Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:42: 5 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: ./SO2.save/ 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 53 31 8 2083 911 140 Max 54 32 9 2088 930 149 Sum 1921 1123 313 75083 33183 5221 bravais-lattice index = 14 lattice parameter (alat) = 9.2814 a.u. unit-cell volume = 761.8241 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 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)= 9.281389 celldm(2)= 1.000000 celldm(3)= 1.100234 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 1.100234 ) 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 0.908897 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) O 6.00 15.99940 O( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3667447 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3667447 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3667447 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3667447 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 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 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0033003 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0033003 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0033003 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0033003 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0033003 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0033003 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0033003 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0033003 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0033003 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0033003 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0033003 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0033003 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0033003 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0033003 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0033003 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0033003 k( 43) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0033003 k( 44) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0033003 k( 53) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0033003 k( 54) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0033003 k( 55) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0033003 k( 56) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0033003 k( 57) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0033003 k( 58) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0033003 k( 59) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0033003 k( 67) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0033003 k( 68) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0033003 k( 69) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0033003 k( 70) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0033003 k( 71) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0033003 k( 72) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0033003 k( 73) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0033003 k( 74) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0033003 k( 75) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0033003 k( 80) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0033003 k( 81) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0033003 k( 82) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0033003 k( 83) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0033003 k( 84) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0033003 k( 85) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0033003 k( 86) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0033003 k( 87) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0033003 k( 88) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0033003 k( 89) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0033003 k( 90) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0033003 k( 92) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0033003 k( 93) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0033003 k( 94) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0033003 k( 95) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0033003 k( 96) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0033003 k( 97) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0033003 k( 98) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0033003 k( 99) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0033003 k( 100) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0033003 k( 101) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0033003 k( 102) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0033003 k( 103) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0033003 k( 104) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.0151483), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.0302966), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.0454449), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.0605932), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.0757415), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.0908897), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.1060380), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.1211863), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.1363346), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.1514829), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.1666312), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.1817795), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.1969278), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.2120761), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.2272244), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.2423727), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.2575209), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.2726692), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.2878175), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.3029658), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.3181141), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.3332624), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.3484107), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.3635590), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.3787073), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.3938556), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.4090038), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.4241521), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.4393004), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.4544487), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.4544487), wk = 0.0033003 k( 138) = ( 0.0135135 0.0078020 