpt #: 276 total cpu time spent up to now is 338.4 secs Computing kpt #: 277 total cpu time spent up to now is 339.6 secs Computing kpt #: 278 total cpu time spent up to now is 340.9 secs Computing kpt #: 279 total cpu time spent up to now is 342.1 secs Computing kpt #: 280 total cpu time spent up to now is 343.3 secs Computing kpt #: 281 total cpu time spent up to now is 344.4 secs Computing kpt #: 282 total cpu time spent up to now is 345.5 secs Computing kpt #: 283 total cpu time spent up to now is 346.6 secs Computing kpt #: 284 total cpu time spent up to now is 347.6 secs Computing kpt #: 285 total cpu time spent up to now is 348.6 secs Computing kpt #: 286 total cpu time spent up to now is 349.7 secs Computing kpt #: 287 total cpu time spent up to now is 350.8 secs Computing kpt #: 288 total cpu time spent up to now is 352.0 secs Computing kpt #: 289 total cpu time spent up to now is 353.1 secs Computing kpt #: 290 total cpu time spent up to now is 354.1 secs Computing kpt #: 291 total cpu time spent up to now is 355.2 secs Computing kpt #: 292 total cpu time spent up to now is 356.3 secs Computing kpt #: 293 total cpu time spent up to now is 357.3 secs Computing kpt #: 294 total cpu time spent up to now is 359.0 secs ethr = 1.61E-08, avg # of iterations = 30.4 total cpu time spent up to now is 359.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4651 PWs) bands (ev): -22.2880 -22.2880 -17.5940 -17.5940 -14.3018 -14.3018 -13.8645 -13.8645 -13.7729 -13.7729 -12.5723 -12.5723 -12.5700 -12.5700 -6.1763 -6.1763 -6.0572 -6.0572 -5.8081 -5.8081 -5.7864 -5.7864 -2.1913 -2.1913 -1.8502 -1.8502 -1.5876 -1.5876 -0.3715 -0.3715 0.3896 0.3896 0.3902 0.3902 1.0513 1.0513 1.0786 1.0786 1.7152 1.7152 2.1797 2.1797 2.1907 2.1907 2.4790 2.4790 2.5136 2.5136 2.5783 2.5783 2.9709 2.9709 3.1767 3.1767 3.5826 3.5826 3.5964 3.5964 3.6747 3.6747 3.6938 3.6938 5.0972 5.0972 5.1112 5.1112 7.6555 7.6555 11.3144 11.3144 11.7044 11.7044 12.4585 12.4585 k = 0.0135 0.0078-0.0000 ( 4651 PWs) bands (ev): -22.2880 -22.2880 -17.5937 -17.5937 -14.3019 -14.3013 -13.8651 -13.8645 -13.7733 -13.7733 -12.5725 -12.5723 -12.5702 -12.5702 -6.1777 -6.1777 -6.0579 -6.0541 -5.8096 -5.8063 -5.7857 -5.7857 -2.1942 -2.1875 -1.8497 -1.8497 -1.5913 -1.5847 -0.3712 -0.3706 0.3887 0.3888 0.3905 0.3908 1.0516 1.0516 1.0784 1.0796 1.7175 1.7185 2.1781 2.1783 2.1893 2.1894 2.4777 2.4777 2.5055 2.5186 2.5762 2.5841 2.9673 2.9765 3.1754 3.1757 3.5806 3.5807 3.5943 3.5945 3.6742 3.6782 3.6952 3.6955 5.0967 5.0967 5.1107 5.1107 7.6573 7.6573 11.3134 11.3137 11.6979 11.7141 12.4584 12.4586 k = 0.0270 0.0156-0.0000 ( 4651 PWs) bands (ev): -22.2880 -22.2880 -17.5930 -17.5930 -14.3016 -14.3004 -13.8665 -13.8653 -13.7744 -13.7744 -12.5729 -12.5727 -12.5706 -12.5705 -6.1817 -6.1817 -6.0564 -6.0489 -5.8110 -5.8040 -5.7840 -5.7834 -2.1962 -2.1830 -1.8482 -1.8481 -1.5958 -1.5825 -0.3697 -0.3685 0.3857 0.3861 0.3922 0.3929 1.0520 1.0527 1.0796 1.0813 1.7254 1.7273 2.1736 2.1738 2.1852 2.1855 2.4738 2.4740 2.4959 2.5191 2.5792 2.5924 2.9659 2.9840 3.1717 3.1723 3.5739 3.5748 3.5884 3.5902 3.6756 3.6849 3.6989 3.7008 5.0952 5.0953 5.1093 5.1094 7.6627 7.6628 11.3105 11.3112 11.6946 11.7268 12.4578 12.4591 k = 0.0405 0.0234-0.0000 ( 4653 PWs) bands (ev): -22.2880 -22.2880 -17.5917 -17.5917 -14.3009 -14.2991 -13.8685 -13.8668 -13.7762 -13.7762 -12.5737 -12.5732 -12.5712 -12.5712 -6.1880 -6.1878 -6.0533 -6.0421 -5.8125 -5.8010 -5.7810 -5.7793 -2.1975 -2.1775 -1.8457 -1.8455 -1.6010 -1.5812 -0.3671 -0.3652 0.3808 0.3814 0.3952 0.3963 1.0516 1.0537 1.0832 1.0845 1.7385 1.7413 2.1663 2.1663 2.1782 2.1793 2.4679 2.4683 2.4854 2.5152 2.5865 2.6023 2.9666 2.9930 3.1659 3.1667 3.5619 3.5646 3.5810 3.5851 3.6774 3.6931 3.7050 3.7099 5.0923 5.0927 5.1071 5.1075 7.6717 7.6718 11.3060 11.3073 11.6944 11.7422 12.4567 12.4606 k = 0.0541 0.0312-0.0000 ( 4651 PWs) bands (ev): -22.2879 -22.2879 -17.5899 -17.5899 -14.2997 -14.2974 -13.8713 -13.8690 -13.7787 -13.7786 -12.5747 -12.5741 -12.5721 -12.5720 -6.1959 -6.1954 -6.0492 -6.0343 -5.8142 -5.7977 -5.7767 -5.7735 -2.1980 -2.1713 -1.8422 -1.8418 -1.6069 -1.5806 -0.3632 -0.3607 0.3742 0.3750 0.3994 0.4010 1.0500 1.0542 1.0898 1.0900 1.7563 1.7601 2.1558 2.1563 2.1686 2.1709 2.4604 2.4611 2.4744 2.5081 2.5966 2.6130 2.9691 3.0032 3.1583 3.1593 3.5456 3.5495 3.5740 3.5796 3.6787 3.6999 3.7152 3.7221 5.0881 5.0887 5.1045 5.1053 7.6842 7.6843 11.3002 11.3023 11.6971 11.7599 12.4553 12.4635 k = 0.0676 0.0390-0.0000 ( 4645 PWs) bands (ev): -22.2879 -22.2879 -17.5876 -17.5876 -14.2982 -14.2953 -13.8747 -13.8719 -13.7819 -13.7817 -12.5760 -12.5752 -12.5732 -12.5730 -6.2049 -6.2040 -6.0446 -6.0258 -5.8160 -5.7944 -5.7705 -5.7658 -2.1977 -2.1643 -1.8379 -1.8371 -1.6133 -1.5807 -0.3584 -0.3552 0.3662 0.3671 0.4049 0.4067 1.0475 1.0539 1.0985 1.0996 1.7781 1.7828 2.1428 2.1438 2.1564 2.1604 2.4518 2.4527 2.4629 2.4989 2.6080 2.6241 2.9729 3.0139 3.1492 3.1504 3.5259 3.5305 3.5673 3.5738 3.6792 3.7046 3.7292 3.7367 5.0823 5.0833 5.1016 5.1029 7.6999 7.7000 11.2934 11.2966 11.7022 11.7794 12.4541 12.4680 k = 0.0811 0.0468-0.0000 ( 4639 PWs) bands (ev): -22.2878 -22.2878 -17.5849 -17.5849 -14.2963 -14.2928 -13.8790 -13.8757 -13.7855 -13.7853 -12.5776 -12.5767 -12.5744 -12.5743 -6.2145 -6.2134 -6.0399 -6.0172 -5.8180 -5.7914 -5.7623 -5.7565 -2.1968 -2.1565 -1.8328 -1.8313 -1.6202 -1.5813 -0.3526 -0.3488 0.3571 0.3580 0.4114 0.4136 1.0445 1.0529 1.1097 1.1121 1.8030 1.8088 2.1274 2.1292 2.1420 2.1482 2.4423 2.4433 2.4510 2.4882 2.6199 2.6352 2.9778 3.0248 3.1393 3.1405 3.5035 3.5088 3.5608 3.5678 3.6789 3.7079 3.7453 3.7528 5.0752 5.0765 5.0987 5.1003 7.7186 7.7187 11.2859 11.2903 11.7094 11.8002 12.4537 12.4742 k = 0.0946 0.0546-0.0000 ( 4631 PWs) bands (ev): -22.2877 -22.2877 -17.5817 -17.5817 -14.2940 -14.2900 -13.8840 -13.8803 -13.7897 -13.7892 -12.5795 -12.5784 -12.5758 -12.5757 -6.2246 -6.2232 -6.0355 -6.0087 -5.8200 -5.7888 -5.7519 -5.7454 -2.1953 -2.1481 -1.8270 -1.8246 -1.6272 -1.5824 -0.3460 -0.3416 0.3471 0.3481 0.4190 0.4214 1.0416 1.0517 1.1236 1.1271 1.8300 1.8369 2.1100 2.1128 2.1257 2.1346 2.4318 2.4331 2.4392 2.4765 2.6315 2.6460 2.9831 3.0352 3.1288 3.1302 3.4790 3.4851 3.5543 3.5617 3.6778 3.7102 3.7627 3.7701 5.0669 5.0686 5.0955 5.0976 7.7400 7.7402 11.2782 11.2840 11.7183 11.8219 12.4545 12.4821 k = 0.1081 0.0624-0.0000 ( 4635 PWs) bands (ev): -22.2876 -22.2876 -17.5780 -17.5780 -14.2914 -14.2868 -13.8898 -13.8857 -13.7942 -13.7935 -12.5817 -12.5805 -12.5774 -12.5772 -6.2349 -6.2331 -6.0314 -6.0006 -5.8220 -5.7866 -5.7396 -5.7328 -2.1931 -2.1390 -1.8206 -1.8170 -1.6343 -1.5840 -0.3387 -0.3336 0.3366 0.3376 0.4275 0.4302 1.0390 1.0507 1.1397 1.1443 1.8575 1.8658 2.0910 2.0950 2.1085 2.1208 2.4198 2.4219 2.4280 2.4642 2.6425 2.6560 2.9883 3.0445 3.1183 3.1199 3.4530 3.4602 3.5478 3.5554 3.6759 3.7118 3.7807 3.7880 5.0577 5.0597 5.0922 5.0946 7.7640 7.7641 11.2707 11.2779 11.7286 11.8439 12.4568 12.4918 k = 0.1216 0.0702-0.0000 ( 4643 PWs) bands (ev): -22.2875 -22.2875 -17.5740 -17.5740 -14.2884 -14.2833 -13.8964 -13.8921 -13.7991 -13.7981 -12.5842 -12.5829 -12.5790 -12.5789 -6.2452 -6.2432 -6.0279 -5.9930 -5.8239 -5.7848 -5.7254 -5.7187 -2.1905 -2.1295 -1.8139 -1.8084 -1.6412 -1.5857 -0.3309 -0.3252 0.3260 0.3270 0.4369 0.4398 1.0370 1.0501 1.1580 1.1634 1.8833 1.8932 2.0707 2.0761 2.0921 2.1083 2.4065 2.4098 2.4176 2.4515 2.6523 2.6648 2.9930 3.0520 3.1083 3.1102 3.4261 3.4347 3.5413 3.5489 3.6734 3.7127 3.7990 3.8063 5.0478 5.0501 5.0886 5.0914 7.7901 7.7903 11.2636 11.2722 11.7400 11.8659 12.4610 12.5031 k = 0.1351 0.0780-0.0000 ( 4645 PWs) bands (ev): -22.2874 -22.2874 -17.5695 -17.5695 -14.2852 -14.2795 -13.9038 -13.8993 -13.8041 -13.8028 -12.5869 -12.5856 -12.5808 -12.5807 -6.2554 -6.2532 -6.0248 -5.9860 -5.8258 -5.7832 -5.7096 -5.7032 -2.1874 -2.1194 -1.8070 -1.7990 -1.6475 -1.5876 -0.3228 -0.3165 0.3157 0.3166 0.4470 0.4501 1.0357 1.0502 1.1781 1.1845 1.9038 1.9151 2.0492 2.0557 2.0807 2.1004 2.3923 2.3967 2.4075 2.4389 2.6608 2.6722 2.9966 3.0571 3.0992 3.1015 3.3990 3.4097 3.5347 3.5424 3.6704 3.7130 3.8172 3.8244 5.0376 5.0401 5.0848 5.0879 7.8181 7.8183 11.2573 11.2673 11.7521 11.8873 12.4671 12.5159 k = 0.1486 0.0858-0.0000 ( 4643 PWs) bands (ev): -22.2873 -22.2873 -17.5647 -17.5647 -14.2816 -14.2754 -13.9120 -13.9073 -13.8093 -13.8075 -12.5899 -12.5885 -12.5827 -12.5826 -6.2654 -6.2631 -6.0222 -5.9797 -5.8276 -5.7819 -5.6924 -5.6864 -2.1840 -2.1091 -1.8001 -1.7889 -1.6530 -1.5895 -0.3147 -0.3077 0.3060 0.3068 0.4578 0.4610 1.0354 1.0511 1.1999 1.2072 1.9147 1.9257 2.0267 2.0335 2.0804 2.1012 2.3776 2.3825 2.3976 2.4265 2.6673 2.6778 2.9987 3.0593 3.0913 3.0942 3.3724 3.3860 3.5281 3.5358 3.6670 3.7128 3.8349 3.8423 5.0272 5.0300 5.0806 5.0842 7.8477 7.8479 11.2519 11.2633 11.7647 11.9079 12.4754 12.5301 k = 0.1622 0.0936-0.0000 ( 4631 PWs) bands (ev): -22.2871 -22.2871 -17.5595 -17.5595 -14.2778 -14.2711 -13.9209 -13.9162 -13.8145 -13.8123 -12.5931 -12.5917 -12.5848 -12.5847 -6.2752 -6.2728 -6.0200 -5.9741 -5.8291 -5.7807 -5.6739 -5.6684 -2.1802 -2.0987 -1.7936 -1.7781 -1.6571 -1.5913 -0.3066 -0.2990 0.2973 0.2980 0.4692 0.4725 1.0360 1.0529 1.2232 1.2312 1.9130 1.9215 2.0032 2.0097 2.0940 2.1134 2.3625 2.3673 2.3876 2.4145 2.6717 2.6811 2.9989 3.0584 3.0849 3.0880 3.3472 3.3645 3.5216 3.5292 3.6634 3.7122 3.8520 3.8595 5.0169 5.0200 5.0763 5.0801 7.8784 7.8786 11.2477 11.2604 11.7778 11.9272 12.4858 12.5454 k = 0.1757 0.1014-0.0000 ( 4627 PWs) bands (ev): -22.2870 -22.2870 -17.5541 -17.5541 -14.2738 -14.2666 -13.9306 -13.9259 -13.8197 -13.8170 -12.5966 -12.5951 -12.5869 -12.5868 -6.2848 -6.2822 -6.0181 -5.9692 -5.8306 -5.7798 -5.6544 -5.6495 -2.1762 -2.0882 -1.7878 -1.7668 -1.6594 -1.5928 -0.2989 -0.2907 0.2899 0.2906 0.4812 0.4846 1.0376 1.0557 1.2475 1.2565 1.9003 1.9056 1.9787 1.9850 2.1175 2.1350 2.3476 2.3513 2.3778 2.4028 2.6735 2.6820 2.9969 3.0549 3.0803 3.0824 3.3241 3.3460 3.5151 3.5227 3.6597 3.7113 3.8681 3.8757 5.0070 5.0103 5.0716 5.0758 7.9100 7.9102 11.2448 11.2587 11.7910 11.9450 12.4982 12.5616 k = 0.1892 0.1092-0.0000 ( 4634 PWs) bands (ev): -22.2869 -22.2869 -17.5483 -17.5483 -14.2696 -14.2620 -13.9409 -13.9362 -13.8249 -13.8217 -12.6002 -12.5988 -12.5891 -12.5890 -6.2941 -6.2915 -6.0165 -5.9650 -5.8318 -5.7791 -5.6342 -5.6297 -2.1721 -2.0779 -1.7830 -1.7550 -1.6596 -1.5938 -0.2917 -0.2831 0.2841 0.2849 0.4935 0.4970 1.0402 1.0595 1.2728 1.2826 1.8801 1.8826 1.9534 1.9594 2.1446 2.1613 2.3339 2.3354 2.3680 2.3915 2.6727 2.6803 2.9924 3.0482 3.0777 3.0778 3.3038 3.3312 3.5089 3.5163 3.6562 3.7101 3.8830 3.8908 4.9977 5.0012 5.0668 5.0712 7.9421 7.9424 11.2433 11.2585 11.8043 11.9613 12.5125 12.5786 k = 0.2027 0.1170-0.0000 ( 4632 PWs) bands (ev): -22.2867 -22.2867 -17.5423 -17.5423 -14.2653 -14.2572 -13.9517 -13.9471 -13.8300 -13.8263 -12.6041 -12.6026 -12.5914 -12.5913 -6.3030 -6.3004 -6.0151 -5.9615 -5.8328 -5.7785 -5.6133 -5.6093 -2.1678 -2.0681 -1.7793 -1.7430 -1.6573 -1.5943 -0.2853 -0.2763 0.2802 0.2811 0.5063 0.5098 1.0439 1.0644 1.2985 1.3092 1.8554 1.8558 1.9278 1.9336 2.1697 2.1873 2.3214 2.3235 2.3583 2.3805 2.6691 2.6758 2.9854 3.0376 3.0757 3.0771 3.2868 3.3199 3.5029 3.5102 3.6529 3.7088 3.8965 3.9045 4.9891 4.9928 5.0617 5.0664 7.9745 7.9748 11.2434 11.2597 11.8176 11.9757 12.5285 12.5960 k = 0.2162 0.1248-0.0000 ( 4646 PWs) bands (ev): -22.2866 -22.2866 -17.5362 -17.5362 -14.2609 -14.2524 -13.9630 -13.9585 -13.8350 -13.8307 -12.6081 -12.6065 -12.5937 -12.5936 -6.3117 -6.3090 -6.0139 -5.9585 -5.8335 -5.7782 -5.5919 -5.5884 -2.1635 -2.0588 -1.7765 -1.7308 -1.6526 -1.5941 -0.2799 -0.2706 0.2784 0.2795 0.5193 0.5229 1.0486 1.0703 1.3244 1.3360 1.8269 1.8280 1.9021 1.9077 2.1866 2.2059 2.3142 2.3203 2.3489 2.3700 2.6628 2.6687 2.9758 3.0232 3.0764 3.0788 3.2732 3.3118 3.4973 3.5044 3.6500 3.7073 3.9083 3.9166 4.9815 4.9853 5.0564 5.0613 8.0067 8.0070 11.2451 11.2625 11.8308 11.9884 12.5459 12.6136 k = 0.2297 0.1326-0.0000 ( 4646 PWs) bands (ev): -22.2864 -22.2864 -17.5299 -17.5298 -14.2564 -14.2476 -13.9746 -13.9703 -13.8398 -13.8351 -12.6122 -12.6107 -12.5960 -12.5960 -6.3199 -6.3173 -6.0127 -5.9562 -5.8340 -5.7780 -5.5702 -5.5671 -2.1592 -2.0504 -1.7743 -1.7186 -1.6457 -1.5931 -0.2756 -0.2661 0.2789 0.2803 0.5326 0.5363 1.0542 1.0772 1.3499 1.3625 1.7968 1.7989 1.8769 1.8823 2.1900 2.2092 2.3201 2.3273 2.3412 2.3601 2.6540 2.6591 2.9642 3.0065 3.0796 3.0827 3.2630 3.3064 3.4923 3.4991 3.6476 3.7059 3.9184 3.9269 4.9750 4.9790 5.0509 5.0561 8.0387 8.0390 11.2485 11.2669 11.8439 11.9994 12.5643 12.6311 k = 0.2432 0.1404-0.0000 ( 4650 PWs) bands (ev): -22.2863 -22.2863 -17.5234 -17.5234 -14.2520 -14.2428 -13.9864 -13.9822 -13.8445 -13.8393 -12.6164 -12.6149 -12.5984 -12.5984 -6.3279 -6.3253 -6.0117 -5.9544 -5.8342 -5.7780 -5.5484 -5.5457 -2.1550 -2.0431 -1.7722 -1.7067 -1.6368 -1.5910 -0.2725 -0.2629 0.2817 0.2835 0.5461 0.5498 1.0609 1.0852 1.3744 1.3881 1.7660 1.7689 1.8526 1.8578 2.1804 2.1969 2.3278 2.3365 2.3501 2.3526 2.6429 2.6473 2.9514 2.9889 3.0848 3.0885 3.2557 3.3027 3.4880 3.4944 3.6458 3.7045 3.9265 3.9353 4.9698 4.9738 5.0453 5.0507 8.0700 8.0703 11.2535 11.2728 11.8568 12.0088 12.5833 12.6480 k = 0.2568 0.1482-0.0000 ( 4646 PWs) bands (ev): -22.2861 -22.2861 -17.5169 -17.5169 -14.2475 -14.2381 -13.9983 -13.9942 -13.8490 -13.8434 -12.6207 -12.6192 -12.6008 -12.6008 -6.3354 -6.3329 -6.0106 -5.9532 -5.8342 -5.7781 -5.5266 -5.5242 -2.1509 -2.0371 -1.7697 -1.6953 -1.6265 -1.5878 -0.2706 -0.2610 0.2868 0.2891 0.5598 0.5635 1.0684 1.0941 1.3972 1.4120 1.7352 1.7384 1.8301 1.8349 2.1623 2.1759 2.3198 2.3376 2.3660 2.3728 2.6299 2.6337 2.9384 2.9717 3.0913 3.0958 3.2510 3.3003 3.4845 3.4906 3.6447 3.7031 3.9327 3.9417 4.9659 4.9699 5.0396 5.0451 8.1004 8.1008 11.2602 11.2804 11.8695 12.0166 12.6025 12.6642 k = 0.2703 0.1560-0.0000 ( 4632 PWs) bands (ev): -22.2859 -22.2859 -17.5104 -17.5104 -14.2432 -14.2337 -14.0101 -14.0062 -13.8533 -13.8474 -12.6250 -12.6236 -12.6031 -12.6031 -6.3426 -6.3401 -6.0096 -5.9524 -5.8339 -5.7784 -5.5049 -5.5028 -2.1468 -2.0324 -1.7665 -1.6846 -1.6151 -1.5833 -0.2699 -0.2605 0.2941 0.2970 0.5735 0.5774 1.0767 1.1038 1.4174 1.4334 1.7045 1.7078 1.8102 1.8145 2.1393 2.1502 2.3116 2.3293 2.3896 2.3967 2.6153 2.6184 2.9263 2.9561 3.0987 3.1043 3.2484 3.2988 3.4821 3.4878 3.6443 3.7019 3.9368 3.9460 4.9633 4.9674 5.0339 5.0395 8.1299 8.1302 11.2685 11.2895 11.8821 12.0231 12.6213 12.6792 k = 0.2838 0.1638-0.0000 ( 4636 PWs) bands (ev): -22.2858 -22.2858 -17.5039 -17.5039 -14.2391 -14.2294 -14.0217 -14.0180 -13.8575 -13.8512 -12.6294 -12.6279 -12.6054 -12.6054 -6.3494 -6.3470 -6.0085 -5.9521 -5.8333 -5.7789 -5.4836 -5.4818 -2.1429 -2.0293 -1.7622 -1.6747 -1.6029 -1.5776 -0.2703 -0.2612 0.3036 0.3071 0.5873 0.5913 1.0857 1.1143 1.4338 1.4509 1.6744 1.6774 1.7940 1.7977 2.1133 2.1220 2.3036 2.3207 2.4118 2.4190 2.5995 2.6019 2.9157 2.9427 3.1067 3.1135 3.2475 3.2978 3.4809 3.4862 3.6446 3.7008 3.9388 3.9482 4.9619 4.9660 5.0281 5.0338 8.1580 8.1583 11.2782 11.3001 11.8945 12.0285 12.6393 12.6926 k = 0.2973 0.1716-0.0000 ( 4634 PWs) bands (ev): -22.2856 -22.2856 -17.4975 -17.4975 -14.2353 -14.2255 -14.0329 -14.0294 -13.8614 -13.8549 -12.6337 -12.6323 -12.6077 -12.6077 -6.3558 -6.3535 -6.0073 -5.9522 -5.8326 -5.7796 -5.4627 -5.4611 -2.1391 -2.0277 -1.7568 -1.6659 -1.5903 -1.5705 -0.2717 -0.2630 0.3149 0.3192 0.6012 0.6052 1.0952 1.1254 1.4452 1.4634 1.6450 1.6474 1.7826 1.7857 2.0854 2.0921 2.2961 2.3125 2.4308 2.4383 2.5827 2.5846 2.9072 2.9320 3.1149 3.1229 3.2481 3.2972 3.4811 3.4859 3.6456 3.6998 3.9388 3.9484 4.9619 4.9659 5.0224 5.0280 8.1848 8.1851 11.2893 11.3119 11.9068 12.0329 12.6559 12.7040 k = 0.3108 0.1794-0.0000 ( 4640 PWs) bands (ev): -22.2855 -22.2855 -17.4912 -17.4912 -14.2317 -14.2221 -14.0436 -14.0403 -13.8652 -13.8585 -12.6380 -12.6366 -12.6099 -12.6099 -6.3618 -6.3596 -6.0061 -5.9526 -5.8315 -5.7804 -5.4424 -5.4411 -2.1355 -2.0275 -1.7501 -1.6580 -1.5775 -1.5623 -0.2741 -0.2657 0.3280 0.3330 0.6149 0.6191 1.1051 1.1368 1.4507 1.4696 1.6167 1.6181 1.7770 1.7796 2.0563 2.0614 2.2892 2.3048 2.4458 2.4535 2.5654 2.5667 2.9013 2.9244 3.1229 3.1322 3.2500 3.2970 3.4827 3.4871 3.6472 3.6989 3.9368 3.9465 4.9629 4.9669 5.0167 5.0223 8.2100 8.2103 11.3017 11.3248 11.9190 12.0364 12.6707 12.7132 k = 0.3243 0.1872-0.0000 ( 4640 PWs) bands (ev): -22.2854 -22.2854 -17.4851 -17.4851 -14.2286 -14.2191 -14.0536 -14.0506 -13.8687 -13.8619 -12.6421 -12.6409 -12.6121 -12.6121 -6.3674 -6.3653 -6.0048 -5.9534 -5.8303 -5.7813 -5.4228 -5.4217 -2.1319 -2.0286 -1.7424 -1.6512 -1.5646 -1.5531 -0.2771 -0.2693 0.3425 0.3483 0.6286 0.6328 1.1151 1.1485 1.4500 1.4690 1.5896 1.5897 1.7777 1.7800 2.0267 2.0303 2.2829 2.2976 2.4563 2.4642 2.5481 2.5488 2.8978 2.9197 3.1305 3.1410 3.2532 3.2974 3.4861 3.4901 3.6493 3.6981 3.9330 3.9426 4.9650 4.9688 5.0112 5.0166 8.2335 8.2339 11.3150 11.3386 11.9311 12.0395 12.6831 12.7198 k = 0.3378 0.1951-0.0000 ( 4640 PWs) bands (ev): -22.2852 -22.2852 -17.4792 -17.4792 -14.2259 -14.2167 -14.0628 -14.0601 -13.8719 -13.8652 -12.6462 -12.6450 -12.6141 -12.6141 -6.3726 -6.3707 -6.0033 -5.9545 -5.8289 -5.7824 -5.4041 -5.4032 -2.1285 -2.0308 -1.7338 -1.6453 -1.5519 -1.5434 -0.2808 -0.2734 0.3581 0.3647 0.6421 0.6464 1.1250 1.1600 1.4434 1.4621 1.5623 1.5639 1.7842 1.7866 1.9970 1.9995 2.2774 2.2910 2.4620 2.4697 2.5312 2.5317 2.8967 2.9175 3.1377 3.1491 3.2575 3.2983 3.4911 3.4947 3.6518 3.6975 3.9273 3.9370 4.9678 4.9715 5.0058 5.0112 8.2554 8.2557 11.3292 11.3531 11.9432 12.0421 12.6928 12.7237 k = 0.3514 0.2029-0.0000 ( 4636 PWs) bands (ev): -22.2851 -22.2851 -17.4736 -17.4736 -14.2237 -14.2150 -14.0710 -14.0687 -13.8749 -13.8683 -12.6501 -12.6490 -12.6160 -12.6160 -6.3774 -6.3756 -6.0018 -5.9558 -5.8273 -5.7837 -5.3864 -5.3856 -2.1252 -2.0339 -1.7245 -1.6402 -1.5396 -1.5332 -0.2849 -0.2781 0.3747 0.3819 0.6554 0.6597 1.1345 1.1710 1.4322 1.4502 1.5361 1.5398 1.7954 1.7981 1.9679 1.9695 2.2725 2.2851 2.4624 2.4691 2.5160 2.5170 2.8973 2.9173 3.1442 3.1563 3.2628 3.2998 3.4978 3.5011 3.6547 3.6969 3.9201 3.9297 4.9713 4.9747 5.0009 5.0059 8.2755 8.2758 11.3439 11.3679 11.9552 12.0444 12.6996 12.7250 k = 0.3649 0.2107-0.0000 ( 4646 PWs) bands (ev): -22.2850 -22.2850 -17.4683 -17.4683 -14.2221 -14.2139 -14.0783 -14.0764 -13.8776 -13.8712 -12.6538 -12.6527 -12.6178 -12.6178 -6.3818 -6.3802 -6.0002 -5.9573 -5.8256 -5.7850 -5.3698 -5.3691 -2.1219 -2.0377 -1.7148 -1.6358 -1.5277 -1.5230 -0.2892 -0.2830 0.3919 0.3996 0.6683 0.6727 1.1432 1.1810 1.4180 1.4349 1.5114 1.5174 1.8098 1.8131 1.9397 1.9407 2.2685 2.2800 2.4570 2.4616 2.5037 2.5061 2.8992 2.9185 3.1500 3.1624 3.2692 3.3020 3.5062 3.5092 3.6578 3.6963 3.9115 3.9209 4.9750 4.9780 4.9964 5.0011 8.2937 8.2940 11.3589 11.3828 11.9673 12.0467 12.7034 12.7235 k = 0.3784 0.2185-0.0000 ( 4646 PWs) bands (ev): -22.2849 -22.2849 -17.4633 -17.4633 -14.2210 -14.2136 -14.0845 -14.0830 -13.8801 -13.8739 -12.6572 -12.6563 -12.6195 -12.6195 -6.3858 -6.3843 -5.9985 -5.9591 -5.8237 -5.7865 -5.3544 -5.3538 -2.1186 -2.0420 -1.7049 -1.6321 -1.5165 -1.5131 -0.2936 -0.2880 0.4094 0.4175 0.6808 0.6852 1.1508 1.1896 1.4020 1.4176 1.4886 1.4969 1.8262 1.8301 1.9129 1.9138 2.2654 2.2756 2.4459 2.4483 2.4947 2.4986 2.9019 2.9203 3.1552 3.1674 3.2763 3.3049 3.5160 3.5188 3.6611 3.6958 3.9017 3.9108 4.9785 4.9807 4.9933 4.9971 8.3101 8.3104 11.3739 11.3973 11.9793 12.0490 12.7043 12.7198 k = 0.3919 0.2263-0.0000 ( 4648 PWs) bands (ev): -22.2848 -22.2848 -17.4588 -17.4587 -14.2205 -14.2138 -14.0896 -14.0885 -13.8822 -13.8764 -12.6604 -12.6595 -12.6210 -12.6210 -6.3893 -6.3880 -5.9966 -5.9609 -5.8218 -5.7881 -5.3404 -5.3398 -2.1153 -2.0466 -1.6950 -1.6291 -1.5060 -1.5036 -0.2980 -0.2930 0.4269 0.4352 0.6928 0.6971 1.1571 1.1962 1.3857 1.3997 1.4680 1.4785 1.8426 1.8481 1.8879 1.8899 2.2631 2.2720 2.4313 2.4319 2.4879 2.4927 2.9049 2.9223 3.1597 3.1713 3.2840 3.3082 3.5269 3.5297 3.6644 3.6952 3.8910 3.8998 4.9808 4.9810 4.9930 4.9947 8.3247 8.3250 11.3885 11.4111 11.9912 12.0514 12.7025 12.7140 k = 0.4054 0.2341-0.0000 ( 4644 PWs) bands (ev): -22.2847 -22.2847 -17.4546 -17.4546 -14.2204 -14.2146 -14.0937 -14.0931 -13.8841 -13.8788 -12.6633 -12.6625 -12.6224 -12.6224 -6.3924 -6.3913 -5.9947 -5.9630 -5.8197 -5.7898 -5.3277 -5.3273 -2.1120 -2.0515 -1.6852 -1.6268 -1.4964 -1.4947 -0.3022 -0.2978 0.4440 0.4523 0.7041 0.7082 1.1619 1.2003 1.3698 1.3821 1.4501 1.4624 1.8523 1.8640 1.8673 1.8752 2.2618 2.2693 2.4145 2.4151 2.4822 2.4873 2.9079 2.9240 3.1636 3.1743 3.2919 3.3121 3.5388 3.5415 3.6677 3.6947 3.8797 3.8880 4.9789 4.9805 4.9952 4.9954 8.3376 8.3378 11.4026 11.4239 12.0028 12.0539 12.6986 12.7067 k = 0.4189 0.2419-0.0000 ( 4648 PWs) bands (ev): -22.2846 -22.2846 -17.4510 -17.4510 -14.2208 -14.2158 -14.0969 -14.0966 -13.8857 -13.8809 -12.6658 -12.6652 -12.6236 -12.6236 -6.3952 -6.3942 -5.9927 -5.9651 -5.8176 -5.7917 -5.3165 -5.3162 -2.1086 -2.0565 -1.6758 -1.6253 -1.4879 -1.4867 -0.3061 -0.3024 0.4603 0.4683 0.7145 0.7184 1.1652 1.2016 1.3551 1.3655 1.4355 1.4488 1.8404 1.8448 1.8835 1.8841 2.2615 2.2676 2.3972 2.3985 2.4770 2.4819 2.9107 2.9252 3.1669 3.1764 3.2997 3.3161 3.5511 3.5538 3.6710 3.6940 3.8682 3.8758 4.9761 4.9783 4.9978 4.9987 8.3486 8.3488 11.4158 11.4353 12.0141 12.0565 12.6932 12.6986 k = 0.4324 0.2497-0.0000 ( 4644 PWs) bands (ev): -22.2845 -22.2845 -17.4478 -17.4478 -14.2213 -14.2173 -14.0994 -14.0993 -13.8869 -13.8828 -12.6681 -12.6675 -12.6246 -12.6246 -6.3974 -6.3966 -5.9906 -5.9673 -5.8154 -5.7936 -5.3069 -5.3067 -2.1051 -2.0616 -1.6670 -1.6245 -1.4805 -1.4796 -0.3096 -0.3065 0.4754 0.4828 0.7239 0.7275 1.1671 1.2000 1.3420 1.3504 1.4243 1.4377 1.8245 1.8273 1.8987 1.8993 2.2623 2.2669 2.3805 2.3824 2.4723 2.4767 2.9133 2.9259 3.1697 3.1778 3.3072 3.3201 3.5635 3.5660 3.6741 3.6932 3.8568 3.8637 4.9734 4.9755 5.0010 5.0021 8.3578 8.3580 11.4279 11.4451 12.0247 12.0589 12.6868 12.6903 k = 0.4459 0.2575-0.0000 ( 4648 PWs) bands (ev): -22.2845 -22.2845 -17.4452 -17.4452 -14.2220 -14.2188 -14.1013 -14.1011 -13.8878 -13.8844 -12.6699 -12.6694 -12.6255 -12.6255 -6.3993 -6.3986 -5.9884 -5.9696 -5.8132 -5.7956 -5.2990 -5.2988 -2.1015 -2.0666 -1.6588 -1.6246 -1.4742 -1.4737 -0.3126 -0.3101 0.4889 0.4953 0.7321 0.7352 1.1681 1.1962 1.3309 1.3373 1.4166 1.4288 1.8107 1.8128 1.9123 1.9132 2.2640 2.2673 2.3651 2.3672 2.4682 2.4719 2.9156 2.9260 3.1720 3.1785 3.3139 3.3237 3.5752 3.5776 3.6770 3.6922 3.8462 3.8521 4.9711 4.9729 5.0041 5.0051 8.3653 8.3655 11.4385 11.4530 12.0344 12.0609 12.6803 12.6823 k = 0.4595 0.2653-0.0000 ( 4648 PWs) bands (ev): -22.2844 -22.2844 -17.4432 -17.4432 -14.2226 -14.2202 -14.1026 -14.1024 -13.8884 -13.8858 -12.6713 -12.6710 -12.6261 -12.6261 -6.4007 -6.4002 -5.9861 -5.9720 -5.8109 -5.7976 -5.2928 -5.2926 -2.0978 -2.0715 -1.6513 -1.6256 -1.4693 -1.4690 -0.3149 -0.3130 0.5002 0.5054 0.7389 0.7413 1.1688 1.1908 1.3220 1.3266 1.4120 1.4220 1.7998 1.8013 1.9238 1.9246 2.2665 2.2685 2.3515 2.3536 2.4649 2.4678 2.9176 2.9256 3.1739 3.1788 3.3196 3.3266 3.5857 3.5877 3.6797 3.6911 3.8369 3.8417 4.9693 4.9707 5.0068 5.0075 8.3712 8.3713 11.4475 11.4588 12.0430 12.0624 12.6743 12.6753 k = 0.4730 0.2731-0.0000 ( 4648 PWs) bands (ev): -22.2844 -22.2844 -17.4417 -17.4417 -14.2230 -14.2215 -14.1034 -14.1033 -13.8887 -13.8870 -12.6723 -12.6721 -12.6266 -12.6266 -6.4017 -6.4014 -5.9838 -5.9743 -5.8086 -5.7997 -5.2883 -5.2882 -2.0938 -2.0763 -1.6447 -1.6275 -1.4657 -1.4655 -0.3165 -0.3153 0.5090 0.5126 0.7440 0.7457 1.1698 1.1849 1.3155 1.3184 1.4099 1.4170 1.7920 1.7930 1.9324 1.9330 2.2693 2.2704 2.3407 2.3424 2.4626 2.4646 2.9194 2.9248 3.1754 3.1787 3.3242 3.3287 3.5942 3.5957 3.6823 3.6898 3.8298 3.8332 4.9680 4.9690 5.0088 5.0093 8.3753 8.3754 11.4547 11.4625 12.0502 12.0628 12.6695 12.6700 k = 0.4865 0.2809-0.0000 ( 4652 PWs) bands (ev): -22.2844 -22.2844 -17.4408 -17.4408 -14.2231 -14.2224 -14.1039 -14.1038 -13.8887 -13.8878 -12.6729 -12.6728 -12.6269 -12.6269 -6.4023 -6.4021 -5.9815 -5.9767 -5.8064 -5.8019 -5.2856 -5.2855 -2.0897 -2.0810 -1.6390 -1.6304 -1.4636 -1.4635 -0.3174 -0.3168 0.5148 0.5167 0.7474 0.7483 1.1718 1.1794 1.3118 1.3132 1.4097 1.4133 1.7874 1.7879 1.9379 1.9382 2.2718 2.2722 2.3335 2.3345 2.4613 2.4624 2.9211 2.9238 3.1766 3.1783 3.3274 3.3296 3.5999 3.6007 3.6845 3.6883 3.8255 3.8273 4.9673 4.9678 5.0101 5.0103 8.3778 8.3778 11.4599 11.4638 12.0558 12.0621 12.6664 12.6666 k = 0.5000 0.2887-0.0000 ( 4652 PWs) bands (ev): -22.2844 -22.2844 -17.4405 -17.4405 -14.2229 -14.2229 -14.1040 -14.1040 -13.8884 -13.8884 -12.6731 -12.6731 -12.6270 -12.6270 -6.4024 -6.4024 -5.9791 -5.9791 -5.8041 -5.8041 -5.2846 -5.2846 -2.0854 -2.0854 -1.6342 -1.6342 -1.4628 -1.4628 -0.3175 -0.3175 0.5175 0.5175 0.7488 0.7488 1.1750 1.1750 1.3110 1.3110 1.4109 1.4109 1.7860 1.7860 1.9398 1.9398 2.2729 2.2729 2.3313 2.3313 2.4613 2.4613 2.9225 2.9225 3.1776 3.1776 3.3292 3.3292 3.6022 3.6022 3.6865 3.6865 3.8247 3.8247 4.9673 4.9673 5.0106 5.0106 8.3786 8.3786 11.4630 11.4630 12.0598 12.0598 12.6653 12.6653 k = 0.5000 0.2887-0.0000 ( 4652 PWs) bands (ev): -22.2844 -22.2844 -17.4405 -17.4405 -14.2229 -14.2229 -14.1040 -14.1040 -13.8884 -13.8884 -12.6731 -12.6731 -12.6270 -12.6270 -6.4024 -6.4024 -5.9791 -5.9791 -5.8041 -5.8041 -5.2846 -5.2846 -2.0854 -2.0854 -1.6342 -1.6342 -1.4628 -1.4628 -0.3175 -0.3175 0.5175 0.5175 0.7488 0.7488 1.1750 1.1750 1.3110 1.3110 1.4109 1.4109 1.7860 1.7860 1.9398 1.9398 2.2729 2.2729 2.3313 2.3313 2.4613 2.4613 2.9225 2.9225 3.1776 3.1776 3.3292 3.3292 3.6022 3.6022 3.6865 3.6865 3.8247 3.8247 4.9673 4.9673 5.0106 5.0106 8.3786 8.3786 11.4630 11.4630 12.0598 12.0598 12.6653 12.6653 k = 0.4924 0.3018-0.0000 ( 4660 PWs) bands (ev): -22.2844 -22.2844 -17.4404 -17.4404 -14.2240 -14.2217 -14.1043 -14.1034 -13.8899 -13.8878 -12.6732 -12.6731 -12.6271 -12.6270 -6.4063 -6.3985 -5.9861 -5.9722 -5.8054 -5.8030 -5.2873 -5.2811 -2.0872 -2.0834 -1.6364 -1.6319 -1.4644 -1.4612 -0.3172 -0.3165 0.5173 0.5181 0.7441 0.7485 1.1696 1.1790 1.3085 1.3159 1.4103 1.4140 1.7817 1.7860 1.9399 1.9430 2.2724 2.2737 2.3285 2.3325 2.4584 2.4655 2.9225 2.9248 3.1750 3.1787 3.3254 3.3315 3.5945 3.5994 3.6894 3.6937 3.8231 3.8275 4.9651 4.9686 5.0093 5.0129 8.3786 8.3788 11.4555 11.4710 12.0467 12.0728 12.6628 12.6697 k = 0.4848 0.3149-0.0000 ( 4654 PWs) bands (ev): -22.2844 -22.2844 -17.4402 -17.4401 -14.2249 -14.2202 -14.1044 -14.1025 -13.8922 -13.8881 -12.6733 -12.6732 -12.6272 -12.6269 -6.4102 -6.3945 -5.9930 -5.9654 -5.8068 -5.8021 -5.2891 -5.2768 -2.0888 -2.0811 -1.6386 -1.6297 -1.4662 -1.4597 -0.3157 -0.3143 0.5178 0.5194 0.7348 0.7435 1.1632 1.1810 1.3087 1.3231 1.4122 1.4197 1.7735 1.7820 1.9431 1.9490 2.2719 2.2750 2.3247 2.3317 2.4570 2.4706 2.9248 2.9293 3.1710 3.1784 3.3202 3.3325 3.5798 3.5880 3.7004 3.7076 3.8230 3.8315 4.9625 4.9690 5.0092 5.0159 8.3788 8.3792 11.4485 11.4795 12.0335 12.0857 12.6621 12.6758 k = 0.4773 0.3280-0.0000 ( 4646 PWs) bands (ev): -22.2843 -22.2843 -17.4398 -17.4396 -14.2255 -14.2185 -14.1043 -14.1015 -13.8954 -13.8892 -12.6735 -12.6733 -12.6273 -12.6269 -6.4139 -6.3906 -5.9999 -5.9588 -5.8084 -5.8013 -5.2900 -5.2718 -2.0900 -2.0787 -1.6408 -1.6275 -1.4680 -1.4581 -0.3130 -0.3110 0.5188 0.5212 0.7215 0.7340 1.1560 1.1804 1.3115 1.3319 1.4166 1.4278 1.7623 1.7749 1.9489 1.9571 2.2704 2.2765 2.3212 2.3293 2.4574 2.4763 2.9292 2.9358 3.1657 3.1767 3.3138 3.3320 3.5619 3.5721 3.7154 3.7245 3.8243 3.8366 4.9595 4.9684 5.0103 5.0194 8.3791 8.3797 11.4420 11.4885 12.0202 12.0985 12.6632 12.6836 k = 0.4697 0.3412-0.0000 ( 4650 PWs) bands (ev): -22.2843 -22.2843 -17.4392 -17.4389 -14.2260 -14.2166 -14.1039 -14.1002 -13.8995 -13.8911 -12.6739 -12.6736 -12.6274 -12.6269 -6.4175 -6.3866 -6.0068 -5.9522 -5.8102 -5.8008 -5.2901 -5.2660 -2.0909 -2.0760 -1.6429 -1.6254 -1.4699 -1.4565 -0.3092 -0.3065 0.5202 0.5235 0.7051 0.7211 1.1479 1.1769 1.3162 1.3416 1.4233 1.4383 1.7493 1.7657 1.9564 1.9664 2.2671 2.2773 2.3193 2.3263 2.4593 2.4824 2.9354 2.9442 3.1591 3.1734 3.3061 3.3303 3.5424 3.5544 3.7316 3.7425 3.8272 3.8428 4.9566 4.9669 5.0123 5.0230 8.3796 8.3804 11.4360 11.4980 12.0069 12.1111 12.6661 12.6930 k = 0.4621 0.3543-0.0000 ( 4648 PWs) bands (ev): -22.2843 -22.2843 -17.4385 -17.4381 -14.2263 -14.2145 -14.1032 -14.0987 -13.9043 -13.8937 -12.6742 -12.6739 -12.6276 -12.6269 -6.4210 -6.3827 -6.0136 -5.9458 -5.8120 -5.8004 -5.2893 -5.2597 -2.0915 -2.0733 -1.6449 -1.6233 -1.4719 -1.4549 -0.3043 -0.3010 0.5218 0.5263 0.6863 0.7055 1.1388 1.1707 1.3216 1.3511 1.4322 1.4510 1.7356 1.7555 1.9651 1.9763 2.2611 2.2761 2.3198 2.3243 2.4626 2.4887 2.9433 2.9542 3.1513 3.1687 3.2973 3.3273 3.5225 3.5361 3.7477 3.7607 3.8316 3.8499 4.9537 4.9650 5.0151 5.0268 8.3802 8.3812 11.4304 11.5081 11.9935 12.1236 12.6707 12.7039 k = 0.4545 0.3674-0.0000 ( 4656 PWs) bands (ev): -22.2843 -22.2843 -17.4376 -17.4372 -14.2264 -14.2123 -14.1022 -14.0970 -13.9098 -13.8971 -12.6747 -12.6743 -12.6277 -12.6270 -6.4244 -6.3789 -6.0203 -5.9396 -5.8141 -5.8001 -5.2877 -5.2529 -2.0918 -2.0705 -1.6468 -1.6213 -1.4740 -1.4532 -0.2985 -0.2946 0.5236 0.5293 0.6663 0.6884 1.1289 1.1623 1.3265 1.3592 1.4431 1.4657 1.7221 1.7454 1.9745 1.9866 2.2527 2.2717 2.3227 2.3249 2.4671 2.4951 2.9524 2.9653 3.1425 3.1626 3.2875 3.3231 3.5026 3.5177 3.7630 3.7787 3.8377 3.8578 4.9511 4.9628 5.0182 5.0305 8.3810 8.3822 11.4252 11.5186 11.9801 12.1361 12.6769 12.7163 k = 0.4470 0.3805-0.0000 ( 4662 PWs) bands (ev): -22.2843 -22.2843 -17.4366 -17.4361 -14.2263 -14.2099 -14.1011 -14.0951 -13.9161 -13.9010 -12.6752 -12.6747 -12.6279 -12.6271 -6.4276 -6.3752 -6.0268 -5.9335 -5.8162 -5.8001 -5.2853 -5.2457 -2.0918 -2.0677 -1.6485 -1.6194 -1.4762 -1.4514 -0.2917 -0.2873 0.5253 0.5324 0.6457 0.6707 1.1183 1.1523 1.3300 1.3649 1.4554 1.4813 1.7102 1.7365 1.9844 1.9970 2.2426 2.2639 2.3272 2.3285 2.4724 2.5017 2.9625 2.9772 3.1328 3.1552 3.2768 3.3179 3.4829 3.4997 3.7772 3.7960 3.8454 3.8665 4.9487 4.9606 5.0216 5.0341 8.3819 8.3833 11.4204 11.5297 11.9668 12.1483 12.6848 12.7298 k = 0.4394 0.3936-0.0000 ( 4674 PWs) bands (ev): -22.2843 -22.2843 -17.4354 -17.4349 -14.2261 -14.2074 -14.0996 -14.0931 -13.9229 -13.9055 -12.6758 -12.6752 -12.6282 -12.6272 -6.4307 -6.3716 -6.0331 -5.9276 -5.8184 -5.8002 -5.2823 -5.2381 -2.0914 -2.0650 -1.6501 -1.6176 -1.4784 -1.4494 -0.2843 -0.2794 0.5264 0.5352 0.6255 0.6534 1.1073 1.1412 1.3316 1.3678 1.4680 1.4966 1.7010 1.7296 1.9946 2.0075 2.2315 2.2539 2.3328 2.3339 2.4785 2.5084 2.9732 2.9895 3.1224 3.1467 3.2655 3.3117 3.4638 3.4821 3.7900 3.8124 3.8546 3.8757 4.9467 4.9585 5.0249 5.0375 8.3829 8.3845 11.4161 11.5412 11.9535 12.1604 12.6940 12.7445 k = 0.4318 0.4068-0.0000 ( 4670 PWs) bands (ev): -22.2842 -22.2842 -17.4342 -17.4336 -14.2258 -14.2048 -14.0979 -14.0909 -13.9303 -13.9105 -12.6764 -12.6758 -12.6284 -12.6274 -6.4336 -6.3682 -6.0391 -5.9219 -5.8208 -5.8004 -5.2786 -5.2304 -2.0907 -2.0623 -1.6516 -1.6159 -1.4808 -1.4474 -0.2763 -0.2709 0.5266 0.5374 0.6067 0.6376 1.0960 1.1295 1.3310 1.3675 1.4798 1.5099 1.6960 1.7257 2.0053 2.0181 2.2201 2.2427 2.3390 2.3402 2.4850 2.5152 2.9842 3.0018 3.1118 3.1374 3.2538 3.3046 3.4455 3.4653 3.8016 3.8279 3.8647 3.8854 4.9450 4.9567 5.0282 5.0406 8.3841 8.3858 11.4121 11.5532 11.9402 12.1724 12.7046 12.7601 k = 0.4242 0.4199-0.0000 ( 4670 PWs) bands (ev): -22.2842 -22.2842 -17.4329 -17.4322 -14.2254 -14.2021 -14.0960 -14.0887 -13.9381 -13.9158 -12.6770 -12.6764 -12.6287 -12.6276 -6.4364 -6.3649 -6.0447 -5.9164 -5.8232 -5.8007 -5.2745 -5.2225 -2.0897 -2.0598 -1.6528 -1.6142 -1.4832 -1.4452 -0.2679 -0.2622 0.5253 0.5376 0.5908 0.6240 1.0848 1.1177 1.3280 1.3642 1.4898 1.5198 1.6963 1.7253 2.0162 2.0288 2.2088 2.2311 2.3449 2.3469 2.4920 2.5221 2.9951 3.0133 3.1014 3.1275 3.2418 3.2967 3.4282 3.4494 3.8122 3.8423 3.8755 3.8953 4.9438 4.9552 5.0312 5.0434 8.3853 8.3872 11.4085 11.5655 11.9270 12.1842 12.7164 12.7764 k = 0.4167 0.4330-0.0000 ( 4668 PWs) bands (ev): -22.2842 -22.2842 -17.4315 -17.4308 -14.2250 -14.1993 -14.0939 -14.0863 -13.9463 -13.9213 -12.6777 -12.6770 -12.6289 -12.6278 -6.4389 -6.3619 -6.0501 -5.9111 -5.8258 -5.8011 -5.2700 -5.2147 -2.0884 -2.0574 -1.6539 -1.6126 -1.4857 -1.4429 -0.2593 -0.2533 0.5222 0.5345 0.5797 0.6134 1.0739 1.1059 1.3228 1.3579 1.4971 1.5258 1.7021 1.7288 2.0275 2.0397 2.1980 2.2197 2.3503 2.3533 2.4990 2.5288 3.0058 3.0234 3.0921 3.1174 3.2296 3.2878 3.4121 3.4344 3.8220 3.8557 3.8864 3.9051 4.9429 4.9540 5.0340 5.0459 8.3866 8.3886 11.4053 11.5783 11.9140 12.1957 12.7291 12.7931 k = 0.4091 0.4461-0.0000 ( 4668 PWs) bands (ev): -22.2841 -22.2841 -17.4301 -17.4293 -14.2245 -14.1966 -14.0916 -14.0839 -13.9546 -13.9270 -12.6784 -12.6777 -12.6292 -12.6280 -6.4413 -6.3592 -6.0550 -5.9059 -5.8284 -5.8015 -5.2653 -5.2071 -2.0869 -2.0554 -1.6548 -1.6109 -1.4881 -1.4406 -0.2507 -0.2446 0.5173 0.5274 0.5741 0.6058 1.0635 1.0945 1.3156 1.3489 1.5017 1.5281 1.7127 1.7358 2.0390 2.0508 2.1881 2.2089 2.3550 2.3591 2.5057 2.5350 3.0159 3.0309 3.0851 3.1077 3.2175 3.2779 3.3973 3.4207 3.8311 3.8681 3.8971 3.9147 4.9423 4.9531 5.0365 5.0480 8.3880 8.3901 11.4025 11.5913 11.9011 12.2070 12.7426 12.8099 k = 0.4015 0.4593-0.0000 ( 4664 PWs) bands (ev): -22.2841 -22.2841 -17.4287 -17.4279 -14.2239 -14.1939 -14.0892 -14.0815 -13.9631 -13.9326 -12.6790 -12.6783 -12.6296 -12.6283 -6.4435 -6.3567 -6.0595 -5.9010 -5.8311 -5.8020 -5.2604 -5.1996 -2.0852 -2.0536 -1.6554 -1.6093 -1.4906 -1.4381 -0.2424 -0.2361 0.5111 0.5186 0.5724 0.6006 1.0539 1.0837 1.3068 1.3377 1.5039 1.5278 1.7263 1.7454 2.0507 2.0620 2.1794 2.1992 2.3589 2.3640 2.5118 2.5405 3.0250 3.0347 3.0818 3.0991 3.2056 3.2670 3.3841 3.4082 3.8397 3.8795 3.9071 3.9237 4.9421 4.9525 5.0386 5.0498 8.3894 8.3917 11.4000 11.6045 11.8883 12.2179 12.7566 12.8265 k = 0.3939 0.4724-0.0000 ( 4664 PWs) bands (ev): -22.2841 -22.2841 -17.4273 -17.4264 -14.2234 -14.1913 -14.0866 -14.0791 -13.9715 -13.9381 -12.6797 -12.6790 -12.6299 -12.6285 -6.4455 -6.3545 -6.0635 -5.8963 -5.8338 -5.8026 -5.2555 -5.1926 -2.0833 -2.0522 -1.6558 -1.6077 -1.4930 -1.4357 -0.2345 -0.2282 0.5040 0.5108 0.5721 0.5969 1.0454 1.0739 1.2966 1.3248 1.5044 1.5260 1.7414 1.7565 2.0623 2.0732 2.1725 2.1909 2.3618 2.3679 2.5167 2.5449 3.0309 3.0370 3.0814 3.0928 3.1940 3.2551 3.3724 3.3972 3.8478 3.8901 3.9163 3.9320 4.9422 4.9523 5.0404 5.0512 8.3909 8.3932 11.3979 11.6180 11.8758 12.2283 12.7708 12.8426 k = 0.3864 0.4855-0.0000 ( 4664 PWs) bands (ev): -22.2840 -22.2840 -17.4260 -17.4251 -14.2229 -14.1889 -14.0841 -14.0766 -13.9798 -13.9434 -12.6804 -12.6796 -12.6302 -12.6288 -6.4473 -6.3526 -6.0671 -5.8919 -5.8365 -5.8031 -5.2508 -5.1860 -2.0812 -2.0512 -1.6560 -1.6061 -1.4953 -1.4333 -0.2273 -0.2210 0.4973 0.5053 0.5718 0.5937 1.0382 1.0652 1.2857 1.3108 1.5037 1.5235 1.7565 1.7681 2.0735 2.0841 2.1677 2.1843 2.3638 2.3708 2.5201 2.5476 3.0303 3.0435 3.0797 3.0918 3.1830 3.2422 3.3623 3.3877 3.8554 3.8997 3.9245 3.9393 4.9425 4.9523 5.0419 5.0522 8.3923 8.3946 11.3961 11.6314 11.8635 12.2381 12.7850 12.8577 k = 0.3788 0.4986-0.0000 ( 4658 PWs) bands (ev): -22.2840 -22.2840 -17.4248 -17.4238 -14.2225 -14.1866 -14.0816 -14.0742 -13.9877 -13.9483 -12.6810 -12.6802 -12.6305 -12.6291 -6.4488 -6.3510 -6.0701 -5.8877 -5.8392 -5.8037 -5.2463 -5.1800 -2.0790 -2.0506 -1.6560 -1.6045 -1.4975 -1.4310 -0.2209 -0.2147 0.4923 0.5024 0.5707 0.5901 1.0324 1.0577 1.2746 1.2964 1.5024 1.5208 1.7706 1.7791 2.0839 2.0946 2.1653 2.1796 2.3650 2.3727 2.5218 2.5486 3.0287 3.0509 3.0761 3.0949 3.1726 3.2284 3.3537 3.3800 3.8623 3.9085 3.9315 3.9454 4.9430 4.9525 5.0431 5.0530 8.3936 8.3961 11.3947 11.6448 11.8515 12.2473 12.7987 12.8717 k = 0.3712 0.5117-0.0000 ( 4662 PWs) bands (ev): -22.2840 -22.2840 -17.4236 -17.4226 -14.2221 -14.1846 -14.0793 -14.0717 -13.9951 -13.9526 -12.6816 -12.6808 -12.6308 -12.6293 -6.4502 -6.3496 -6.0727 -5.8838 -5.8418 -5.8042 -5.2422 -5.1746 -2.0768 -2.0505 -1.6558 -1.6030 -1.4995 -1.4288 -0.2155 -0.2094 0.4896 0.5020 0.5684 0.5856 1.0280 1.0516 1.2638 1.2822 1.5009 1.5182 1.7828 1.7889 2.0932 2.1041 2.1652 2.1769 2.3654 2.3737 2.5217 2.5476 3.0287 3.0583 3.0729 3.0985 3.1630 3.2139 3.3466 3.3739 3.8685 3.9165 3.9373 3.9503 4.9436 4.9529 5.0440 5.0535 8.3949 8.3974 11.3936 11.6579 11.8398 12.2556 12.8114 12.8839 k = 0.3636 0.5249-0.0000 ( 4678 PWs) bands (ev): -22.2840 -22.2840 -17.4226 -17.4216 -14.2218 -14.1828 -14.0773 -14.0694 -14.0017 -13.9564 -12.6821 -12.6813 -12.6310 -12.6296 -6.4513 -6.3486 -6.0747 -5.8804 -5.8442 -5.8046 -5.2387 -5.1701 -2.0747 -2.0507 -1.6555 -1.6016 -1.5012 -1.4269 -0.2111 -0.2052 0.4895 0.5043 0.5647 0.5797 1.0251 1.0469 1.2541 1.2689 1.4993 1.5160 1.7928 1.7970 2.1014 2.1126 2.1669 2.1760 2.3653 2.3740 2.5200 2.5450 3.0309 3.0655 3.0707 3.1019 3.1542 3.1989 3.3410 3.3694 3.8740 3.9236 3.9419 3.9538 4.9442 4.9534 5.0446 5.0538 8.3960 8.3985 11.3928 11.6704 11.8288 12.2628 12.8227 12.8943 k = 0.3561 0.5380-0.0000 ( 4686 PWs) bands (ev): -22.2840 -22.2840 -17.4218 -17.4208 -14.2216 -14.1815 -14.0757 -14.0672 -14.0073 -13.9594 -12.6826 -12.6817 -12.6313 -12.6298 -6.4522 -6.3479 -6.0763 -5.8775 -5.8464 -5.8050 -5.2357 -5.1664 -2.0726 -2.0513 -1.6550 -1.6003 -1.5027 -1.4253 -0.2077 -0.2020 0.4919 0.5093 0.5596 0.5722 1.0235 1.0434 1.2460 1.2573 1.4979 1.5141 1.8003 1.8032 2.1089 2.1198 2.1691 2.1762 2.3648 2.3738 2.5172 2.5414 3.0352 3.0666 3.0748 3.1057 3.1465 3.1835 3.3367 3.3663 3.8785 3.9297 3.9453 3.9559 4.9448 4.9539 5.0450 5.0539 8.3969 8.3995 11.3923 11.6819 11.8187 12.2688 12.8321 12.9026 k = 0.3485 0.5511-0.0000 ( 4686 PWs) bands (ev): -22.2840 -22.2839 -17.4212 -17.4202 -14.2215 -14.1804 -14.0746 -14.0654 -14.0117 -13.9616 -12.6829 -12.6820 -12.6314 -12.6299 -6.4529 -6.3474 -6.0774 -5.8752 -5.8481 -5.8053 -5.2335 -5.1637 -2.0708 -2.0520 -1.6546 -1.5993 -1.5038 -1.4240 -0.2054 -0.1999 0.4962 0.5170 0.5535 0.5630 1.0228 1.0412 1.2402 1.2478 1.4969 1.5128 1.8054 1.8074 2.1157 2.1258 2.1706 2.1768 2.3642 2.3734 2.5142 2.5375 3.0410 3.0640 3.0813 3.1114 3.1401 3.1681 3.3338 3.3643 3.8820 3.9347 3.9475 3.9568 4.9453 4.9543 5.0452 5.0540 8.3977 8.4003 11.3920 11.6916 11.8102 12.2734 12.8390 12.9087 k = 0.3409 0.5642-0.0000 ( 4684 PWs) bands (ev): -22.2839 -22.2839 -17.4208 -17.4198 -14.2215 -14.1798 -14.0739 -14.0642 -14.0144 -13.9629 -12.6831 -12.6822 -12.6315 -12.6300 -6.4533 -6.3471 -6.0780 -5.8737 -5.8492 -5.8055 -5.2321 -5.1620 -2.0695 -2.0527 -1.6543 -1.5987 -1.5044 -1.4232 -0.2041 -0.1987 0.5012 0.5271 0.5474 0.5522 1.0227 1.0399 1.2370 1.2412 1.4962 1.5120 1.8081 1.8098 2.1217 2.1298 2.1707 2.1769 2.3637 2.3731 2.5118 2.5346 3.0472 3.0607 3.0853 3.1204 3.1356 3.1532 3.3322 3.3632 3.8843 3.9384 3.9487 3.9567 4.9456 4.9546 5.0453 5.0540 8.3982 8.4008 11.3919 11.6983 11.8043 12.2763 12.8431 12.9124 k = 0.3333 0.5774-0.0000 ( 4680 PWs) bands (ev): -22.2839 -22.2839 -17.4207 -17.4196 -14.2214 -14.1796 -14.0737 -14.0638 -14.0153 -13.9633 -12.6832 -12.6823 -12.6316 -12.6301 -6.4534 -6.3471 -6.0782 -5.8732 -5.8495 -5.8056 -5.2316 -5.1615 -2.0690 -2.0530 -1.6542 -1.5985 -1.5047 -1.4230 -0.2037 -0.1984 0.5038 0.5377 0.5413 0.5446 1.0228 1.0396 1.2363 1.2385 1.4960 1.5117 1.8089 1.8105 2.1247 2.1312 2.1703 2.1765 2.3635 2.3729 2.5109 2.5335 3.0505 3.0587 3.0865 3.1283 3.1338 3.1436 3.3317 3.3629 3.8851 3.9398 3.9491 3.9564 4.9457 4.9547 5.0454 5.0540 8.3984 8.4010 11.3918 11.7008 11.8021 12.2773 12.8445 12.9137 k = 0.3333 0.5774-0.0000 ( 4680 PWs) bands (ev): -22.2839 -22.2839 -17.4207 -17.4196 -14.2214 -14.1796 -14.0737 -14.0638 -14.0153 -13.9633 -12.6832 -12.6823 -12.6316 -12.6301 -6.4534 -6.3471 -6.0782 -5.8732 -5.8495 -5.8056 -5.2316 -5.1615 -2.0690 -2.0530 -1.6542 -1.5985 -1.5047 -1.4230 -0.2037 -0.1984 0.5038 0.5377 0.5413 0.5446 1.0228 1.0396 1.2363 1.2385 1.4960 1.5117 1.8089 1.8105 2.1247 2.1312 2.1703 2.1765 2.3635 2.3729 2.5109 2.5335 3.0505 3.0587 3.0865 3.1283 3.1338 3.1436 3.3317 3.3629 3.8851 3.9398 3.9491 3.9564 4.9457 4.9547 5.0454 5.0540 8.3984 8.4010 11.3918 11.7008 11.8021 12.2773 12.8445 12.9137 k = 0.3256 0.5639-0.0000 ( 4686 PWs) bands (ev): -22.2839 -22.2839 -17.4208 -17.4198 -14.2214 -14.1798 -14.0739 -14.0642 -14.0144 -13.9629 -12.6831 -12.6822 -12.6315 -12.6300 -6.4532 -6.3471 -6.0780 -5.8737 -5.8492 -5.8055 -5.2321 -5.1621 -2.0696 -2.0526 -1.6543 -1.5987 -1.5044 -1.4233 -0.2041 -0.1987 0.5001 0.5253 0.5480 0.5543 1.0227 1.0399 1.2372 1.2413 1.4962 1.5120 1.8082 1.8099 2.1200 2.1293 2.1714 2.1780 2.3637 2.3731 2.5120 2.5348 3.0473 3.0601 3.0854 3.1189 3.1360 3.1544 3.3322 3.3632 3.8841 3.9381 3.9488 3.9570 4.9456 4.9546 5.0453 5.0540 8.3981 8.4008 11.3918 11.6981 11.8044 12.2762 12.8432 12.9123 k = 0.3178 0.5505-0.0000 ( 4682 PWs) bands (ev): -22.2840 -22.2839 -17.4213 -17.4202 -14.2214 -14.1804 -14.0744 -14.0652 -14.0118 -13.9616 -12.6828 -12.6819 -12.6314 -12.6299 -6.4528 -6.3473 -6.0774 -5.8749 -5.8483 -5.8053 -5.2338 -5.1640 -2.0713 -2.0514 -1.6550 -1.5994 -1.5039 -1.4243 -0.2052 -0.1996 0.4904 0.5102 0.5581 0.5700 1.0225 1.0411 1.2412 1.2481 1.4969 1.5128 1.8064 1.8082 2.1070 2.1205 2.1758 2.1831 2.3642 2.3736 2.5157 2.5388 3.0414 3.0607 3.0823 3.1056 3.1426 3.1720 3.3336 3.3641 3.8812 3.9331 3.9481 3.9584 4.9451 4.9541 5.0453 5.0541 8.3975 8.4001 11.3918 11.6903 11.8110 12.2727 12.8398 12.9085 k = 0.3101 0.5371-0.0000 ( 4686 PWs) bands (ev): -22.2840 -22.2840 -17.4221 -17.4211 -14.2214 -14.1814 -14.0752 -14.0664 -14.0080 -13.9594 -12.6823 -12.6815 -12.6312 -12.6297 -6.4521 -6.3476 -6.0765 -5.8767 -5.8472 -5.8048 -5.2366 -5.1672 -2.0739 -2.0497 -1.6564 -1.6004 -1.5030 -1.4261 -0.2067 -0.2008 0.4774 0.4942 0.5713 0.5865 1.0226 1.0433 1.2488 1.2581 1.4980 1.5140 1.8038 1.8058 2.0880 2.1042 2.1835 2.1911 2.3650 2.3743 2.5218 2.5453 3.0345 3.0585 3.0779 3.0935 3.1524 3.1910 3.3357 3.3655 3.8762 3.9257 3.9473 3.9602 4.9443 4.9533 5.0454 5.0543 8.3962 8.3988 11.3915 11.6786 11.8206 12.2666 12.8348 12.9023 k = 0.3023 0.5236-0.0000 ( 4690 PWs) bands (ev): -22.2840 -22.2840 -17.4233 -17.4223 -14.2213 -14.1826 -14.0762 -14.0677 -14.0032 -13.9566 -12.6817 -12.6808 -12.6308 -12.6294 -6.4510 -6.3479 -6.0753 -5.8789 -5.8460 -5.8041 -5.2406 -5.1717 -2.0771 -2.0475 -1.6585 -1.6016 -1.5021 -1.4288 -0.2087 -0.2023 0.4629 0.4777 0.5856 0.6033 1.0236 1.0467 1.2594 1.2707 1.4994 1.5154 1.8009 1.8033 2.0650 2.0825 2.1931 2.2010 2.3659 2.3753 2.5297 2.5534 3.0271 3.0530 3.0731 3.0841 3.1637 3.2102 3.3386 3.3677 3.8691 3.9162 3.9466 3.9619 4.9432 4.9521 5.0455 5.0547 8.3944 8.3970 11.3909 11.6641 11.8319 12.2580 12.8290 12.8943 k = 0.2946 0.5102-0.0000 ( 4690 PWs) bands (ev): -22.2840 -22.2840 -17.4248 -17.4238 -14.2211 -14.1840 -14.0771 -14.0688 -13.9977 -13.9532 -12.6807 -12.6799 -12.6304 -12.6289 -6.4497 -6.3481 -6.0739 -5.8812 -5.8450 -5.8031 -5.2459 -5.1776 -2.0806 -2.0451 -1.6615 -1.6030 -1.5012 -1.4323 -0.2109 -0.2039 0.4477 0.4609 0.6000 0.6194 1.0260 1.0520 1.2725 1.2851 1.5009 1.5170 1.7982 1.8011 2.0397 2.0574 2.2035 2.2120 2.3671 2.3766 2.5388 2.5626 3.0197 3.0448 3.0683 3.0777 3.1750 3.2289 3.3422 3.3709 3.8598 3.9052 3.9461 3.9633 4.9417 4.9505 5.0457 5.0551 8.3918 8.3944 11.3899 11.6473 11.8442 12.2468 12.8228 12.8850 k = 0.2868 0.4968-0.0000 ( 4670 PWs) bands (ev): -22.2841 -22.2841 -17.4267 -17.4258 -14.2208 -14.1856 -14.0781 -14.0697 -13.9916 -13.9492 -12.6796 -12.6787 -12.6298 -12.6284 -6.4480 -6.3483 -6.0722 -5.8836 -5.8441 -5.8020 -5.2524 -5.1849 -2.0845 -2.0425 -1.6655 -1.6043 -1.5006 -1.4369 -0.2132 -0.2057 0.4322 0.4441 0.6136 0.6344 1.0308 1.0597 1.2874 1.3007 1.5024 1.5184 1.7960 1.7994 2.0133 2.0306 2.2144 2.2239 2.3684 2.3782 2.5482 2.5720 3.0126 3.0353 3.0640 3.0734 3.1855 3.2462 3.3466 3.3752 3.8489 3.8929 3.9459 3.9646 4.9398 4.9485 5.0461 5.0558 8.3885 8.3910 11.3883 11.6289 11.8569 12.2333 12.8168 12.8750 k = 0.2791 0.4834-0.0000 ( 4674 PWs) bands (ev): -22.2841 -22.2841 -17.4290 -17.4281 -14.2203 -14.1873 -14.0789 -14.0702 -13.9851 -13.9447 -12.6781 -12.6772 -12.6292 -12.6277 -6.4459 -6.3484 -6.0703 -5.8861 -5.8434 -5.8006 -5.2603 -5.1936 -2.0884 -2.0397 -1.6705 -1.6057 -1.5005 -1.4424 -0.2156 -0.2074 0.4168 0.4276 0.6256 0.6474 1.0383 1.0701 1.3031 1.3163 1.5039 1.5196 1.7946 1.7987 1.9870 2.0033 2.2254 2.2361 2.3701 2.3802 2.5572 2.5807 3.0061 3.0259 3.0601 3.0702 3.1944 3.2613 3.3520 3.3807 3.8363 3.8795 3.9458 3.9656 4.9376 4.9461 5.0465 5.0565 8.3843 8.3867 11.3860 11.6091 11.8697 12.2178 12.8111 12.8645 k = 0.2713 0.4699-0.0000 ( 4674 PWs) bands (ev): -22.2842 -22.2842 -17.4318 -17.4309 -14.2198 -14.1891 -14.0794 -14.0703 -13.9784 -13.9399 -12.6765 -12.6755 -12.6284 -12.6270 -6.4435 -6.3484 -6.0683 -5.8885 -5.8429 -5.7991 -5.2693 -5.2036 -2.0925 -2.0369 -1.6765 -1.6071 -1.5009 -1.4490 -0.2180 -0.2091 0.4017 0.4115 0.6356 0.6580 1.0491 1.0839 1.3186 1.3310 1.5055 1.5203 1.7944 1.7991 1.9621 1.9769 2.2366 2.2487 2.3722 2.3825 2.5650 2.5881 3.0005 3.0175 3.0570 3.0676 3.2015 3.2734 3.3586 3.3874 3.8227 3.8654 3.9460 3.9664 4.9351 4.9433 5.0471 5.0574 8.3790 8.3813 11.3829 11.5882 11.8822 12.2006 12.8059 12.8539 k = 0.2636 0.4565-0.0000 ( 4668 PWs) bands (ev): -22.2842 -22.2842 -17.4349 -17.4340 -14.2193 -14.1908 -14.0797 -14.0698 -13.9713 -13.9347 -12.6745 -12.6735 -12.6274 -12.6261 -6.4408 -6.3481 -6.0662 -5.8910 -5.8425 -5.7974 -5.2797 -5.2149 -2.0965 -2.0340 -1.6833 -1.6085 -1.5021 -1.4566 -0.2204 -0.2108 0.3871 0.3960 0.6431 0.6658 1.0634 1.1011 1.3328 1.3433 1.5075 1.5210 1.7954 1.8007 1.9399 1.9527 2.2481 2.2615 2.3747 2.3852 2.5711 2.5938 2.9961 3.0106 3.0545 3.0654 3.2068 3.2823 3.3666 3.3947 3.8083 3.8511 3.9463 3.9671 4.9323 4.9403 5.0479 5.0584 8.3726 8.3749 11.3789 11.5664 11.8943 12.1822 12.8012 12.8433 k = 0.2558 0.4431-0.0000 ( 4672 PWs) bands (ev): -22.2843 -22.2843 -17.4384 -17.4375 -14.2188 -14.1927 -14.0795 -14.0689 -13.9641 -13.9293 -12.6723 -12.6712 -12.6264 -12.6251 -6.4377 -6.3477 -6.0640 -5.8934 -5.8424 -5.7956 -5.2913 -5.2276 -2.1006 -2.0310 -1.6908 -1.6099 -1.5041 -1.4652 -0.2227 -0.2125 0.3731 0.3812 0.6480 0.6707 1.0813 1.1216 1.3442 1.3517 1.5106 1.5223 1.7970 1.8027 1.9216 1.9324 2.2598 2.2743 2.3777 2.3883 2.5750 2.5971 2.9930 3.0056 3.0529 3.0635 3.2103 3.2880 3.3755 3.4021 3.7936 3.8367 3.9468 3.9678 4.9294 4.9369 5.0487 5.0594 8.3650 8.3672 11.3739 11.5438 11.9057 12.1630 12.7968 12.8327 k = 0.2481 0.4297-0.0000 ( 4672 PWs) bands (ev): -22.2844 -22.2844 -17.4423 -17.4415 -14.2183 -14.1946 -14.0788 -14.0673 -13.9568 -13.9236 -12.6698 -12.6687 -12.6252 -12.6239 -6.4342 -6.3470 -6.0617 -5.8958 -5.8424 -5.7938 -5.3041 -5.2415 -2.1046 -2.0279 -1.6990 -1.6114 -1.5071 -1.4749 -0.2249 -0.2141 0.3599 0.3672 0.6502 0.6727 1.1024 1.1451 1.3506 1.3554 1.5156 1.5256 1.7979 1.8038 1.9093 1.9184 2.2717 2.2873 2.3810 2.3917 2.5764 2.5980 2.9912 3.0024 3.0520 3.0620 3.2124 3.2912 3.3845 3.4091 3.7791 3.8228 3.9476 3.9683 4.9264 4.9334 5.0497 5.0606 8.3562 8.3583 11.3680 11.5208 11.9161 12.1437 12.7924 12.8221 k = 0.2403 0.4162-0.0000 ( 4672 PWs) bands (ev): -22.2845 -22.2845 -17.4465 -17.4458 -14.2181 -14.1965 -14.0775 -14.0650 -13.9494 -13.9178 -12.6670 -12.6659 -12.6239 -12.6227 -6.4303 -6.3461 -6.0594 -5.8981 -5.8424 -5.7920 -5.3180 -5.2566 -2.1085 -2.0249 -1.7076 -1.6131 -1.5110 -1.4855 -0.2270 -0.2158 0.3475 0.3540 0.6501 0.6720 1.1263 1.1710 1.3492 1.3552 1.5227 1.5322 1.7964 1.8023 1.9047 1.9128 2.2839 2.3005 2.3848 2.3954 2.5751 2.5963 2.9905 3.0012 3.0521 3.0610 3.2133 3.2927 3.3929 3.4150 3.7652 3.8098 3.9485 3.9689 4.9234 4.9299 5.0508 5.0618 8.3459 8.3479 11.3610 11.4976 11.9254 12.1248 12.7877 12.8115 k = 0.2326 0.4028-0.0000 ( 4674 PWs) bands (ev): -22.2846 -22.2846 -17.4511 -17.4504 -14.2182 -14.1986 -14.0754 -14.0621 -13.9419 -13.9119 -12.6640 -12.6629 -12.6225 -12.6213 -6.4261 -6.3449 -6.0571 -5.9005 -5.8425 -5.7901 -5.3330 -5.2729 -2.1124 -2.0220 -1.7165 -1.6148 -1.5160 -1.4969 -0.2291 -0.2174 0.3359 0.3416 0.6478 0.6691 1.1523 1.1985 1.3404 1.3508 1.5321 1.5423 1.7916 1.7975 1.9088 1.9166 2.2964 2.3137 2.3891 2.3994 2.5712 2.5918 2.9907 3.0014 3.0532 3.0606 3.2133 3.2928 3.4001 3.4195 3.7524 3.7980 3.9495 3.9693 4.9205 4.9264 5.0520 5.0631 8.3341 8.3360 11.3532 11.4743 11.9332 12.1067 12.7820 12.8011 k = 0.2248 0.3894-0.0000 ( 4674 PWs) bands (ev): -22.2847 -22.2847 -17.4561 -17.4554 -14.2187 -14.2009 -14.0724 -14.0583 -13.9343 -13.9059 -12.6608 -12.6596 -12.6210 -12.6198 -6.4214 -6.3433 -6.0548 -5.9028 -5.8426 -5.7884 -5.3490 -5.2902 -2.1161 -2.0192 -1.7255 -1.6168 -1.5223 -1.5088 -0.2311 -0.2190 0.3251 0.3302 0.6435 0.6642 1.1795 1.2262 1.3266 1.3420 1.5438 1.5550 1.7841 1.7909 1.9206 1.9284 2.3090 2.3267 2.3941 2.4040 2.5646 2.5846 2.9915 3.0029 3.0553 3.0610 3.2125 3.2921 3.4056 3.4222 3.7408 3.7877 3.9506 3.9696 4.9179 4.9231 5.0533 5.0644 8.3207 8.3225 11.3445 11.4513 11.9392 12.0899 12.7745 12.7912 k = 0.2171 0.3759-0.0000 ( 4674 PWs) bands (ev): -22.2848 -22.2848 -17.4614 -17.4608 -14.2196 -14.2034 -14.0686 -14.0537 -13.9268 -13.8998 -12.6573 -12.6561 -12.6193 -12.6182 -6.4164 -6.3415 -6.0525 -5.9052 -5.8427 -5.7867 -5.3660 -5.3086 -2.1198 -2.0167 -1.7345 -1.6189 -1.5306 -1.5204 -0.2331 -0.2207 0.3151 0.3195 0.6376 0.6577 1.2065 1.2512 1.3103 1.3318 1.5571 1.5689 1.7756 1.7848 1.9381 1.9460 2.3215 2.3391 2.4005 2.4094 2.5556 2.5747 2.9927 3.0051 3.0587 3.0625 3.2112 3.2908 3.4093 3.4234 3.7308 3.7791 3.9517 3.9698 4.9157 4.9202 5.0546 5.0657 8.3057 8.3074 11.3351 11.4288 11.9430 12.0750 12.7644 12.7821 k = 0.2093 0.3625-0.0000 ( 4672 PWs) bands (ev): -22.2850 -22.2850 -17.4669 -17.4664 -14.2210 -14.2061 -14.0637 -14.0484 -13.9193 -13.8938 -12.6537 -12.6524 -12.6176 -12.6164 -6.4110 -6.3393 -6.0502 -5.9076 -5.8428 -5.7850 -5.3839 -5.3279 -2.1235 -2.0147 -1.7432 -1.6212 -1.5419 -1.5303 -0.2350 -0.2225 0.3059 0.3097 0.6304 0.6498 1.2307 1.2650 1.2953 1.3281 1.5713 1.5832 1.7681 1.7805 1.9596 1.9677 2.3332 2.3501 2.4090 2.4162 2.5441 2.5623 2.9939 3.0078 3.0631 3.0654 3.2095 3.2889 3.4115 3.4231 3.7225 3.7721 3.9527 3.9697 4.9142 4.9178 5.0560 5.0670 8.2890 8.2906 11.3252 11.4070 11.9440 12.0624 12.7517 12.7735 k = 0.2016 0.3491-0.0000 ( 4664 PWs) bands (ev): -22.2851 -22.2851 -17.4727 -17.4722 -14.2230 -14.2092 -14.0578 -14.0422 -13.9118 -13.8877 -12.6499 -12.6485 -12.6157 -12.6146 -6.4051 -6.3367 -6.0480 -5.9100 -5.8428 -5.7835 -5.4026 -5.3480 -2.1271 -2.0131 -1.7515 -1.6237 -1.5556 -1.5391 -0.2370 -0.2244 0.2976 0.3008 0.6220 0.6408 1.2417 1.2601 1.2902 1.3402 1.5857 1.5972 1.7634 1.7791 1.9837 1.9922 2.3435 2.3591 2.4202 2.4250 2.5304 2.5475 2.9950 3.0105 3.0680 3.0703 3.2074 3.2864 3.4125 3.4220 3.7158 3.7666 3.9534 3.9691 4.9133 4.9161 5.0575 5.0684 8.2706 8.2721 11.3149 11.3861 11.9420 12.0524 12.7371 12.7645 k = 0.1938 0.3357-0.0000 ( 4650 PWs) bands (ev): -22.2852 -22.2852 -17.4787 -17.4783 -14.2255 -14.2125 -14.0510 -14.0352 -13.9044 -13.8817 -12.6459 -12.6444 -12.6137 -12.6127 -6.3989 -6.3338 -6.0458 -5.9125 -5.8427 -5.7821 -5.4219 -5.3689 -2.1306 -2.0123 -1.7591 -1.6264 -1.5705 -1.5475 -0.2391 -0.2264 0.2900 0.2928 0.6127 0.6309 1.2295 1.2463 1.3026 1.3599 1.6002 1.6110 1.7626 1.7813 2.0094 2.0185 2.3518 2.3660 2.4341 2.4359 2.5148 2.5309 2.9959 3.0133 3.0734 3.0769 3.2049 3.2832 3.4128 3.4208 3.7105 3.7625 3.9536 3.9680 4.9134 4.9152 5.0590 5.0697 8.2505 8.2519 11.3046 11.3664 11.9371 12.0448 12.7208 12.7546 k = 0.1860 0.3222-0.0000 ( 4648 PWs) bands (ev): -22.2854 -22.2853 -17.4850 -17.4845 -14.2284 -14.2161 -14.0432 -14.0276 -13.8971 -13.8757 -12.6418 -12.6403 -12.6117 -12.6107 -6.3923 -6.3306 -6.0436 -5.9151 -5.8425 -5.7809 -5.4419 -5.3905 -2.1342 -2.0125 -1.7659 -1.6295 -1.5860 -1.5558 -0.2414 -0.2287 0.2832 0.2856 0.6027 0.6202 1.2094 1.2277 1.3203 1.3780 1.6154 1.6251 1.7663 1.7873 2.0361 2.0460 2.3578 2.3710 2.4474 2.4491 2.4988 2.5141 2.9968 3.0160 3.0795 3.0847 3.2023 3.2795 3.4131 3.4199 3.7065 3.7594 3.9532 3.9661 4.9145 4.9154 5.0605 5.0710 8.2287 8.2299 11.2945 11.3480 11.9295 12.0392 12.7032 12.7434 k = 0.1783 0.3088-0.0000 ( 4642 PWs) bands (ev): -22.2855 -22.2855 -17.4913 -17.4909 -14.2318 -14.2200 -14.0346 -14.0193 -13.8898 -13.8698 -12.6375 -12.6360 -12.6096 -12.6086 -6.3852 -6.3269 -6.0415 -5.9178 -5.8422 -5.7798 -5.4623 -5.4126 -2.1378 -2.0137 -1.7717 -1.6331 -1.6018 -1.5639 -0.2439 -0.2313 0.2773 0.2795 0.5920 0.6089 1.1882 1.2077 1.3352 1.3906 1.6324 1.6408 1.7745 1.7972 2.0632 2.0740 2.3617 2.3749 2.4520 2.4578 2.4898 2.5040 2.9975 3.0185 3.0860 3.0930 3.1999 3.2754 3.4138 3.4198 3.7035 3.7571 3.9519 3.9633 4.9164 4.9170 5.0620 5.0723 8.2052 8.2063 11.2847 11.3311 11.9199 12.0348 12.6843 12.7309 k = 0.1705 0.2954-0.0000 ( 4650 PWs) bands (ev): -22.2857 -22.2857 -17.4978 -17.4975 -14.2355 -14.2242 -14.0253 -14.0104 -13.8827 -13.8640 -12.6333 -12.6317 -12.6074 -12.6064 -6.3778 -6.3229 -6.0395 -5.9207 -5.8418 -5.7788 -5.4832 -5.4352 -2.1415 -2.0161 -1.7763 -1.6377 -1.6173 -1.5714 -0.2468 -0.2343 0.2723 0.2744 0.5809 0.5972 1.1675 1.1878 1.3448 1.3959 1.6523 1.6597 1.7867 1.8102 2.0900 2.1021 2.3639 2.3780 2.4389 2.4465 2.5003 2.5118 2.9984 3.0208 3.0925 3.1014 3.1985 3.2714 3.4156 3.4210 3.7014 3.7552 3.9495 3.9594 4.9191 4.9203 5.0635 5.0737 8.1801 8.1811 11.2755 11.3159 11.9089 12.0308 12.6646 12.7172 k = 0.1628 0.2820-0.0000 ( 4642 PWs) bands (ev): -22.2858 -22.2858 -17.5043 -17.5040 -14.2395 -14.2286 -14.0154 -14.0010 -13.8756 -13.8583 -12.6289 -12.6274 -12.6051 -12.6042 -6.3700 -6.3185 -6.0376 -5.9238 -5.8412 -5.7781 -5.5043 -5.4581 -2.1452 -2.0199 -1.7798 -1.6447 -1.6309 -1.5782 -0.2501 -0.2378 0.2683 0.2704 0.5694 0.5851 1.1478 1.1686 1.3482 1.3937 1.6751 1.6832 1.8018 1.8257 2.1163 2.1298 2.3639 2.3801 2.4171 2.4246 2.5197 2.5303 2.9994 3.0228 3.0980 3.1094 3.1991 3.2681 3.4186 3.4234 3.6998 3.7536 3.9458 3.9543 4.9229 4.9250 5.0651 5.0750 8.1535 8.1543 11.2671 11.3023 11.8970 12.0266 12.6441 12.7022 k = 0.1550 0.2685-0.0000 ( 4638 PWs) bands (ev): -22.2860 -22.2860 -17.5109 -17.5107 -14.2437 -14.2332 -14.0050 -13.9913 -13.8687 -13.8527 -12.6246 -12.6230 -12.6029 -12.6020 -6.3618 -6.3137 -6.0358 -5.9271 -5.8405 -5.7775 -5.5255 -5.4813 -2.1490 -2.0250 -1.7822 -1.6567 -1.6400 -1.5839 -0.2539 -0.2418 0.2656 0.2678 0.5577 0.5727 1.1296 1.1506 1.3455 1.3850 1.7007 1.7111 1.8190 1.8431 2.1414 2.1567 2.3589 2.3787 2.3945 2.4043 2.5414 2.5517 3.0004 3.0245 3.1016 3.1165 3.2029 3.2665 3.4229 3.4272 3.6987 3.7522 3.9407 3.9479 4.9281 4.9310 5.0668 5.0764 8.1255 8.1263 11.2597 11.2906 11.8845 12.0216 12.6232 12.6862 k = 0.1473 0.2551-0.0000 ( 4640 PWs) bands (ev): -22.2861 -22.2861 -17.5175 -17.5173 -14.2480 -14.2380 -13.9942 -13.9813 -13.8618 -13.8472 -12.6203 -12.6187 -12.6005 -12.5997 -6.3532 -6.3085 -6.0341 -5.9307 -5.8397 -5.7771 -5.5468 -5.5047 -2.1529 -2.0315 -1.7837 -1.6717 -1.6462 -1.5883 -0.2582 -0.2466 0.2641 0.2664 0.5458 0.5601 1.1128 1.1340 1.3376 1.3713 1.7290 1.7422 1.8375 1.8616 2.1645 2.1821 2.3424 2.3601 2.3847 2.3969 2.5634 2.5737 3.0015 3.0260 3.1025 3.1224 3.2108 3.2674 3.4286 3.4323 3.6979 3.7508 3.9341 3.9402 4.9346 4.9383 5.0685 5.0778 8.0962 8.0969 11.2534 11.2806 11.8715 12.0155 12.6023 12.6693 k = 0.1395 0.2417-0.0000 ( 4640 PWs) bands (ev): -22.2863 -22.2863 -17.5240 -17.5238 -14.2524 -14.2429 -13.9832 -13.9711 -13.8551 -13.8418 -12.6160 -12.6144 -12.5982 -12.5974 -6.3442 -6.3029 -6.0325 -5.9346 -5.8387 -5.7769 -5.5680 -5.5280 -2.1568 -2.0391 -1.7846 -1.6874 -1.6515 -1.5915 -0.2633 -0.2520 0.2641 0.2665 0.5338 0.5475 1.0978 1.1189 1.3254 1.3538 1.7595 1.7752 1.8567 1.8807 2.1841 2.2048 2.3178 2.3333 2.3841 2.3980 2.5849 2.5950 3.0027 3.0275 3.1011 3.1267 3.2229 3.2716 3.4355 3.4386 3.6974 3.7492 3.9257 3.9311 4.9424 4.9467 5.0702 5.0792 8.0660 8.0666 11.2484 11.2726 11.8583 12.0080 12.5818 12.6518 k = 0.1318 0.2283-0.0000 ( 4634 PWs) bands (ev): -22.2864 -22.2864 -17.5305 -17.5303 -14.2569 -14.2478 -13.9722 -13.9609 -13.8485 -13.8365 -12.6118 -12.6102 -12.5959 -12.5951 -6.3349 -6.2970 -6.0311 -5.9389 -5.8376 -5.7769 -5.5890 -5.5512 -2.1608 -2.0476 -1.7853 -1.7031 -1.6561 -1.5935 -0.2690 -0.2582 0.2656 0.2681 0.5219 0.5348 1.0845 1.1055 1.3099 1.3339 1.7915 1.8093 1.8761 1.9000 2.1965 2.2207 2.2951 2.3105 2.3859 2.4015 2.6049 2.6147 3.0037 3.0290 3.0980 3.1289 3.2387 3.2798 3.4434 3.4460 3.6970 3.7476 3.9157 3.9207 4.9514 4.9563 5.0721 5.0808 8.0349 8.0354 11.2448 11.2663 11.8449 11.9988 12.5619 12.6338 k = 0.1240 0.2148-0.0000 ( 4634 PWs) bands (ev): -22.2866 -22.2866 -17.5368 -17.5366 -14.2613 -14.2527 -13.9612 -13.9508 -13.8419 -13.8313 -12.6078 -12.6061 -12.5936 -12.5928 -6.3252 -6.2906 -6.0300 -5.9435 -5.8363 -5.7770 -5.6095 -5.5741 -2.1649 -2.0571 -1.7863 -1.7184 -1.6597 -1.5945 -0.2754 -0.2651 0.2687 0.2712 0.5100 0.5221 1.0730 1.0936 1.2922 1.3123 1.8243 1.8434 1.8951 1.9188 2.1951 2.2183 2.2878 2.3002 2.3889 2.4060 2.6225 2.6322 3.0047 3.0310 3.0943 3.1291 3.2576 3.2919 3.4521 3.4544 3.6967 3.7458 3.9040 3.9090 4.9614 4.9668 5.0740 5.0824 8.0032 8.0037 11.2425 11.2619 11.8314 11.9879 12.5430 12.6157 k = 0.1163 0.2014-0.0000 ( 4634 PWs) bands (ev): -22.2867 -22.2867 -17.5429 -17.5428 -14.2657 -14.2575 -13.9504 -13.9409 -13.8355 -13.8262 -12.6038 -12.6022 -12.5913 -12.5906 -6.3152 -6.2839 -6.0290 -5.9486 -5.8349 -5.7774 -5.6296 -5.5967 -2.1690 -2.0671 -1.7879 -1.7333 -1.6618 -1.5946 -0.2824 -0.2727 0.2733 0.2758 0.4982 0.5095 1.0633 1.0834 1.2728 1.2897 1.8572 1.8766 1.9135 1.9366 2.1777 2.1964 2.2978 2.3063 2.3927 2.4114 2.6371 2.6466 3.0055 3.0337 3.0910 3.1274 3.2790 3.3077 3.4616 3.4636 3.6964 3.7438 3.8908 3.8961 4.9724 4.9780 5.0760 5.0840 7.9712 7.9716 11.2416 11.2591 11.8178 11.9752 12.5254 12.5976 k = 0.1085 0.1880-0.0000 ( 4642 PWs) bands (ev): -22.2869 -22.2869 -17.5488 -17.5487 -14.2700 -14.2623 -13.9399 -13.9313 -13.8292 -13.8211 -12.6000 -12.5984 -12.5891 -12.5884 -6.3049 -6.2769 -6.0284 -5.9542 -5.8334 -5.7780 -5.6490 -5.6187 -2.1731 -2.0775 -1.7905 -1.7475 -1.6622 -1.5940 -0.2900 -0.2809 0.2793 0.2819 0.4866 0.4971 1.0553 1.0749 1.2525 1.2667 1.8887 1.9070 1.9317 1.9527 2.1525 2.1689 2.3131 2.3221 2.3971 2.4174 2.6481 2.6577 3.0060 3.0373 3.0888 3.1243 3.3024 3.3265 3.4717 3.4734 3.6961 3.7415 3.8763 3.8821 4.9839 4.9898 5.0781 5.0858 7.9391 7.9394 11.2422 11.2580 11.8042 11.9606 12.5095 12.5798 k = 0.1008 0.1745-0.0000 ( 4642 PWs) bands (ev): -22.2870 -22.2870 -17.5545 -17.5545 -14.2742 -14.2670 -13.9299 -13.9221 -13.8230 -13.8162 -12.5964 -12.5948 -12.5869 -12.5863 -6.2943 -6.2695 -6.0281 -5.9602 -5.8317 -5.7788 -5.6677 -5.6401 -2.1770 -2.0882 -1.7942 -1.7611 -1.6608 -1.5928 -0.2980 -0.2895 0.2867 0.2893 0.4753 0.4850 1.0491 1.0679 1.2317 1.2438 1.9149 1.9306 1.9521 1.9678 2.1274 2.1430 2.3300 2.3405 2.4022 2.4241 2.6552 2.6652 3.0058 3.0418 3.0885 3.1203 3.3274 3.3477 3.4822 3.4838 3.6956 3.7391 3.8607 3.8670 4.9960 5.0019 5.0803 5.0876 7.9072 7.9075 11.2441 11.2584 11.7906 11.9443 12.4954 12.5626 k = 0.0930 0.1611-0.0000 ( 4656 PWs) bands (ev): -22.2872 -22.2872 -17.5600 -17.5599 -14.2781 -14.2714 -13.9204 -13.9134 -13.8169 -13.8113 -12.5930 -12.5915 -12.5848 -12.5842 -6.2835 -6.2617 -6.0283 -5.9669 -5.8300 -5.7798 -5.6854 -5.6605 -2.1808 -2.0989 -1.7988 -1.7739 -1.6576 -1.5913 -0.3062 -0.2985 0.2952 0.2979 0.4643 0.4732 1.0444 1.0624 1.2110 1.2214 1.9260 1.9449 1.9729 1.9891 2.1084 2.1229 2.3474 2.3591 2.4077 2.4315 2.6585 2.6690 3.0047 3.0464 3.0904 3.1160 3.3535 3.3708 3.4931 3.4945 3.6950 3.7363 3.8441 3.8510 5.0082 5.0141 5.0826 5.0895 7.8759 7.8762 11.2474 11.2602 11.7772 11.9263 12.4833 12.5461 k = 0.0853 0.1477-0.0000 ( 4649 PWs) bands (ev): -22.2873 -22.2873 -17.5651 -17.5650 -14.2819 -14.2757 -13.9116 -13.9053 -13.8110 -13.8065 -12.5897 -12.5883 -12.5828 -12.5822 -6.2724 -6.2537 -6.0289 -5.9740 -5.8281 -5.7810 -5.7020 -5.6800 -2.1844 -2.1095 -1.8043 -1.7858 -1.6531 -1.5895 -0.3147 -0.3076 0.3047 0.3075 0.4537 0.4618 1.0414 1.0584 1.1907 1.1997 1.9217 1.9405 1.9983 2.0164 2.0998 2.1120 2.3646 2.3769 2.4138 2.4396 2.6581 2.6693 3.0023 3.0504 3.0948 3.1128 3.3803 3.3950 3.5041 3.5055 3.6943 3.7334 3.8270 3.8343 5.0205 5.0263 5.0850 5.0915 7.8455 7.8457 11.2519 11.2633 11.7641 11.9069 12.4734 12.5307 k = 0.0775 0.1343-0.0000 ( 4649 PWs) bands (ev): -22.2874 -22.2874 -17.5698 -17.5698 -14.2854 -14.2797 -13.9035 -13.8979 -13.8053 -13.8018 -12.5868 -12.5854 -12.5808 -12.5804 -6.2612 -6.2453 -6.0301 -5.9817 -5.8261 -5.7825 -5.7174 -5.6982 -2.1878 -2.1199 -1.8102 -1.7968 -1.6474 -1.5876 -0.3231 -0.3166 0.3149 0.3177 0.4436 0.4509 1.0398 1.0557 1.1712 1.1791 1.9062 1.9215 2.0261 2.0438 2.1010 2.1107 2.3812 2.3937 2.4203 2.4485 2.6545 2.6665 2.9987 3.0518 3.1015 3.1122 3.4072 3.4199 3.5150 3.5166 3.6932 3.7300 3.8094 3.8172 5.0326 5.0381 5.0875 5.0936 7.8163 7.8165 11.2574 11.2674 11.7515 11.8863 12.4655 12.5164 k = 0.0698 0.1208-0.0000 ( 4651 PWs) bands (ev): -22.2875 -22.2875 -17.5742 -17.5742 -14.2886 -14.2835 -13.8961 -13.8911 -13.7999 -13.7972 -12.5840 -12.5828 -12.5790 -12.5786 -6.2498 -6.2368 -6.0319 -5.9899 -5.8241 -5.7842 -5.7315 -5.7150 -2.1907 -2.1299 -1.8163 -1.8069 -1.6409 -1.5856 -0.3312 -0.3255 0.3255 0.3283 0.4341 0.4406 1.0395 1.0542 1.1528 1.1598 1.8833 1.8951 2.0532 2.0697 2.1085 2.1167 2.3971 2.4091 2.4272 2.4581 2.6482 2.6611 2.9941 3.0493 3.1100 3.1154 3.4339 3.4448 3.5256 3.5278 3.6919 3.7264 3.7917 3.7999 5.0442 5.0493 5.0901 5.0956 7.7885 7.7887 11.2639 11.2724 11.7394 11.8648 12.4597 12.5035 k = 0.0620 0.1074-0.0000 ( 4653 PWs) bands (ev): -22.2876 -22.2876 -17.5783 -17.5782 -14.2915 -14.2869 -13.8895 -13.8851 -13.7947 -13.7928 -12.5816 -12.5804 -12.5774 -12.5770 -6.2385 -6.2281 -6.0343 -5.9985 -5.8221 -5.7861 -5.7441 -5.7303 -2.1933 -2.1394 -1.8224 -1.8160 -1.6340 -1.5839 -0.3390 -0.3339 0.3362 0.3390 0.4252 0.4309 1.0404 1.0536 1.1358 1.1420 1.8566 1.8658 2.0785 2.0933 2.1193 2.1267 2.4121 2.4232 2.4347 2.4683 2.6398 2.6536 2.9888 3.0432 3.1197 3.1221 3.4598 3.4693 3.5360 3.5388 3.6902 3.7224 3.7741 3.7826 5.0551 5.0598 5.0927 5.0977 7.7627 7.7628 11.2710 11.2781 11.7281 11.8429 12.4559 12.4921 k = 0.0543 0.0940-0.0000 ( 4641 PWs) bands (ev): -22.2877 -22.2877 -17.5818 -17.5818 -14.2941 -14.2901 -13.8838 -13.8799 -13.7900 -13.7887 -12.5794 -12.5783 -12.5758 -12.5755 -6.2273 -6.2193 -6.0374 -6.0075 -5.8200 -5.7884 -5.7551 -5.7438 -2.1954 -2.1484 -1.8282 -1.8240 -1.6269 -1.5824 -0.3463 -0.3418 0.3467 0.3495 0.4172 0.4221 1.0423 1.0538 1.1206 1.1260 1.8289 1.8362 2.1017 2.1142 2.1317 2.1383 2.4260 2.4358 2.4429 2.4789 2.6298 2.6445 2.9832 3.0345 3.1299 3.1310 3.4846 3.4927 3.5459 3.5494 3.6882 3.7181 3.7570 3.7658 5.0651 5.0692 5.0955 5.0998 7.7390 7.7391 11.2785 11.2843 11.7179 11.8210 12.4538 12.4823 k = 0.0465 0.0806-0.0000 ( 4641 PWs) bands (ev): -22.2878 -22.2878 -17.5850 -17.5850 -14.2964 -14.2929 -13.8788 -13.8755 -13.7857 -13.7848 -12.5775 -12.5766 -12.5744 -12.5742 -6.2164 -6.2106 -6.0411 -6.0166 -5.8180 -5.7912 -5.7643 -5.7555 -2.1969 -2.1568 -1.8336 -1.8310 -1.6199 -1.5813 -0.3528 -0.3491 0.3567 0.3593 0.4100 0.4142 1.0447 1.0543 1.1074 1.1119 1.8020 1.8080 2.1222 2.1318 2.1448 2.1502 2.4386 2.4462 2.4526 2.4895 2.6188 2.6344 2.9777 3.0243 3.1400 3.1410 3.5076 3.5146 3.5554 3.5594 3.6859 3.7133 3.7407 3.7497 5.0740 5.0774 5.0983 5.1018 7.7178 7.7179 11.2862 11.2906 11.7091 11.7994 12.4533 12.4743 k = 0.0388 0.0671-0.0000 ( 4655 PWs) bands (ev): -22.2879 -22.2879 -17.5877 -17.5877 -14.2982 -14.2954 -13.8746 -13.8718 -13.7819 -13.7814 -12.5759 -12.5752 -12.5732 -12.5730 -6.2060 -6.2022 -6.0453 -6.0256 -5.8160 -5.7943 -5.7717 -5.7654 -2.1978 -2.1645 -1.8384 -1.8369 -1.6131 -1.5806 -0.3586 -0.3554 0.3658 0.3682 0.4038 0.4073 1.0474 1.0548 1.0966 1.1000 1.7773 1.7821 2.1398 2.1463 2.1576 2.1613 2.4498 2.4547 2.4635 2.4996 2.6074 2.6235 2.9728 3.0136 3.1497 3.1507 3.5287 3.5344 3.5643 3.5686 3.6833 3.7079 3.7258 3.7346 5.0816 5.0841 5.1012 5.1038 7.6993 7.6994 11.2936 11.2967 11.7020 11.7787 12.4539 12.4680 k = 0.0310 0.0537-0.0000 ( 4659 PWs) bands (ev): -22.2879 -22.2879 -17.5900 -17.5900 -14.2998 -14.2974 -13.8712 -13.8689 -13.7787 -13.7785 -12.5747 -12.5741 -12.5721 -12.5720 -6.1965 -6.1943 -6.0495 -6.0343 -5.8142 -5.7977 -5.7772 -5.7733 -2.1980 -2.1715 -1.8425 -1.8417 -1.6068 -1.5806 -0.3634 -0.3609 0.3738 0.3759 0.3986 0.4014 1.0498 1.0547 1.0884 1.0908 1.7558 1.7595 2.1543 2.1579 2.1692 2.1712 2.4595 2.4623 2.4748 2.5085 2.5963 2.6126 2.9690 3.0029 3.1585 3.1595 3.5472 3.5516 3.5728 3.5769 3.6806 3.7015 3.7132 3.7210 5.0877 5.0892 5.1041 5.1058 7.6838 7.6839 11.3004 11.3025 11.6970 11.7594 12.4552 12.4635 k = 0.0233 0.0403-0.0000 ( 4655 PWs) bands (ev): -22.2880 -22.2880 -17.5917 -17.5917 -14.3009 -14.2991 -13.8685 -13.8667 -13.7762 -13.7761 -12.5737 -12.5732 -12.5712 -12.5711 -6.1883 -6.1872 -6.0534 -6.0422 -5.8125 -5.8011 -5.7812 -5.7793 -2.1975 -2.1777 -1.8458 -1.8455 -1.6009 -1.5812 -0.3671 -0.3653 0.3804 0.3820 0.3946 0.3967 1.0515 1.0540 1.0828 1.0846 1.7382 1.7410 2.1656 2.1672 2.1785 2.1794 2.4676 2.4689 2.4857 2.5154 2.5863 2.6020 2.9666 2.9929 3.1660 3.1668 3.5626 3.5654 3.5809 3.5841 3.6780 3.6933 3.7044 3.7095 5.0922 5.0929 5.1069 5.1077 7.6715 7.6716 11.3061 11.3074 11.6944 11.7419 12.4567 12.4606 k = 0.0155 0.0269-0.0000 ( 4653 PWs) bands (ev): -22.2880 -22.2880 -17.5930 -17.5930 -14.3016 -14.3004 -13.8665 -13.8653 -13.7744 -13.7744 -12.5729 -12.5727 -12.5706 -12.5705 -6.1818 -6.1815 -6.0564 -6.0490 -5.8110 -5.8040 -5.7840 -5.7834 -2.1962 -2.1830 -1.8482 -1.8481 -1.5957 -1.5826 -0.3698 -0.3685 0.3854 0.3865 0.3918 0.3931 1.0519 1.0527 1.0795 1.0813 1.7253 1.7272 2.1735 2.1740 2.1853 2.1856 2.4738 2.4742 2.4960 2.5192 2.5791 2.5923 2.9660 2.9839 3.1718 3.1723 3.5741 3.5750 3.5886 3.5900 3.6757 3.6848 3.6988 3.7007 5.0951 5.0954 5.1092 5.1095 7.6627 7.6627 11.3106 11.3113 11.6946 11.7266 12.4578 12.4591 k = 0.0078 0.0134-0.0000 ( 4649 PWs) bands (ev): -22.2880 -22.2880 -17.5937 -17.5937 -14.3019 -14.3013 -13.8651 -13.8645 -13.7733 -13.7733 -12.5725 -12.5723 -12.5702 -12.5702 -6.1777 -6.1776 -6.0579 -6.0541 -5.8096 -5.8063 -5.7858 -5.7857 -2.1942 -2.1876 -1.8497 -1.8497 -1.5913 -1.5847 -0.3713 -0.3706 0.3885 0.3891 0.3903 0.3909 1.0516 1.0517 1.0784 1.0795 1.7175 1.7185 2.1781 2.1784 2.1894 2.1894 2.4777 2.4777 2.5056 2.5186 2.5762 2.5841 2.9674 2.9765 3.1754 3.1757 3.5806 3.5808 3.5943 3.5946 3.6742 3.6782 3.6952 3.6954 5.0967 5.0968 5.1107 5.1107 7.6573 7.6573 11.3134 11.3137 11.6979 11.7140 12.4584 12.4586 k = 0.0000 0.0000 0.0000 ( 4651 PWs) bands (ev): -22.2880 -22.2880 -17.5940 -17.5940 -14.3018 -14.3018 -13.8645 -13.8645 -13.7729 -13.7729 -12.5723 -12.5723 -12.5700 -12.5700 -6.1763 -6.1763 -6.0572 -6.0572 -5.8081 -5.8081 -5.7864 -5.7864 -2.1913 -2.1913 -1.8502 -1.8502 -1.5876 -1.5876 -0.3715 -0.3715 0.3896 0.3896 0.3902 0.3902 1.0513 1.0513 1.0786 1.0786 1.7152 1.7152 2.1797 2.1797 2.1907 2.1907 2.4790 2.4790 2.5136 2.5136 2.5783 2.5783 2.9709 2.9709 3.1767 3.1767 3.5826 3.5826 3.5964 3.5964 3.6747 3.6747 3.6938 3.6938 5.0972 5.0972 5.1112 5.1112 7.6555 7.6555 11.3144 11.3144 11.7044 11.7044 12.4585 12.4585 k = 0.0000 0.0000 0.0000 ( 4651 PWs) bands (ev): -22.2880 -22.2880 -17.5940 -17.5940 -14.3018 -14.3018 -13.8645 -13.8645 -13.7729 -13.7729 -12.5723 -12.5723 -12.5700 -12.5700 -6.1763 -6.1763 -6.0572 -6.0572 -5.8081 -5.8081 -5.7864 -5.7864 -2.1913 -2.1913 -1.8502 -1.8502 -1.5876 -1.5876 -0.3715 -0.3715 0.3896 0.3896 0.3902 0.3902 1.0513 1.0513 1.0786 1.0786 1.7152 1.7152 2.1797 2.1797 2.1907 2.1907 2.4790 2.4790 2.5136 2.5136 2.5783 2.5783 2.9709 2.9709 3.1767 3.1767 3.5826 3.5826 3.5964 3.5964 3.6747 3.6747 3.6938 3.6938 5.0972 5.0972 5.1112 5.1112 7.6555 7.6555 11.3144 11.3144 11.7044 11.7044 12.4585 12.4585 k = 0.0000 0.0000 0.0152 ( 4657 PWs) bands (ev): -22.2880 -22.2880 -17.5940 -17.5940 -14.3017 -14.3017 -13.8648 -13.8641 -13.7733 -13.7725 -12.5730 -12.5715 -12.5707 -12.5693 -6.1882 -6.1882 -6.0516 -6.0473 -5.8044 -5.8026 -5.7894 -5.7837 -2.1958 -2.1861 -1.8552 -1.8442 -1.5890 -1.5873 -0.3710 -0.3710 0.3857 0.3863 0.3932 0.3939 1.0494 1.0532 1.0767 1.0807 1.7156 1.7157 2.1732 2.1848 2.1850 2.1952 2.4742 2.4842 2.5091 2.5181 2.5766 2.5769 2.9708 2.9710 3.1762 3.1763 3.5825 3.5827 3.5963 3.5965 3.6722 3.6773 3.6913 3.6964 5.0962 5.0982 5.1101 5.1122 7.6574 7.6574 11.3150 11.3152 11.6996 11.7101 12.4522 12.4662 k = 0.0000 0.0000 0.0305 ( 4651 PWs) bands (ev): -22.2880 -22.2880 -17.5942 -17.5942 -14.3014 -14.3014 -13.8652 -13.8637 -13.7736 -13.7721 -12.5737 -12.5714 -12.5708 -12.5686 -6.2169 -6.2167 -6.0377 -6.0290 -5.7926 -5.7912 -5.7883 -5.7814 -2.1995 -2.1803 -1.8591 -1.8372 -1.5914 -1.5881 -0.3694 -0.3693 0.3818 0.3823 0.3966 0.3974 1.0478 1.0553 1.0750 1.0828 1.7168 1.7170 2.1654 2.1775 2.1890 2.1983 2.4700 2.4898 2.5050 2.5226 2.5719 2.5728 2.9709 2.9712 3.1746 3.1749 3.5823 3.5827 3.5962 3.5965 3.6699 3.6801 3.6890 3.6992 5.0951 5.0990 5.1090 5.1131 7.6634 7.6634 11.3169 11.3173 11.6958 11.7165 12.4474 12.4751 k = 0.0000 0.0000 0.0457 ( 4645 PWs) bands (ev): -22.2880 -22.2880 -17.5944 -17.5944 -14.3008 -14.3008 -13.8655 -13.8634 -13.7740 -13.7717 -12.5744 -12.5721 -12.5701 -12.5679 -6.2534 -6.2529 -6.0243 -6.0106 -5.7961 -5.7795 -5.7689 -5.7657 -2.2025 -2.1740 -1.8618 -1.8294 -1.5950 -1.5899 -0.3666 -0.3666 0.3777 0.3782 0.3997 0.4006 1.0463 1.0574 1.0734 1.0851 1.7189 1.7192 2.1565 2.1688 2.1917 2.2000 2.4665 2.4955 2.5011 2.5265 2.5643 2.5661 2.9710 2.9715 3.1720 3.1725 3.5821 3.5827 3.5961 3.5965 3.6678 3.6830 3.6869 3.7021 5.0941 5.0998 5.1079 5.1140 7.6731 7.6731 11.3201 11.3207 11.6930 11.7236 12.4441 12.4852 k = 0.0000 0.0000 0.0610 ( 4639 PWs) bands (ev): -22.2879 -22.2879 -17.5948 -17.5948 -14.3001 -14.3000 -13.8657 -13.8630 -13.7743 -13.7714 -12.5751 -12.5728 -12.5694 -12.5672 -6.2932 -6.2925 -6.0146 -5.9953 -5.7998 -5.7780 -5.7388 -5.7357 -2.2045 -2.1673 -1.8633 -1.8209 -1.5995 -1.5927 -0.3629 -0.3628 0.3736 0.3740 0.4025 0.4035 1.0450 1.0596 1.0720 1.0874 1.7218 1.7221 2.1464 2.1589 2.1931 2.2005 2.4636 2.4976 2.5013 2.5288 2.5540 2.5581 2.9712 2.9718 3.1685 3.1692 3.5819 3.5826 