0.4544487), wk = 0.0033003 k( 139) = ( 0.0270270 0.0156041 0.4544487), wk = 0.0033003 k( 140) = ( 0.0405405 0.0234061 0.4544487), wk = 0.0033003 k( 141) = ( 0.0540540 0.0312081 0.4544487), wk = 0.0033003 k( 142) = ( 0.0675676 0.0390102 0.4544487), wk = 0.0033003 k( 143) = ( 0.0810811 0.0468122 0.4544487), wk = 0.0033003 k( 144) = ( 0.0945946 0.0546142 0.4544487), wk = 0.0033003 k( 145) = ( 0.1081081 0.0624162 0.4544487), wk = 0.0033003 k( 146) = ( 0.1216216 0.0702183 0.4544487), wk = 0.0033003 k( 147) = ( 0.1351351 0.0780203 0.4544487), wk = 0.0033003 k( 148) = ( 0.1486486 0.0858223 0.4544487), wk = 0.0033003 k( 149) = ( 0.1621622 0.0936244 0.4544487), wk = 0.0033003 k( 150) = ( 0.1756757 0.1014264 0.4544487), wk = 0.0033003 k( 151) = ( 0.1891892 0.1092284 0.4544487), wk = 0.0033003 k( 152) = ( 0.2027027 0.1170305 0.4544487), wk = 0.0033003 k( 153) = ( 0.2162162 0.1248325 0.4544487), wk = 0.0033003 k( 154) = ( 0.2297297 0.1326345 0.4544487), wk = 0.0033003 k( 155) = ( 0.2432432 0.1404366 0.4544487), wk = 0.0033003 k( 156) = ( 0.2567568 0.1482386 0.4544487), wk = 0.0033003 k( 157) = ( 0.2702703 0.1560406 0.4544487), wk = 0.0033003 k( 158) = ( 0.2837838 0.1638426 0.4544487), wk = 0.0033003 k( 159) = ( 0.2972973 0.1716447 0.4544487), wk = 0.0033003 k( 160) = ( 0.3108108 0.1794467 0.4544487), wk = 0.0033003 k( 161) = ( 0.3243243 0.1872487 0.4544487), wk = 0.0033003 k( 162) = ( 0.3378378 0.1950508 0.4544487), wk = 0.0033003 k( 163) = ( 0.3513514 0.2028528 0.4544487), wk = 0.0033003 k( 164) = ( 0.3648649 0.2106548 0.4544487), wk = 0.0033003 k( 165) = ( 0.3783784 0.2184569 0.4544487), wk = 0.0033003 k( 166) = ( 0.3918919 0.2262589 0.4544487), wk = 0.0033003 k( 167) = ( 0.4054054 0.2340609 0.4544487), wk = 0.0033003 k( 168) = ( 0.4189189 0.2418630 0.4544487), wk = 0.0033003 k( 169) = ( 0.4324324 0.2496650 0.4544487), wk = 0.0033003 k( 170) = ( 0.4459459 0.2574670 0.4544487), wk = 0.0033003 k( 171) = ( 0.4594595 0.2652690 0.4544487), wk = 0.0033003 k( 172) = ( 0.4729730 0.2730711 0.4544487), wk = 0.0033003 k( 173) = ( 0.4864865 0.2808731 0.4544487), wk = 0.0033003 k( 174) = ( 0.5000000 0.2886751 0.4544487), wk = 0.0033003 k( 175) = ( 0.5000000 0.2886751 0.4544487), wk = 0.0033003 k( 176) = ( 0.4924242 0.3017967 0.4544487), wk = 0.0033003 k( 177) = ( 0.4848485 0.3149183 0.4544487), wk = 0.0033003 k( 178) = ( 0.4772727 0.3280399 0.4544487), wk = 0.0033003 k( 179) = ( 0.4696970 0.3411615 0.4544487), wk = 0.0033003 k( 180) = ( 0.4621212 0.3542831 0.4544487), wk = 0.0033003 k( 181) = ( 0.4545455 0.3674047 0.4544487), wk = 0.0033003 k( 182) = ( 0.4469697 0.3805263 0.4544487), wk = 0.0033003 k( 183) = ( 0.4393939 0.3936479 0.4544487), wk = 0.0033003 k( 184) = ( 0.4318182 0.4067695 0.4544487), wk = 0.0033003 k( 185) = ( 0.4242424 0.4198911 0.4544487), wk = 0.0033003 k( 186) = ( 0.4166667 0.4330127 0.4544487), wk = 0.0033003 k( 187) = ( 0.4090909 0.4461343 0.4544487), wk = 0.0033003 k( 188) = ( 0.4015151 0.4592559 0.4544487), wk = 0.0033003 k( 189) = ( 0.3939394 0.4723775 0.4544487), wk = 0.0033003 k( 190) = ( 0.3863636 0.4854991 0.4544487), wk = 0.0033003 k( 191) = ( 0.3787879 0.4986207 0.4544487), wk = 0.0033003 k( 192) = ( 0.3712121 0.5117423 0.4544487), wk = 0.0033003 k( 193) = ( 0.3636364 0.5248639 0.4544487), wk = 0.0033003 k( 194) = ( 0.3560606 0.5379855 0.4544487), wk = 0.0033003 k( 195) = ( 0.3484849 0.5511071 0.4544487), wk = 0.0033003 k( 196) = ( 0.3409091 0.5642287 0.4544487), wk = 0.0033003 k( 197) = ( 0.3333333 0.5773503 0.4544487), wk = 0.0033003 k( 198) = ( 0.3333333 0.5773503 0.4544487), wk = 0.0033003 k( 199) = ( 0.3255814 0.5639235 0.4544487), wk = 0.0033003 k( 200) = ( 0.3178295 0.5504968 0.4544487), wk = 0.0033003 k( 201) = ( 0.3100775 0.5370700 0.4544487), wk = 0.0033003 k( 202) = ( 0.3023256 0.5236433 0.4544487), wk = 0.0033003 k( 203) = ( 0.2945736 0.5102165 0.4544487), wk = 0.0033003 k( 204) = ( 0.2868217 0.4967898 0.4544487), wk = 0.0033003 k( 205) = ( 0.2790698 0.4833630 0.4544487), wk = 0.0033003 k( 206) = ( 0.2713178 0.4699363 0.4544487), wk = 0.0033003 k( 207) = ( 0.2635659 0.4565095 0.4544487), wk = 0.0033003 k( 208) = ( 0.2558140 0.4430828 0.4544487), wk = 0.0033003 k( 209) = ( 0.2480620 0.4296560 0.4544487), wk = 0.0033003 k( 210) = ( 0.2403101 0.4162293 0.4544487), wk = 0.0033003 k( 211) = ( 0.2325581 0.4028025 0.4544487), wk = 0.0033003 k( 212) = ( 0.2248062 0.3893758 0.4544487), wk = 0.0033003 k( 213) = ( 0.2170543 0.3759490 0.4544487), wk = 0.0033003 k( 214) = ( 0.2093023 0.3625223 0.4544487), wk = 0.0033003 k( 215) = ( 0.2015504 0.3490955 0.4544487), wk = 0.0033003 k( 216) = ( 0.1937985 0.3356688 0.4544487), wk = 0.0033003 k( 217) = ( 0.1860465 0.3222420 0.4544487), wk = 0.0033003 k( 218) = ( 0.1782946 0.3088153 0.4544487), wk = 0.0033003 k( 219) = ( 0.1705426 0.2953885 0.4544487), wk = 0.0033003 k( 220) = ( 0.1627907 0.2819618 0.4544487), wk = 0.0033003 k( 221) = ( 0.1550388 0.2685350 0.4544487), wk = 0.0033003 k( 222) = ( 0.1472868 0.2551083 0.4544487), wk = 0.0033003 k( 223) = ( 0.1395349 0.2416815 0.4544487), wk = 0.0033003 k( 224) = ( 0.1317830 0.2282548 0.4544487), wk = 0.0033003 k( 225) = ( 0.1240310 0.2148280 0.4544487), wk = 0.0033003 k( 226) = ( 0.1162791 0.2014013 0.4544487), wk = 0.0033003 k( 227) = ( 0.1085271 0.1879745 0.4544487), wk = 0.0033003 k( 228) = ( 0.1007752 0.1745477 0.4544487), wk = 0.0033003 k( 229) = ( 0.0930233 0.1611210 0.4544487), wk = 0.0033003 k( 230) = ( 0.0852713 0.1476943 0.4544487), wk = 0.0033003 k( 231) = ( 0.0775194 0.1342675 0.4544487), wk = 0.0033003 k( 232) = ( 0.0697674 0.1208408 0.4544487), wk = 0.0033003 k( 233) = ( 0.0620155 0.1074140 0.4544487), wk = 0.0033003 k( 234) = ( 0.0542636 0.0939873 0.4544487), wk = 0.0033003 k( 235) = ( 0.0465116 0.0805605 0.4544487), wk = 0.0033003 k( 236) = ( 0.0387597 0.0671338 0.4544487), wk = 0.0033003 k( 237) = ( 0.0310078 0.0537070 0.4544487), wk = 0.0033003 k( 238) = ( 0.0232558 0.0402802 0.4544487), wk = 0.0033003 k( 239) = ( 0.0155039 0.0268535 0.4544487), wk = 0.0033003 k( 240) = ( 0.0077519 0.0134268 0.4544487), wk = 0.0033003 k( 241) = ( 0.0000000 0.0000000 0.4544487), wk = 0.0033003 k( 242) = ( 0.5000000 0.2886751 0.4544487), wk = 0.0033003 k( 243) = ( 0.5000000 0.2886751 0.4393004), wk = 0.0033003 k( 244) = ( 0.5000000 0.2886751 0.4241521), wk = 0.0033003 k( 245) = ( 0.5000000 0.2886751 0.4090038), wk = 0.0033003 k( 246) = ( 0.5000000 0.2886751 0.3938556), wk = 0.0033003 k( 247) = ( 0.5000000 0.2886751 0.3787073), wk = 0.0033003 k( 248) = ( 0.5000000 0.2886751 0.3635590), wk = 0.0033003 k( 249) = ( 0.5000000 0.2886751 0.3484107), wk = 0.0033003 k( 250) = ( 0.5000000 0.2886751 0.3332624), wk = 0.0033003 k( 251) = ( 0.5000000 0.2886751 0.3181141), wk = 0.0033003 k( 252) = ( 0.5000000 0.2886751 0.3029658), wk = 0.0033003 k( 253) = ( 0.5000000 0.2886751 0.2878175), wk = 0.0033003 k( 254) = ( 0.5000000 0.2886751 0.2726692), wk = 0.0033003 k( 255) = ( 0.5000000 0.2886751 0.2575209), wk = 0.0033003 k( 256) = ( 0.5000000 0.2886751 0.2423727), wk = 0.0033003 k( 257) = ( 0.5000000 0.2886751 0.2272244), wk = 0.0033003 k( 258) = ( 0.5000000 0.2886751 0.2120761), wk = 0.0033003 k( 259) = ( 0.5000000 0.2886751 0.1969278), wk = 0.0033003 k( 260) = ( 0.5000000 0.2886751 0.1817795), wk = 0.0033003 k( 261) = ( 0.5000000 0.2886751 0.1666312), wk = 0.0033003 k( 262) = ( 0.5000000 0.2886751 0.1514829), wk = 0.0033003 k( 263) = ( 0.5000000 0.2886751 0.1363346), wk = 0.0033003 k( 264) = ( 0.5000000 0.2886751 0.1211863), wk = 0.0033003 k( 265) = ( 0.5000000 0.2886751 0.1060380), wk = 0.0033003 k( 266) = ( 0.5000000 0.2886751 0.0908897), wk = 0.0033003 k( 267) = ( 0.5000000 0.2886751 0.0757415), wk = 0.0033003 k( 268) = ( 0.5000000 0.2886751 0.0605932), wk = 0.0033003 k( 269) = ( 0.5000000 0.2886751 0.0454449), wk = 0.0033003 k( 270) = ( 0.5000000 0.2886751 0.0302966), wk = 0.0033003 k( 271) = ( 0.5000000 0.2886751 0.0151483), wk = 0.0033003 k( 272) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 273) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 274) = ( 0.3333333 0.5773503 0.0151483), wk = 0.0033003 k( 275) = ( 0.3333333 0.5773503 0.0302966), wk = 0.0033003 k( 276) = ( 0.3333333 0.5773503 0.0454449), wk = 0.0033003 k( 277) = ( 0.3333333 0.5773503 0.0605932), wk = 0.0033003 k( 278) = ( 0.3333333 0.5773503 0.0757415), wk = 0.0033003 k( 279) = ( 0.3333333 0.5773503 0.0908897), wk = 0.0033003 k( 280) = ( 0.3333333 0.5773503 0.1060380), wk = 0.0033003 k( 281) = ( 0.3333333 0.5773503 0.1211863), wk = 0.0033003 k( 282) = ( 0.3333333 0.5773503 0.1363346), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 0.1514829), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.1666312), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.1817795), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.1969278), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.2120761), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.2272244), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.2423727), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.2575209), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.2726692), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.2878175), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.3029658), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.3181141), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.3332624), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.3484107), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.3635590), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.3787073), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.3938556), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.4090038), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.4241521), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.4393004), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.4544487), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0135135 0.0000000 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0270270 0.0000000 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0033003 k( 5) = ( 0.0540540 0.0000000 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0675676 -0.0000000 0.0000000), wk = 0.0033003 k( 7) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0033003 k( 8) = ( 0.0945946 -0.0000000 -0.0000000), wk = 0.0033003 k( 9) = ( 0.1081081 0.0000000 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1216216 0.0000000 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1351351 -0.0000000 0.0000000), wk = 0.0033003 k( 12) = ( 0.1486486 -0.0000000 0.0000000), wk = 0.0033003 k( 13) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0033003 k( 14) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0033003 k( 15) = ( 0.1891892 -0.0000000 -0.0000000), wk = 0.0033003 k( 16) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0033003 k( 17) = ( 0.2162162 0.0000000 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2297297 0.0000000 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2432432 0.0000000 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2567568 -0.0000000 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0033003 k( 22) = ( 0.2837838 -0.0000000 0.0000000), wk = 0.0033003 k( 23) = ( 0.2972973 -0.0000000 0.0000000), wk = 0.0033003 k( 24) = ( 0.3108108 0.0000000 -0.0000000), wk = 0.0033003 k( 25) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0033003 k( 26) = ( 0.3378378 0.0000000 -0.0000000), wk = 0.0033003 k( 27) = ( 0.3513514 0.0000000 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3648649 0.0000000 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3783784 -0.0000000 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3918919 0.0000000 -0.0000000), wk = 0.0033003 k( 31) = ( 0.4054054 0.0000000 -0.0000000), wk = 0.0033003 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0033003 k( 33) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0033003 k( 34) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0033003 k( 35) = ( 0.4594595 0.0000000 -0.0000000), wk = 0.0033003 k( 36) = ( 0.4729730 0.0000000 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4864865 0.0000000 -0.0000000), wk = 0.0033003 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033003 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033003 k( 40) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0033003 k( 41) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4772727 0.0454546 0.0000000), wk = 0.0033003 k( 43) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0033003 k( 44) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0033003 k( 48) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0033003 k( 49) = ( 0.4242424 0.1515152 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0033003 k( 53) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0033003 k( 54) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0033003 k( 55) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0033003 k( 56) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0033003 k( 57) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0033003 k( 58) = ( 0.3560606 0.2878788 -0.0000000), wk = 0.0033003 k( 59) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 63) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3178295 0.3178295 0.0000000), wk = 0.0033003 k( 65) = ( 0.3100775 0.3100775 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0033003 k( 67) = ( 0.2945736 0.2945736 -0.0000000), wk = 0.0033003 k( 68) = ( 0.2868217 0.2868217 -0.0000000), wk = 0.0033003 k( 69) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0033003 k( 70) = ( 0.2713178 0.2713178 -0.0000000), wk = 0.0033003 k( 71) = ( 0.2635659 