3.5959 3.5964 3.6661 3.6850 3.6860 3.7051 5.0930 5.1005 5.1068 5.1147 7.6865 7.6865 11.3245 11.3255 11.6913 11.7313 12.4424 12.4963 k = 0.0000 0.0000 0.0762 ( 4639 PWs) bands (ev): -22.2879 -22.2879 -17.5952 -17.5952 -14.2991 -14.2990 -13.8660 -13.8626 -13.7746 -13.7710 -12.5757 -12.5734 -12.5688 -12.5666 -6.3345 -6.3335 -6.0086 -5.9838 -5.8036 -5.7769 -5.7026 -5.7001 -2.2057 -2.1603 -1.8637 -1.8116 -1.6050 -1.5964 -0.3581 -0.3581 0.3695 0.3698 0.4050 0.4061 1.0438 1.0617 1.0708 1.0897 1.7255 1.7259 2.1355 2.1479 2.1932 2.1996 2.4614 2.4941 2.5070 2.5261 2.5413 2.5522 2.9714 2.9722 3.1641 3.1650 3.5816 3.5825 3.5957 3.5962 3.6646 3.6835 3.6891 3.7080 5.0918 5.1011 5.1057 5.1154 7.7035 7.7035 11.3302 11.3314 11.6908 11.7394 12.4422 12.5083 k = 0.0000 0.0000 0.0914 ( 4651 PWs) bands (ev): -22.2878 -22.2878 -17.5957 -17.5957 -14.2979 -14.2978 -13.8662 -13.8622 -13.7748 -13.7706 -12.5762 -12.5739 -12.5681 -12.5660 -6.3760 -6.3750 -6.0055 -5.9756 -5.8075 -5.7763 -5.6621 -5.6602 -2.2060 -2.1533 -1.8628 -1.8019 -1.6114 -1.6010 -0.3524 -0.3523 0.3654 0.3656 0.4072 0.4083 1.0429 1.0639 1.0699 1.0920 1.7299 1.7304 2.1238 2.1360 2.1922 2.1976 2.4599 2.4900 2.5124 2.5152 2.5271 2.5515 2.9716 2.9726 3.1589 3.1599 3.5813 3.5822 3.5954 3.5960 3.6634 3.6822 3.6921 3.7110 5.0907 5.1015 5.1045 5.1159 7.7238 7.7238 11.3368 11.3384 11.6915 11.7479 12.4434 12.5210 k = 0.0000 0.0000 0.1067 ( 4639 PWs) bands (ev): -22.2878 -22.2878 -17.5963 -17.5963 -14.2966 -14.2965 -13.8663 -13.8619 -13.7751 -13.7703 -12.5768 -12.5744 -12.5676 -12.5655 -6.4173 -6.4163 -6.0045 -5.9698 -5.8114 -5.7762 -5.6190 -5.6176 -2.2054 -2.1462 -1.8607 -1.7918 -1.6186 -1.6063 -0.3458 -0.3457 0.3614 0.3616 0.4089 0.4101 1.0423 1.0661 1.0692 1.0943 1.7350 1.7356 2.1115 2.1234 2.1901 2.1945 2.4591 2.4836 2.4986 2.5135 2.5175 2.5538 2.9719 2.9730 3.1528 3.1540 3.5809 3.5819 3.5951 3.5957 3.6627 3.6814 3.6952 3.7139 5.0896 5.1019 5.1035 5.1163 7.7471 7.7471 11.3445 11.3464 11.6934 11.7568 12.4462 12.5343 k = 0.0000 0.0000 0.1219 ( 4633 PWs) bands (ev): -22.2877 -22.2877 -17.5970 -17.5970 -14.2951 -14.2949 -13.8665 -13.8615 -13.7753 -13.7700 -12.5772 -12.5748 -12.5671 -12.5650 -6.4579 -6.4569 -6.0049 -5.9660 -5.8153 -5.7765 -5.5742 -5.5732 -2.2040 -2.1393 -1.8574 -1.7813 -1.6265 -1.6123 -0.3383 -0.3382 0.3575 0.3577 0.4102 0.4115 1.0418 1.0681 1.0687 1.0965 1.7408 1.7415 2.0989 2.1103 2.1869 2.1903 2.4590 2.4713 2.4788 2.5042 2.5222 2.5568 2.9722 2.9736 3.1460 3.1473 3.5804 3.5814 3.5947 3.5953 3.6624 3.6809 3.6982 3.7168 5.0886 5.1021 5.1025 5.1166 7.7732 7.7732 11.3529 11.3553 11.6967 11.7658 12.4505 12.5478 k = 0.0000 0.0000 0.1371 ( 4645 PWs) bands (ev): -22.2876 -22.2876 -17.5977 -17.5977 -14.2934 -14.2933 -13.8665 -13.8612 -13.7754 -13.7697 -12.5776 -12.5752 -12.5666 -12.5646 -6.4975 -6.4965 -6.0062 -5.9638 -5.8191 -5.7774 -5.5287 -5.5281 -2.2018 -2.1327 -1.8529 -1.7708 -1.6349 -1.6188 -0.3302 -0.3301 0.3538 0.3539 0.4110 0.4125 1.0416 1.0685 1.0700 1.0985 1.7472 1.7479 2.0861 2.0969 2.1826 2.1852 2.4525 2.4566 2.4594 2.4999 2.5264 2.5597 2.9726 2.9741 3.1386 3.1400 3.5798 3.5808 3.5942 3.5948 3.6624 3.6808 3.7011 3.7196 5.0876 5.1015 5.1021 5.1167 7.8016 7.8016 11.3619 11.3648 11.7013 11.7750 12.4560 12.5407 k = 0.0000 0.0000 0.1524 ( 4645 PWs) bands (ev): -22.2876 -22.2876 -17.5984 -17.5984 -14.2917 -14.2915 -13.8666 -13.8609 -13.7755 -13.7695 -12.5778 -12.5755 -12.5663 -12.5642 -6.5359 -6.5349 -6.0080 -5.9627 -5.8228 -5.7786 -5.4831 -5.4827 -2.1989 -2.1266 -1.8474 -1.7603 -1.6437 -1.6257 -0.3213 -0.3212 0.3503 0.3504 0.4114 0.4129 1.0416 1.0685 1.0718 1.1005 1.7541 1.7549 2.0734 2.0836 2.1774 2.1792 2.4300 2.4327 2.4603 2.4984 2.5300 2.5623 2.9730 2.9746 3.1305 3.1321 3.5792 3.5802 3.5936 3.5943 3.6629 3.6811 3.7039 3.7223 5.0867 5.1006 5.1021 5.1168 7.8320 7.8320 11.3713 11.3749 11.7073 11.7844 12.4629 12.5219 k = 0.0000 0.0000 0.1676 ( 4645 PWs) bands (ev): -22.2875 -22.2875 -17.5993 -17.5993 -14.2898 -14.2897 -13.8666 -13.8607 -13.7756 -13.7693 -12.5780 -12.5757 -12.5660 -12.5639 -6.5728 -6.5718 -6.0101 -5.9627 -5.8262 -5.7803 -5.4379 -5.4377 -2.1953 -2.1210 -1.8408 -1.7499 -1.6527 -1.6328 -0.3120 -0.3119 0.3471 0.3471 0.4113 0.4129 1.0419 1.0688 1.0734 1.1022 1.7614 1.7623 2.0609 2.0704 2.1713 2.1723 2.4054 2.4074 2.4617 2.4982 2.5330 2.5646 2.9733 2.9751 3.1220 3.1238 3.5784 3.5795 3.5930 3.5936 3.6638 3.6818 3.7066 3.7248 5.0859 5.0999 5.1020 5.1168 7.8641 7.8641 11.3809 11.3853 11.7149 11.7941 12.4709 12.5023 k = 0.0000 0.0000 0.1829 ( 4645 PWs) bands (ev): -22.2874 -22.2874 -17.6001 -17.6001 -14.2879 -14.2877 -13.8665 -13.8604 -13.7756 -13.7691 -12.5782 -12.5758 -12.5657 -12.5637 -6.6082 -6.6072 -6.0122 -5.9634 -5.8295 -5.7823 -5.3934 -5.3934 -2.1913 -2.1161 -1.8333 -1.7398 -1.6619 -1.6401 -0.3022 -0.3020 0.3442 0.3442 0.4107 0.4124 1.0424 1.0693 1.0749 1.1037 1.7691 1.7701 2.0490 2.0577 2.1644 2.1647 2.3796 2.3811 2.4636 2.4987 2.5354 2.5663 2.9737 2.9757 3.1132 3.1151 3.5776 3.5786 3.5923 3.5930 3.6652 3.6830 3.7091 3.7272 5.0852 5.0993 5.1017 5.1166 7.8973 7.8973 11.3905 11.3956 11.7240 11.8039 12.4800 12.4818 k = 0.0000 0.0000 0.1981 ( 4645 PWs) bands (ev): -22.2873 -22.2873 -17.6010 -17.6009 -14.2860 -14.2858 -13.8664 -13.8603 -13.7755 -13.7690 -12.5782 -12.5759 -12.5656 -12.5636 -6.6418 -6.6409 -6.0144 -5.9648 -5.8325 -5.7848 -5.3502 -5.3500 -2.1868 -2.1120 -1.8250 -1.7301 -1.6710 -1.6474 -0.2920 -0.2919 0.3416 0.3416 0.4095 0.4113 1.0430 1.0700 1.0761 1.1050 1.7771 1.7781 2.0378 2.0457 2.1563 2.1566 2.3530 2.3543 2.4658 2.4999 2.5372 2.5674 2.9742 2.9764 3.1040 3.1061 3.5768 3.5778 3.5915 3.5922 3.6669 3.6845 3.7114 3.7293 5.0846 5.0988 5.1014 5.1163 7.9313 7.9313 11.3997 11.4058 11.7348 11.8142 12.4608 12.4824 k = 0.0000 0.0000 0.2133 ( 4657 PWs) bands (ev): -22.2872 -22.2872 -17.6018 -17.6018 -14.2840 -14.2838 -13.8663 -13.8601 -13.7755 -13.7689 -12.5782 -12.5758 -12.5656 -12.5636 -6.6736 -6.6728 -6.0164 -5.9668 -5.8352 -5.7876 -5.3084 -5.3082 -2.1820 -2.1087 -1.8159 -1.7210 -1.6798 -1.6546 -0.2817 -0.2816 0.3395 0.3395 0.4079 0.4098 1.0439 1.0710 1.0771 1.1061 1.7853 1.7863 2.0274 2.0345 2.1473 2.1482 2.3261 2.3272 2.4683 2.5014 2.5384 2.5681 2.9746 2.9769 3.0947 3.0969 3.5758 3.5768 3.5907 3.5914 3.6690 3.6864 3.7134 3.7311 5.0841 5.0984 5.1009 5.1159 7.9656 7.9657 11.4084 11.4154 11.7473 11.8251 12.4394 12.4611 k = 0.0000 0.0000 0.2286 ( 4669 PWs) bands (ev): -22.2871 -22.2871 -17.6027 -17.6027 -14.2821 -14.2819 -13.8661 -13.8600 -13.7753 -13.7689 -12.5780 -12.5757 -12.5656 -12.5636 -6.7034 -6.7026 -6.0182 -5.9693 -5.8376 -5.7907 -5.2683 -5.2680 -2.1770 -2.1064 -1.8062 -1.7125 -1.6882 -1.6617 -0.2714 -0.2712 0.3378 0.3378 0.4057 0.4077 1.0450 1.0721 1.0777 1.1068 1.7936 1.7946 2.0181 2.0243 2.1376 2.1390 2.2993 2.3002 2.4710 2.5034 2.5390 2.5681 2.9751 2.9775 3.0853 3.0877 3.5749 3.5758 3.5898 3.5906 3.6714 3.6886 3.7151 3.7327 5.0838 5.0981 5.1003 5.1154 7.9998 7.9998 11.4164 11.4243 11.7616 11.8366 12.4177 12.4390 k = 0.0000 0.0000 0.2438 ( 4651 PWs) bands (ev): -22.2870 -22.2870 -17.6035 -17.6035 -14.2801 -14.2799 -13.8658 -13.8600 -13.7752 -13.7689 -12.5778 -12.5755 -12.5657 -12.5637 -6.7311 -6.7304 -6.0198 -5.9722 -5.8396 -5.7941 -5.2302 -5.2299 -2.1719 -2.1049 -1.7961 -1.7048 -1.6960 -1.6685 -0.2611 -0.2610 0.3366 0.3366 0.4031 0.4051 1.0463 1.0735 1.0782 1.1074 1.8019 1.8030 2.0101 2.0154 2.1276 2.1293 2.2729 2.2738 2.4741 2.5057 2.5390 2.5678 2.9757 2.9783 3.0761 3.0786 3.5739 3.5749 3.5889 3.5897 3.6741 3.6911 3.7166 3.7340 5.0836 5.0980 5.0997 5.1148 8.0334 8.0335 11.4234 11.4322 11.7777 11.8491 12.3959 12.4163 k = 0.0000 0.0000 0.2590 ( 4645 PWs) bands (ev): -22.2869 -22.2869 -17.6043 -17.6043 -14.2783 -14.2781 -13.8656 -13.8599 -13.7750 -13.7689 -12.5775 -12.5752 -12.5659 -12.5639 -6.7568 -6.7561 -6.0210 -5.9754 -5.8411 -5.7976 -5.1944 -5.1941 -2.1669 -2.1043 -1.7856 -1.7031 -1.6980 -1.6750 -0.2510 -0.2509 0.3358 0.3358 0.4000 0.4021 1.0478 1.0750 1.0784 1.1076 1.8101 1.8111 2.0034 2.0078 2.1170 2.1192 2.2474 2.2481 2.4773 2.5082 2.5386 2.5669 2.9762 2.9789 3.0671 3.0697 3.5730 3.5739 3.5881 3.5889 3.6771 3.6939 3.7178 3.7350 5.0836 5.0981 5.0989 5.1141 8.0660 8.0661 11.4295 11.4389 11.7955 11.8627 12.3741 12.3931 k = 0.0000 0.0000 0.2743 ( 4645 PWs) bands (ev): -22.2869 -22.2869 -17.6051 -17.6051 -14.2765 -14.2763 -13.8653 -13.8600 -13.7747 -13.7691 -12.5771 -12.5748 -12.5662 -12.5642 -6.7802 -6.7796 -6.0218 -5.9788 -5.8423 -5.8013 -5.1612 -5.1608 -2.1620 -2.1045 -1.7748 -1.7093 -1.6922 -1.6812 -0.2414 -0.2412 0.3356 0.3357 0.3966 0.3986 1.0494 1.0767 1.0784 1.1075 1.8180 1.8190 1.9981 2.0016 2.1062 2.1086 2.2230 2.2237 2.4807 2.5110 2.5376 2.5656 2.9767 2.9795 3.0583 3.0611 3.5721 3.5729 3.5872 3.5880 3.6802 3.6970 3.7186 3.7356 5.0836 5.0981 5.0982 5.1133 8.0971 8.0972 11.4345 11.4443 11.8149 11.8773 12.3522 12.3693 k = 0.0000 0.0000 0.2895 ( 4651 PWs) bands (ev): -22.2868 -22.2868 -17.6058 -17.6058 -14.2749 -14.2747 -13.8650 -13.8600 -13.7745 -13.7692 -12.5767 -12.5744 -12.5666 -12.5646 -6.8013 -6.8008 -6.0223 -5.9825 -5.8431 -5.8052 -5.1307 -5.1303 -2.1573 -2.1055 -1.7641 -1.7146 -1.6875 -1.6871 -0.2322 -0.2321 0.3359 0.3360 0.3927 0.3947 1.0511 1.0780 1.0785 1.1071 1.8255 1.8265 1.9942 1.9970 2.0951 2.0977 2.2001 2.2007 2.4843 2.5140 2.5362 2.5639 2.9772 2.9800 3.0501 3.0529 3.5712 3.5720 3.5864 3.5872 3.6836 3.7001 3.7190 3.7359 5.0838 5.0973 5.0985 5.1125 8.1263 8.1264 11.4384 11.4484 11.8358 11.8931 12.3305 12.3451 k = 0.0000 0.0000 0.3048 ( 4657 PWs) bands (ev): -22.2867 -22.2867 -17.6064 -17.6064 -14.2733 -14.2732 -13.8646 -13.8602 -13.7742 -13.7694 -12.5762 -12.5739 -12.5670 -12.5650 -6.8201 -6.8196 -6.0223 -5.9863 -5.8434 -5.8091 -5.1032 -5.1028 -2.1528 -2.1072 -1.7534 -1.7188 -1.6925 -1.6839 -0.2237 -0.2236 0.3368 0.3369 0.3885 0.3905 1.0530 1.0774 1.0805 1.1065 1.8326 1.8336 1.9920 1.9939 2.0840 2.0867 2.1789 2.1795 2.4879 2.5171 2.5344 2.5619 2.9776 2.9805 3.0424 3.0453 3.5704 3.5712 3.5857 3.5864 3.6869 3.7034 3.7190 3.7358 5.0842 5.0963 5.0989 5.1116 8.1532 8.1532 11.4415 11.4512 11.8579 11.9098 12.3088 12.3207 k = 0.0000 0.0000 0.3200 ( 4626 PWs) bands (ev): -22.2866 -22.2866 -17.6070 -17.6070 -14.2720 -14.2719 -13.8643 -13.8603 -13.7738 -13.7696 -12.5756 -12.5734 -12.5675 -12.5655 -6.8364 -6.8360 -6.0219 -5.9901 -5.8432 -5.8129 -5.0788 -5.0785 -2.1486 -2.1093 -1.7430 -1.7220 -1.6977 -1.6816 -0.2160 -0.2159 0.3382 0.3384 0.3841 0.3860 1.0550 1.0766 1.0826 1.1056 1.8391 1.8401 1.9913 1.9924 2.0729 2.0757 2.1599 2.1604 2.4917 2.5204 2.5323 2.5596 2.9782 2.9810 3.0355 3.0383 3.5698 3.5704 3.5851 3.5857 3.6904 3.7068 3.7187 3.7354 5.0846 5.0954 5.0995 5.1107 8.1774 8.1775 11.4438 11.4529 11.8810 11.9273 12.2876 12.2964 k = 0.0000 0.0000 0.3352 ( 4638 PWs) bands (ev): -22.2866 -22.2866 -17.6075 -17.6075 -14.2708 -14.2707 -13.8639 -13.8605 -13.7735 -13.7699 -12.5750 -12.5728 -12.5681 -12.5660 -6.8504 -6.8500 -6.0211 -5.9939 -5.8426 -5.8168 -5.0579 -5.0576 -2.1447 -2.1119 -1.7330 -1.7241 -1.7025 -1.6804 -0.2092 -0.2091 0.3401 0.3404 0.3795 0.3813 1.0569 1.0755 1.0847 1.1044 1.8450 1.8458 1.9920 1.9925 2.0619 2.0648 2.1433 2.1436 2.4954 2.5238 2.5298 2.5570 2.9787 2.9814 3.0295 3.0321 3.5691 3.5697 3.5845 3.5851 3.6939 3.7101 3.7180 3.7345 5.0852 5.0944 5.1001 5.1097 8.1986 8.1986 11.4455 11.4536 11.9044 11.9449 12.2668 12.2725 k = 0.0000 0.0000 0.3505 ( 4650 PWs) bands (ev): -22.2866 -22.2866 -17.6080 -17.6080 -14.2698 -14.2697 -13.8635 -13.8608 -13.7731 -13.7702 -12.5744 -12.5721 -12.5687 -12.5666 -6.8618 -6.8615 -6.0199 -5.9977 -5.8416 -5.8205 -5.0406 -5.0403 -2.1410 -2.1148 -1.7252 -1.7235 -1.7070 -1.6806 -0.2035 -0.2034 0.3425 0.3430 0.3748 0.3765 1.0590 1.0741 1.0869 1.1030 1.8500 1.8507 1.9941 1.9943 2.0512 2.0541 2.1292 2.1295 2.4992 2.5271 2.5272 2.5541 2.9792 2.9817 3.0243 3.0268 3.5686 3.5691 3.5841 3.5845 3.6972 3.7134 3.7169 3.7333 5.0858 5.0933 5.1008 5.1086 8.2163 8.2163 11.4467 11.4535 11.9276 11.9618 12.2469 12.2497 k = 0.0000 0.0000 0.3657 ( 4662 PWs) bands (ev): -22.2865 -22.2865 -17.6083 -17.6083 -14.2690 -14.2689 -13.8631 -13.8610 -13.7727 -13.7705 -12.5737 -12.5715 -12.5693 -12.5673 -6.8707 -6.8705 -6.0183 -6.0014 -5.8402 -5.8241 -5.0269 -5.0267 -2.1375 -2.1179 -1.7253 -1.7147 -1.7111 -1.6820 -0.1989 -0.1989 0.3454 0.3460 0.3701 0.3716 1.0611 1.0726 1.0891 1.1014 1.8540 1.8546 1.9972 1.9980 2.0410 2.0437 2.1180 2.1182 2.5029 2.5241 2.5306 2.5511 2.9798 2.9819 3.0203 3.0224 3.5682 3.5686 3.5837 3.5840 3.7005 3.7155 3.7166 3.7318 5.0866 5.0923 5.1016 5.1076 8.2303 8.2304 11.4476 11.4530 11.9496 11.9770 12.2288 12.2292 k = 0.0000 0.0000 0.3809 ( 4662 PWs) bands (ev): -22.2865 -22.2865 -17.6086 -17.6086 -14.2684 -14.2684 -13.8628 -13.8613 -13.7724 -13.7708 -12.5729 -12.5708 -12.5700 -12.5679 -6.8771 -6.8770 -6.0163 -6.0049 -5.8384 -5.8275 -5.0171 -5.0169 -2.1341 -2.1211 -1.7246 -1.7148 -1.7067 -1.6846 -0.1956 -0.1956 0.3487 0.3495 0.3654 0.3668 1.0632 1.0710 1.0913 1.0996 1.8571 1.8575 2.0017 2.0030 2.0314 2.0340 2.1099 2.1100 2.5067 2.5209 2.5342 2.5479 2.9804 2.9820 3.0175 3.0190 3.5680 3.5682 3.5835 3.5837 3.7036 3.7137 3.7197 3.7300 5.0874 5.0912 5.1025 5.1065 8.2406 8.2406 11.4485 11.4522 11.9692 11.9887 12.2124 12.2134 k = 0.0000 0.0000 0.3962 ( 4680 PWs) bands (ev): -22.2865 -22.2865 -17.6087 -17.6087 -14.2681 -14.2681 -13.8624 -13.8617 -13.7720 -13.7712 -12.5722 -12.5707 -12.5701 -12.5686 -6.8809 -6.8809 -6.0139 -6.0082 -5.8362 -5.8307 -5.0111 -5.0111 -2.1308 -2.1243 -1.7231 -1.7181 -1.6996 -1.6885 -0.1936 -0.1936 0.3524 0.3534 0.3608 0.3621 1.0652 1.0691 1.0934 1.0976 1.8590 1.8592 2.0075 2.0092 2.0224 2.0248 2.1049 2.1050 2.5103 2.5175 2.5376 2.5445 2.9810 2.9818 3.0160 3.0168 3.5678 3.5679 3.5833 3.5834 3.7065 3.7116 3.7226 3.7278 5.0883 5.0902 5.1034 5.1054 8.2468 8.2468 11.4493 11.4512 11.9845 11.9948 12.2015 12.2025 k = 0.0000 0.0000 0.4114 ( 4680 PWs) bands (ev): -22.2865 -22.2865 -17.6088 -17.6088 -14.2680 -14.2680 -13.8620 -13.8620 -13.7716 -13.7716 -12.5715 -12.5715 -12.5694 -12.5694 -6.8822 -6.8822 -6.0112 -6.0112 -5.8336 -5.8336 -5.0091 -5.0091 -2.1275 -2.1275 -1.7209 -1.7209 -1.6935 -1.6935 -0.1929 -0.1929 0.3565 0.3565 0.3576 0.3576 1.0672 1.0672 1.0956 1.0956 1.8597 1.8597 2.0144 2.0144 2.0165 2.0165 2.1033 2.1033 2.5140 2.5140 2.5411 2.5411 2.9814 2.9814 3.0158 3.0158 3.5678 3.5678 3.5833 3.5833 3.7092 3.7092 3.7253 3.7253 5.0892 5.0892 5.1044 5.1044 8.2488 8.2488 11.4503 11.4503 11.9935 11.9935 12.1980 12.1980 k = 0.0000 0.0000 0.4114 ( 4680 PWs) bands (ev): -22.2865 -22.2865 -17.6088 -17.6088 -14.2680 -14.2680 -13.8620 -13.8620 -13.7716 -13.7716 -12.5715 -12.5715 -12.5694 -12.5694 -6.8822 -6.8822 -6.0112 -6.0112 -5.8336 -5.8336 -5.0091 -5.0091 -2.1275 -2.1275 -1.7209 -1.7209 -1.6935 -1.6935 -0.1929 -0.1929 0.3565 0.3565 0.3576 0.3576 1.0672 1.0672 1.0956 1.0956 1.8597 1.8597 2.0144 2.0144 2.0165 2.0165 2.1033 2.1033 2.5140 2.5140 2.5411 2.5411 2.9814 2.9814 3.0158 3.0158 3.5678 3.5678 3.5833 3.5833 3.7092 3.7092 3.7253 3.7253 5.0892 5.0892 5.1044 5.1044 8.2488 8.2488 11.4503 11.4503 11.9935 11.9935 12.1980 12.1980 k = 0.0135 0.0078 0.4114 ( 4674 PWs) bands (ev): -22.2865 -22.2865 -17.6085 -17.6085 -14.2679 -14.2678 -13.8624 -13.8623 -13.7720 -13.7720 -12.5717 -12.5716 -12.5695 -12.5695 -6.8822 -6.8804 -6.0133 -6.0091 -5.8336 -5.8336 -5.0112 -5.0078 -2.1304 -2.1245 -1.7234 -1.7189 -1.6930 -1.6930 -0.1930 -0.1922 0.3561 0.3561 0.3578 0.3582 1.0673 1.0674 1.0952 1.0963 1.8616 1.8623 2.0126 2.0129 2.0150 2.0161 2.1048 2.1056 2.5133 2.5134 2.5383 2.5430 2.9800 2.9807 3.0128 3.0213 3.5662 3.5667 3.5820 3.5821 3.7083 3.7117 3.7262 3.7264 5.0886 5.0886 5.1038 5.1038 8.2493 8.2494 11.4442 11.4592 11.9833 12.0009 12.1995 12.1999 k = 0.0270 0.0156 0.4114 ( 4666 PWs) bands (ev): -22.2865 -22.2865 -17.6076 -17.6076 -14.2676 -14.2673 -13.8635 -13.8634 -13.7731 -13.7731 -12.5721 -12.5719 -12.5699 -12.5699 -6.8804 -6.8769 -6.0153 -6.0068 -5.8335 -5.8335 -5.0141 -5.0072 -2.1331 -2.1214 -1.7264 -1.7172 -1.6919 -1.6916 -0.1925 -0.1910 0.3541 0.3545 0.3593 0.3606 1.0676 1.0680 1.0953 1.0972 1.8680 1.8693 2.0060 2.0072 2.0132 2.0147 2.1099 2.1112 2.5104 2.5118 2.5358 2.5439 2.9766 2.9780 3.0124 3.0290 3.5620 3.5623 3.5782 3.5793 3.7085 3.7160 3.7287 3.7299 5.0867 5.0868 5.1021 5.1022 8.2507 8.2510 11.4410 11.4712 11.9707 12.0054 12.2036 12.2054 k = 0.0405 0.0234 0.4114 ( 4658 PWs) bands (ev): -22.2865 -22.2865 -17.6062 -17.6062 -14.2670 -14.2665 -13.8653 -13.8651 -13.7749 -13.7749 -12.5728 -12.5725 -12.5705 -12.5705 -6.8769 -6.8716 -6.0172 -6.0045 -5.8333 -5.8333 -5.0177 -5.0074 -2.1356 -2.1181 -1.7300 -1.7157 -1.6901 -1.6891 -0.1915 -0.1892 0.3509 0.3515 0.3624 0.3643 1.0677 1.0689 1.0963 1.0985 1.8786 1.8807 1.9961 1.9976 2.0108 2.0126 2.1178 2.1192 2.5041 2.5084 2.5350 2.5442 2.9716 2.9735 3.0142 3.0384 3.5537 3.5545 3.5731 3.5758 3.7093 3.7221 3.7326 3.7359 5.0831 5.0834 5.0996 5.0999 8.2531 8.2536 11.4403 11.4862 11.9564 12.0073 12.2096 12.2141 k = 0.0541 0.0312 0.4114 ( 4666 PWs) bands (ev): -22.2864 -22.2864 -17.6042 -17.6042 -14.2661 -14.2655 -13.8679 -13.8677 -13.7775 -13.7774 -12.5738 -12.5735 -12.5714 -12.5714 -6.8717 -6.8645 -6.0191 -6.0022 -5.8332 -5.8332 -5.0221 -5.0083 -2.1380 -2.1147 -1.7341 -1.7142 -1.6879 -1.6858 -0.1901 -0.1870 0.3465 0.3474 0.3666 0.3693 1.0675 1.0700 1.0986 1.1005 1.8931 1.8959 1.9839 1.9853 2.0074 2.0098 2.1277 2.1288 2.4945 2.5027 2.5361 2.5447 2.9654 2.9676 3.0177 3.0491 3.5412 3.5433 3.5675 3.5719 3.7101 3.7288 3.7384 3.7443 5.0776 5.0783 5.0966 5.0972 8.2564 8.2570 11.4420 11.5042 11.9409 12.0074 12.2166 12.2256 k = 0.0676 0.0390 0.4114 ( 4666 PWs) bands (ev): -22.2864 -22.2864 -17.6017 -17.6017 -14.2650 -14.2643 -13.8713 -13.8710 -13.7806 -13.7805 -12.5751 -12.5747 -12.5725 -12.5724 -6.8648 -6.8558 -6.0209 -5.9997 -5.8330 -5.8329 -5.0273 -5.0101 -2.1402 -2.1112 -1.7385 -1.7128 -1.6851 -1.6815 -0.1882 -0.1843 0.3412 0.3423 0.3721 0.3753 1.0667 1.0712 1.1027 1.1038 1.9106 1.9145 1.9697 1.9712 2.0032 2.0063 2.1392 2.1395 2.4826 2.4944 2.5385 2.5458 2.9582 2.9606 3.0226 3.0604 3.5256 3.5288 3.5619 3.5675 3.7107 3.7343 3.7473 3.7549 5.0703 5.0713 5.0934 5.0944 8.2605 8.2613 11.4456 11.5252 11.9248 12.0065 12.2239 12.2390 k = 0.0811 0.0468 0.4114 ( 4654 PWs) bands (ev): -22.2863 -22.2863 -17.5987 -17.5987 -14.2636 -14.2628 -13.8755 -13.8752 -13.7842 -13.7841 -12.5767 -12.5763 -12.5738 -12.5736 -6.8562 -6.8454 -6.0226 -5.9972 -5.8327 -5.8326 -5.0332 -5.0127 -2.1424 -2.1077 -1.7433 -1.7113 -1.6818 -1.6763 -0.1859 -0.1813 0.3352 0.3364 0.3786 0.3823 1.0657 1.0724 1.1086 1.1087 1.9288 1.9353 1.9544 1.9573 1.9984 2.0024 2.1513 2.1518 2.4691 2.4837 2.5417 2.5477 2.9504 2.9527 3.0285 3.0719 3.5075 3.5117 3.5559 3.5624 3.7110 3.7385 3.7592 3.7673 5.0612 5.0626 5.0901 5.0915 8.2654 8.2664 11.4508 11.5488 11.9083 12.0054 12.2310 12.2535 k = 0.0946 0.0546 0.4114 ( 4662 PWs) bands (ev): -22.2863 -22.2863 -17.5951 -17.5951 -14.2620 -14.2610 -13.8806 -13.8802 -13.7882 -13.7881 -12.5786 -12.5782 -12.5753 -12.5750 -6.8460 -6.8333 -6.0243 -5.9946 -5.8324 -5.8323 -5.0398 -5.0161 -2.1444 -2.1042 -1.7483 -1.7099 -1.6778 -1.6703 -0.1835 -0.1781 0.3287 0.3300 0.3859 0.3901 1.0646 1.0735 1.1153 1.1166 1.9298 1.9353 1.9590 1.9595 1.9945 1.9996 2.1638 2.1653 2.4547 2.4711 2.5451 2.5500 2.9423 2.9443 3.0350 3.0830 3.4873 3.4926 3.5495 3.5566 3.7109 3.7419 3.7728 3.7811 5.0507 5.0524 5.0866 5.0884 8.2710 8.2721 11.4571 11.5749 11.8918 12.0048 12.2376 12.2685 k = 0.1081 0.0624 0.4114 ( 4648 PWs) bands (ev): -22.2862 -22.2862 -17.5911 -17.5911 -14.2602 -14.2591 -13.8866 -13.8862 -13.7925 -13.7924 -12.5807 -12.5803 -12.5770 -12.5765 -6.8343 -6.8196 -6.0259 -5.9919 -5.8320 -5.8319 -5.0472 -5.0203 -2.1464 -2.1007 -1.7534 -1.7088 -1.6729 -1.6635 -0.1810 -0.1748 0.3220 0.3233 0.3939 0.3985 1.0639 1.0748 1.1240 1.1264 1.9127 1.9170 1.9706 1.9711 2.0015 2.0054 2.1769 2.1796 2.4401 2.4571 2.5486 2.5524 2.9341 2.9357 3.0416 3.0933 3.4658 3.4724 3.5427 3.5501 3.7104 3.7448 3.7877 3.7960 5.0391 5.0411 5.0829 5.0850 8.2771 8.2783 11.4641 11.6031 11.8756 12.0052 12.2433 12.2834 k = 0.1216 0.0702 0.4114 ( 4644 PWs) bands (ev): -22.2861 -22.2861 -17.5865 -17.5865 -14.2582 -14.2569 -13.8935 -13.8931 -13.7970 -13.7968 -12.5831 -12.5828 -12.5788 -12.5782 -6.8211 -6.8044 -6.0274 -5.9891 -5.8316 -5.8314 -5.0554 -5.0253 -2.1483 -2.0974 -1.7586 -1.7079 -1.6671 -1.6559 -0.1785 -0.1715 0.3153 0.3167 0.4024 0.4073 1.0636 1.0765 1.1348 1.1380 1.8923 1.8971 1.9658 1.9694 2.0255 2.0269 2.1905 2.1943 2.4255 2.4423 2.5516 2.5545 2.9263 2.9274 3.0478 3.1020 3.4432 3.4516 3.5353 3.5430 3.7095 3.7471 3.8033 3.8116 5.0267 5.0289 5.0790 5.0814 8.2836 8.2850 11.4712 11.6329 11.8601 12.0070 12.2483 12.2981 k = 0.1351 0.0780 0.4114 ( 4644 PWs) bands (ev): -22.2860 -22.2860 -17.5816 -17.5816 -14.2560 -14.2546 -13.9014 -13.9010 -13.8016 -13.8014 -12.5858 -12.5854 -12.5808 -12.5801 -6.8065 -6.7878 -6.0289 -5.9863 -5.8311 -5.8309 -5.0643 -5.0312 -2.1501 -2.0942 -1.7636 -1.7073 -1.6603 -1.6475 -0.1763 -0.1685 0.3090 0.3103 0.4112 0.4164 1.0641 1.0787 1.1476 1.1516 1.8704 1.8760 1.9557 1.9610 2.0545 2.0554 2.2044 2.2093 2.4115 2.4272 2.5540 2.5559 2.9193 2.9198 3.0532 3.1087 3.4204 3.4310 3.5275 3.5354 3.7082 3.7491 3.8192 3.8276 5.0139 5.0162 5.0749 5.0776 8.2903 8.2919 11.4781 11.6633 11.8457 12.0104 12.2526 12.3125 k = 0.1486 0.0858 0.4114 ( 4648 PWs) bands (ev): -22.2860 -22.2859 -17.5762 -17.5762 -14.2536 -14.2521 -13.9102 -13.9097 -13.8062 -13.8059 -12.5886 -12.5883 -12.5829 -12.5822 -6.7905 -6.7697 -6.0303 -5.9833 -5.8306 -5.8303 -5.0739 -5.0380 -2.1518 -2.0913 -1.7684 -1.7070 -1.6524 -1.6384 -0.1744 -0.1660 0.3033 0.3047 0.4202 0.4257 1.0654 1.0816 1.1625 1.1671 1.8474 1.8538 1.9431 1.9498 2.0847 2.0861 2.2183 2.2244 2.3987 2.4122 2.5552 2.5562 2.9134 2.9136 3.0571 3.1125 3.3978 3.4115 3.5193 3.5272 3.7067 3.7505 3.8352 3.8436 5.0008 5.0033 5.0705 5.0734 8.2973 8.2989 11.4843 11.6925 11.8338 12.0155 12.2567 12.3268 k = 0.1622 0.0936 0.4114 ( 4652 PWs) bands (ev): -22.2859 -22.2859 -17.5705 -17.5705 -14.2511 -14.2495 -13.9198 -13.9194 -13.8108 -13.8104 -12.5917 -12.5914 -12.5852 -12.5843 -6.7733 -6.7504 -6.0316 -5.9803 -5.8301 -5.8297 -5.0844 -5.0456 -2.1535 -2.0887 -1.7730 -1.7070 -1.6436 -1.6286 -0.1731 -0.1640 0.2986 0.3000 0.4293 0.4349 1.0678 1.0855 1.1795 1.1846 1.8236 1.8308 1.9286 1.9366 2.1149 2.1174 2.2322 2.2394 2.3876 2.3979 2.5551 2.5552 2.9086 2.9096 3.0591 3.1129 3.3763 3.3938 3.5108 3.5186 3.7051 3.7516 3.8507 3.8592 4.9879 4.9906 5.0658 5.0691 8.3043 8.3060 11.4893 11.7171 11.8275 12.0221 12.2610 12.3413 k = 0.1757 0.1014 0.4114 ( 4644 PWs) bands (ev): -22.2858 -22.2858 -17.5644 -17.5644 -14.2485 -14.2468 -13.9303 -13.9299 -13.8152 -13.8148 -12.5949 -12.5946 -12.5876 -12.5867 -6.7549 -6.7298 -6.0328 -5.9772 -5.8294 -5.8289 -5.0955 -5.0540 -2.1551 -2.0865 -1.7772 -1.7072 -1.6339 -1.6181 -0.1726 -0.1629 0.2951 0.2965 0.4383 0.4439 1.0712 1.0903 1.1985 1.2040 1.7990 1.8071 1.9122 1.9214 2.1438 2.1482 2.2456 2.2540 2.3789 2.3849 2.5526 2.5534 2.9058 2.9076 3.0587 3.1093 3.3565 3.3788 3.5021 3.5098 3.7034 3.7524 3.8656 3.8742 4.9755 4.9783 5.0610 5.0645 8.3112 8.3130 11.4929 11.7307 11.8324 12.0299 12.2662 12.3568 k = 0.1892 0.1092 0.4114 ( 4644 PWs) bands (ev): -22.2857 -22.2857 -17.5580 -17.5580 -14.2458 -14.2440 -13.9415 -13.9412 -13.8196 -13.8191 -12.5983 -12.5979 -12.5901 -12.5892 -6.7355 -6.7081 -6.0340 -5.9740 -5.8288 -5.8281 -5.1074 -5.0633 -2.1566 -2.0846 -1.7810 -1.7076 -1.6233 -1.6070 -0.1728 -0.1627 0.2930 0.2946 0.4471 0.4528 1.0757 1.0963 1.2194 1.2252 1.7739 1.7827 1.8941 1.9044 2.1699 2.1773 2.2585 2.2681 2.3737 2.3739 2.5481 2.5497 2.9054 2.9080 3.0554 3.1015 3.3391 3.3668 3.4932 3.5008 3.7018 3.7529 3.8795 3.8883 4.9638 4.9666 5.0560 5.0598 8.3180 8.3199 11.4948 11.7301 11.8508 12.0384 12.2731 12.3738 k = 0.2027 0.1170 0.4114 ( 4650 PWs) bands (ev): -22.2856 -22.2856 -17.5513 -17.5513 -14.2431 -14.2412 -13.9534 -13.9530 -13.8238 -13.8232 -12.6017 -12.6014 -12.5927 -12.5917 -6.7152 -6.6853 -6.0350 -5.9708 -5.8281 -5.8272 -5.1199 -5.0734 -2.1580 -2.0832 -1.7843 -1.7081 -1.6119 -1.5954 -0.1740 -0.1635 0.2926 0.2944 0.4557 0.4615 1.0814 1.1033 1.2419 1.2481 1.7484 1.7579 1.8744 1.8857 2.1914 2.2028 2.2708 2.2813 2.3664 2.3732 2.5417 2.5439 2.9076 2.9109 3.0493 3.0898 3.3248 3.3580 3.4843 3.4917 3.7003 3.7532 3.8920 3.9010 4.9531 4.9560 5.0509 5.0548 8.3245 8.3264 11.4950 11.7200 11.8772 12.0473 12.2826 12.3930 k = 0.2162 0.1248 0.4114 ( 4644 PWs) bands (ev): -22.2854 -22.2854 -17.5445 -17.5445 -14.2403 -14.2384 -13.9657 -13.9653 -13.8279 -13.8272 -12.6053 -12.6050 -12.5954 -12.5944 -6.6940 -6.6617 -6.0359 -5.9675 -5.8273 -5.8261 -5.1332 -5.0843 -2.1593 -2.0823 -1.7870 -1.7087 -1.5999 -1.5832 -0.1763 -0.1655 0.2939 0.2961 0.4640 0.4698 1.0883 1.1115 1.2660 1.2726 1.7228 1.7328 1.8531 1.8653 2.2066 2.2224 2.2823 2.2936 2.3641 2.3785 2.5334 2.5360 2.9125 2.9164 3.0404 3.0749 3.3137 3.3521 3.4756 3.4827 3.6990 3.7532 3.9029 3.9122 4.9437 4.9467 5.0456 5.0498 8.3306 8.3327 11.4934 11.7051 11.9059 12.0559 12.2958 12.4151 k = 0.2297 0.1326 0.4114 ( 4640 PWs) bands (ev): -22.2853 -22.2853 -17.5374 -17.5374 -14.2376 -14.2356 -13.9783 -13.9780 -13.8318 -13.8311 -12.6089 -12.6086 -12.5983 -12.5972 -6.6721 -6.6374 -6.0367 -5.9641 -5.8265 -5.8250 -5.1471 -5.0961 -2.1604 -2.0818 -1.7892 -1.7094 -1.5873 -1.5706 -0.1795 -0.1686 0.2972 0.2997 0.4721 0.4779 1.0964 1.1209 1.2913 1.2983 1.6974 1.7077 1.8304 1.8434 2.2146 2.2338 2.2928 2.3044 2.3690 2.3897 2.5232 2.5261 2.9203 2.9243 3.0295 3.0577 3.3057 3.3485 3.4671 3.4739 3.6981 3.7531 3.9120 3.9215 4.9358 4.9388 5.0403 5.0446 8.3364 8.3385 11.4901 11.6878 11.9338 12.0640 12.3134 12.4405 k = 0.2432 0.1404 0.4114 ( 4648 PWs) bands (ev): -22.2852 -22.2852 -17.5303 -17.5303 -14.2350 -14.2330 -13.9912 -13.9909 -13.8356 -13.8348 -12.6125 -12.6122 -12.6011 -12.6001 -6.6496 -6.6124 -6.0373 -5.9607 -5.8257 -5.8237 -5.1617 -5.1086 -2.1614 -2.0819 -1.7906 -1.7102 -1.5741 -1.5577 -0.1837 -0.1728 0.3022 0.3052 0.4800 0.4857 1.1057 1.1315 1.3175 1.3252 1.6723 1.6827 1.8065 1.8200 2.2163 2.2365 2.3022 2.3136 2.3809 2.4055 2.5116 2.5144 2.9306 2.9342 3.0175 3.0395 3.3007 3.3464 3.4591 3.4655 3.6976 3.7528 3.9190 3.9287 4.9295 4.9325 5.0349 5.0394 8.3417 8.3438 11.4851 11.6688 11.9592 12.0711 12.3363 12.4694 k = 0.2568 0.1482 0.4114 ( 4652 PWs) bands (ev): -22.2851 -22.2851 -17.5230 -17.5230 -14.2325 -14.2304 -14.0041 -14.0039 -13.8392 -13.8384 -12.6162 -12.6159 -12.6040 -12.6030 -6.6267 -6.5869 -6.0378 -5.9572 -5.8247 -5.8223 -5.1768 -5.1220 -2.1622 -2.0825 -1.7914 -1.7110 -1.5607 -1.5446 -0.1889 -0.1781 0.3091 0.3126 0.4875 0.4933 1.1160 1.1431 1.3441 1.3526 1.6482 1.6584 1.7815 1.7953 2.2132 2.2324 2.3102 2.3213 2.3970 2.4237 2.4991 2.5013 2.9434 2.9449 3.0063 3.0212 3.2981 3.3456 3.4517 3.4576 3.6975 3.7525 3.9237 3.9336 4.9250 4.9279 5.0295 5.0341 8.3465 8.3486 11.4786 11.6488 11.9813 12.0773 12.3646 12.5016 k = 0.2703 0.1560 0.4114 ( 4652 PWs) bands (ev): -22.2850 -22.2850 -17.5157 -17.5157 -14.2301 -14.2281 -14.0169 -14.0167 -13.8427 -13.8418 -12.6198 -12.6195 -12.6069 -12.6059 -6.6035 -6.5612 -6.0380 -5.9538 -5.8237 -5.8207 -5.1925 -5.1360 -2.1628 -2.0835 -1.7916 -1.7119 -1.5470 -1.5313 -0.1948 -0.1842 0.3178 0.3219 0.4949 0.5006 1.1274 1.1558 1.3702 1.3799 1.6256 1.6352 1.7557 1.7695 2.2069 2.2240 2.3166 2.3273 2.4135 2.4414 2.4866 2.4879 2.9534 2.9581 2.9994 3.0038 3.2975 3.3454 3.4450 3.4505 3.6978 3.7520 3.9260 3.9362 4.9222 4.9252 5.0241 5.0288 8.3508 8.3529 11.4707 11.6279 11.9999 12.0824 12.3983 12.5371 k = 0.2838 0.1638 0.4114 ( 4648 PWs) bands (ev): -22.2849 -22.2849 -17.5085 -17.5085 -14.2280 -14.2260 -14.0295 -14.0293 -13.8460 -13.8451 -12.6233 -12.6231 -12.6099 -12.6088 -6.5802 -6.5353 -6.0379 -5.9503 -5.8226 -5.8188 -5.2086 -5.1507 -2.1632 -2.0851 -1.7911 -1.7127 -1.5331 -1.5179 -0.2013 -0.1911 0.3280 0.3327 0.5021 0.5078 1.1397 1.1695 1.3946 1.4061 1.6059 1.6141 1.7293 1.7429 2.1982 2.2128 2.3215 2.3316 2.4259 2.4520 2.4771 2.4795 2.9548 2.9738 2.9889 3.0023 3.2985 3.3458 3.4393 3.4444 3.6986 3.7515 3.9259 3.9363 4.9213 4.9242 5.0188 5.0235 8.3546 8.3566 11.4617 11.6064 12.0154 12.0868 12.4366 12.5753 k = 0.2973 0.1716 0.4114 ( 4656 PWs) bands (ev): -22.2848 -22.2848 -17.5013 -17.5013 -14.2263 -14.2242 -14.0417 -14.0415 -13.8492 -13.8482 -12.6268 -12.6266 -12.6128 -12.6117 -6.5569 -6.5096 -6.0375 -5.9470 -5.8215 -5.8168 -5.2251 -5.1661 -2.1634 -2.0870 -1.7900 -1.7136 -1.5192 -1.5047 -0.2084 -0.1986 0.3396 0.3450 0.5092 0.5148 1.1527 1.1839 1.4152 1.4293 1.5908 1.5970 1.7026 1.7157 2.1879 2.1998 2.3248 2.3342 2.4275 2.4442 2.4760 2.4867 2.9495 2.9728 2.9942 3.0147 3.3008 3.3465 3.4347 3.4394 3.6998 3.7508 3.9232 3.9338 4.9221 4.9248 5.0136 5.0182 8.3578 8.3598 11.4517 11.5846 12.0282 12.0904 12.4787 12.6156 k = 0.3108 0.1794 0.4114 ( 4652 PWs) bands (ev): -22.2847 -22.2847 -17.4943 -17.4943 -14.2248 -14.2229 -14.0533 -14.0532 -13.8522 -13.8512 -12.6302 -12.6300 -12.6156 -12.6146 -6.5337 -6.4842 -6.0367 -5.9437 -5.8202 -5.8146 -5.2419 -5.1820 -2.1633 -2.0894 -1.7883 -1.7145 -1.5055 -1.4916 -0.2158 -0.2064 0.3525 0.3585 0.5161 0.5217 1.1664 1.1989 1.4287 1.4461 1.5835 1.5872 1.6758 1.6885 2.1762 2.1856 2.3266 2.3351 2.4181 2.4283 2.4835 2.4990 2.9426 2.9621 3.0126 3.0315 3.3043 3.3476 3.4315 3.4358 3.7014 3.7502 3.9181 3.9289 4.9244 4.9271 5.0085 5.0130 8.3606 8.3625 11.4411 11.5625 12.0389 12.0935 12.5236 12.6574 k = 0.3243 0.1872 0.4114 ( 4652 PWs) bands (ev): -22.2846 -22.2846 -17.4875 -17.4875 -14.2238 -14.2220 -14.0641 -14.0641 -13.8550 -13.8540 -12.6335 -12.6333 -12.6184 -12.6174 -6.5108 -6.4594 -6.0354 -5.9407 -5.8189 -5.8121 -5.2587 -5.1983 -2.1630 -2.0921 -1.7861 -1.7155 -1.4920 -1.4788 -0.2233 -0.2145 0.3665 0.3731 0.5229 0.5285 1.1804 1.2143 1.4323 1.4522 1.5862 1.5887 1.6492 1.6620 2.1635 2.1704 2.3270 2.3339 2.4041 2.4105 2.4931 2.5099 2.9363 2.9535 3.0318 3.0500 3.3086 3.3491 3.4299 3.4339 3.7033 3.7495 3.9106 3.9215 4.9282 4.9307 5.0035 5.0080 8.3628 8.3647 11.4299 11.5405 12.0480 12.0961 12.5702 12.6998 k = 0.3378 0.1951 0.4114 ( 4656 PWs) bands (ev): -22.2845 -22.2845 -17.4809 -17.4809 -14.2233 -14.2215 -14.0742 -14.0741 -13.8576 -13.8567 -12.6367 -12.6365 -12.6211 -12.6202 -6.4884 -6.4355 -6.0335 -5.9379 -5.8174 -5.8093 -5.2756 -5.2151 -2.1625 -2.0951 -1.7835 -1.7165 -1.4789 -1.4664 -0.2309 -0.2226 0.3812 0.3884 0.5296 0.5351 1.1945 1.2298 1.4264 1.4469 1.5955 1.6022 1.6235 1.6396 2.1499 2.1545 2.3257 2.3306 2.3891 2.3923 2.5017 2.5184 2.9316 2.9474 3.0512 3.0690 3.3137 3.3511 3.4302 3.4339 3.7055 3.7487 3.9009 3.9118 4.9331 4.9354 4.9988 5.0032 8.3647 8.3665 11.4186 11.5187 12.0559 12.0985 12.6175 12.7418 k = 0.3514 0.2029 0.4114 ( 4654 PWs) bands (ev): -22.2844 -22.2844 -17.4746 -17.4746 -14.2233 -14.2217 -14.0832 -14.0832 -13.8601 -13.8591 -12.6396 -12.6395 -12.6237 -12.6228 -6.4667 -6.4128 -6.0309 -5.9354 -5.8157 -5.8063 -5.2923 -5.2321 -2.1617 -2.0984 -1.7804 -1.7175 -1.4662 -1.4546 -0.2384 -0.2307 0.3967 0.4042 0.5362 0.5416 1.2082 1.2449 1.4143 1.4342 1.5926 1.5983 1.6242 1.6370 2.1355 2.1382 2.3228 2.3246 2.3744 2.3749 2.5087 2.5245 2.9283 2.9433 3.0701 3.0875 3.3196 3.3535 3.4325 3.4362 3.7078 3.7479 3.8890 3.9000 4.9388 4.9410 4.9944 4.9985 8.3661 8.3678 11.4072 11.4974 12.0629 12.1006 12.6644 12.7825 k = 0.3649 0.2107 0.4114 ( 4656 PWs) bands (ev): -22.2843 -22.2843 -17.4687 -17.4687 -14.2239 -14.2224 -14.0912 -14.0912 -13.8624 -13.8614 -12.6424 -12.6422 -12.6261 -12.6253 -6.4458 -6.3915 -6.0275 -5.9334 -5.8139 -5.8032 -5.3085 -5.2493 -2.1607 -2.1018 -1.7770 -1.7186 -1.4541 -1.4434 -0.2456 -0.2386 0.4125 0.4203 0.5426 0.5479 1.2212 1.2590 1.3992 1.4180 1.5726 1.5753 1.6498 1.6566 2.1207 2.1216 2.3155 2.3176 2.3579 2.3626 2.5138 2.5284 2.9265 2.9408 3.0881 3.1051 3.3260 3.3564 3.4371 3.4409 3.7103 3.7469 3.8752 3.8862 4.9452 4.9471 4.9903 4.9942 8.3672 8.3688 11.3961 11.4767 12.0692 12.1025 12.7100 12.8206 k = 0.3784 0.2185 0.4114 ( 4658 PWs) bands (ev): -22.2842 -22.2842 -17.4631 -17.4631 -14.2250 -14.2236 -14.0982 -14.0980 -13.8644 -13.8635 -12.6450 -12.6448 -12.6284 -12.6276 -6.4258 -6.3721 -6.0232 -5.9319 -5.8120 -5.7999 -5.3241 -5.2664 -2.1595 -2.1054 -1.7734 -1.7199 -1.4428 -1.4330 -0.2524 -0.2461 0.4284 0.4364 0.5489 0.5539 1.2330 1.2716 1.3833 1.4007 1.5505 1.5543 1.6771 1.6818 2.1052 2.1057 2.3033 2.3090 2.3443 2.3527 2.5175 2.5305 2.9257 2.9395 3.1047 3.1210 3.3328 3.3596 3.4442 3.4481 3.7128 3.7460 3.8597 3.8706 4.9518 4.9535 4.9866 4.9902 8.3680 8.3694 11.3856 11.4570 12.0750 12.1042 12.7533 12.8551 k = 0.3919 0.2263 0.4114 ( 4658 PWs) bands (ev): -22.2841 -22.2841 -17.4580 -17.4580 -14.2265 -14.2253 -14.1039 -14.1037 -13.8663 -13.8655 -12.6473 -12.6472 -12.6305 -12.6298 -6.4069 -6.3548 -6.0180 -5.9310 -5.8098 -5.7966 -5.3387 -5.2834 -2.1580 -2.1091 -1.7696 -1.7212 -1.4322 -1.4235 -0.2588 -0.2531 0.4442 0.4521 0.5549 0.5596 1.2429 1.2817 1.3678 1.3835 1.5304 1.5361 1.7047 1.7082 2.0890 2.0906 2.2889 2.2963 2.3346 2.3447 2.5199 2.5313 2.9257 2.9388 3.1198 3.1350 3.3400 3.3632 3.4538 3.4579 3.7154 3.7449 3.8427 3.8534 4.9584 4.9597 4.9836 4.9867 8.3685 8.3698 11.3758 11.4384 12.0803 12.1057 12.7932 12.8849 k = 0.4054 0.2341 0.4114 ( 4658 PWs) bands (ev): -22.2841 -22.2841 -17.4534 -17.4534 -14.2284 -14.2273 -14.1087 -14.1084 -13.8679 -13.8672 -12.6494 -12.6493 -12.6324 -12.6318 -6.3892 -6.3399 -6.0118 -5.9308 -5.8075 -5.7935 -5.3520 -5.3000 -2.1562 -2.1129 -1.7656 -1.7228 -1.4226 -1.4148 -0.2646 -0.2596 0.4595 0.4672 0.5606 0.5650 1.2506 1.2884 1.3536 1.3672 1.5137 1.5211 1.7316 1.7344 2.0735 2.0760 2.2734 2.2810 2.3280 2.3380 2.5214 2.5312 2.9262 2.9385 3.1329 3.1469 3.3472 3.3669 3.4659 3.4703 3.7179 3.7437 3.8246 3.8351 4.9642 4.9650 4.9817 4.9841 8.3688 8.3700 11.3670 11.4210 12.0851 12.1070 12.8291 12.9096 k = 0.4189 0.2419 0.4114 ( 4648 PWs) bands (ev): -22.2840 -22.2840 -17.4493 -17.4493 -14.2304 -14.2296 -14.1124 -14.1122 -13.8693 -13.8687 -12.6513 -12.6512 -12.6340 -12.6335 -6.3729 -6.3276 -6.0046 -5.9314 -5.8049 -5.7906 -5.3637 -5.3160 -2.1543 -2.1167 -1.7616 -1.7244 -1.4140 -1.4073 -0.2697 -0.2654 0.4740 0.4812 0.5660 0.5699 1.2557 1.2907 1.3415 1.3524 1.5011 1.5096 1.7572 1.7594 2.0591 2.0620 2.2579 2.2649 2.3230 2.3322 2.5223 2.5306 2.9271 2.9383 3.1442 3.1566 3.3543 3.3706 3.4801 3.4847 3.7203 3.7425 3.8057 3.8158 4.9683 4.9685 4.9818 4.9831 8.3690 8.3701 11.3593 11.4052 12.0895 12.1080 12.8604 12.9290 k = 0.4324 0.2497 0.4114 ( 4656 PWs) bands (ev): -22.2840 -22.2840 -17.4458 -17.4458 -14.2325 -14.2318 -14.1153 -14.1150 -13.8705 -13.8700 -12.6529 -12.6528 -12.6355 -12.6350 -6.3581 -6.3180 -5.9967 -5.9329 -5.8022 -5.7883 -5.3734 -5.3311 -2.1521 -2.1205 -1.7576 -1.7263 -1.4064 -1.4008 -0.2742 -0.2706 0.4873 0.4938 0.5709 0.5742 1.2584 1.2887 1.3316 1.3395 1.4931 1.5016 1.7808 1.7826 2.0460 2.0491 2.2430 2.2490 2.3191 2.3270 2.5228 2.5295 2.9281 2.9379 3.1535 3.1640 3.3610 3.3741 3.4960 3.5008 3.7226 3.7411 3.7864 3.7960 4.9689 4.9699 4.9845 4.9846 8.3691 8.3700 11.3531 11.3909 12.0935 12.1087 12.8869 12.9432 k = 0.4459 0.2575 0.4114 ( 4652 PWs) bands (ev): -22.2839 -22.2839 -17.4429 -17.4429 -14.2345 -14.2339 -14.1174 -14.1172 -13.8715 -13.8710 -12.6542 -12.6541 -12.6367 -12.6363 -6.3449 -6.3113 -5.9883 -5.9354 -5.7993 -5.7866 -5.3809 -5.3451 -2.1497 -2.1242 -1.7536 -1.7285 -1.4000 -1.3955 -0.2778 -0.2749 0.4991 0.5046 0.5752 0.5779 1.2591 1.2834 1.3238 1.3288 1.4891 1.4966 1.8017 1.8032 2.0348 2.0376 2.2294 2.2344 2.3161 2.3225 2.5231 2.5284 2.9291 2.9374 3.1610 3.1696 3.3670 3.3771 3.5127 3.5175 3.7248 3.7397 3.7676 3.7765 4.9681 4.9694 4.9878 4.9881 8.3691 8.3698 11.3484 11.3784 12.0970 12.1091 12.9087 12.9529 k = 0.4595 0.2653 0.4114 ( 4642 PWs) bands (ev): -22.2839 -22.2839 -17.4406 -17.4405 -14.2362 -14.2358 -14.1190 -14.1188 -13.8723 -13.8719 -12.6552 -12.6552 -12.6376 -12.6373 -6.3334 -6.3072 -5.9797 -5.9388 -5.7963 -5.7858 -5.3857 -5.3577 -2.1471 -2.1279 -1.7498 -1.7308 -1.3949 -1.3915 -0.2806 -0.2784 0.5090 0.5133 0.5788 0.5808 1.2588 1.2767 1.3175 1.3203 1.4880 1.4940 1.8193 1.8204 2.0257 2.0281 2.2178 2.2217 2.3138 2.3187 2.5234 2.5273 2.9303 2.9367 3.1669 3.1733 3.3722 3.3795 3.5293 3.5339 3.7267 3.7379 3.7503 3.7580 4.9672 4.9683 4.9912 4.9915 8.3691 8.3697 11.3454 11.3678 12.1002 12.1092 12.9261 12.9586 k = 0.4730 0.2731 0.4114 ( 4642 PWs) bands (ev): -22.2838 -22.2838 -17.4389 -17.4389 -14.2374 -14.2372 -14.1200 -14.1198 -13.8728 -13.8725 -12.6560 -12.6559 -12.6382 -12.6381 -6.3238 -6.3058 -5.9711 -5.9434 -5.7934 -5.7859 -5.3878 -5.3684 -2.1443 -2.1314 -1.7461 -1.7334 -1.3910 -1.3887 -0.2825 -0.2811 0.5165 0.5195 0.5815 0.5829 1.2584 1.2702 1.3128 1.3142 1.4886 1.4926 1.8327 1.8335 2.0190 2.0208 2.2090 2.2116 2.3124 2.3157 2.5236 2.5262 2.9314 2.9358 3.1712 3.1756 3.3763 3.3811 3.5443 3.5480 3.7278 3.7329 3.7389 3.7424 4.9664 4.9672 4.9938 4.9941 8.3691 8.3695 11.3442 11.3591 12.1028 12.1088 12.9395 12.9609 k = 0.4865 0.2809 0.4114 ( 4638 PWs) bands (ev): -22.2838 -22.2838 -17.4379 -17.4379 -14.2382 -14.2381 -14.1205 -14.1205 -13.8731 -13.8729 -12.6564 -12.6564 -12.6386 -12.6385 -6.3160 -6.3069 -5.9630 -5.9489 -5.7907 -5.7868 -5.3870 -5.3771 -2.1413 -2.1349 -1.7426 -1.7362 -1.3884 -1.3873 -0.2835 -0.2828 0.5215 0.5230 0.5834 0.5841 1.2589 1.2647 1.3098 1.3104 1.4898 1.4918 1.8412 1.8416 2.0151 2.0160 2.2037 2.2050 2.3119 2.3135 2.5240 2.5253 2.9326 2.9348 3.1742 3.1764 3.3793 3.3816 3.5554 3.5576 3.7244 3.7254 3.7346 3.7362 4.9660 4.9664 4.9956 4.9957 8.3691 8.3693 11.3449 11.3523 12.1050 12.1080 12.9494 12.9600 k = 0.5000 0.2887 0.4114 ( 4640 PWs) bands (ev): -22.2838 -22.2838 -17.4375 -17.4375 -14.2384 -14.2384 -14.1207 -14.1207 -13.8731 -13.8731 -12.6566 -12.6566 -12.6387 -12.6387 -6.3104 -6.3104 -5.9555 -5.9555 -5.7885 -5.7885 -5.3834 -5.3834 -2.1382 -2.1382 -1.7393 -1.7393 -1.3872 -1.3872 -0.2836 -0.2836 0.5237 0.5237 0.5842 0.5842 1.2609 1.2609 1.3089 1.3089 1.4910 1.4910 1.8442 1.8442 2.0141 2.0141 2.2023 2.2023 2.3122 2.3122 2.5246 2.5246 2.9337 2.9337 3.1759 3.1759 3.3811 3.3811 3.5603 3.5603 3.7217 3.7217 3.7347 3.7347 4.9660 4.9660 4.9962 4.9962 8.3692 8.3692 11.3476 11.3476 12.1067 12.1067 12.9562 12.9562 k = 0.5000 0.2887 0.4114 ( 4640 PWs) bands (ev): -22.2838 -22.2838 -17.4375 -17.4375 -14.2384 -14.2384 -14.1207 -14.1207 -13.8731 -13.8731 -12.6566 -12.6566 -12.6387 -12.6387 -6.3104 -6.3104 -5.9555 -5.9555 -5.7885 -5.7885 -5.3834 -5.3834 -2.1382 -2.1382 -1.7393 -1.7393 -1.3872 -1.3872 -0.2836 -0.2836 0.5237 0.5237 0.5842 0.5842 1.2609 1.2609 1.3089 1.3089 1.4910 1.4910 1.8442 1.8442 2.0141 2.0141 2.2023 2.2023 2.3122 2.3122 2.5246 2.5246 2.9337 2.9337 3.1759 3.1759 3.3811 3.3811 3.5603 3.5603 3.7217 3.7217 3.7347 3.7347 4.9660 4.9660 4.9962 4.9962 8.3692 8.3692 11.3476 11.3476 12.1067 12.1067 12.9562 12.9562 k = 0.4924 0.3018 0.4114 ( 4644 PWs) bands (ev): -22.2838 -22.2838 -17.4375 -17.4374 -14.2390 -14.2376 -14.1207 -14.1204 -13.8742 -13.8731 -12.6565 -12.6565 -12.6388 -12.6387 -6.3118 -6.3076 -5.9598 -5.9511 -5.7901 -5.7870 -5.3851 -5.3825 -2.1403 -2.1354 -1.7415 -1.7370 -1.3911 -1.3843 -0.2833 -0.2828 0.5232 0.5249 0.5828 0.5842 1.2543 1.2667 1.3043 1.3150 1.4889 1.4907 1.8444 1.8464 2.0095 2.0161 2.1994 2.2051 2.3108 2.3158 2.5232 2.5263 2.9340 2.9357 3.1734 3.1771 3.3746 3.3844 3.5560 3.5598 3.7123 3.7229 3.7396 3.7448 4.9639 4.9677 4.9949 4.9986 8.3691 8.3691 11.3343 11.3612 12.0883 12.1247 12.9515 12.9613 k = 0.4848 0.3149 0.4114 ( 4636 PWs) bands (ev): -22.2838 -22.2838 -17.4372 -17.4371 -14.2393 -14.2365 -14.1204 -14.1198 -13.8764 -13.8742 -12.6565 -12.6564 -12.6389 -12.6388 -6.3118 -6.3034 -5.9641 -5.9466 -5.7918 -5.7858 -5.3877 -5.3826 -2.1418 -2.1321 -1.7436 -1.7346 -1.3961 -1.3824 -0.2819 -0.2807 0.5235 0.5271 0.5799 0.5827 1.2474 1.2705 1.3020 1.3217 1.4848 1.4884 1.8466 1.8507 2.0031 2.0157 2.1963 2.2077 2.3117 2.3214 2.5223 2.5283 2.9364 2.9398 3.1697 3.1770 3.3653 3.3843 3.5474 3.5543 3.7049 3.7211 3.7541 3.7595 4.9617 4.9688 4.9950 5.0018 8.3687 8.3688 11.3212 11.3749 12.0696 12.1424 12.9475 12.9670 k = 0.4773 0.3280 0.4114 ( 4640 PWs) bands (ev): -22.2838 -22.2838 -17.4368 -17.4365 -14.2393 -14.2352 -14.1199 -14.1190 -13.8796 -13.8763 -12.6564 -12.6563 -12.6391 -12.6390 -6.3106 -6.2978 -5.9683 -5.9419 -5.7937 -5.7847 -5.3911 -5.3835 -2.1428 -2.1281 -1.7456 -1.7323 -1.4020 -1.3815 -0.2793 -0.2776 0.5243 0.5301 0.5759 0.5796 1.2405 1.2709 1.3031 1.3288 1.4790 1.4843 1.8501 1.8562 1.9960 2.0135 2.1926 2.2092 2.3154 2.3291 2.5218 2.5305 2.9408 2.9460 3.1646 3.1754 3.3535 3.3810 3.5352 3.5442 3.7010 3.7232 3.7706 3.7763 4.9596 4.9691 4.9965 5.0056 8.3680 8.3682 11.3083 11.3889 12.0504 12.1596 12.9441 12.9731 k = 0.4697 0.3412 0.4114 ( 4648 PWs) bands (ev): -22.2838 -22.2838 -17.4361 -17.4358 -14.2391 -14.2336 -14.1191 -14.1179 -13.8839 -13.8795 -12.6563 -12.6561 -12.6394 -12.6393 -6.3081 -6.2909 -5.9724 -5.9371 -5.7959 -5.7838 -5.3955 -5.3852 -2.1431 -2.1236 -1.7475 -1.7298 -1.4089 -1.3816 -0.2757 -0.2734 0.5254 0.5340 0.5713 0.5751 1.2335 1.2682 1.3070 1.3358 1.4721 1.4793 1.8536 1.8616 1.9902 2.0110 2.1878 2.2090 2.3221 2.3388 2.5216 2.5328 2.9471 2.9540 3.1584 3.1724 3.3397 3.3748 3.5203 3.5307 3.7008 3.7288 3.7879 3.7942 4.9579 4.9688 4.9993 5.0097 8.3672 8.3674 11.2957 11.4029 12.0309 12.1764 12.9413 12.9794 k = 0.4621 0.3543 0.4114 ( 4644 PWs) bands (ev): -22.2838 -22.2838 -17.4353 -17.4349 -14.2386 -14.2317 -14.1179 -14.1165 -13.8892 -13.8836 -12.6561 -12.6559 -12.6397 -12.6396 -6.3045 -6.2826 -5.9765 -5.9321 -5.7981 -5.7831 -5.4007 -5.3878 -2.1429 -2.1186 -1.7491 -1.7273 -1.4168 -1.3826 -0.2710 -0.2682 0.5262 0.5387 0.5667 0.5695 1.2264 1.2634 1.3119 1.3422 1.4649 1.4740 1.8553 1.8654 1.9877 2.0098 2.1820 2.2066 2.3320 2.3503 2.5218 2.5350 2.9550 2.9637 3.1510 3.1680 3.3244 3.3661 3.5035 3.5149 3.7036 3.7370 3.8057 3.8125 4.9567 4.9683 5.0029 5.0139 8.3661 8.3664 11.2834 11.4171 12.0111 12.1929 12.9391 12.9858 k = 0.4545 0.3674 0.4114 ( 4640 PWs) bands (ev): -22.2838 -22.2838 -17.4343 -17.4339 -14.2379 -14.2297 -14.1165 -14.1149 -13.8954 -13.8886 -12.6559 -12.6557 -12.6402 -12.6400 -6.2998 -6.2730 -5.9806 -5.9269 -5.8005 -5.7826 -5.4067 -5.3912 -2.1422 -2.1132 -1.7505 -1.7247 -1.4255 -1.3845 -0.2654 -0.2621 0.5256 0.5441 0.5623 0.5640 1.2190 1.2575 1.3164 1.3477 1.4583 1.4693 1.8537 1.8663 1.9902 2.0114 2.1753 2.2022 2.3444 2.3632 2.5221 2.5371 2.9642 2.9747 3.1426 3.1619 3.3080 3.3556 3.4855 3.4977 3.7090 3.7469 3.8233 3.8307 4.9559 4.9679 5.0070 5.0183 8.3649 8.3653 11.2715 11.4313 11.9909 12.2089 12.9375 12.9921 k = 0.4470 0.3805 0.4114 ( 4644 PWs) bands (ev): -22.2838 -22.2838 -17.4332 -17.4327 -14.2370 -14.2274 -14.1148 -14.1130 -13.9025 -13.8944 -12.6557 -12.6555 -12.6407 -12.6405 -6.2941 -6.2622 -5.9848 -5.9215 -5.8030 -5.7822 -5.4135 -5.3953 -2.1411 -2.1074 -1.7516 -1.7219 -1.4350 -1.3873 -0.2590 -0.2552 0.5227 0.5490 0.5563 0.5629 1.2112 1.2504 1.3195 1.3515 1.4530 1.4662 1.8480 1.8638 1.9981 2.0168 2.1681 2.1964 2.3588 2.3771 2.5224 2.5389 2.9745 2.9868 3.1330 3.1543 3.2908 3.3437 3.4669 3.4799 3.7162 3.7578 3.8406 3.8484 4.9557 4.9678 5.0114 5.0227 8.3634 8.3639 11.2598 11.4457 11.9705 12.2244 12.9365 12.9980 k = 0.4394 0.3936 0.4114 ( 4646 PWs) bands (ev): -22.2837 -22.2837 -17.4319 -17.4313 -14.2360 -14.2250 -14.1128 -14.1108 -13.9104 -13.9009 -12.6555 -12.6552 -12.6412 -12.6410 -6.2875 -6.2502 -5.9890 -5.9159 -5.8057 -5.7820 -5.4211 -5.4000 -2.1396 -2.1013 -1.7523 -1.7189 -1.4453 -1.3907 -0.2518 -0.2475 0.5173 0.5455 0.5587 0.5648 1.2027 1.2424 1.3207 1.3531 1.4497 1.4651 1.8391 1.8580 2.0103 2.0263 2.1608 2.1897 2.3743 2.3915 2.5227 2.5404 2.9855 2.9996 3.1225 3.1452 3.2733 3.3310 3.4482 3.4621 3.7246 3.7693 3.8572 3.8654 4.9560 4.9680 5.0158 5.0269 8.3619 8.3624 11.2486 11.4600 11.9499 12.2394 12.9360 13.0032 k = 0.4318 0.4068 0.4114 ( 4642 PWs) bands (ev): -22.2837 -22.2837 -17.4306 -17.4299 -14.2348 -14.2225 -14.1105 -14.1084 -13.9190 -13.9080 -12.6553 -12.6550 -12.6418 -12.6415 -6.2802 -6.2371 -5.9932 -5.9102 -5.8084 -5.7819 -5.4293 -5.4054 -2.1377 -2.0951 -1.7526 -1.7157 -1.4562 -1.3948 -0.2441 -0.2394 0.5102 0.5376 0.5656 0.5690 1.1936 1.2334 1.3195 1.3522 1.4489 1.4666 1.8282 1.8497 2.0254 2.0392 2.1539 2.1827 2.3904 2.4062 2.5229 2.5416 2.9968 3.0128 3.1112 3.1347 3.2558 3.3180 3.4298 3.4446 3.7338 3.7810 3.8731 3.8816 4.9568 4.9686 5.0202 5.0310 8.3603 8.3608 11.2378 11.4743 11.9291 12.2539 12.9360 13.0074 k = 0.4242 0.4199 0.4114 ( 4650 PWs) bands (ev): -22.2837 -22.2837 -17.4291 -17.4284 -14.2335 -14.2199 -14.1079 -14.1057 -13.9282 -13.9157 -12.6551 -12.6548 -12.6424 -12.6421 -6.2723 -6.2230 -5.9975 -5.9043 -5.8111 -5.7820 -5.4382 -5.4114 -2.1356 -2.0887 -1.7525 -1.7122 -1.4677 -1.3994 -0.2360 -0.2309 0.5023 0.5296 0.5731 0.5746 1.1839 1.2234 1.3161 1.3486 1.4508 1.4703 1.8164 1.8397 2.0420 2.0545 2.1481 2.1760 2.4065 2.4208 2.5226 2.5422 3.0083 3.0261 3.0992 3.1230 3.2386 3.3049 3.4119 3.4277 3.7434 3.7926 3.8880 3.8968 4.9581 4.9697 5.0244 5.0348 8.3585 8.3592 11.2274 11.4884 11.9083 12.2676 12.9365 13.0099 k = 0.4167 0.4330 0.4114 ( 4646 PWs) bands (ev): -22.2837 -22.2837 -17.4276 -17.4268 -14.2322 -14.2172 -14.1051 -14.1027 -13.9379 -13.9237 -12.6549 -12.6545 -12.6431 -12.6427 -6.2640 -6.2081 -6.0018 -5.8984 -5.8137 -5.7822 -5.4475 -5.4178 -2.1334 -2.0824 -1.7520 -1.7083 -1.4797 -1.4044 -0.2276 -0.2222 0.4943 0.5219 0.5804 0.5816 1.1737 1.2127 1.3105 1.3425 1.4550 1.4759 1.8045 1.8287 2.0588 2.0711 2.1442 2.1703 2.4222 2.4348 2.5221 2.5423 3.0196 3.0390 3.0871 3.1105 3.2222 3.2919 3.3948 3.4116 3.7532 3.8039 3.9018 3.9108 4.9598 4.9711 5.0285 5.0383 8.3568 8.3575 11.2175 11.5025 11.8876 12.2806 12.9374 13.0105 k = 0.4091 0.4461 0.4114 ( 4646 PWs) bands (ev): -22.2837 -22.2837 -17.4260 -17.4252 -14.2308 -14.2145 -14.1020 -14.0995 -13.9479 -13.9319 -12.6548 -12.6543 -12.6438 -12.6434 -6.2554 -6.1925 -6.0063 -5.8926 -5.8161 -5.7826 -5.4572 -5.4245 -2.1311 -2.0762 -1.7510 -1.7039 -1.4920 -1.4098 -0.2192 -0.2135 0.4868 0.5149 0.5872 0.5892 1.1632 1.2015 1.3032 1.3343 1.4611 1.4828 1.7930 1.8173 2.0742 2.0882 2.1433 2.1661 2.4370 2.4481 2.5210 2.5416 3.0302 3.0509 3.0755 3.0975 3.2069 3.2792 3.3786 3.3967 3.7627 3.8148 3.9144 3.9236 4.9620 4.9729 5.0322 5.0415 8.3550 8.3558 11.2081 11.5164 11.8670 12.2927 12.9388 13.0077 k = 0.4015 0.4593 0.4114 ( 4642 PWs) bands (ev): -22.2836 -22.2836 -17.4245 -17.4236 -14.2294 -14.2119 -14.0987 -14.0959 -13.9582 -13.9402 -12.6546 -12.6541 -12.6445 -12.6440 -6.2468 -6.1763 -6.0108 -5.8872 -5.8181 -5.7831 -5.4672 -5.4315 -2.1288 -2.0703 -1.7495 -1.6990 -1.5047 -1.4153 -0.2110 -0.2050 0.4802 0.5090 0.5938 0.5966 1.1528 1.1903 1.2945 1.3243 1.4686 1.4908 1.7821 1.8058 2.0866 2.1043 2.1467 2.1647 2.4505 2.4602 2.5192 2.5401 3.0394 3.0580 3.0688 3.0847 3.1930 3.2667 3.3636 3.3829 3.7720 3.8252 3.9258 3.9351 4.9644 4.9749 5.0356 5.0443 8.3533 8.3542 11.1994 11.5300 11.8469 12.3038 12.9405 13.0023 k = 0.3939 0.4724 0.4114 ( 4642 PWs) bands (ev): -22.2836 -22.2836 -17.4230 -17.4220 -14.2281 -14.2094 -14.0954 -14.0918 -13.9687 -13.9485 -12.6545 -12.6540 -12.6452 -12.6446 -6.2382 -6.1598 -6.0155 -5.8824 -5.8194 -5.7838 -5.4773 -5.4386 -2.1265 -2.0647 -1.7477 -1.6934 -1.5176 -1.4208 -0.2032 -0.1970 0.4747 0.5045 0.6001 0.6033 1.1430 1.1795 1.2847 1.3129 1.4771 1.4994 1.7719 1.7944 2.0948 2.1173 2.1549 2.1683 2.4625 2.4709 2.5168 2.5376 3.0429 3.0560 3.0726 3.0760 3.1809 3.2543 3.3497 3.3707 3.7808 3.8348 3.9360 3.9452 4.9670 4.9772 5.0386 5.0467 8.3516 8.3525 11.1913 11.5432 11.8273 12.3139 12.9425 12.9948 k = 0.3864 0.4855 0.4114 ( 4642 PWs) bands (ev): -22.2836 -22.2836 -17.4215 -17.4205 -14.2269 -14.2071 -14.0921 -14.0874 -13.9792 -13.9565 -12.6545 -12.6538 -12.6459 -12.6452 -6.2299 -6.1433 -6.0202 -5.8787 -5.8196 -5.7846 -5.4874 -5.4457 -2.1245 -2.0596 -1.7457 -1.6870 -1.5307 -1.4262 -0.1959 -0.1896 0.4706 0.5015 0.6056 0.6092 1.1342 1.1695 1.2740 1.3004 1.4861 1.5083 1.7623 1.7835 2.0998 2.1251 2.1670 2.1783 2.4724 2.4801 2.5138 2.5338 3.0368 3.0570 3.0663 3.0842 3.1707 3.2419 3.3371 3.3600 3.7890 3.8437 3.9449 3.9539 4.9697 4.9795 5.0412 5.0487 8.3501 8.3511 11.1840 11.5559 11.8084 12.3228 12.9448 12.9866 k = 0.3788 0.4986 0.4114 ( 4646 PWs) bands (ev): -22.2836 -22.2836 -17.4201 -17.4191 -14.2258 -14.2050 -14.0889 -14.0826 -13.9896 -13.9641 -12.6545 -12.6537 -12.6466 -12.6458 -6.2220 -6.1269 -6.0250 -5.8765 -5.8186 -5.7855 -5.4970 -5.4526 -2.1226 -2.0551 -1.7435 -1.6798 -1.5437 -1.4313 -0.1893 -0.1830 0.4679 0.5002 0.6101 0.6137 1.1267 1.1607 1.2629 1.2871 1.4953 1.5172 1.7534 1.7730 2.1034 2.1285 2.1818 2.1926 2.4800 2.4874 2.5103 2.5288 3.0297 3.0498 3.0709 3.0916 3.1626 3.2293 3.3260 3.3512 3.7964 3.8517 3.9524 3.9613 4.9723 4.9819 5.0434 5.0503 8.3487 8.3497 11.1774 11.5680 11.7907 12.3304 12.9473 12.9788 k = 0.3712 0.5117 0.4114 ( 4654 PWs) bands (ev): -22.2836 -22.2836 -17.4189 -17.4178 -14.2249 -14.2031 -14.0858 -14.0773 -13.9998 -13.9710 -12.6545 -12.6537 -12.6472 -12.6463 -6.2148 -6.1110 -6.0299 -5.8758 -5.8161 -5.7866 -5.5061 -5.4591 -2.1209 -2.0512 -1.7412 -1.6718 -1.5567 -1.4359 -0.1837 -0.1774 0.4668 0.5006 0.6131 0.6167 1.1210 1.1536 1.2517 1.2736 1.5043 1.5259 1.7452 1.7632 2.1069 2.1297 2.1977 2.2082 2.4845 2.4929 2.5070 2.5225 3.0243 3.0424 3.0766 3.0982 3.1566 3.2164 3.3163 3.3441 3.8029 3.8587 3.9586 3.9672 4.9749 4.9842 5.0452 5.0516 8.3474 8.3485 11.1717 11.5793 11.7743 12.3368 12.9498 12.9720 k = 0.3636 0.5249 0.4114 ( 4646 PWs) bands (ev): -22.2835 -22.2835 -17.4177 -17.4167 -14.2241 -14.2015 -14.0830 -14.0717 -14.0096 -13.9771 -12.6545 -12.6536 -12.6477 -12.6468 -6.2085 -6.0960 -6.0348 -5.8764 -5.8127 -5.7877 -5.5143 -5.4650 -2.1196 -2.0480 -1.7392 -1.6630 -1.5696 -1.4399 -0.1791 -0.1728 0.4672 0.5027 0.6146 0.6183 1.1174 1.1485 1.2410 1.2602 1.5127 1.5340 1.7377 1.7543 2.1107 2.1302 2.2130 2.2233 2.4850 2.4966 2.5048 2.5160 3.0210 3.0366 3.0811 3.1048 3.1523 3.2032 3.3083 3.3388 3.8085 3.8647 3.9636 3.9718 4.9772 4.9864 5.0467 5.0525 8.3464 8.3474 11.1669 11.5893 11.7598 12.3418 12.9523 12.9667 k = 0.3561 0.5380 0.4114 ( 4642 PWs) bands (ev): -22.2835 -22.2835 -17.4168 -17.4158 -14.2235 -14.2003 -14.0807 -14.0658 -14.0189 -13.9821 -12.6546 -12.6536 -12.6481 -12.6472 -6.2031 -6.0825 -6.0396 -5.8778 -5.8088 -5.7888 -5.5212 -5.4701 -2.1185 -2.0455 -1.7374 -1.6534 -1.5822 -1.4432 -0.1756 -0.1694 0.4686 0.5060 0.6144 0.6185 1.1159 1.1453 1.2314 1.2476 1.5199 1.5412 1.7312 1.7467 2.1149 2.1304 2.2265 2.2367 2.4821 2.4988 2.5014 2.5119 3.0199 3.0322 3.0841 3.1125 3.1491 3.1896 3.3022 3.3352 3.8130 3.8696 3.9673 3.9751 4.9791 4.9882 5.0478 5.0531 8.3455 8.3466 11.1630 11.5978 11.7477 12.3457 12.9546 12.9627 k = 0.3485 0.5511 0.4114 ( 4646 PWs) bands (ev): -22.2835 -22.2835 -17.4161 -17.4151 -14.2230 -14.1994 -14.0789 -14.0597 -14.0275 -13.9859 -12.6546 -12.6536 -12.6485 -12.6474 -6.1991 -6.0710 -6.0441 -5.8795 -5.8052 -5.7898 -5.5265 -5.4740 -2.1178 -2.0438 -1.7360 -1.6432 -1.5945 -1.4456 -0.1731 -0.1670 0.4707 0.5100 0.6129 0.6178 1.1160 1.1437 1.2239 1.2365 1.5257 1.5469 1.7260 1.7408 2.1193 2.1303 2.2372 2.2472 2.4779 2.4946 2.5009 2.5113 3.0205 3.0290 3.0862 3.1220 3.1464 3.1756 3.2979 3.3328 3.8164 3.8732 3.9698 3.9773 4.9806 4.9896 5.0486 5.0535 8.3449 8.3460 11.1602 11.6042 11.7386 12.3482 12.9564 12.9601 k = 0.3409 0.5642 0.4114 ( 4646 PWs) bands (ev): -22.2835 -22.2835 -17.4157 -17.4146 -14.2228 -14.1989 -14.0779 -14.0538 -14.0349 -13.9882 -12.6547 -12.6536 -12.6487 -12.6476 -6.1965 -6.0626 -6.0481 -5.8809 -5.8027 -5.7905 -5.5299 -5.4766 -2.1173 -2.0427 -1.7351 -1.6328 -1.6061 -1.4471 -0.1717 -0.1656 0.4727 0.5136 0.6108 0.6168 1.1170 1.1433 1.2193 1.2282 1.5294 1.5507 1.7226 1.7371 2.1236 2.1295 2.2440 2.2538 2.4746 2.4892 2.5017 2.5116 3.0221 3.0265 3.0877 3.1333 3.1443 3.1615 3.2954 3.3317 3.8185 3.8754 3.9712 3.9785 4.9816 4.9905 5.0490 5.0537 8.3445 8.3457 11.1585 11.6081 11.7330 12.3497 12.9577 12.9587 k = 0.3333 0.5774 0.4114 ( 4638 PWs) bands (ev): -22.2835 -22.2835 -17.4156 -17.4145 -14.2227 -14.1987 -14.0775 -14.0505 -14.0387 -13.9889 -12.6547 -12.6536 -12.6488 -12.6477 -6.1956 -6.0592 -6.0499 -5.8814 -5.8019 -5.7907 -5.5311 -5.4775 -2.1172 -2.0424 -1.7348 -1.6259 -1.6133 -1.4476 -0.1712 -0.1652 0.4735 0.5152 0.6098 0.6163 1.1177 1.1434 1.2180 1.2247 1.5307 1.5521 1.7213 1.7358 2.1269 2.1277 2.2462 2.2561 2.4733 2.4871 2.5020 2.5117 3.0237 3.0248 3.0884 3.1423 3.1460 3.1488 3.2946 3.3313 3.8192 3.8762 3.9717 3.9789 4.9819 4.9908 5.0491 5.0537 8.3444 8.3456 11.1579 11.6094 11.7312 12.3502 12.9581 12.9584 k = 0.3333 0.5774 0.4114 ( 4638 PWs) bands (ev): -22.2835 -22.2835 -17.4156 -17.4145 -14.2227 -14.1987 -14.0775 -14.0505 -14.0387 -13.9889 -12.6547 -12.6536 -12.6488 -12.6477 -6.1956 -6.0592 -6.0499 -5.8814 -5.8019 -5.7907 -5.5311 -5.4775 -2.1172 -2.0424 -1.7348 -1.6259 -1.6133 -1.4476 -0.1712 -0.1652 0.4735 0.5152 0.6098 0.6163 1.1177 1.1434 1.2180 1.2247 1.5307 1.5521 1.7213 1.7358 2.1269 2.1277 2.2462 2.2561 2.4733 2.4871 2.5020 2.5117 3.0237 3.0248 3.0884 3.1423 3.1460 3.1488 3.2946 3.3313 3.8192 3.8762 3.9717 3.9789 4.9819 4.9908 5.0491 5.0537 8.3444 8.3456 11.1579 11.6094 11.7312 12.3502 12.9581 12.9584 k = 0.3256 0.5639 0.4114 ( 4640 PWs) bands (ev): -22.2835 -22.2835 -17.4157 -17.4146 -14.2228 -14.1989 -14.0778 -14.0538 -14.0349 -13.9882 -12.6546 -12.6536 -12.6487 -12.6476 -6.1966 -6.0617 -6.0492 -5.8808 -5.8026 -5.7907 -5.5298 -5.4764 -2.1173 -2.0427 -1.7351 -1.6330 -1.6059 -1.4471 -0.1717 -0.1656 0.4723 0.5130 0.6113 0.6172 1.1168 1.1431 1.2197 1.2286 1.5293 1.5506 1.7227 1.7372 2.1228 2.1295 2.2441 2.2540 2.4749 2.4894 2.5018 2.5116 3.0220 3.0263 3.0873 3.1319 3.1449 3.1627 3.2954 3.3316 3.8184 3.8754 3.9713 3.9786 4.9816 4.9904 5.0490 5.0537 8.3445 8.3457 11.1585 11.6083 11.7329 12.3498 12.9578 12.9585 k = 0.3178 0.5505 0.4114 ( 4640 PWs) bands (ev): -22.2835 -22.2835 -17.4163 -17.4152 -14.2230 -14.1994 -14.0788 -14.0591 -14.0279 -13.9859 -12.6546 -12.6535 -12.6485 -12.6474 -6.1997 -6.0666 -6.0495 -5.8790 -5.8045 -5.7910 -5.5261 -5.4731 -2.1177 -2.0437 -1.7361 -1.6437 -1.5943 -1.4457 -0.1728 -0.1666 0.4680 0.5062 0.6159 0.6206 1.1143 1.1422 1.2262 1.2386 1.5252 1.5461 1.7271 1.7413 2.1151 2.1288 2.2385 2.2493 2.4798 2.4953 2.5016 2.5115 3.0201 3.0280 3.0833 3.1174 3.1499 3.1798 3.2974 3.3324 3.8161 3.8728 3.9701 3.9778 4.9804 4.9893 5.0487 5.0536 8.3449 8.3461 11.1605 11.6055 11.7376 12.3485 12.9561 12.9592 k = 0.3101 0.5371 0.4114 ( 4644 PWs) bands (ev): -22.2835 -22.2835 -17.4172 -17.4161 -14.2232 -14.2001 -14.0801 -14.0642 -14.0202 -13.9825 -12.6544 -12.6534 -12.6481 -12.6470 -6.2050 -6.0736 -6.0513 -5.8764 -5.8071 -5.7918 -5.5201 -5.4674 -2.1184 -2.0452 -1.7376 -1.6544 -1.5824 -1.4435 -0.1745 -0.1682 0.4606 0.4951 0.6223 0.6274 1.1111 1.1409 1.2380 1.2529 1.5187 1.5389 1.7342 1.7480 2.1030 2.1233 2.2317 2.2444 2.4874 2.4993 2.5049 2.5125 3.0183 3.0291 3.0768 3.1031 3.1578 3.1982 3.3004 3.3337 3.8121 3.8685 3.9685 3.9767 4.9785 4.9874 5.0481 5.0534 8.3456 8.3467 11.1637 11.6021 11.7443 12.3465 12.9532 12.9600 k = 0.3023 0.5236 0.4114 ( 4646 PWs) bands (ev): -22.2835 -22.2835 -17.4185 -17.4174 -14.2234 -14.2011 -14.0816 -14.0686 -14.0120 -13.9780 -12.6541 -12.6532 -12.6475 -12.6465 -6.2125 -6.0833 -6.0535 -5.8737 -5.8100 -5.7932 -5.5120 -5.4591 -2.1194 -2.0471 -1.7396 -1.6647 -1.5707 -1.4407 -0.1767 -0.1700 0.4501 0.4809 0.6293 0.6368 1.1085 1.1402 1.2540 1.2702 1.5103 1.5297 1.7438 1.7569 2.0862 2.1114 2.2265 2.2412 2.4958 2.4995 2.5087 2.5197 3.0167 3.0297 3.0687 3.0893 3.1674 3.2172 3.3044 3.3354 3.8066 3.8624 3.9665 3.9756 4.9758 4.9848 5.0475 5.0533 8.3464 8.3475 11.1682 11.5987 11.7523 12.3438 12.9487 12.9607 k = 0.2946 0.5102 0.4114 ( 4648 PWs) bands (ev): -22.2836 -22.2836 -17.4202 -17.4191 -14.2236 -14.2022 -14.0831 -14.0723 -14.0037 -13.9728 -12.6537 -12.6528 -12.6468 -12.6458 -6.2221 -6.0962 -6.0551 -5.8715 -5.8129 -5.7950 -5.5020 -5.4484 -2.1205 -2.0494 -1.7421 -1.6745 -1.5595 -1.4376 -0.1790 -0.1720 0.4374 0.4648 0.6367 0.6469 1.1075 1.1411 1.2726 1.2891 1.5007 1.5191 1.7554 1.7677 2.0651 2.0927 2.2245 2.2402 2.4971 2.5034 2.5134 2.5312 3.0153 3.0296 3.0601 3.0764 3.1773 3.2362 3.3091 3.3379 3.7995 3.8549 3.9644 3.9743 4.9723 4.9812 5.0468 5.0531 8.3475 8.3486 11.1741 11.5959 11.7611 12.3406 12.9425 12.9609 k = 0.2868 0.4968 0.4114 ( 4648 PWs) bands (ev): -22.2836 -22.2836 -17.4223 -17.4213 -14.2236 -14.2033 -14.0845 -14.0752 -13.9951 -13.9669 -12.6532 -12.6524 -12.6459 -12.6450 -6.2338 -6.1121 -6.0560 -5.8705 -5.8153 -5.7970 -5.4904 -5.4356 -2.1219 -2.0520 -1.7450 -1.6837 -1.5490 -1.4344 -0.1814 -0.1741 0.4232 0.4475 0.6438 0.6564 1.1088 1.1445 1.2924 1.3084 1.4909 1.5084 1.7686 1.7799 2.0404 2.0688 2.2254 2.2416 2.4961 2.5040 2.5231 2.5431 3.0139 3.0282 3.0522 3.0650 3.1864 3.2541 3.3145 3.3416 3.7913 3.8461 3.9623 3.9731 4.9680 4.9769 5.0461 5.0530 8.3487 8.3498 11.1814 11.5940 11.7703 12.3369 12.9345 12.9602 k = 0.2791 0.4834 0.4114 ( 4652 PWs) bands (ev): -22.2836 -22.2836 -17.4249 -17.4239 -14.2236 -14.2045 -14.0856 -14.0773 -13.9865 -13.9605 -12.6525 -12.6518 -12.6448 -12.6439 -6.2474 -6.1305 -6.0562 -5.8711 -5.8171 -5.7990 -5.4772 -5.4209 -2.1235 -2.0547 -1.7482 -1.6921 -1.5394 -1.4313 -0.1838 -0.1760 0.4081 0.4297 0.6498 0.6642 1.1132 1.1509 1.3116 1.3260 1.4824 1.4991 1.7829 1.7932 2.0136 2.0415 2.2286 2.2450 2.4948 2.5032 2.5335 2.5544 3.0121 3.0248 3.0461 3.0559 3.1943 3.2698 3.3209 3.3465 3.7820 3.8364 3.9602 3.9720 4.9629 4.9717 5.0454 5.0529 8.3501 8.3512 11.1900 11.5934 11.7795 12.3327 12.9242 12.9583 k = 0.2713 0.4699 0.4114 ( 4648 PWs) bands (ev): -22.2837 -22.2837 -17.4279 -17.4270 -14.2234 -14.2056 -14.0863 -14.0787 -13.9778 -13.9538 -12.6517 -12.6510 -12.6436 -12.6427 -6.2627 -6.1511 -6.0560 -5.8735 -5.8180 -5.8010 -5.4626 -5.4046 -2.1253 -2.0574 -1.7517 -1.6998 -1.5309 -1.4286 -0.1859 -0.1777 0.3928 0.4121 0.6541 0.6698 1.1208 1.1606 1.3279 1.3395 1.4774 1.4935 1.7976 1.8068 1.9857 2.0128 2.2332 2.2501 2.4933 2.5020 2.5431 2.5644 3.0095 3.0191 3.0418 3.0505 3.2004 3.2816 3.3290 3.3529 3.7722 3.8262 3.9583 3.9709 4.9572 4.9658 5.0449 5.0528 8.3516 8.3527 11.1998 11.5941 11.7887 12.3281 12.9115 12.9546 k = 0.2636 0.4565 0.4114 ( 4656 PWs) bands (ev): -22.2837 -22.2837 -17.4314 -17.4305 -14.2230 -14.2066 -14.0866 -14.0793 -13.9691 -13.9469 -12.6507 -12.6500 -12.6422 -12.6413 -6.2796 -6.1735 -6.0555 -5.8773 -5.8183 -5.8031 -5.4469 -5.3872 -2.1273 -2.0600 -1.7554 -1.7065 -1.5237 -1.4265 -0.1878 -0.1791 0.3776 0.3948 0.6562 0.6728 1.1318 1.1735 1.3383 1.3458 1.4783 1.4947 1.8116 1.8196 1.9587 1.9847 2.2388 2.2565 2.4915 2.5005 2.5509 2.5724 3.0057 3.0124 3.0389 3.0489 3.2047 3.2887 3.3392 3.3600 3.7623 3.8161 3.9565 3.9699 4.9508 4.9592 5.0444 5.0528 8.3531 8.3542 11.2110 11.5962 11.7976 12.3229 12.8957 12.9485 k = 0.2558 0.4431 0.4114 ( 4644 PWs) bands (ev): -22.2838 -22.2838 -17.4353 -17.4345 -14.2226 -14.2076 -14.0863 -14.0792 -13.9604 -13.9397 -12.6495 -12.6489 -12.6406 -12.6397 -6.2979 -6.1974 -6.0548 -5.8821 -5.8182 -5.8050 -5.4301 -5.3689 -2.1296 -2.0625 -1.7594 -1.7122 -1.5179 -1.4253 -0.1894 -0.1802 0.3630 0.3783 0.6561 0.6731 1.1461 1.1896 1.3400 1.3443 1.4870 1.5044 1.8222 1.8294 1.9354 1.9604 2.2454 2.2640 2.4895 2.4987 2.5567 2.5783 3.0009 3.0059 3.0381 3.0495 3.2073 3.2918 3.3506 3.3672 3.7528 3.8065 3.9550 3.9690 4.9440 4.9521 5.0441 5.0529 8.3546 8.3558 11.2234 11.5996 11.8063 12.3174 12.8766 12.9394 k = 0.2481 0.4297 0.4114 ( 4636 PWs) bands (ev): -22.2838 -22.2838 -17.4397 -17.4389 -14.2220 -14.2085 -14.0854 -14.0783 -13.9517 -13.9325 -12.6481 -12.6475 -12.6389 -12.6379 -6.3175 -6.2225 -6.0539 -5.8876 -5.8180 -5.8069 -5.4125 -5.3500 -2.1320 -2.0648 -1.7636 -1.7170 -1.5135 -1.4251 -0.1905 -0.1808 0.3492 0.3627 0.6536 0.6708 1.1632 1.2084 1.3323 1.3370 1.5031 1.5216 1.8237 1.8316 1.9215 1.9450 2.2528 2.2724 2.4871 2.4964 2.5601 2.5817 2.9961 3.0003 3.0390 3.0512 3.2085 3.2920 3.3617 3.3738 3.7443 3.7979 3.9538 3.9681 4.9368 4.9445 5.0440 5.0531 8.3561 8.3573 11.2369 11.6044 11.8146 12.3113 12.8537 12.9266 k = 0.2403 0.4162 0.4114 ( 4632 PWs) bands (ev): -22.2839 -22.2839 -17.4444 -17.4437 -14.2214 -14.2094 -14.0838 -14.0766 -13.9431 -13.9252 -12.6465 -12.6460 -12.6370 -12.6360 -6.3383 -6.2487 -6.0529 -5.8935 -5.8178 -5.8087 -5.3942 -5.3308 -2.1345 -2.0668 -1.7680 -1.7207 -1.5107 -1.4261 -0.1913 -0.1811 0.3364 0.3483 0.6489 0.6660 1.1827 1.2290 1.3189 1.3252 1.5244 1.5435 1.8112 1.8213 1.9223 1.9435 2.2610 2.2817 2.4841 2.4936 2.5609 2.5822 2.9919 2.9958 3.0411 3.0536 3.2084 3.2905 3.3714 3.3792 3.7371 3.7907 3.9528 3.9673 4.9294 4.9366 5.0440 5.0534 8.3574 8.3587 11.2514 11.6104 11.8225 12.3048 12.8268 12.9094 k = 0.2326 0.4028 0.4114 ( 4632 PWs) bands (ev): -22.2840 -22.2840 -17.4496 -17.4489 -14.2209 -14.2103 -14.0814 -14.0740 -13.9347 -13.9179 -12.6448 -12.6443 -12.6349 -12.6338 -6.3600 -6.2756 -6.0519 -5.8995 -5.8178 -5.8104 -5.3755 -5.3114 -2.1372 -2.0686 -1.7723 -1.7235 -1.5095 -1.4283 -0.1915 -0.1809 0.3246 0.3351 0.6424 0.6593 1.2037 1.2502 1.3036 1.3104 1.5488 1.5681 1.7885 1.8003 1.9348 1.9541 2.2701 2.2919 2.4805 2.4902 2.5590 2.5800 2.9887 2.9925 3.0439 3.0564 3.2073 3.2876 3.3790 3.3833 3.7317 3.7853 3.9520 3.9665 4.9220 4.9286 5.0442 5.0538 8.3586 8.3599 11.2669 11.6175 11.8301 12.2978 12.7957 12.8874 k = 0.2248 0.3894 0.4114 ( 4636 PWs) bands (ev): -22.2841 -22.2841 -17.4551 -17.4545 -14.2205 -14.2112 -14.0781 -14.0705 -13.9263 -13.9107 -12.6428 -12.6424 -12.6326 -12.6316 -6.3827 -6.3033 -6.0508 -5.9055 -5.8179 -5.8121 -5.3564 -5.2920 -2.1399 -2.0700 -1.7765 -1.7255 -1.5099 -1.4319 -0.1913 -0.1803 0.3140 0.3231 0.6342 0.6508 1.2248 1.2649 1.2913 1.2976 1.5749 1.5939 1.7612 1.7740 1.9531 1.9716 2.2801 2.3028 2.4761 2.4861 2.5545 2.5749 2.9866 2.9903 3.0471 3.0596 3.2055 3.2837 3.3836 3.3870 3.7280 3.7816 3.9514 3.9658 4.9148 4.9208 5.0445 5.0542 8.3595 8.3609 11.2832 11.6257 11.8373 12.2903 12.7606 12.8606 k = 0.2171 0.3759 0.4114 ( 4632 PWs) bands (ev): -22.2842 -22.2841 -17.4610 -17.4604 -14.2204 -14.2123 -14.0739 -14.0661 -13.9181 -13.9035 -12.6407 -12.6402 -12.6302 -12.6291 -6.4060 -6.3314 -6.0498 -5.9114 -5.8181 -5.8136 -5.3372 -5.2727 -2.1426 -2.0712 -1.7805 -1.7267 -1.5119 -1.4368 -0.1907 -0.1793 0.3047 0.3125 0.6246 0.6409 1.2404 1.2596 1.2790 1.3099 1.6017 1.6201 1.7324 1.7461 1.9744 1.9927 2.2911 2.3145 2.4709 2.4810 2.5474 2.5672 2.9855 2.9889 3.0504 3.0629 3.2033 3.2792 3.3853 3.3909 3.7261 3.7797 3.9510 3.9650 4.9080 4.9133 5.0449 5.0547 8.3601 8.3617 11.3002 11.6346 11.8442 12.2822 12.7219 12.8292 k = 0.2093 0.3625 0.4114 ( 4624 PWs) bands (ev): -22.2842 -22.2842 -17.4672 -17.4666 -14.2204 -14.2135 -14.0687 -14.0608 -13.9101 -13.8965 -12.6384 -12.6379 -12.6277 -12.6266 -6.4299 -6.3599 -6.0487 -5.9171 -5.8185 -5.8151 -5.3180 -5.2537 -2.1452 -2.0721 -1.7842 -1.7273 -1.5153 -1.4431 -0.1896 -0.1778 0.2965 0.3031 0.6140 0.6299 1.2328 1.2489 1.2843 1.3321 1.6286 1.6458 1.7039 1.7187 1.9972 2.0159 2.3031 2.3268 2.4648 2.4751 2.5382 2.5570 2.9849 2.9879 3.0536 3.0665 3.2011 3.2743 3.3859 3.3942 3.7255 3.7793 3.9507 3.9641 4.9019 4.9064 5.0455 5.0553 8.3604 8.3620 11.3176 11.6442 11.8507 12.2735 12.6802 12.7942 k = 0.2016 0.3491 0.4114 ( 4636 PWs) bands (ev): -22.2843 -22.2843 -17.4737 -17.4732 -14.2208 -14.2148 -14.0626 -14.0546 -13.9023 -13.8896 -12.6359 -12.6354 -12.6250 -12.6239 -6.4542 -6.3886 -6.0476 -5.9227 -5.8191 -5.8165 -5.2990 -5.2351 -2.1477 -2.0729 -1.7874 -1.7274 -1.5202 -1.4507 -0.1882 -0.1761 0.2894 0.2950 0.6026 0.6181 1.2152 1.2322 1.3032 1.3546 1.6548 1.6655 1.6815 1.6941 2.0207 2.0402 2.3158 2.3393 2.4579 2.4681 2.5269 2.5445 2.9843 2.9867 3.0567 3.0703 3.1991 3.2695 3.3864 3.3970 3.7260 3.7800 3.9504 3.9629 4.8967 4.9003 5.0462 5.0560 8.3603 8.3620 11.3354 11.6543 11.8569 12.2641 12.6362 12.7563 k = 0.1938 0.3357 0.4114 ( 4636 PWs) bands (ev): -22.2844 -22.2844 -17.4804 -17.4799 -14.2216 -14.2164 -14.0554 -14.0475 -13.8946 -13.8828 -12.6332 -12.6328 -12.6223 -12.6211 -6.4789 -6.4174 -6.0466 -5.9280 -5.8199 -5.8178 -5.2802 -5.2170 -2.1499 -2.0734 -1.7901 -1.7270 -1.5263 -1.4595 -0.1863 -0.1740 0.2834 0.2881 0.5906 0.6058 1.1965 1.2145 1.3225 1.3750 1.6482 1.6667 1.6833 1.7009 2.0445 2.0651 2.3292 2.3516 2.4505 2.4603 2.5141 2.5302 2.9831 2.9846 3.0597 3.0745 3.1979 3.2653 3.3874 3.3998 3.7271 3.7813 3.9498 3.9614 4.8926 4.8954 5.0470 5.0568 8.3597 8.3615 11.3534 11.6647 11.8626 12.2539 12.5909 12.7167 k = 0.1860 0.3222 0.4114 ( 4644 PWs) bands (ev): -22.2846 -22.2846 -17.4874 -17.4869 -14.2227 -14.2182 -14.0474 -14.0395 -13.8872 -13.8762 -12.6304 -12.6300 -12.6194 -12.6182 -6.5038 -6.4462 -6.0455 -5.9332 -5.8207 -5.8190 -5.2616 -5.1993 -2.1520 -2.0739 -1.7922 -1.7262 -1.5336 -1.4695 -0.1843 -0.1717 0.2784 0.2823 0.5781 0.5930 1.1783 1.1971 1.3388 1.3909 1.6283 1.6496 1.7078 1.7244 2.0682 2.0900 2.3424 2.3623 2.4433 2.4521 2.5005 2.5142 2.9806 2.9811 3.0627 3.0794 3.1981 3.2623 3.3895 3.4030 3.7285 3.7828 3.9488 3.9594 4.8898 4.8920 5.0480 5.0576 8.3586 8.3605 11.3712 11.6752 11.8679 12.2426 12.5453 12.6762 k = 0.1783 0.3088 0.4114 ( 4640 PWs) bands (ev): -22.2847 -22.2847 -17.4945 -17.4941 -14.2241 -14.2202 -14.0385 -14.0308 -13.8800 -13.8698 -12.6274 -12.6270 -12.6165 -12.6153 -6.5287 -6.4749 -6.0445 -5.9381 -5.8216 -5.8200 -5.2435 -5.1823 -2.1538 -2.0743 -1.7938 -1.7251 -1.5419 -1.4805 -0.1820 -0.1693 0.2744 0.2777 0.5655 0.5800 1.1609 1.1804 1.3500 1.3998 1.6150 1.6375 1.7323 1.7477 2.0915 2.1146 2.3541 2.3691 2.4375 2.4441 2.4874 2.4972 2.9753 2.9767 3.0657 3.0852 3.2001 3.2610 3.3927 3.4068 3.7299 3.7843 3.9472 3.9566 4.8884 4.8903 5.0491 5.0585 8.3570 8.3589 11.3887 11.6858 11.8724 12.2299 12.5004 12.6359 k = 0.1705 0.2954 0.4114 ( 4644 PWs) bands (ev): -22.2848 -22.2848 -17.5017 -17.5013 -14.2258 -14.2224 -14.0289 -14.0214 -13.8730 -13.8636 -12.6243 -12.6239 -12.6135 -12.6123 -6.5536 -6.5033 -6.0434 -5.9428 -5.8226 -5.8210 -5.2258 -5.1659 -2.1552 -2.0747 -1.7948 -1.7237 -1.5511 -1.4924 -0.1796 -0.1668 0.2713 0.2741 0.5528 0.5669 1.1445 1.1648 1.3545 1.3994 1.6108 1.6332 1.7560 1.7703 2.1139 2.1386 2.3618 2.3691 2.4332 2.4377 2.4772 2.4808 2.9679 2.9706 3.0689 3.0921 3.2043 3.2617 3.3974 3.4115 3.7311 3.7855 3.9448 3.9529 4.8885 4.8906 5.0503 5.0596 8.3548 8.3568 11.4056 11.6964 11.8758 12.2155 12.4575 12.5965 k = 0.1628 0.2820 0.4114 ( 4652 PWs) bands (ev): -22.2849 -22.2849 -17.5090 -17.5087 -14.2278 -14.2248 -14.0186 -14.0115 -13.8662 -13.8575 -12.6211 -12.6207 -12.6105 -12.6093 -6.5783 -6.5314 -6.0424 -5.9473 -5.8236 -5.8220 -5.2087 -5.1503 -2.1564 -2.0752 -1.7951 -1.7221 -1.5609 -1.5050 -0.1772 -0.1645 0.2691 0.2715 0.5400 0.5538 1.1295 1.1503 1.3513 1.3898 1.6158 1.6375 1.7787 1.7918 2.1353 2.1615 2.3612 2.3626 2.4241 2.4353 2.4653 2.4775 2.9588 2.9628 3.0719 3.0999 3.2110 3.2646 3.4035 3.4171 3.7320 3.7861 3.9411 3.9481 4.8902 4.8930 5.0516 5.0607 8.3520 8.3540 11.4217 11.7069 11.8777 12.1989 12.4176 12.5587 k = 0.1550 0.2685 0.4114 ( 4652 PWs) bands (ev): -22.2850 -22.2850 -17.5163 -17.5161 -14.2301 -14.2273 -14.0078 -14.0011 -13.8596 -13.8517 -12.6178 -12.6174 -12.6075 -12.6063 -6.6027 -6.5590 -6.0413 -5.9516 -5.8245 -5.8230 -5.1921 -5.1353 -2.1572 -2.0758 -1.7948 -1.7204 -1.5711 -1.5181 -0.1750 -0.1622 0.2677 0.2700 0.5274 0.5407 1.1158 1.1371 1.3412 1.3728 1.6284 1.6495 1.8005 1.8123 2.1551 2.1828 2.3485 2.3550 2.4095 2.4274 2.4632 2.4850 2.9487 2.9537 3.0748 3.1081 3.2203 3.2698 3.4108 3.4237 3.7326 3.7863 3.9361 3.9421 4.8938 4.8974 5.0531 5.0620 8.3486 8.3507 11.4366 11.7173 11.8775 12.1799 12.3820 12.5232 k = 0.1473 0.2551 0.4114 ( 4644 PWs) bands (ev): -22.2851 -22.2851 -17.5237 -17.5234 -14.2325 -14.2300 -13.9966 -13.9903 -13.8533 -13.8460 -12.6144 -12.6141 -12.6045 -12.6033 -6.6266 -6.5860 -6.0402 -5.9557 -5.8254 -5.8239 -5.1761 -5.1211 -2.1576 -2.0765 -1.7939 -1.7187 -1.5817 -1.5316 -0.1729 -0.1603 0.2673 0.2695 0.5149 0.5278 1.1037 1.1253 1.3257 1.3514 1.6464 1.6672 1.8213 1.8319 2.1725 2.2015 2.3325 2.3424 2.3924 2.4115 2.4731 2.4969 2.9383 2.9441 3.0771 3.1162 3.2323 3.2774 3.4193 3.4311 3.7328 3.7858 3.9295 3.9348 4.8994 4.9037 5.0547 5.0634 8.3447 8.3467 11.4501 11.7278 11.8744 12.1585 12.3515 12.4906 k = 0.1395 0.2417 0.4114 ( 4652 PWs) bands (ev): -22.2852 -22.2852 -17.5309 -17.5307 -14.2351 -14.2328 -13.9852 -13.9793 -13.8471 -13.8405 -12.6110 -12.6107 -12.6015 -12.6003 -6.6501 -6.6124 -6.0391 -5.9596 -5.8263 -5.8248 -5.1608 -5.1078 -2.1578 -2.0774 -1.7925 -1.7168 -1.5924 -1.5453 -0.1712 -0.1589 0.2678 0.2700 0.5026 0.5150 1.0930 1.1149 1.3066 1.3277 1.6680 1.6885 1.8410 1.8504 2.1863 2.2156 2.3157 2.3278 2.3747 2.3941 2.4869 2.5102 2.9284 2.9346 3.0787 3.1236 3.2469 3.2874 3.4287 3.4395 3.7327 3.7847 3.9212 3.9264 4.9068 4.9117 5.0565 5.0650 8.3402 8.3422 11.4618 11.7383 11.8676 12.1354 12.3265 12.4610 k = 0.1318 0.2283 0.4114 ( 4656 PWs) bands (ev): -22.2854 -22.2853 -17.5381 -17.5379 -14.2378 -14.2356 -13.9736 -13.9682 -13.8411 -13.8352 -12.6076 -12.6073 -12.5985 -12.5974 -6.6730 -6.6380 -6.0379 -5.9634 -5.8271 -5.8257 -5.1462 -5.0952 -2.1576 -2.0786 -1.7904 -1.7151 -1.6031 -1.5590 -0.1700 -0.1579 0.2693 0.2716 0.4905 0.5024 1.0838 1.1059 1.2855 1.3031 1.6919 1.7119 1.8597 1.8679 2.1942 2.2210 2.3013 2.3144 2.3585 2.3779 2.5012 2.5231 2.9196 2.9259 3.0794 3.1296 3.2639 3.2997 3.4389 3.4486 3.7323 3.7831 3.9113 3.9166 4.9159 4.9215 5.0585 5.0667 8.3351 8.3371 11.4715 11.7490 11.8564 12.1121 12.3065 12.4347 k = 0.1240 0.2148 0.4114 ( 4656 PWs) bands (ev): -22.2855 -22.2855 -17.5451 -17.5450 -14.2405 -14.2385 -13.9621 -13.9572 -13.8352 -13.8300 -12.6042 -12.6038 -12.5957 -12.5946 -6.6951 -6.6628 -6.0368 -5.9671 -5.8278 -5.8266 -5.1322 -5.0835 -2.1571 -2.0800 -1.7878 -1.7133 -1.6135 -1.5726 -0.1692 -0.1575 0.2718 0.2742 0.4786 0.4900 1.0762 1.0984 1.2633 1.2786 1.7173 1.7364 1.8775 1.8845 2.1931 2.2133 2.2911 2.3045 2.3471 2.3653 2.5146 2.5348 2.9125 2.9188 3.0791 3.1338 3.2831 