0.2635659 -0.0000000), wk = 0.0033003 k( 72) = ( 0.2558140 0.2558139 -0.0000000), wk = 0.0033003 k( 73) = ( 0.2480620 0.2480620 -0.0000000), wk = 0.0033003 k( 74) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0033003 k( 75) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2248062 0.2248062 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2170543 0.2170543 0.0000000), wk = 0.0033003 k( 78) = ( 0.2093023 0.2093023 0.0000000), wk = 0.0033003 k( 79) = ( 0.2015504 0.2015504 -0.0000000), wk = 0.0033003 k( 80) = ( 0.1937985 0.1937984 -0.0000000), wk = 0.0033003 k( 81) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0033003 k( 82) = ( 0.1782946 0.1782946 -0.0000000), wk = 0.0033003 k( 83) = ( 0.1705426 0.1705426 -0.0000000), wk = 0.0033003 k( 84) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0033003 k( 85) = ( 0.1550388 0.1550388 -0.0000000), wk = 0.0033003 k( 86) = ( 0.1472868 0.1472868 -0.0000000), wk = 0.0033003 k( 87) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0033003 k( 88) = ( 0.1317830 0.1317830 0.0000000), wk = 0.0033003 k( 89) = ( 0.1240310 0.1240310 -0.0000000), wk = 0.0033003 k( 90) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1085271 0.1085271 0.0000000), wk = 0.0033003 k( 92) = ( 0.1007752 0.1007752 -0.0000000), wk = 0.0033003 k( 93) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0033003 k( 94) = ( 0.0852713 0.0852713 -0.0000000), wk = 0.0033003 k( 95) = ( 0.0775194 0.0775194 -0.0000000), wk = 0.0033003 k( 96) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0033003 k( 97) = ( 0.0620155 0.0620155 -0.0000000), wk = 0.0033003 k( 98) = ( 0.0542636 0.0542636 -0.0000000), wk = 0.0033003 k( 99) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0033003 k( 100) = ( 0.0387597 0.0387597 -0.0000000), wk = 0.0033003 k( 101) = ( 0.0310078 0.0310078 -0.0000000), wk = 0.0033003 k( 102) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0033003 k( 103) = ( 0.0155039 0.0155039 -0.0000000), wk = 0.0033003 k( 104) = ( 0.0077519 0.0077519 -0.0000000), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 138) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0033003 k( 139) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0033003 k( 140) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0033003 k( 141) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0033003 k( 142) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0033003 k( 143) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0033003 k( 144) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0033003 k( 145) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0033003 k( 146) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0033003 k( 147) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0033003 k( 148) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0033003 k( 149) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0033003 k( 150) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0033003 k( 151) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0033003 k( 152) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0033003 k( 153) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0033003 k( 154) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0033003 k( 155) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0033003 k( 156) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0033003 k( 157) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0033003 k( 158) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0033003 k( 159) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0033003 k( 160) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0033003 k( 161) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0033003 k( 162) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0033003 k( 163) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0033003 k( 164) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0033003 k( 165) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0033003 k( 166) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0033003 k( 167) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0033003 k( 168) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0033003 k( 169) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0033003 k( 170) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0033003 k( 171) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0033003 k( 172) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0033003 k( 173) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0033003 k( 174) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 176) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0033003 k( 177) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0033003 k( 178) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0033003 k( 179) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0033003 k( 180) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0033003 k( 181) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0033003 k( 182) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0033003 k( 183) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0033003 k( 184) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0033003 k( 185) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0033003 k( 186) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033003 k( 187) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0033003 k( 188) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0033003 k( 189) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0033003 k( 190) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0033003 k( 191) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0033003 k( 192) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0033003 k( 193) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0033003 k( 194) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0033003 k( 195) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0033003 k( 196) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0033003 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 198) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 199) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0033003 k( 200) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0033003 k( 201) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0033003 k( 202) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0033003 k( 203) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0033003 k( 204) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0033003 k( 205) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0033003 k( 206) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0033003 k( 207) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0033003 k( 208) = ( 0.2558140 0.2558139 0.5000000), wk = 0.0033003 k( 209) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0033003 k( 210) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0033003 k( 211) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0033003 k( 212) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0033003 k( 213) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0033003 k( 214) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0033003 k( 215) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0033003 k( 216) = ( 0.1937985 0.1937984 0.5000000), wk = 0.0033003 k( 217) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0033003 k( 218) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0033003 k( 219) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0033003 k( 220) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0033003 k( 221) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0033003 k( 222) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0033003 k( 223) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0033003 k( 224) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0033003 k( 225) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0033003 k( 226) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0033003 k( 227) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0033003 k( 228) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0033003 k( 229) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0033003 k( 230) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0033003 k( 231) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0033003 k( 232) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0033003 k( 233) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0033003 k( 234) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0033003 k( 235) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0033003 k( 236) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0033003 k( 237) = ( 0.0310078 0.0310078 0.5000000), wk = 0.0033003 k( 238) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0033003 k( 239) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0033003 k( 240) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0033003 k( 241) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 242) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 243) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0033003 k( 244) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0033003 k( 245) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0033003 k( 246) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0033003 k( 247) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033003 k( 248) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0033003 k( 249) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0033003 k( 250) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0033003 k( 251) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0033003 k( 252) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033003 k( 253) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0033003 k( 254) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0033003 k( 255) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0033003 k( 256) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0033003 k( 257) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033003 k( 258) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0033003 k( 259) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0033003 k( 260) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0033003 k( 261) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0033003 k( 262) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033003 k( 263) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0033003 k( 264) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0033003 k( 265) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0033003 k( 266) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0033003 k( 267) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033003 k( 268) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0033003 k( 269) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0033003 k( 270) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0033003 k( 271) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0033003 k( 272) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033003 k( 273) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 274) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0033003 k( 275) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0033003 k( 276) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0033003 k( 277) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0033003 k( 278) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033003 k( 279) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033003 k( 280) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0033003 k( 281) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0033003 k( 282) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0033003 k( 283) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033003 k( 284) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0033003 k( 285) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033003 k( 286) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0033003 k( 287) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0033003 k( 288) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033003 k( 289) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0033003 k( 290) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0033003 k( 291) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033003 k( 292) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0033003 k( 293) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033003 k( 294) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0033003 k( 295) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0033003 k( 296) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0033003 k( 297) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033003 k( 298) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033003 k( 299) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0033003 k( 300) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0033003 k( 301) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0033003 k( 302) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0033003 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 Dense grid: 75083 G-vectors FFT dimensions: ( 54, 54, 60) Smooth grid: 33183 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 240, 64) NL pseudopotentials 0.34 Mb ( 120, 186) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2088) G-vector shells 0.01 Mb ( 996) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 240, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.36 Mb ( 186, 2, 64) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.5 secs Computing kpt #: 5 total cpu time spent up to now is 8.5 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 total cpu time spent up to now is 11.5 secs Computing kpt #: 8 total cpu time spent up to now is 13.0 secs Computing kpt #: 9 total cpu time spent up to now is 14.4 secs Computing kpt #: 10 total cpu time spent up to now is 15.4 secs Computing kpt #: 11 total cpu time spent up to now is 16.4 secs Computing kpt #: 12 total cpu time spent up to now is 17.4 secs Computing kpt #: 13 total cpu time spent up to now is 18.4 secs Computing kpt #: 14 total cpu time spent up to now is 19.4 secs Computing kpt #: 15 total cpu time spent up to now is 20.4 secs Computing kpt #: 16 total cpu time spent up to now is 21.5 secs Computing kpt #: 17 total cpu time spent up to now is 22.5 secs Computing kpt #: 18 total cpu time spent up to now is 23.5 secs Computing kpt #: 19 total cpu time spent up to now is 24.5 secs Computing kpt #: 20 total cpu time spent up to now is 25.4 secs Computing kpt #: 21 total cpu time spent up to now is 26.5 secs Computing kpt #: 22 total cpu time spent up to now is 27.5 secs Computing kpt #: 23 total cpu time spent up to now is 28.5 secs Computing kpt #: 24 total cpu time spent up to now is 29.5 secs Computing kpt #: 25 total cpu time spent up to now is 30.5 secs Computing kpt #: 26 total cpu time spent up to now is 31.5 secs Computing kpt #: 27 total cpu time spent up to now is 32.4 secs Computing kpt #: 28 total cpu time spent up to now is 33.3 secs Computing kpt #: 29 total cpu time spent up to now is 34.2 secs Computing kpt #: 30 total cpu time spent up to now is 35.1 secs Computing kpt #: 31 total cpu time spent up to now is 36.0 secs Computing kpt #: 32 total cpu time spent up to now is 37.0 secs Computing kpt #: 33 total cpu time spent up to now is 37.8 secs Computing kpt #: 34 total cpu time spent up to now is 38.7 secs Computing kpt #: 35 total cpu time spent up to now is 39.6 secs Computing kpt #: 36 total cpu time spent up to now is 40.5 secs Computing kpt #: 37 total cpu time spent up to now is 41.4 secs Computing kpt #: 38 total cpu time spent up to now is 42.2 secs Computing kpt #: 39 total cpu time spent up to now is 43.1 secs Computing kpt #: 40 total cpu time spent up to now is 44.0 secs Computing kpt #: 41 total cpu time spent up to now is 44.9 secs Computing kpt #: 42 total cpu time spent up to now is 45.8 secs Computing kpt #: 43 total cpu time spent up to now is 46.7 secs Computing kpt #: 44 total cpu time spent up to now is 47.6 secs Computing kpt #: 45 total cpu time spent up to now is 48.5 secs Computing kpt #: 46 total cpu time spent up to now is 49.4 secs Computing kpt #: 47 total cpu time spent up to now is 50.3 secs Computing kpt #: 48 total cpu time spent up to now is 51.3 secs Computing kpt #: 49 total cpu time spent up to now is 52.2 secs Computing kpt #: 50 total cpu time spent up to now is 53.1 secs Computing kpt #: 51 total cpu time spent up to now is 54.0 secs Computing kpt #: 52 total cpu time spent up to now is 54.9 secs Computing kpt #: 53 total cpu time spent up to now is 55.9 secs Computing kpt #: 54 total cpu time spent up to now is 56.8 secs Computing kpt #: 55 total cpu time spent up to now is 57.7 secs Computing kpt #: 56 total cpu time spent up to now is 58.7 secs Computing kpt #: 57 total cpu time spent up to now is 59.7 secs Computing kpt #: 58 total cpu time spent up to now is 60.8 secs Computing kpt #: 59 total cpu time spent up to now is 61.8 secs Computing kpt #: 60 total cpu time spent up to now is 62.8 secs Computing kpt #: 61 total cpu time spent up to now is 63.8 secs Computing kpt #: 62 total cpu time spent up to now is 64.8 secs Computing kpt #: 63 total cpu time spent up to now is 65.8 secs Computing kpt #: 64 total cpu time spent up to now is 66.8 secs Computing kpt #: 65 total cpu time spent up to now is 67.8 secs Computing kpt #: 66 total cpu time spent up to now is 68.7 secs Computing kpt #: 67 total cpu time spent up to now is 69.7 secs Computing kpt #: 68 total cpu time spent up to now is 70.7 secs Computing kpt #: 69 total cpu time spent up to now is 71.7 secs Computing kpt #: 70 total cpu time spent up to now is 72.7 secs Computing kpt #: 71 total cpu time spent up to now is 73.7 secs Computing kpt #: 72 total cpu time spent up to now is 74.7 secs Computing kpt #: 73 total cpu time spent up to now is 75.7 secs Computing kpt #: 74 total cpu time spent up to now is 76.7 secs Computing kpt #: 75 total cpu time spent up to now is 77.7 secs Computing kpt #: 76 total cpu time spent up to now is 78.7 secs Computing kpt #: 77 total cpu time spent up to now is 79.6 secs Computing kpt #: 78 total cpu time spent up to now is 80.6 secs Computing kpt #: 79 total cpu time spent up to now is 81.6 secs Computing kpt #: 80 total cpu time spent up to now is 82.5 secs Computing kpt #: 81 total cpu time spent up to now is 83.5 secs Computing kpt #: 82 total cpu time spent up to now is 84.5 secs Computing kpt #: 83 total cpu time spent up to now is 85.5 secs Computing kpt #: 84 total cpu time spent up to now is 86.5 secs Computing kpt #: 85 total cpu time spent up to now is 87.5 secs Computing kpt #: 86 total cpu time spent up to now is 88.5 secs Computing kpt #: 87 total cpu time spent up to now is 89.5 secs Computing kpt #: 88 total cpu time spent up to now is 90.4 secs Computing kpt #: 89 total cpu time spent up to now is 91.4 secs Computing kpt #: 90 total cpu time spent up to now is 92.4 secs Computing kpt #: 91 total cpu time spent up to now is 93.4 secs Computing kpt #: 92 total cpu time spent up to now is 95.2 secs Computing kpt #: 93 total cpu time spent up to now is 96.2 secs Computing kpt #: 94 total cpu time spent up to now is 97.2 secs Computing kpt #: 95 total cpu time spent up to now is 98.2 secs Computing kpt #: 96 total cpu time spent up to now is 99.2 secs Computing kpt #: 97 total cpu time spent up to now is 100.2 secs Computing kpt #: 98 total cpu time spent up to now is 101.6 secs Computing kpt #: 99 total cpu time spent up to now is 103.1 secs Computing kpt #: 100 total cpu time spent up to now is 104.7 secs Computing kpt #: 101 total cpu time spent up to now is 106.1 secs Computing kpt #: 102 total cpu time spent up to now is 107.7 secs Computing kpt #: 103 total cpu time spent up to now is 109.2 secs Computing kpt #: 104 total cpu time spent up to now is 110.6 secs Computing kpt #: 105 total cpu time spent up to now is 112.0 secs Computing kpt #: 106 total cpu time spent up to now is 113.4 secs Computing kpt #: 107 total cpu time spent up to now is 114.4 secs Computing kpt #: 108 total cpu time spent up to now is 115.8 secs Computing kpt #: 109 total cpu time spent up to now is 117.3 secs Computing kpt #: 110 total cpu time spent up to now is 118.4 secs Computing kpt #: 111 total