3.3144 3.4496 3.4585 3.7317 3.7810 3.8998 3.9057 4.9267 4.9327 5.0607 5.0686 8.3295 8.3315 11.4790 11.7597 11.8405 12.0898 12.2911 12.4116 k = 0.1163 0.2014 0.4114 ( 4644 PWs) bands (ev): -22.2856 -22.2856 -17.5520 -17.5519 -14.2433 -14.2413 -13.9507 -13.9464 -13.8295 -13.8249 -12.6008 -12.6005 -12.5929 -12.5918 -6.7164 -6.6866 -6.0355 -5.9706 -5.8285 -5.8274 -5.1190 -5.0726 -2.1564 -2.0817 -1.7847 -1.7117 -1.6237 -1.5859 -0.1690 -0.1578 0.2753 0.2778 0.4669 0.4778 1.0700 1.0921 1.2411 1.2548 1.7433 1.7613 1.8943 1.9002 2.1814 2.1941 2.2821 2.2942 2.3456 2.3597 2.5264 2.5445 2.9075 2.9137 3.0777 3.1360 3.3041 3.3313 3.4608 3.4689 3.7308 3.7785 3.8869 3.8935 4.9388 4.9451 5.0630 5.0707 8.3235 8.3254 11.4842 11.7697 11.8208 12.0698 12.2794 12.3913 k = 0.1085 0.1880 0.4114 ( 4644 PWs) bands (ev): -22.2857 -22.2857 -17.5586 -17.5585 -14.2460 -14.2442 -13.9397 -13.9359 -13.8239 -13.8199 -12.5975 -12.5972 -12.5902 -12.5892 -6.7368 -6.7094 -6.0343 -5.9740 -5.8292 -5.8282 -5.1064 -5.0625 -2.1554 -2.0837 -1.7811 -1.7103 -1.6333 -1.5988 -0.1694 -0.1588 0.2798 0.2824 0.4555 0.4657 1.0652 1.0872 1.2193 1.2322 1.7694 1.7861 1.9101 1.9149 2.1612 2.1685 2.2710 2.2800 2.3522 2.3637 2.5359 2.5520 2.9051 2.9108 3.0751 3.1358 3.3265 3.3500 3.4721 3.4798 3.7297 3.7756 3.8730 3.8803 4.9520 4.9584 5.0655 5.0729 8.3171 8.3190 11.4869 11.7734 11.8035 12.0527 12.2706 12.3733 k = 0.1008 0.1745 0.4114 ( 4648 PWs) bands (ev): -22.2858 -22.2858 -17.5649 -17.5648 -14.2487 -14.2470 -13.9291 -13.9258 -13.8184 -13.8150 -12.5943 -12.5940 -12.5876 -12.5867 -6.7562 -6.7311 -6.0330 -5.9773 -5.8298 -5.8289 -5.0946 -5.0533 -2.1542 -2.0859 -1.7771 -1.7092 -1.6424 -1.6111 -0.1703 -0.1603 0.2851 0.2878 0.4443 0.4539 1.0618 1.0833 1.1984 1.2111 1.7954 1.8105 1.9248 1.9287 2.1358 2.1397 2.2570 2.2637 2.3625 2.3756 2.5429 2.5570 2.9051 2.9103 3.0715 3.1335 3.3499 3.3701 3.4835 3.4909 3.7285 3.7724 3.8582 3.8663 4.9660 4.9724 5.0682 5.0752 8.3105 8.3123 11.4872 11.7555 11.8053 12.0384 12.2641 12.3571 k = 0.0930 0.1611 0.4114 ( 4652 PWs) bands (ev): -22.2859 -22.2859 -17.5709 -17.5709 -14.2513 -14.2497 -13.9190 -13.9162 -13.8131 -13.8102 -12.5912 -12.5909 -12.5852 -12.5843 -6.7745 -6.7516 -6.0317 -5.9804 -5.8303 -5.8296 -5.0836 -5.0450 -2.1529 -2.0885 -1.7728 -1.7083 -1.6508 -1.6228 -0.1718 -0.1625 0.2913 0.2941 0.4334 0.4424 1.0595 1.0806 1.1789 1.1915 1.8208 1.8342 1.9385 1.9415 2.1075 2.1095 2.2413 2.2467 2.3755 2.3911 2.5476 2.5597 2.9075 2.9123 3.0670 3.1290 3.3739 3.3913 3.4948 3.5021 3.7270 3.7688 3.8429 3.8515 4.9804 4.9868 5.0710 5.0776 8.3036 8.3053 11.4853 11.7265 11.8168 12.0270 12.2592 12.3420 k = 0.0853 0.1477 0.4114 ( 4662 PWs) bands (ev): -22.2860 -22.2860 -17.5766 -17.5766 -14.2538 -14.2523 -13.9096 -13.9074 -13.8078 -13.8055 -12.5883 -12.5879 -12.5829 -12.5821 -6.7915 -6.7709 -6.0303 -5.9835 -5.8309 -5.8303 -5.0733 -5.0375 -2.1514 -2.0913 -1.7681 -1.7078 -1.6584 -1.6337 -0.1737 -0.1651 0.2981 0.3009 0.4228 0.4312 1.0583 1.0786 1.1611 1.1737 1.8454 1.8570 1.9510 1.9534 2.0777 2.0789 2.2251 2.2295 2.3902 2.4077 2.5499 2.5603 2.9119 2.9163 3.0615 3.1227 3.3981 3.4130 3.5059 3.5131 3.7254 3.7650 3.8273 3.8364 4.9951 5.0012 5.0739 5.0801 8.2967 8.2983 11.4816 11.6951 11.8304 12.0182 12.2551 12.3275 k = 0.0775 0.1343 0.4114 ( 4654 PWs) bands (ev): -22.2861 -22.2860 -17.5819 -17.5819 -14.2561 -14.2547 -13.9011 -13.8992 -13.8026 -13.8008 -12.5855 -12.5851 -12.5807 -12.5801 -6.8074 -6.7888 -6.0289 -5.9864 -5.8313 -5.8309 -5.0637 -5.0308 -2.1498 -2.0943 -1.7633 -1.7077 -1.6651 -1.6438 -0.1759 -0.1681 0.3053 0.3082 0.4126 0.4204 1.0581 1.0774 1.1452 1.1577 1.8690 1.8788 1.9621 1.9644 2.0475 2.0489 2.2090 2.2126 2.4060 2.4245 2.5504 2.5593 2.9181 2.9220 3.0554 3.1147 3.4221 3.4348 3.5166 3.5239 3.7235 3.7608 3.8117 3.8212 5.0095 5.0153 5.0769 5.0827 8.2898 8.2913 11.4763 11.6632 11.8451 12.0119 12.2512 12.3130 k = 0.0698 0.1208 0.4114 ( 4654 PWs) bands (ev): -22.2861 -22.2861 -17.5868 -17.5868 -14.2583 -14.2571 -13.8933 -13.8919 -13.7976 -13.7963 -12.5829 -12.5825 -12.5787 -12.5782 -6.8218 -6.8053 -6.0274 -5.9893 -5.8317 -5.8314 -5.0549 -5.0250 -2.1481 -2.0975 -1.7582 -1.7080 -1.6709 -1.6531 -0.1784 -0.1714 0.3128 0.3156 0.4030 0.4100 1.0587 1.0767 1.1315 1.1436 1.8913 1.8995 1.9713 1.9742 2.0179 2.0207 2.1934 2.1962 2.4221 2.4410 2.5494 2.5571 2.9255 2.9291 3.0487 3.1053 3.4455 3.4564 3.5268 3.5341 3.7215 3.7565 3.7964 3.8061 5.0236 5.0289 5.0800 5.0853 8.2832 8.2845 11.4701 11.6320 11.8604 12.0077 12.2471 12.2984 k = 0.0620 0.1074 0.4114 ( 4646 PWs) bands (ev): -22.2862 -22.2862 -17.5913 -17.5913 -14.2603 -14.2592 -13.8864 -13.8854 -13.7929 -13.7919 -12.5806 -12.5802 -12.5769 -12.5765 -6.8349 -6.8203 -6.0258 -5.9920 -5.8321 -5.8318 -5.0468 -5.0201 -2.1462 -2.1009 -1.7532 -1.7087 -1.6759 -1.6614 -0.1810 -0.1748 0.3202 0.3230 0.3940 0.4003 1.0599 1.0762 1.1200 1.1314 1.9117 1.9189 1.9743 1.9830 1.9898 1.9988 2.1786 2.1805 2.4382 2.4567 2.5472 2.5542 2.9336 2.9369 3.0418 3.0949 3.4680 3.4772 3.5364 3.5436 3.7194 3.7519 3.7817 3.7915 5.0369 5.0417 5.0832 5.0880 8.2767 8.2780 11.4633 11.6020 11.8763 12.0056 12.2424 12.2835 k = 0.0543 0.0940 0.4114 ( 4654 PWs) bands (ev): -22.2863 -22.2863 -17.5953 -17.5953 -14.2621 -14.2611 -13.8805 -13.8797 -13.7884 -13.7877 -12.5785 -12.5781 -12.5753 -12.5749 -6.8465 -6.8339 -6.0242 -5.9947 -5.8324 -5.8323 -5.0395 -5.0159 -2.1443 -2.1043 -1.7481 -1.7099 -1.6799 -1.6688 -0.1836 -0.1781 0.3275 0.3302 0.3856 0.3912 1.0616 1.0755 1.1109 1.1211 1.9283 1.9361 1.9602 1.9651 1.9908 1.9960 2.1645 2.1657 2.4538 2.4712 2.5444 2.5512 2.9420 2.9452 3.0348 3.0836 3.4892 3.4969 3.5451 3.5523 3.7172 3.7470 3.7680 3.7777 5.0492 5.0534 5.0864 5.0905 8.2707 8.2718 11.4566 11.5739 11.8925 12.0050 12.2368 12.2684 k = 0.0465 0.0806 0.4114 ( 4670 PWs) bands (ev): -22.2863 -22.2863 -17.5988 -17.5988 -14.2637 -14.2628 -13.8754 -13.8749 -13.7843 -13.7838 -12.5766 -12.5762 -12.5738 -12.5736 -6.8566 -6.8458 -6.0226 -5.9973 -5.8327 -5.8326 -5.0330 -5.0126 -2.1423 -2.1078 -1.7432 -1.7112 -1.6833 -1.6753 -0.1860 -0.1814 0.3344 0.3369 0.3781 0.3830 1.0634 1.0744 1.1043 1.1126 1.9275 1.9343 1.9566 1.9592 1.9974 2.0008 2.1515 2.1518 2.4688 2.4840 2.5412 2.5483 2.9504 2.9533 3.0282 3.0719 3.5087 3.5150 3.5531 3.5598 3.7150 3.7418 3.7556 3.7649 5.0601 5.0636 5.0896 5.0930 8.2652 8.2662 11.4504 11.5479 11.9089 12.0055 12.2305 12.2533 k = 0.0388 0.0671 0.4114 ( 4670 PWs) bands (ev): -22.2864 -22.2864 -17.6018 -17.6018 -14.2650 -14.2643 -13.8712 -13.8708 -13.7806 -13.7803 -12.5751 -12.5747 -12.5725 -12.5724 -6.8650 -6.8561 -6.0208 -5.9998 -5.8330 -5.8329 -5.0271 -5.0101 -2.1402 -2.1113 -1.7384 -1.7127 -1.6860 -1.6809 -0.1882 -0.1844 0.3407 0.3429 0.3716 0.3757 1.0651 1.0729 1.1000 1.1061 1.9100 1.9139 1.9709 1.9719 2.0029 2.0056 2.1390 2.1395 2.4826 2.4948 2.5383 2.5461 2.9583 2.9610 3.0224 3.0602 3.5263 3.5312 3.5603 3.5663 3.7129 3.7360 3.7452 3.7534 5.0696 5.0722 5.0929 5.0954 8.2604 8.2612 11.4454 11.5245 11.9253 12.0066 12.2235 12.2388 k = 0.0310 0.0537 0.4114 ( 4666 PWs) bands (ev): -22.2864 -22.2864 -17.6043 -17.6043 -14.2661 -14.2656 -13.8679 -13.8676 -13.7775 -13.7773 -12.5738 -12.5734 -12.5714 -12.5713 -6.8718 -6.8648 -6.0190 -6.0022 -5.8332 -5.8332 -5.0220 -5.0083 -2.1379 -2.1148 -1.7340 -1.7143 -1.6884 -1.6854 -0.1901 -0.1870 0.3461 0.3480 0.3662 0.3695 1.0665 1.0710 1.0974 1.1015 1.8926 1.8955 1.9845 1.9858 2.0073 2.0096 2.1275 2.1286 2.4946 2.5030 2.5360 2.5447 2.9655 2.9679 3.0175 3.0488 3.5414 3.5448 3.5668 3.5715 3.7110 3.7291 3.7376 3.7435 5.0772 5.0789 5.0962 5.0978 8.2563 8.2569 11.4419 11.5037 11.9413 12.0074 12.2163 12.2254 k = 0.0233 0.0403 0.4114 ( 4654 PWs) bands (ev): -22.2865 -22.2865 -17.6062 -17.6062 -14.2670 -14.2665 -13.8653 -13.8651 -13.7749 -13.7749 -12.5728 -12.5725 -12.5705 -12.5705 -6.8770 -6.8717 -6.0172 -6.0046 -5.8334 -5.8333 -5.0177 -5.0073 -2.1355 -2.1182 -1.7299 -1.7157 -1.6904 -1.6890 -0.1916 -0.1893 0.3506 0.3520 0.3620 0.3645 1.0673 1.0694 1.0960 1.0988 1.8784 1.8804 1.9964 1.9979 2.0107 2.0126 2.1176 2.1190 2.5042 2.5086 2.5350 2.5442 2.9717 2.9736 3.0141 3.0383 3.5536 3.5553 3.5729 3.5758 3.7096 3.7220 3.7325 3.7356 5.0829 5.0837 5.0994 5.1002 8.2530 8.2535 11.4403 11.4859 11.9567 12.0073 12.2094 12.2140 k = 0.0155 0.0269 0.4114 ( 4670 PWs) bands (ev): -22.2865 -22.2865 -17.6076 -17.6076 -14.2676 -14.2673 -13.8635 -13.8634 -13.7731 -13.7731 -12.5721 -12.5719 -12.5699 -12.5699 -6.8805 -6.8769 -6.0153 -6.0069 -5.8335 -5.8335 -5.0141 -5.0072 -2.1330 -2.1214 -1.7263 -1.7173 -1.6920 -1.6915 -0.1925 -0.1910 0.3539 0.3549 0.3591 0.3607 1.0675 1.0681 1.0952 1.0972 1.8679 1.8692 2.0061 2.0073 2.0132 2.0147 2.1098 2.1111 2.5104 2.5118 2.5358 2.5439 2.9767 2.9780 3.0124 3.0289 3.5619 3.5625 3.5782 3.5793 3.7086 3.7160 3.7287 3.7298 5.0866 5.0869 5.1021 5.1023 8.2507 8.2510 11.4410 11.4710 11.9709 12.0054 12.2035 12.2053 k = 0.0078 0.0134 0.4114 ( 4672 PWs) bands (ev): -22.2865 -22.2865 -17.6085 -17.6085 -14.2679 -14.2678 -13.8624 -13.8623 -13.7720 -13.7720 -12.5717 -12.5716 -12.5695 -12.5695 -6.8822 -6.8804 -6.0133 -6.0091 -5.8336 -5.8336 -5.0112 -5.0078 -2.1304 -2.1246 -1.7233 -1.7189 -1.6931 -1.6930 -0.1930 -0.1922 0.3560 0.3563 0.3577 0.3583 1.0673 1.0674 1.0952 1.0963 1.8616 1.8622 2.0126 2.0129 2.0150 2.0161 2.1047 2.1056 2.5133 2.5134 2.5383 2.5430 2.9801 2.9807 3.0128 3.0212 3.5662 3.5667 3.5820 3.5821 3.7083 3.7116 3.7262 3.7264 5.0886 5.0886 5.1038 5.1039 8.2493 8.2494 11.4443 11.4591 11.9834 12.0009 12.1995 12.1999 k = 0.0000 0.0000 0.4114 ( 4680 PWs) bands (ev): -22.2865 -22.2865 -17.6088 -17.6088 -14.2680 -14.2680 -13.8620 -13.8620 -13.7716 -13.7716 -12.5715 -12.5715 -12.5694 -12.5694 -6.8822 -6.8822 -6.0112 -6.0112 -5.8336 -5.8336 -5.0091 -5.0091 -2.1275 -2.1275 -1.7209 -1.7209 -1.6935 -1.6935 -0.1929 -0.1929 0.3565 0.3565 0.3576 0.3576 1.0672 1.0672 1.0956 1.0956 1.8597 1.8597 2.0144 2.0144 2.0165 2.0165 2.1033 2.1033 2.5140 2.5140 2.5411 2.5411 2.9814 2.9814 3.0158 3.0158 3.5678 3.5678 3.5833 3.5833 3.7092 3.7092 3.7253 3.7253 5.0892 5.0892 5.1044 5.1044 8.2488 8.2488 11.4503 11.4503 11.9935 11.9935 12.1980 12.1980 k = 0.5000 0.2887 0.4114 ( 4640 PWs) bands (ev): -22.2838 -22.2838 -17.4375 -17.4375 -14.2384 -14.2384 -14.1207 -14.1207 -13.8731 -13.8731 -12.6566 -12.6566 -12.6387 -12.6387 -6.3104 -6.3104 -5.9555 -5.9555 -5.7885 -5.7885 -5.3834 -5.3834 -2.1382 -2.1382 -1.7393 -1.7393 -1.3872 -1.3872 -0.2836 -0.2836 0.5237 0.5237 0.5842 0.5842 1.2609 1.2609 1.3089 1.3089 1.4910 1.4910 1.8442 1.8442 2.0141 2.0141 2.2023 2.2023 2.3122 2.3122 2.5246 2.5246 2.9337 2.9337 3.1759 3.1759 3.3811 3.3811 3.5603 3.5603 3.7217 3.7217 3.7347 3.7347 4.9660 4.9660 4.9962 4.9962 8.3692 8.3692 11.3476 11.3476 12.1067 12.1067 12.9562 12.9562 k = 0.5000 0.2887 0.3962 ( 4638 PWs) bands (ev): -22.2838 -22.2838 -17.4376 -17.4376 -14.2393 -14.2375 -14.1216 -14.1196 -13.8734 -13.8729 -12.6566 -12.6565 -12.6388 -12.6387 -6.3165 -6.3041 -5.9684 -5.9434 -5.7918 -5.7861 -5.3876 -5.3777 -2.1422 -2.1337 -1.7405 -1.7373 -1.3896 -1.3855 -0.2838 -0.2836 0.5236 0.5238 0.5844 0.5850 1.2605 1.2610 1.3087 1.3092 1.4902 1.4910 1.8444 1.8452 2.0123 2.0144 2.2016 2.2035 2.3118 2.3123 2.5243 2.5244 2.9334 2.9339 3.1758 3.1760 3.3808 3.3811 3.5603 3.5606 3.7212 3.7226 3.7341 3.7352 4.9654 4.9665 4.9959 4.9966 8.3692 8.3693 11.3394 11.3579 12.0885 12.1226 12.9548 12.9579 k = 0.5000 0.2887 0.3809 ( 4634 PWs) bands (ev): -22.2838 -22.2838 -17.4376 -17.4376 -14.2401 -14.2364 -14.1225 -14.1185 -13.8738 -13.8729 -12.6567 -12.6565 -12.6389 -12.6386 -6.3223 -6.2976 -5.9819 -5.9320 -5.7961 -5.7848 -5.3904 -5.3709 -2.1459 -2.1290 -1.7410 -1.7346 -1.3927 -1.3845 -0.2842 -0.2839 0.5235 0.5238 0.5856 0.5868 1.2597 1.2606 1.3084 1.3093 1.4887 1.4904 1.8457 1.8473 2.0091 2.0132 2.2016 2.2053 2.3111 2.3120 2.5237 2.5239 2.9331 2.9341 3.1757 3.1762 3.3803 3.3808 3.5604 3.5610 3.7210 3.7239 3.7337 3.7359 4.9647 4.9670 4.9957 4.9972 8.3693 8.3696 11.3331 11.3703 12.0681 12.1360 12.9540 12.9595 k = 0.5000 0.2887 0.3657 ( 4638 PWs) bands (ev): -22.2838 -22.2838 -17.4376 -17.4376 -14.2407 -14.2352 -14.1232 -14.1172 -13.8742 -13.8729 -12.6568 -12.6565 -12.6390 -12.6386 -6.3280 -6.2911 -5.9957 -5.9215 -5.8013 -5.7845 -5.3918 -5.3631 -2.1492 -2.1239 -1.7407 -1.7312 -1.3964 -1.3844 -0.2849 -0.2843 0.5234 0.5239 0.5877 0.5895 1.2584 1.2599 1.3080 1.3094 1.4865 1.4891 1.8480 1.8505 2.0045 2.0105 2.2023 2.2075 2.3100 2.3114 2.5227 2.5229 2.9327 2.9342 3.1756 3.1763 3.3795 3.3802 3.5607 3.5616 3.7210 3.7258 3.7331 3.7368 4.9640 4.9674 4.9957 4.9979 8.3696 8.3700 11.3287 11.3848 12.0458 12.1469 12.9539 12.9608 k = 0.5000 0.2887 0.3505 ( 4638 PWs) bands (ev): -22.2839 -22.2839 -17.4377 -17.4377 -14.2412 -14.2340 -14.1237 -14.1159 -13.8748 -13.8730 -12.6570 -12.6565 -12.6391 -12.6385 -6.3335 -6.2847 -6.0097 -5.9118 -5.8073 -5.7850 -5.3916 -5.3545 -2.1520 -2.1187 -1.7398 -1.7270 -1.4008 -1.3849 -0.2857 -0.2850 0.5233 0.5239 0.5908 0.5931 1.2567 1.2588 1.3076 1.3095 1.4838 1.4871 1.8513 1.8545 1.9986 2.0062 2.2036 2.2103 2.3086 2.3104 2.5213 2.5216 2.9322 2.9342 3.1755 3.1764 3.3784 3.3794 3.5612 3.5624 3.7210 3.7279 3.7328 3.7382 4.9634 4.9677 4.9959 4.9986 8.3699 8.3705 11.3261 11.4014 12.0217 12.1554 12.9538 12.9616 k = 0.5000 0.2887 0.3352 ( 4638 PWs) bands (ev): -22.2839 -22.2839 -17.4378 -17.4378 -14.2416 -14.2327 -14.1241 -14.1146 -13.8754 -13.8733 -12.6572 -12.6566 -12.6391 -12.6384 -6.3388 -6.2785 -6.0236 -5.9029 -5.8140 -5.7864 -5.3901 -5.3454 -2.1543 -2.1133 -1.7382 -1.7221 -1.4056 -1.3862 -0.2867 -0.2858 0.5232 0.5239 0.5948 0.5977 1.2546 1.2574 1.3071 1.3097 1.4805 1.4845 1.8555 1.8594 1.9915 2.0006 2.2056 2.2135 2.3069 2.3092 2.5196 2.5199 2.9317 2.9341 3.1755 3.1765 3.3770 3.3783 3.5619 3.5634 3.7209 3.7296 3.7332 3.7400 4.9627 4.9679 4.9962 4.9995 8.3704 8.3711 11.3250 11.4200 11.9963 12.1617 12.9522 12.9631 k = 0.5000 0.2887 0.3200 ( 4638 PWs) bands (ev): -22.2839 -22.2839 -17.4379 -17.4379 -14.2418 -14.2314 -14.1244 -14.1132 -13.8761 -13.8736 -12.6575 -12.6568 -12.6391 -12.6383 -6.3441 -6.2728 -6.0369 -5.8949 -5.8212 -5.7884 -5.3874 -5.3359 -2.1561 -2.1078 -1.7360 -1.7164 -1.4108 -1.3881 -0.2879 -0.2869 0.5231 0.5238 0.5996 0.6031 1.2521 1.2556 1.3066 1.3098 1.4769 1.4814 1.8603 1.8649 1.9833 1.9936 2.2083 2.2171 2.3049 2.3078 2.5175 2.5178 2.9312 2.9339 3.1754 3.1766 3.3754 3.3769 3.5628 3.5645 3.7206 3.7296 3.7358 3.7425 4.9621 4.9681 4.9966 5.0003 8.3710 8.3718 11.3254 11.4406 11.9698 12.1659 12.9474 12.9657 k = 0.5000 0.2887 0.3048 ( 4634 PWs) bands (ev): -22.2839 -22.2839 -17.4380 -17.4380 -14.2419 -14.2301 -14.1245 -14.1118 -13.8769 -13.8740 -12.6579 -12.6571 -12.6390 -12.6381 -6.3492 -6.2680 -6.0493 -5.8875 -5.8288 -5.7910 -5.3836 -5.3264 -2.1574 -2.1023 -1.7332 -1.7101 -1.4164 -1.3908 -0.2892 -0.2881 0.5230 0.5237 0.6053 0.6093 1.2491 1.2534 1.3060 1.3099 1.4729 1.4778 1.8656 1.8709 1.9740 1.9855 2.2118 2.2212 2.3028 2.3062 2.5151 2.5154 2.9306 2.9337 3.1754 3.1767 3.3736 3.3753 3.5638 3.5658 3.7199 3.7288 3.7395 3.7456 4.9616 4.9682 4.9972 5.0012 8.3716 8.3725 11.3270 11.4630 11.9425 12.1684 12.9392 12.9686 k = 0.5000 0.2887 0.2895 ( 4660 PWs) bands (ev): -22.2840 -22.2839 -17.4382 -17.4381 -14.2418 -14.2288 -14.1244 -14.1104 -13.8777 -13.8746 -12.6584 -12.6576 -12.6387 -12.6378 -6.3542 -6.2644 -6.0601 -5.8810 -5.8365 -5.7941 -5.3790 -5.3171 -2.1582 -2.0968 -1.7299 -1.7032 -1.4223 -1.3939 -0.2908 -0.2895 0.5228 0.5234 0.6117 0.6162 1.2458 1.2509 1.3053 1.3100 1.4685 1.4739 1.8712 1.8772 1.9639 1.9762 2.2159 2.2258 2.3004 2.3045 2.5123 2.5127 2.9300 2.9333 3.1754 3.1767 3.3715 3.3734 3.5650 3.5673 3.7190 3.7276 3.7438 3.7492 4.9611 4.9682 4.9978 5.0021 8.3722 8.3732 11.3297 11.4870 11.9149 12.1694 12.9276 12.9702 k = 0.5000 0.2887 0.2743 ( 4666 PWs) bands (ev): -22.2840 -22.2840 -17.4383 -17.4383 -14.2416 -14.2275 -14.1242 -14.1090 -13.8786 -13.8752 -12.6590 -12.6582 -12.6384 -12.6374 -6.3593 -6.2626 -6.0689 -5.8756 -5.8437 -5.7974 -5.3738 -5.3080 -2.1585 -2.0915 -1.7261 -1.6958 -1.4282 -1.3977 -0.2924 -0.2910 0.5226 0.5232 0.6188 0.6237 1.2421 1.2480 1.3047 1.3102 1.4641 1.4698 1.8770 1.8836 1.9529 1.9659 2.2207 2.2308 2.2980 2.3026 2.5093 2.5098 2.9293 2.9329 3.1754 3.1768 3.3692 3.3713 3.5663 3.5689 3.7177 3.7262 3.7486 3.7535 4.9607 4.9682 4.9986 5.0030 8.3729 8.3740 11.3334 11.5124 11.8872 12.1693 12.9131 12.9677 k = 0.5000 0.2887 0.2590 ( 4668 PWs) bands (ev): -22.2840 -22.2840 -17.4385 -17.4384 -14.2412 -14.2263 -14.1238 -14.1077 -13.8795 -13.8758 -12.6598 -12.6589 -12.6379 -12.6369 -6.3643 -6.2630 -6.0751 -5.8723 -5.8492 -5.8009 -5.3681 -5.2995 -2.1583 -2.0864 -1.7219 -1.6879 -1.4342 -1.4018 -0.2942 -0.2927 0.5223 0.5229 0.6265 0.6318 1.2380 1.2448 1.3041 1.3104 1.4595 1.4654 1.8826 1.8900 1.9414 1.9550 2.2262 2.2363 2.2955 2.3008 2.5060 2.5067 2.9287 2.9324 3.1754 3.1768 3.3667 3.3689 3.5679 3.5707 3.7162 3.7246 3.7537 3.7581 4.9604 4.9682 4.9994 5.0039 8.3736 8.3748 11.3377 11.5389 11.8600 12.1683 12.8962 12.9581 k = 0.5000 0.2887 0.2438 ( 4674 PWs) bands (ev): -22.2840 -22.2840 -17.4386 -17.4386 -14.2407 -14.2251 -14.1232 -14.1065 -13.8804 -13.8766 -12.6606 -12.6598 -12.6373 -12.6364 -6.3693 -6.2657 -6.0784 -5.8734 -5.8506 -5.8044 -5.3622 -5.2916 -2.1575 -2.0816 -1.7174 -1.6796 -1.4402 -1.4063 -0.2960 -0.2944 0.5221 0.5225 0.6348 0.6404 1.2337 1.2412 1.3036 1.3106 1.4548 1.4609 1.8878 1.8962 1.9293 1.9436 2.2324 2.2421 2.2930 2.2990 2.5025 2.5034 2.9281 2.9319 3.1755 3.1769 3.3640 3.3664 3.5696 3.5725 3.7145 3.7228 3.7591 3.7631 4.9603 4.9682 5.0003 5.0047 8.3743 8.3755 11.3426 11.5658 11.8338 12.1668 12.8773 12.9407 k = 0.5000 0.2887 0.2286 ( 4668 PWs) bands (ev): -22.2841 -22.2841 -17.4388 -17.4388 -14.2401 -14.2240 -14.1226 -14.1053 -13.8813 -13.8774 -12.6616 -12.6607 -12.6366 -12.6357 -6.3742 -6.2710 -6.0787 -5.8788 -5.8479 -5.8078 -5.3562 -5.2846 -2.1561 -2.0772 -1.7126 -1.6711 -1.4460 -1.4110 -0.2979 -0.2963 0.5218 0.5222 0.6435 0.6494 1.2291 1.2373 1.3032 1.3108 1.4502 1.4563 1.8920 1.9021 1.9171 1.9325 2.2391 2.2483 2.2905 2.2973 2.4988 2.5000 2.9274 2.9313 3.1756 3.1770 3.3612 3.3637 3.5714 3.5746 3.7126 3.7208 3.7647 3.7683 4.9603 4.9682 5.0011 5.0056 8.3749 8.3762 11.3479 11.5923 11.8096 12.1649 12.8572 12.9177 k = 0.5000 0.2887 0.2133 ( 4664 PWs) bands (ev): -22.2841 -22.2841 -17.4390 -17.4389 -14.2393 -14.2230 -14.1217 -14.1042 -13.8822 -13.8782 -12.6626 -12.6618 -12.6358 -12.6349 -6.3790 -6.2783 -6.0764 -5.8859 -5.8434 -5.8110 -5.3503 -5.2784 -2.1542 -2.0732 -1.7076 -1.6625 -1.4515 -1.4158 -0.2999 -0.2982 0.5215 0.5218 0.6526 0.6586 1.2243 1.2331 1.3029 1.3111 1.4457 1.4518 1.8933 1.9042 1.9086 1.9229 2.2463 2.2547 2.2882 2.2958 2.4950 2.4965 2.9268 2.9307 3.1757 3.1771 3.3582 3.3608 3.5734 3.5768 3.7106 3.7186 3.7705 3.7738 4.9603 4.9682 5.0020 5.0063 8.3755 8.3769 11.3535 11.6167 11.7890 12.1627 12.8365 12.8921 k = 0.5000 0.2887 0.1981 ( 4660 PWs) bands (ev): -22.2841 -22.2841 -17.4391 -17.4391 -14.2384 -14.2221 -14.1208 -14.1032 -13.8831 -13.8791 -12.6637 -12.6629 -12.6350 -12.6342 -6.3838 -6.2874 -6.0719 -5.8936 -5.8383 -5.8138 -5.3445 -5.2731 -2.1517 -2.0697 -1.7025 -1.6541 -1.4566 -1.4206 -0.3018 -0.3002 0.5211 0.5214 0.6619 0.6680 1.2193 1.2285 1.3028 1.3114 1.4413 1.4473 1.8876 1.8945 1.9131 1.9180 2.2538 2.2611 2.2859 2.2947 2.4912 2.4929 2.9262 2.9300 3.1758 3.1771 3.3552 3.3578 3.5756 3.5791 3.7084 3.7163 3.7764 3.7793 4.9605 4.9682 5.0029 5.0071 8.3761 8.3774 11.3593 11.6356 11.7751 12.1604 12.8157 12.8657 k = 0.5000 0.2887 0.1829 ( 4658 PWs) bands (ev): -22.2842 -22.2841 -17.4393 -17.4393 -14.2374 -14.2213 -14.1197 -14.1023 -13.8840 -13.8800 -12.6648 -12.6641 -12.6341 -12.6333 -6.3884 -6.2977 -6.0657 -5.9014 -5.8330 -5.8162 -5.3389 -5.2689 -2.1487 -2.0667 -1.6973 -1.6460 -1.4614 -1.4254 -0.3038 -0.3021 0.5207 0.5210 0.6713 0.6775 1.2142 1.2237 1.3027 1.3117 1.4370 1.4429 1.8763 1.8842 1.9173 1.9188 2.2615 2.2673 2.2838 2.2942 2.4873 2.4893 2.9256 2.9293 3.1759 3.1772 3.3522 3.3548 3.5778 3.5814 3.7061 3.7138 3.7822 3.7849 4.9608 4.9683 5.0038 5.0078 8.3766 8.3779 11.3653 11.6443 11.7729 12.1579 12.7952 12.8397 k = 0.5000 0.2887 0.1676 ( 4664 PWs) bands (ev): -22.2842 -22.2842 -17.4395 -17.4394 -14.2363 -14.2206 -14.1185 -14.1016 -13.8848 -13.8809 -12.6659 -12.6652 -12.6332 -12.6325 -6.3927 -6.3087 -6.0584 -5.9092 -5.8278 -5.8181 -5.3336 -5.2657 -2.1451 -2.0644 -1.6921 -1.6384 -1.4655 -1.4299 -0.3057 -0.3041 0.5203 0.5205 0.6808 0.6869 1.2090 1.2187 1.3029 1.3119 1.4329 1.4386 1.8640 1.8725 1.9203 1.9224 2.2688 2.2729 2.2820 2.2949 2.4836 2.4858 2.9250 2.9286 3.1761 3.1773 3.3491 3.3517 3.5802 3.5839 3.7037 3.7112 3.7879 3.7903 4.9612 4.9684 5.0046 5.0084 8.3770 8.3783 11.3714 11.6402 11.7845 12.1552 12.7754 12.8147 k = 0.5000 0.2887 0.1524 ( 4662 PWs) bands (ev): -22.2842 -22.2842 -17.4396 -17.4396 -14.2351 -14.2201 -14.1173 -14.1010 -13.8856 -13.8818 -12.6670 -12.6664 -12.6324 -12.6317 -6.3968 -6.3200 -6.0504 -5.9167 -5.8228 -5.8193 -5.3285 -5.2635 -2.1410 -2.0627 -1.6869 -1.6317 -1.4691 -1.4341 -0.3076 -0.3060 0.5199 0.5201 0.6902 0.6961 1.2039 1.2136 1.3032 1.3122 1.4291 1.4345 1.8520 1.8604 1.9234 1.9259 2.2738 2.2785 2.2811 2.2973 2.4799 2.4823 2.9244 2.9278 3.1762 3.1774 3.3461 3.3487 3.5826 3.5864 3.7012 3.7085 3.7934 3.7956 4.9616 4.9684 5.0054 5.0089 8.3774 8.3786 11.3777 11.6273 11.8058 12.1521 12.7567 12.7910 k = 0.5000 0.2887 0.1371 ( 4664 PWs) bands (ev): -22.2842 -22.2842 -17.4398 -17.4398 -14.2339 -14.2197 -14.1159 -14.1006 -13.8863 -13.8827 -12.6680 -12.6675 -12.6315 -12.6309 -6.4004 -6.3312 -6.0421 -5.9239 -5.8199 -5.8181 -5.3237 -5.2624 -2.1365 -2.0617 -1.6817 -1.6260 -1.4719 -1.4380 -0.3094 -0.3078 0.5195 0.5197 0.6993 0.7050 1.1989 1.2083 1.3036 1.3125 1.4256 1.4307 1.8404 1.8485 1.9264 1.9291 2.2757 2.2786 2.2871 2.3014 2.4764 2.4790 2.9239 2.9271 3.1764 3.1775 3.3432 3.3456 3.5851 3.5889 3.6987 3.7057 3.7987 3.8006 4.9621 4.9685 5.0061 5.0094 8.3776 8.3789 11.3841 11.6102 11.8322 12.1485 12.7393 12.7691 k = 0.5000 0.2887 0.1219 ( 4664 PWs) bands (ev): -22.2843 -22.2843 -17.4399 -17.4399 -14.2327 -14.2195 -14.1146 -14.1003 -13.8869 -13.8836 -12.6690 -12.6685 -12.6307 -12.6301 -6.4035 -6.3421 -6.0338 -5.9310 -5.8198 -5.8138 -5.3191 -5.2622 -2.1315 -2.0615 -1.6765 -1.6215 -1.4738 -1.4415 -0.3110 -0.3096 0.5191 0.5193 0.7081 0.7134 1.1941 1.2031 1.3042 1.3127 1.4223 1.4271 1.8295 1.8371 1.9291 1.9318 2.2757 2.2778 2.2946 2.3065 2.4732 2.4759 2.9235 2.9264 3.1765 3.1776 3.3404 3.3427 3.5877 3.5913 3.6963 3.7029 3.8036 3.8053 4.9627 4.9685 5.0069 5.0099 8.3779 8.3790 11.3907 11.5916 11.8605 12.1443 12.7234 12.7490 k = 0.5000 0.2887 0.1067 ( 4658 PWs) bands (ev): -22.2843 -22.2843 -17.4400 -17.4400 -14.2314 -14.2194 -14.1131 -14.1002 -13.8875 -13.8844 -12.6699 -12.6695 -12.6299 -12.6294 -6.4061 -6.3525 -6.0256 -5.9377 -5.8190 -5.8100 -5.3146 -5.2629 -2.1262 -2.0620 -1.6713 -1.6186 -1.4748 -1.4447 -0.3125 -0.3112 0.5187 0.5189 0.7164 0.7213 1.1896 1.1980 1.3049 1.3129 1.4194 1.4238 1.8196 1.8265 1.9315 1.9340 2.2750 2.2771 2.3018 2.3119 2.4703 2.4729 2.9231 2.9257 3.1767 3.1776 3.3379 3.3400 3.5902 3.5937 3.6940 3.7002 3.8082 3.8097 4.9633 4.9686 5.0076 5.0102 8.3780 8.3791 11.3977 11.5728 11.8893 12.1391 12.7091 12.7308 k = 0.5000 0.2887 0.0914 ( 4662 PWs) bands (ev): -22.2843 -22.2843 -17.4402 -17.4402 -14.2300 -14.2195 -14.1117 -14.1003 -13.8879 -13.8852 -12.6707 -12.6704 -12.6292 -12.6288 -6.4081 -6.3623 -6.0178 -5.9442 -5.8176 -5.8069 -5.3103 -5.2644 -2.1206 -2.0633 -1.6661 -1.6171 -1.4749 -1.4475 -0.3139 -0.3127 0.5184 0.5186 0.7240 0.7284 1.1855 1.1931 1.3057 1.3129 1.4169 1.4208 1.8106 1.8168 1.9335 1.9359 2.2742 2.2764 2.3086 2.3171 2.4677 2.4702 2.9228 2.9251 3.1768 3.1777 3.3356 3.3375 3.5926 3.5959 3.6919 3.6974 3.8123 3.8136 4.9639 4.9685 5.0081 5.0105 8.3782 8.3791 11.4051 11.5544 11.9179 12.1327 12.6967 12.7148 k = 0.5000 0.2887 0.0762 ( 4666 PWs) bands (ev): -22.2843 -22.2843 -17.4403 -17.4403 -14.2287 -14.2197 -14.1103 -14.1005 -13.8883 -13.8860 -12.6715 -12.6711 -12.6286 -12.6282 -6.4093 -6.3713 -6.0104 -5.9504 -5.8157 -5.8045 -5.3060 -5.2666 -2.1147 -2.0653 -1.6608 -1.6172 -1.4741 -1.4502 -0.3150 -0.3140 0.5181 0.5183 0.7308 0.7347 1.1819 1.1885 1.3065 1.3129 1.4148 1.4181 1.8029 1.8082 1.9353 1.9373 2.2736 2.2756 2.3146 2.3217 2.4655 2.4678 2.9225 2.9245 3.1769 3.1777 3.3335 3.3352 3.5950 3.5979 3.6899 3.6948 3.8159 3.8169 4.9645 4.9685 5.0087 5.0107 8.3783 8.3791 11.4129 11.5367 11.9455 12.1250 12.6861 12.7009 k = 0.5000 0.2887 0.0610 ( 4670 PWs) bands (ev): -22.2843 -22.2843 -17.4403 -17.4403 -14.2275 -14.2201 -14.1089 -14.1009 -13.8885 -13.8866 -12.6721 -12.6718 -12.6281 -12.6278 -6.4097 -6.3795 -6.0035 -5.9564 -5.8134 -5.8029 -5.3018 -5.2695 -2.1087 -2.0681 -1.6555 -1.6187 -1.4726 -1.4527 -0.3160 -0.3152 0.5178 0.5180 0.7367 0.7399 1.1789 1.1845 1.3075 1.3128 1.4131 1.4159 1.7965 1.8008 1.9368 1.9384 2.2731 2.2749 2.3199 2.3256 2.4637 2.4657 2.9224 2.9239 3.1771 3.1777 3.3319 3.3332 3.5971 3.5996 3.6883 3.6924 3.8189 3.8197 4.9652 4.9684 5.0092 5.0108 8.3783 8.3790 11.4214 11.5199 11.9718 12.1157 12.6777 12.6893 k = 0.5000 0.2887 0.0457 ( 4666 PWs) bands (ev): -22.2844 -22.2844 -17.4404 -17.4404 -14.2262 -14.2206 -14.1076 -14.1014 -13.8887 -13.8872 -12.6725 -12.6723 -12.6276 -12.6274 -6.4093 -6.3867 -5.9969 -5.9622 -5.8109 -5.8020 -5.2975 -5.2728 -2.1027 -2.0715 -1.6501 -1.6214 -1.4705 -1.4551 -0.3167 -0.3161 0.5177 0.5178 0.7416 0.7441 1.1767 1.1810 1.3084 1.3125 1.4119 1.4140 1.7915 1.7948 1.9379 1.9392 2.2728 2.2742 2.3243 2.3286 2.4624 2.4640 2.9223 2.9235 3.1772 3.1777 3.3306 3.3316 3.5989 3.6010 3.6871 3.6903 3.8213 3.8219 4.9658 4.9682 5.0096 5.0109 8.3784 8.3789 11.4306 11.5041 11.9966 12.1046 12.6713 12.6799 k = 0.5000 0.2887 0.0305 ( 4662 PWs) bands (ev): -22.2844 -22.2844 -17.4405 -17.4405 -14.2251 -14.2212 -14.1063 -14.1021 -13.8887 -13.8877 -12.6729 -12.6727 -12.6273 -12.6272 -6.4080 -6.3929 -5.9907 -5.9679 -5.8084 -5.8020 -5.2932 -5.2765 -2.0967 -2.0756 -1.6447 -1.6250 -1.4681 -1.4576 -0.3172 -0.3168 0.5175 0.5176 0.7453 0.7470 1.1752 1.1782 1.3093 1.3121 1.4111 1.4125 1.7881 1.7903 1.9388 1.9397 2.2726 2.2737 2.3277 2.3306 2.4616 2.4627 2.9223 2.9231 3.1774 3.1777 3.3297 3.3304 3.6004 3.6019 3.6864 3.6886 3.8231 3.8235 4.9663 4.9680 5.0100 5.0108 8.3785 8.3788 11.4405 11.4894 12.0196 12.0917 12.6671 12.6727 k = 0.5000 0.2887 0.0152 ( 4662 PWs) bands (ev): -22.2844 -22.2844 -17.4405 -17.4405 -14.2240 -14.2220 -14.1051 -14.1030 -13.8886 -13.8881 -12.6730 -12.6730 -12.6271 -12.6270 -6.4057 -6.3982 -5.9848 -5.9735 -5.8061 -5.8027 -5.2889 -5.2805 -2.0910 -2.0803 -1.6393 -1.6293 -1.4655 -1.4602 -0.3175 -0.3173 0.5174 0.5175 0.7477 0.7486 1.1747 1.1761 1.3102 1.3116 1.4107 1.4115 1.7862 1.7874 1.9394 1.9399 2.2727 2.2732 2.3300 2.3315 2.4612 2.4618 2.9224 2.9228 3.1775 3.1777 3.3292 3.3295 3.6015 3.6023 3.6862 3.6873 3.8242 3.8244 4.9668 4.9677 5.0103 5.0107 8.3785 8.3787 11.4513 11.4757 12.0407 12.0768 12.6651 12.6679 k = 0.5000 0.2887-0.0000 ( 4652 PWs) bands (ev): -22.2844 -22.2844 -17.4405 -17.4405 -14.2229 -14.2229 -14.1040 -14.1040 -13.8884 -13.8884 -12.6731 -12.6731 -12.6270 -12.6270 -6.4024 -6.4024 -5.9791 -5.9791 -5.8041 -5.8041 -5.2846 -5.2846 -2.0854 -2.0854 -1.6342 -1.6342 -1.4628 -1.4628 -0.3175 -0.3175 0.5175 0.5175 0.7488 0.7488 1.1750 1.1750 1.3110 1.3110 1.4109 1.4109 1.7860 1.7860 1.9398 1.9398 2.2729 2.2729 2.3313 2.3313 2.4613 2.4613 2.9225 2.9225 3.1776 3.1776 3.3292 3.3292 3.6022 3.6022 3.6865 3.6865 3.8247 3.8247 4.9673 4.9673 5.0106 5.0106 8.3786 8.3786 11.4630 11.4630 12.0598 12.0598 12.6653 12.6653 k = 0.3333 0.5774-0.0000 ( 4680 PWs) bands (ev): -22.2839 -22.2839 -17.4207 -17.4196 -14.2214 -14.1796 -14.0737 -14.0638 -14.0153 -13.9633 -12.6832 -12.6823 -12.6316 -12.6301 -6.4534 -6.3471 -6.0782 -5.8732 -5.8495 -5.8056 -5.2316 -5.1615 -2.0690 -2.0530 -1.6542 -1.5985 -1.5047 -1.4230 -0.2037 -0.1984 0.5038 0.5377 0.5413 0.5446 1.0228 1.0396 1.2363 1.2385 1.4960 1.5117 1.8089 1.8105 2.1247 2.1312 2.1703 2.1765 2.3635 2.3729 2.5109 2.5335 3.0505 3.0587 3.0865 3.1283 3.1338 3.1436 3.3317 3.3629 3.8851 3.9398 3.9491 3.9564 4.9457 4.9547 5.0454 5.0540 8.3984 8.4010 11.3918 11.7008 11.8021 12.2773 12.8445 12.9137 k = 0.3333 0.5774 0.0152 ( 4689 PWs) bands (ev): -22.2839 -22.2839 -17.4207 -17.4197 -14.2213 -14.1799 -14.0735 -14.0638 -14.0165 -13.9652 -12.6800 -12.6792 -12.6315 -12.6300 -6.4663 -6.3606 -6.0806 -5.8814 -5.8504 -5.8115 -5.2136 -5.1425 -2.0710 -2.0511 -1.6533 -1.5838 -1.5020 -1.4030 -0.2014 -0.1960 0.5049 0.5393 0.5422 0.5463 1.0195 1.0361 1.2373 1.2392 1.4932 1.5082 1.7917 1.7927 2.1240 2.1312 2.1675 2.1739 2.3575 2.3662 2.5087 2.5310 3.0478 3.0523 3.0854 3.1320 3.1357 3.1449 3.3354 3.3662 3.8853 3.9396 3.9462 3.9532 4.9464 4.9554 5.0439 5.0524 8.4054 8.4081 11.4270 11.7115 11.8405 12.2894 12.8399 12.9126 k = 0.3333 0.5774 0.0305 ( 4677 PWs) bands (ev): -22.2839 -22.2839 -17.4207 -17.4197 -14.2212 -14.1803 -14.0734 -14.0638 -14.0179 -13.9673 -12.6767 -12.6758 -12.6316 -12.6301 -6.4774 -6.3723 -6.0827 -5.8894 -5.8508 -5.8171 -5.1977 -5.1256 -2.0732 -2.0495 -1.6531 -1.5689 -1.5001 -1.3833 -0.1989 -0.1934 0.5059 0.5414 0.5432 0.5486 1.0167 1.0332 1.2384 1.2400 1.4907 1.5050 1.7739 1.7743 2.1233 2.1312 2.1656 2.1721 2.3520 2.3599 2.5070 2.5287 3.0439 3.0458 3.0855 3.1358 3.1377 3.1464 3.3388 3.3692 3.8851 3.9388 3.9437 3.9501 4.9473 4.9562 5.0425 5.0509 8.4120 8.4148 11.4611 11.7223 11.8787 12.3018 12.8361 12.9127 k = 0.3333 0.5774 0.0457 ( 4677 PWs) bands (ev): -22.2839 -22.2839 -17.4207 -17.4197 -14.2211 -14.1808 -14.0733 -14.0636 -14.0194 -13.9694 -12.6732 -12.6723 -12.6319 -12.6303 -6.4866 -6.3820 -6.0846 -5.8974 -5.8508 -5.8225 -5.1840 -5.1110 -2.0757 -2.0482 -1.6536 -1.5541 -1.4992 -1.3641 -0.1962 -0.1907 0.5068 0.5438 0.5440 0.5512 1.0145 1.0310 1.2393 1.2407 1.4884 1.5022 1.7555 1.7557 2.1226 2.1312 2.1644 2.1711 2.3470 2.3541 2.5055 2.5267 3.0389 3.0392 3.0865 3.1392 3.1401 3.1479 3.3419 3.3719 3.8844 3.9372 3.9417 3.9473 4.9484 4.9573 5.0412 5.0495 8.4180 8.4209 11.4937 11.7329 11.9161 12.3142 12.8329 12.9139 k = 0.3333 0.5774 0.0610 ( 4671 PWs) bands (ev): -22.2839 -22.2839 -17.4207 -17.4196 -14.2210 -14.1815 -14.0732 -14.0634 -14.0210 -13.9717 -12.6696 -12.6688 -12.6323 -12.6307 -6.4940 -6.3898 -6.0863 -5.9051 -5.8504 -5.8276 -5.1725 -5.0988 -2.0784 -2.0471 -1.6547 -1.5396 -1.4992 -1.3459 -0.1934 -0.1878 0.5075 0.5448 0.5467 0.5543 1.0131 1.0295 1.2402 1.2414 1.4864 1.4997 1.7368 1.7375 2.1221 2.1312 2.1639 2.1707 2.3427 2.3490 2.5044 2.5250 3.0325 3.0334 3.0880 3.1414 3.1436 3.1495 3.3446 3.3743 3.8833 3.9352 3.9400 3.9447 4.9497 4.9586 5.0400 5.0480 8.4234 8.4264 11.5243 11.7432 11.9524 12.3267 12.8303 12.9161 k = 0.3333 0.5774 0.0762 ( 4677 PWs) bands (ev): -22.2839 -22.2839 -17.4206 -17.4195 -14.2209 -14.1823 -14.0732 -14.0630 -14.0226 -13.9740 -12.6660 -12.6652 -12.6329 -12.6313 -6.4995 -6.3955 -6.0878 -5.9126 -5.8496 -5.8323 -5.1633 -5.0891 -2.0812 -2.0464 -1.6564 -1.5257 -1.5001 -1.3288 -0.1906 -0.1849 0.5080 0.5453 0.5499 0.5578 1.0125 1.0289 1.2410 1.2420 1.4848 1.4976 1.7183 1.7195 2.1215 2.1312 2.1641 2.1710 2.3392 2.3447 2.5035 2.5234 3.0259 3.0276 3.0898 3.1433 3.1473 3.1510 3.3468 3.3762 3.8819 3.9332 3.9382 3.9425 4.9512 4.9601 5.0388 5.0467 8.4281 8.4311 11.5523 11.7532 11.9870 12.3390 12.8281 12.9193 k = 0.3333 0.5774 0.0914 ( 4671 PWs) bands (ev): -22.2838 -22.2838 -17.4205 -17.4194 -14.2208 -14.1832 -14.0733 -14.0626 -14.0243 -13.9763 -12.6624 -12.6616 -12.6336 -12.6320 -6.5031 -6.3993 -6.0890 -5.9196 -5.8485 -5.8365 -5.1566 -5.0818 -2.0841 -2.0458 -1.6587 -1.5127 -1.5019 -1.3130 -0.1878 -0.1820 0.5082 0.5456 0.5535 0.5615 1.0129 1.0293 1.2417 1.2425 1.4835 1.4959 1.7004 1.7020 2.1210 2.1311 2.1648 2.1719 2.3366 2.3414 2.5028 2.5219 3.0196 3.0217 3.0918 3.1451 3.1507 3.1524 3.3487 3.3778 3.8800 3.9312 3.9364 3.9405 4.9528 4.9617 5.0378 5.0455 8.4320 8.4351 11.5770 11.7627 12.0196 12.3511 12.8263 12.9233 k = 0.3333 0.5774 0.1067 ( 4671 PWs) bands (ev): -22.2838 -22.2838 -17.4203 -17.4192 -14.2207 -14.1841 -14.0733 -14.0621 -14.0260 -13.9786 -12.6589 -12.6580 -12.6344 -12.6328 -6.5048 -6.4011 -6.0900 -5.9260 -5.8469 -5.8402 -5.1523 -5.0771 -2.0869 -2.0453 -1.6616 -1.5045 -1.5008 -1.2989 -0.1849 -0.1791 0.5081 0.5456 0.5574 0.5656 1.0143 1.0308 1.2422 1.2428 1.4826 1.4947 1.6833 1.6851 2.1206 2.1311 2.1660 2.1733 2.3351 2.3391 2.5022 2.5206 3.0135 3.0159 3.0939 3.1468 3.1539 3.1541 3.3500 3.3790 3.8778 3.9294 3.9344 3.9389 4.9545 4.9634 5.0369 5.0443 8.4351 8.4382 11.5980 11.7716 12.0495 12.3628 12.8247 12.9283 k = 0.3333 0.5774 0.1219 ( 4677 PWs) bands (ev): -22.2838 -22.2838 -17.4201 -17.4191 -14.2206 -14.1851 -14.0734 -14.0616 -14.0277 -13.9808 -12.6554 -12.6546 -12.6354 -12.6338 -6.5046 -6.4009 -6.0907 -5.9319 -5.8450 -5.8433 -5.1505 -5.0750 -2.0898 -2.0449 -1.6650 -1.5080 -1.4903 -1.2866 -0.1821 -0.1763 0.5076 0.5454 0.5616 0.5699 1.0168 1.0335 1.2425 1.2431 1.4820 1.4939 1.6673 1.6692 2.1202 2.1310 2.1677 2.1751 2.3346 2.3380 2.5018 2.5194 3.0078 3.0103 3.0959 3.1484 3.1551 3.1572 3.3509 3.3797 3.8753 3.9275 3.9325 3.9377 4.9564 4.9652 5.0360 5.0433 8.4374 8.4405 11.6147 11.7798 12.0760 12.3740 12.8234 12.9340 k = 0.3333 0.5774 0.1371 ( 4677 PWs) bands (ev): -22.2838 -22.2838 -17.4199 -17.4188 -14.2206 -14.1862 -14.0736 -14.0610 -14.0294 -13.9830 -12.6521 -12.6513 -12.6364 -12.6348 -6.5026 -6.3987 -6.0910 -5.9371 -5.8459 -5.8428 -5.1512 -5.0755 -2.0927 -2.0445 -1.6689 -1.5122 -1.4814 -1.2764 -0.1795 -0.1735 0.5068 0.5447 0.5659 0.5744 1.0204 1.0373 1.2426 1.2431 1.4818 1.4936 1.6525 1.6545 2.1199 2.1308 2.1698 2.1774 2.3353 2.3381 2.5015 2.5183 3.0026 3.0051 3.0978 3.1498 3.1563 3.1600 3.3512 3.3800 3.8725 3.9255 3.9309 3.9369 4.9583 4.9672 5.0354 5.0424 8.4388 8.4419 11.6266 11.7872 12.0986 12.3845 12.8221 12.9404 k = 0.3333 0.5774 0.1524 ( 4659 PWs) bands (ev): -22.2837 -22.2837 -17.4197 -17.4186 -14.2205 -14.1874 -14.0737 -14.0603 -14.0310 -13.9851 -12.6490 -12.6481 -12.6375 -12.6360 -6.4986 -6.3945 -6.0911 -5.9415 -5.8477 -5.8402 -5.1545 -5.0787 -2.0954 -2.0441 -1.6732 -1.5172 -1.4742 -1.2684 -0.1769 -0.1709 0.5055 0.5437 0.5705 0.5790 1.0253 1.0423 1.2425 1.2430 1.4820 1.4938 1.6393 1.6411 2.1198 2.1307 2.1722 2.1800 2.3372 2.3394 2.5013 2.5173 2.9979 3.0004 3.0996 3.1511 3.1574 3.1625 3.3512 3.3799 3.8694 3.9231 3.9299 3.9365 4.9603 4.9692 5.0349 5.0417 8.4393 8.4424 11.6331 11.7938 12.1163 12.3942 12.8210 12.9476 k = 0.3333 0.5774 0.1676 ( 4665 PWs) bands (ev): -22.2837 -22.2837 -17.4194 -17.4183 -14.2205 -14.1885 -14.0739 -14.0596 -14.0326 -13.9871 -12.6461 -12.6453 -12.6388 -12.6372 -6.4929 -6.3884 -6.0908 -5.9452 -5.8490 -5.8374 -5.1602 -5.0845 -2.0980 -2.0436 -1.6778 -1.5228 -1.4690 -1.2628 -0.1745 -0.1684 0.5039 0.5424 0.5750 0.5837 1.0311 1.0484 1.2422 1.2427 1.4825 1.4944 1.6277 1.6292 2.1196 2.1306 2.1750 2.1830 2.3403 2.3421 2.5010 2.5162 2.9938 2.9962 3.1011 3.1522 3.1583 3.1647 3.3506 3.3793 3.8661 3.9201 3.9296 3.9365 4.9623 4.9712 5.0346 5.0411 8.4389 8.4419 11.6340 11.7993 12.1283 12.4030 12.8200 12.9554 k = 0.3333 0.5774 0.1829 ( 4671 PWs) bands (ev): -22.2837 -22.2837 -17.4191 -17.4181 -14.2205 -14.1897 -14.0741 -14.0589 -14.0342 -13.9889 -12.6435 -12.6427 -12.6400 -12.6385 -6.4853 -6.3804 -6.0902 -5.9480 -5.8497 -5.8343 -5.1685 -5.0929 -2.1006 -2.0431 -1.6827 -1.5290 -1.4657 -1.2595 -0.1722 -0.1661 0.5020 0.5407 0.5796 0.5883 1.0379 1.0556 1.2415 1.2422 1.4834 1.4955 1.6181 1.6191 2.1195 2.1304 2.1781 2.1863 2.3447 2.3461 2.5008 2.5152 2.9904 2.9927 3.1024 3.1531 3.1590 3.1666 3.3495 3.3784 3.8626 3.9169 3.9298 3.9369 4.9643 4.9732 5.0344 5.0407 8.4375 8.4405 11.6291 11.8038 12.1336 12.4107 12.8194 12.9640 k = 0.3333 0.5774 0.1981 ( 4671 PWs) bands (ev): -22.2837 -22.2837 -17.4189 -17.4178 -14.2206 -14.1908 -14.0744 -14.0581 -14.0356 -13.9905 -12.6414 -12.6412 -12.6404 -12.6398 -6.4759 -6.3705 -6.0893 -5.9499 -5.8497 -5.8311 -5.1793 -5.1039 -2.1030 -2.0426 -1.6878 -1.5357 -1.4646 -1.2587 -0.1702 -0.1640 0.4997 0.5387 0.5842 0.5929 1.0455 1.0636 1.2406 1.2415 1.4847 1.4971 1.6105 1.6109 2.1196 2.1301 2.1814 2.1898 2.3502 2.3513 2.5005 2.5141 2.9876 2.9898 3.1035 3.1538 3.1596 3.1680 3.3479 3.3770 3.8590 3.9135 3.9305 3.9377 4.9664 4.9752 5.0344 5.0405 8.4353 8.4382 11.6184 11.8072 12.1314 12.4173 12.8194 12.9526 k = 0.3333 0.5774 0.2133 ( 4647 PWs) bands (ev): -22.2836 -22.2836 -17.4186 -17.4175 -14.2206 -14.1919 -14.0746 -14.0574 -14.0369 -13.9920 -12.6427 -12.6412 -12.6393 -12.6384 -6.4647 -6.3587 -6.0880 -5.9508 -5.8491 -5.8277 -5.1924 -5.1175 -2.1052 -2.0419 -1.6929 -1.5428 -1.4655 -1.2604 -0.1684 -0.1622 0.4973 0.5365 0.5887 0.5973 1.0537 1.0723 1.2395 1.2406 1.4864 1.4992 1.6048 1.6051 2.1197 2.1299 2.1851 2.1937 2.3569 2.3577 2.5002 2.5129 2.9857 2.9877 3.1043 3.1544 3.1600 3.1691 3.3460 3.3752 3.8553 3.9100 3.9317 3.9390 4.9684 4.9772 5.0346 5.0404 8.4323 8.4351 11.6021 11.8095 12.1212 12.4226 12.8203 12.9185 k = 0.3333 0.5774 0.2286 ( 4650 PWs) bands (ev): -22.2836 -22.2836 -17.4183 -17.4172 -14.2207 -14.1930 -14.0749 -14.0566 -14.0381 -13.9932 -12.6440 -12.6426 -12.6377 -12.6368 -6.4519 -6.3451 -6.0864 -5.9508 -5.8480 -5.8242 -5.2079 -5.1335 -2.1073 -2.0412 -1.6981 -1.5502 -1.4686 -1.2646 -0.1668 -0.1606 0.4946 0.5341 0.5929 0.6014 1.0622 1.0813 1.2381 1.2396 1.4884 1.5017 1.6008 1.6021 2.1198 2.1297 2.1889 2.1977 2.3648 2.3652 2.4999 2.5117 2.9844 2.9863 3.1048 3.1546 3.1601 3.1698 3.3435 3.3731 3.8515 3.9064 3.9334 3.9406 4.9703 4.9791 5.0349 5.0405 8.4284 8.4311 11.5806 11.8104 12.1029 12.4264 12.8225 12.8926 k = 0.3333 0.5774 0.2438 ( 4650 PWs) bands (ev): -22.2836 -22.2836 -17.4180 -17.4169 -14.2208 -14.1940 -14.0751 -14.0558 -14.0391 -13.9942 -12.6454 -12.6439 -12.6364 -12.6355 -6.4374 -6.3297 -6.0844 -5.9499 -5.8463 -5.8206 -5.2256 -5.1518 -2.1092 -2.0405 -1.7031 -1.5577 -1.4737 -1.2711 -0.1655 -0.1593 0.4919 0.5316 0.5969 0.6053 1.0707 1.0904 1.2366 1.2384 1.4908 1.5046 1.5992 1.6016 2.1201 2.1294 2.1930 2.2019 2.3736 2.3737 2.4995 2.5104 2.9840 2.9857 3.1049 3.1547 3.1600 3.1700 3.3407 3.3706 3.8477 3.9027 3.9353 3.9427 4.9722 4.9809 5.0354 5.0408 8.4237 8.4263 11.5544 11.8102 12.0769 12.4287 12.8263 12.8748 k = 0.3333 0.5774 0.2590 ( 4653 PWs) bands (ev): -22.2836 -22.2836 -17.4176 -17.4166 -14.2209 -14.1950 -14.0754 -14.0551 -14.0400 -13.9950 -12.6467 -12.6453 -12.6356 -12.6347 -6.4213 -6.3126 -6.0821 -5.9480 -5.8441 -5.8171 -5.2455 -5.1725 -2.1109 -2.0397 -1.7080 -1.5654 -1.4807 -1.2798 -0.1645 -0.1583 0.4892 0.5292 0.6005 0.6088 1.0790 1.0994 1.2348 1.2371 1.4935 1.5080 1.6000 1.6036 2.1204 2.1291 2.1972 2.2063 2.3831 2.3832 2.4991 2.5090 2.9844 2.9858 3.1048 3.1545 3.1598 3.1697 3.3374 3.3678 3.8439 3.8992 3.9377 3.9450 4.9739 4.9827 5.0361 5.0413 8.4183 8.4208 11.5242 11.8086 12.0442 12.4294 12.8318 12.8643 k = 0.3333 0.5774 0.2743 ( 4653 PWs) bands (ev): -22.2835 -22.2835 -17.4174 -17.4163 -14.2211 -14.1958 -14.0756 -14.0543 -14.0407 -13.9955 -12.6479 -12.6466 -12.6352 -12.6343 -6.4038 -6.2938 -6.0795 -5.9452 -5.8413 -5.8135 -5.2674 -5.1953 -2.1125 -2.0390 -1.7126 -1.5730 -1.4895 -1.2907 -0.1638 -0.1576 0.4865 0.5268 0.6037 0.6119 1.0868 1.1080 1.2330 1.2357 1.4966 1.5116 1.6032 1.6081 2.1207 2.1288 2.2016 2.2109 2.3933 2.3937 2.4986 2.5076 2.9855 2.9868 3.1044 3.1541 3.1594 3.1691 3.3339 3.3647 3.8403 3.8957 3.9404 3.9477 4.9755 4.9843 5.0369 5.0419 8.4123 8.4147 11.4908 11.8057 12.0060 12.4285 12.8391 12.8602 k = 0.3333 0.5774 0.2895 ( 4641 PWs) bands (ev): -22.2835 -22.2835 -17.4171 -17.4160 -14.2212 -14.1966 -14.0759 -14.0537 -14.0413 -13.9957 -12.6491 -12.6478 -12.6352 -12.6342 -6.3848 -6.2734 -6.0766 -5.9414 -5.8382 -5.8101 -5.2912 -5.2202 -2.1139 -2.0383 -1.7169 -1.5806 -1.4999 -1.3035 -0.1634 -0.1572 0.4840 0.5245 0.6066 0.6146 1.0940 1.1159 1.2311 1.2343 1.5000 1.5157 1.6089 1.6152 2.1212 2.1286 2.2062 2.2157 2.4040 2.4049 2.4981 2.5059 2.9874 2.9885 3.1036 3.1536 3.1588 3.1679 3.3300 3.3614 3.8368 3.8924 3.9434 3.9506 4.9770 4.9858 5.0379 5.0428 8.4058 8.4080 11.4549 11.8016 11.9638 12.4258 12.8480 12.8613 k = 0.3333 0.5774 0.3048 ( 4647 PWs) bands (ev): -22.2835 -22.2835 -17.4168 -17.4157 -14.2214 -14.1973 -14.0761 -14.0530 -14.0416 -13.9958 -12.6503 -12.6489 -12.6356 -12.6346 -6.3644 -6.2514 -6.0736 -5.9367 -5.8346 -5.8067 -5.3168 -5.2471 -2.1151 -2.0378 -1.7209 -1.5879 -1.5117 -1.3180 -0.1633 -0.1571 0.4817 0.5224 0.6089 0.6167 1.1002 1.1229 1.2291 1.2329 1.5036 1.5200 1.6169 1.6247 2.1217 2.1283 2.2109 2.2206 2.4152 2.4165 2.4976 2.5042 2.9901 2.9909 3.1025 3.1528 3.1580 3.1664 3.3259 3.3579 3.8335 3.8893 3.9466 3.9538 4.9783 4.9871 5.0390 5.0437 8.3988 8.4008 11.4173 11.7962 11.9190 12.4214 12.8585 12.8665 k = 0.3333 0.5774 0.3200 ( 4647 PWs) bands (ev): -22.2835 -22.2835 -17.4165 -17.4154 -14.2216 -14.1978 -14.0764 -14.0524 -14.0418 -13.9955 -12.6513 -12.6500 -12.6364 -12.6354 -6.3429 -6.2278 -6.0703 -5.9312 -5.8307 -5.8036 -5.3440 -5.2758 -2.1162 -2.0374 -1.7244 -1.5950 -1.5248 -1.3340 -0.1636 -0.1573 0.4796 0.5205 0.6107 0.6183 1.1055 1.1289 1.2272 1.2315 1.5074 1.5245 1.6272 1.6363 2.1223 2.1281 2.2158 2.2255 2.4265 2.4286 2.4971 2.5023 2.9934 2.9941 3.1011 3.1518 3.1570 3.1644 3.3216 3.3542 3.8304 3.8864 3.9500 3.9572 4.9795 4.9883 5.0402 5.0449 8.3913 8.3933 11.3787 11.7897 11.8726 12.4154 12.8704 12.8749 k = 0.3333 0.5774 0.3352 ( 4653 PWs) bands (ev): -22.2835 -22.2835 -17.4163 -17.4152 -14.2218 -14.1983 -14.0766 -14.0519 -14.0418 -13.9950 -12.6522 -12.6509 -12.6376 -12.6366 -6.3202 -6.2029 -6.0669 -5.9248 -5.8265 -5.8007 -5.3727 -5.3061 -2.1170 -2.0373 -1.7274 -1.6016 -1.5387 -1.3513 -0.1641 -0.1579 0.4778 0.5189 0.6120 0.6194 1.1097 1.1339 1.2253 1.2301 1.5114 1.5291 1.6395 1.6499 2.1229 2.1279 2.2208 2.2306 2.4377 2.4408 2.4968 2.5003 2.9974 2.9979 3.0995 3.1506 3.1559 3.1621 3.3171 3.3504 3.8276 3.8838 3.9535 3.9607 4.9804 4.9892 5.0415 5.0461 8.3836 8.3854 11.3397 11.7820 11.8258 12.4078 12.8834 12.8857 k = 0.3333 0.5774 0.3505 ( 4662 PWs) bands (ev): -22.2835 -22.2835 -17.4161 -17.4150 -14.2220 -14.1986 -14.0768 -14.0515 -14.0416 -13.9942 -12.6530 -12.6517 -12.6392 -12.6382 -6.2965 -6.1766 -6.0634 -5.9176 -5.8219 -5.7980 -5.4027 -5.3380 -2.1176 -2.0375 -1.7299 -1.6077 -1.5534 -1.3696 -0.1650 -0.1588 0.4763 0.5176 0.6126 0.6199 1.1130 1.1377 1.2235 1.2288 1.5154 1.5338 1.6536 1.6651 2.1236 2.1277 2.2258 2.2357 2.4484 2.4531 2.4969 2.4982 3.0019 3.0022 3.0976 3.1493 3.1546 3.1593 3.3125 3.3465 3.8252 3.8815 3.9571 3.9643 4.9811 4.9900 5.0429 5.0474 8.3757 8.3773 11.3009 11.7733 11.7793 12.3986 12.8973 12.8983 k = 0.3333 0.5774 0.3657 ( 4656 PWs) bands (ev): -22.2835 -22.2835 -17.4159 -17.4148 -14.2222 -14.1988 -14.0770 -14.0511 -14.0411 -13.9932 -12.6536 -12.6524 -12.6411 -12.6401 -6.2720 -6.1490 -6.0599 -5.9096 -5.8172 -5.7957 -5.4337 -5.3712 -2.1179 -2.0380 -1.7319 -1.6133 -1.5684 -1.3886 -0.1661 -0.1599 0.4752 0.5165 0.6128 0.6198 1.1154 1.1405 1.2219 1.2276 1.5194 1.5385 1.6691 1.6817 2.1243 2.1276 2.2309 2.2409 2.4581 2.4654 2.4960 2.4978 3.0070 3.0071 3.0955 3.1478 3.1533 3.1563 3.3080 3.3426 3.8230 3.8796 3.9608 3.9680 4.9817 4.9905 5.0444 5.0489 8.3677 8.3692 11.2629 11.7339 11.7638 12.3882 12.9119 12.9122 k = 0.3333 0.5774 0.3809 ( 4653 PWs) bands (ev): -22.2835 -22.2835 -17.4158 -17.4147 -14.2224 -14.1989 -14.0772 -14.0508 -14.0405 -13.9920 -12.6541 -12.6530 -12.6434 -12.6423 -6.2468 -6.1201 -6.0564 -5.9009 -5.8122 -5.7936 -5.4656 -5.4056 -2.1180 -2.0390 -1.7334 -1.6182 -1.5836 -1.4081 -0.1676 -0.1614 0.4743 0.5158 0.6123 0.6192 1.1169 1.1423 1.2204 1.2265 1.5233 1.5432 1.6859 1.6992 2.1251 2.1276 2.2361 2.2460 2.4659 2.4772 2.4939 2.5003 3.0123 3.0126 3.0932 3.1461 3.1518 3.1530 3.3034 3.3388 3.8213 3.8780 3.9645 3.9717 4.9820 4.9908 5.0459 5.0505 8.3598 8.3612 11.2261 11.6902 11.7535 12.3764 12.9270 12.9270 k = 0.3333 0.5774 0.3962 ( 4647 PWs) bands (ev): -22.2835 -22.2835 -17.4157 -17.4146 -14.2226 -14.1989 -14.0773 -14.0506 -14.0397 -13.9906 -12.6545 -12.6533 -12.6459 -12.6449 -6.2213 -6.0902 -6.0531 -5.8915 -5.8071 -5.7920 -5.4982 -5.4411 -2.1177 -2.0404 -1.7344 -1.6225 -1.5986 -1.4279 -0.1693 -0.1632 0.4738 0.5154 0.6113 0.6180 1.1176 1.1432 1.2191 1.2255 1.5271 1.5478 1.7034 1.7174 2.1260 2.1276 2.2412 2.2511 2.4710 2.4868 2.4936 2.5049 3.0179 3.0185 3.0908 3.1443 3.1495 3.1503 3.2990 3.3350 3.8200 3.8769 3.9682 3.9753 4.9821 4.9909 5.0476 5.0521 8.3520 8.3532 11.1910 11.6485 11.7425 12.3637 12.9425 12.9425 k = 0.3333 0.5774 0.4114 ( 4638 PWs) bands (ev): -22.2835 -22.2835 -17.4156 -17.4145 -14.2227 -14.1987 -14.0775 -14.0505 -14.0387 -13.9889 -12.6547 -12.6536 -12.6488 -12.6477 -6.1956 -6.0592 -6.0499 -5.8814 -5.8019 -5.7907 -5.5311 -5.4775 -2.1172 -2.0424 -1.7348 -1.6259 -1.6133 -1.4476 -0.1712 -0.1652 0.4735 0.5152 0.6098 0.6163 1.1177 1.1434 1.2180 1.2247 1.5307 1.5521 1.7213 1.7358 2.1269 2.1277 2.2462 2.2561 2.4733 2.4871 2.5020 2.5117 3.0237 3.0248 3.0884 3.1423 3.1460 3.1488 3.2946 3.3313 3.8192 3.8762 3.9717 3.9789 4.9819 4.9908 5.0491 5.0537 8.3444 8.3456 11.1579 11.6094 11.7312 12.3502 12.9581 12.9584 Writing output data file KNiIO6.save init_run : 1.39s CPU 0.81s WALL ( 1 calls) electrons : 466.46s CPU 355.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 466.45s CPU 355.63s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.35s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.53s CPU 0.55s WALL ( 294 calls) cegterg : 415.17s CPU 325.52s WALL ( 574 calls) Called by sum_band: Called by *egterg: h_psi : 256.98s CPU 166.03s WALL ( 9797 calls) s_psi : 16.24s CPU 11.95s WALL ( 9797 calls) g_psi : 0.38s CPU 0.38s WALL ( 8929 calls) cdiaghg : 140.84s CPU 132.31s WALL ( 9223 calls) cegterg:over : 16.56s CPU 14.29s WALL ( 8929 calls) cegterg:upda : 14.70s CPU 13.14s WALL ( 8929 calls) cegterg:last : 5.77s CPU 5.73s WALL ( 1399 calls) cdiaghg:chol : 7.74s CPU 7.67s WALL ( 9223 calls) cdiaghg:inve : 5.65s CPU 5.34s WALL ( 9223 calls) cdiaghg:para : 9.56s CPU 9.55s WALL ( 18446 calls) Called by h_psi: h_psi:vloc : 222.04s CPU 139.76s WALL ( 9797 calls) h_psi:vnl : 34.33s CPU 25.81s WALL ( 9797 calls) add_vuspsi : 19.11s CPU 13.98s WALL ( 9797 calls) General routines calbec : 15.17s CPU 11.80s WALL ( 9797 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 210.60s CPU 131.13s WALL ( 1169224 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.24s CPU 1.31s WALL ( 588 calls) Parallel routines fft_scatter : 68.76s CPU 51.00s WALL ( 1169247 calls) PWSCF : 8m10.29s CPU 6m34.72s WALL This run was terminated on: 4: 8:52 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=