cpu time spent up to now is 119.4 secs Computing kpt #: 112 total cpu time spent up to now is 120.4 secs Computing kpt #: 113 total cpu time spent up to now is 121.4 secs Computing kpt #: 114 total cpu time spent up to now is 122.4 secs Computing kpt #: 115 total cpu time spent up to now is 123.4 secs Computing kpt #: 116 total cpu time spent up to now is 124.4 secs Computing kpt #: 117 total cpu time spent up to now is 125.4 secs Computing kpt #: 118 total cpu time spent up to now is 126.8 secs Computing kpt #: 119 total cpu time spent up to now is 128.1 secs Computing kpt #: 120 total cpu time spent up to now is 130.0 secs Computing kpt #: 121 total cpu time spent up to now is 131.0 secs Computing kpt #: 122 total cpu time spent up to now is 132.0 secs Computing kpt #: 123 total cpu time spent up to now is 133.4 secs Computing kpt #: 124 total cpu time spent up to now is 134.8 secs Computing kpt #: 125 total cpu time spent up to now is 136.1 secs Computing kpt #: 126 total cpu time spent up to now is 137.5 secs Computing kpt #: 127 total cpu time spent up to now is 138.9 secs Computing kpt #: 128 total cpu time spent up to now is 140.4 secs Computing kpt #: 129 total cpu time spent up to now is 142.1 secs Computing kpt #: 130 total cpu time spent up to now is 143.9 secs Computing kpt #: 131 total cpu time spent up to now is 145.8 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.1 secs Computing kpt #: 133 total cpu time spent up to now is 150.3 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.6 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.9 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 157.2 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.5 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.7 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.0 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.3 secs Computing kpt #: 141 total cpu time spent up to now is 168.6 secs Computing kpt #: 142 total cpu time spent up to now is 170.4 secs Computing kpt #: 143 total cpu time spent up to now is 172.0 secs Computing kpt #: 144 total cpu time spent up to now is 173.0 secs Computing kpt #: 145 total cpu time spent up to now is 174.0 secs Computing kpt #: 146 total cpu time spent up to now is 175.0 secs Computing kpt #: 147 total cpu time spent up to now is 176.0 secs Computing kpt #: 148 total cpu time spent up to now is 177.0 secs Computing kpt #: 149 total cpu time spent up to now is 177.9 secs Computing kpt #: 150 total cpu time spent up to now is 178.9 secs Computing kpt #: 151 total cpu time spent up to now is 179.9 secs Computing kpt #: 152 total cpu time spent up to now is 180.8 secs Computing kpt #: 153 total cpu time spent up to now is 181.8 secs Computing kpt #: 154 total cpu time spent up to now is 182.8 secs Computing kpt #: 155 total cpu time spent up to now is 183.8 secs Computing kpt #: 156 total cpu time spent up to now is 184.7 secs Computing kpt #: 157 total cpu time spent up to now is 185.8 secs Computing kpt #: 158 total cpu time spent up to now is 186.8 secs Computing kpt #: 159 total cpu time spent up to now is 187.7 secs Computing kpt #: 160 total cpu time spent up to now is 188.6 secs Computing kpt #: 161 total cpu time spent up to now is 189.5 secs Computing kpt #: 162 total cpu time spent up to now is 190.5 secs Computing kpt #: 163 total cpu time spent up to now is 191.5 secs Computing kpt #: 164 total cpu time spent up to now is 192.5 secs Computing kpt #: 165 total cpu time spent up to now is 193.3 secs Computing kpt #: 166 total cpu time spent up to now is 194.4 secs Computing kpt #: 167 total cpu time spent up to now is 195.4 secs Computing kpt #: 168 total cpu time spent up to now is 196.4 secs Computing kpt #: 169 total cpu time spent up to now is 197.4 secs Computing kpt #: 170 total cpu time spent up to now is 198.4 secs Computing kpt #: 171 total cpu time spent up to now is 199.4 secs Computing kpt #: 172 total cpu time spent up to now is 200.4 secs Computing kpt #: 173 total cpu time spent up to now is 201.4 secs Computing kpt #: 174 total cpu time spent up to now is 202.4 secs Computing kpt #: 175 total cpu time spent up to now is 203.4 secs Computing kpt #: 176 total cpu time spent up to now is 204.4 secs Computing kpt #: 177 total cpu time spent up to now is 205.4 secs Computing kpt #: 178 total cpu time spent up to now is 206.4 secs Computing kpt #: 179 total cpu time spent up to now is 207.4 secs Computing kpt #: 180 total cpu time spent up to now is 208.5 secs Computing kpt #: 181 total cpu time spent up to now is 209.5 secs Computing kpt #: 182 total cpu time spent up to now is 210.4 secs Computing kpt #: 183 total cpu time spent up to now is 211.5 secs Computing kpt #: 184 total cpu time spent up to now is 212.5 secs Computing kpt #: 185 total cpu time spent up to now is 213.5 secs Computing kpt #: 186 total cpu time spent up to now is 214.5 secs Computing kpt #: 187 total cpu time spent up to now is 215.5 secs Computing kpt #: 188 total cpu time spent up to now is 216.5 secs Computing kpt #: 189 total cpu time spent up to now is 217.5 secs Computing kpt #: 190 total cpu time spent up to now is 218.5 secs Computing kpt #: 191 total cpu time spent up to now is 219.5 secs Computing kpt #: 192 total cpu time spent up to now is 220.5 secs Computing kpt #: 193 total cpu time spent up to now is 221.4 secs Computing kpt #: 194 total cpu time spent up to now is 222.5 secs Computing kpt #: 195 total cpu time spent up to now is 223.4 secs Computing kpt #: 196 total cpu time spent up to now is 224.5 secs Computing kpt #: 197 total cpu time spent up to now is 225.4 secs Computing kpt #: 198 total cpu time spent up to now is 226.4 secs Computing kpt #: 199 total cpu time spent up to now is 227.4 secs Computing kpt #: 200 total cpu time spent up to now is 228.4 secs Computing kpt #: 201 total cpu time spent up to now is 229.4 secs Computing kpt #: 202 total cpu time spent up to now is 230.4 secs Computing kpt #: 203 total cpu time spent up to now is 231.4 secs Computing kpt #: 204 total cpu time spent up to now is 232.4 secs Computing kpt #: 205 total cpu time spent up to now is 233.4 secs Computing kpt #: 206 total cpu time spent up to now is 234.4 secs Computing kpt #: 207 total cpu time spent up to now is 235.4 secs Computing kpt #: 208 total cpu time spent up to now is 236.4 secs Computing kpt #: 209 total cpu time spent up to now is 237.4 secs Computing kpt #: 210 total cpu time spent up to now is 238.4 secs Computing kpt #: 211 total cpu time spent up to now is 239.4 secs Computing kpt #: 212 total cpu time spent up to now is 240.3 secs Computing kpt #: 213 total cpu time spent up to now is 241.3 secs Computing kpt #: 214 total cpu time spent up to now is 242.3 secs Computing kpt #: 215 total cpu time spent up to now is 243.3 secs Computing kpt #: 216 total cpu time spent up to now is 244.4 secs Computing kpt #: 217 total cpu time spent up to now is 245.3 secs Computing kpt #: 218 total cpu time spent up to now is 246.3 secs Computing kpt #: 219 total cpu time spent up to now is 247.3 secs Computing kpt #: 220 total cpu time spent up to now is 248.2 secs Computing kpt #: 221 total cpu time spent up to now is 249.2 secs Computing kpt #: 222 total cpu time spent up to now is 250.2 secs Computing kpt #: 223 total cpu time spent up to now is 251.2 secs Computing kpt #: 224 total cpu time spent up to now is 252.1 secs Computing kpt #: 225 total cpu time spent up to now is 253.2 secs Computing kpt #: 226 total cpu time spent up to now is 254.1 secs Computing kpt #: 227 total cpu time spent up to now is 255.2 secs Computing kpt #: 228 total cpu time spent up to now is 256.1 secs Computing kpt #: 229 total cpu time spent up to now is 257.1 secs Computing kpt #: 230 total cpu time spent up to now is 258.2 secs Computing kpt #: 231 total cpu time spent up to now is 259.2 secs Computing kpt #: 232 total cpu time spent up to now is 260.2 secs Computing kpt #: 233 total cpu time spent up to now is 261.2 secs Computing kpt #: 234 total cpu time spent up to now is 262.2 secs Computing kpt #: 235 total cpu time spent up to now is 263.2 secs Computing kpt #: 236 total cpu time spent up to now is 264.3 secs Computing kpt #: 237 total cpu time spent up to now is 265.8 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.1 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.5 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.8 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.1 secs Computing kpt #: 242 total cpu time spent up to now is 276.1 secs Computing kpt #: 243 total cpu time spent up to now is 277.1 secs Computing kpt #: 244 total cpu time spent up to now is 278.1 secs Computing kpt #: 245 total cpu time spent up to now is 279.0 secs Computing kpt #: 246 total cpu time spent up to now is 280.1 secs Computing kpt #: 247 total cpu time spent up to now is 281.0 secs Computing kpt #: 248 total cpu time spent up to now is 282.1 secs Computing kpt #: 249 total cpu time spent up to now is 283.1 secs Computing kpt #: 250 total cpu time spent up to now is 284.1 secs Computing kpt #: 251 total cpu time spent up to now is 285.1 secs Computing kpt #: 252 total cpu time spent up to now is 286.0 secs Computing kpt #: 253 total cpu time spent up to now is 287.1 secs Computing kpt #: 254 total cpu time spent up to now is 288.0 secs Computing kpt #: 255 total cpu time spent up to now is 289.0 secs Computing kpt #: 256 total cpu time spent up to now is 290.0 secs Computing kpt #: 257 total cpu time spent up to now is 291.0 secs Computing kpt #: 258 total cpu time spent up to now is 292.0 secs Computing kpt #: 259 total cpu time spent up to now is 293.0 secs Computing kpt #: 260 total cpu time spent up to now is 294.0 secs Computing kpt #: 261 total cpu time spent up to now is 295.0 secs Computing kpt #: 262 total cpu time spent up to now is 296.0 secs Computing kpt #: 263 total cpu time spent up to now is 297.0 secs Computing kpt #: 264 total cpu time spent up to now is 298.0 secs Computing kpt #: 265 total cpu time spent up to now is 299.0 secs Computing kpt #: 266 total cpu time spent up to now is 299.9 secs Computing kpt #: 267 total cpu time spent up to now is 300.9 secs Computing kpt #: 268 total cpu time spent up to now is 301.9 secs Computing kpt #: 269 total cpu time spent up to now is 302.8 secs Computing kpt #: 270 total cpu time spent up to now is 303.8 secs Computing kpt #: 271 total cpu time spent up to now is 304.7 secs Computing kpt #: 272 total cpu time spent up to now is 305.5 secs Computing kpt #: 273 total cpu time spent up to now is 306.5 secs Computing kpt #: 274 total cpu time spent up to now is 307.5 secs Computing kpt #: 275 total cpu time spent up to now is 308.5 secs Computing kpt #: 276 total cpu time spent up to now is 309.5 secs Computing kpt #: 277 total cpu time spent up to now is 310.6 secs Computing kpt #: 278 total cpu time spent up to now is 311.6 secs Computing kpt #: 279 total cpu time spent up to now is 312.7 secs Computing kpt #: 280 total cpu time spent up to now is 313.7 secs Computing kpt #: 281 total cpu time spent up to now is 314.7 secs Computing kpt #: 282 total cpu time spent up to now is 315.8 secs Computing kpt #: 283 total cpu time spent up to now is 316.8 secs Computing kpt #: 284 total cpu time spent up to now is 317.8 secs Computing kpt #: 285 total cpu time spent up to now is 318.9 secs Computing kpt #: 286 total cpu time spent up to now is 319.9 secs Computing kpt #: 287 total cpu time spent up to now is 320.8 secs Computing kpt #: 288 total cpu time spent up to now is 321.8 secs Computing kpt #: 289 total cpu time spent up to now is 322.8 secs Computing kpt #: 290 total cpu time spent up to now is 323.8 secs Computing kpt #: 291 total cpu time spent up to now is 324.8 secs Computing kpt #: 292 total cpu time spent up to now is 325.8 secs Computing kpt #: 293 total cpu time spent up to now is 326.8 secs Computing kpt #: 294 total cpu time spent up to now is 327.8 secs Computing kpt #: 295 total cpu time spent up to now is 328.8 secs Computing kpt #: 296 total cpu time spent up to now is 329.8 secs Computing kpt #: 297 total cpu time spent up to now is 330.8 secs Computing kpt #: 298 total cpu time spent up to now is 331.8 secs Computing kpt #: 299 total cpu time spent up to now is 332.8 secs Computing kpt #: 300 total cpu time spent up to now is 333.8 secs Computing kpt #: 301 total cpu time spent up to now is 334.8 secs Computing kpt #: 302 total cpu time spent up to now is 335.8 secs Computing kpt #: 303 total cpu time spent up to now is 336.8 secs ethr = 1.85E-08, avg # of iterations = 30.8 total cpu time spent up to now is 336.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4145 PWs) bands (ev): -18.8604 -18.8604 -16.7708 -16.7708 -16.7705 -16.7705 -15.3757 -15.3757 -15.3143 -15.3143 -15.3077 -15.3077 -10.2198 -10.2198 -10.2196 -10.2196 -5.2985 -5.2985 -5.2504 -5.2504 -5.0367 -5.0367 -5.0163 -5.0163 -1.0170 -1.0170 -0.6596 -0.6596 -0.6549 -0.6549 -0.6361 -0.6361 0.9404 0.9404 0.9648 0.9648 0.9933 0.9933 1.0901 1.0901 1.2885 1.2885 1.2928 1.2928 2.2470 2.2470 2.2576 2.2576 4.7261 4.7261 7.7493 7.7493 7.7976 7.7976 8.4717 8.4717 8.4763 8.4763 10.7302 10.7302 11.5024 11.5024 11.7872 11.7872 k = 0.0135 0.0078-0.0000 ( 4133 PWs) bands (ev): -18.8597 -18.8597 -16.7718 -16.7718 -16.7706 -16.7704 -15.3760 -15.3756 -15.3145 -15.3145 -15.3079 -15.3078 -10.2200 -10.2196 -10.2176 -10.2174 -5.2988 -5.2979 -5.2522 -5.2493 -5.0389 -5.0363 -5.0170 -5.0168 -1.0163 -1.0161 -0.6828 -0.6709 -0.6550 -0.6548 -0.6240 -0.6124 0.9357 0.9375 0.9607 0.9614 0.9912 0.9934 1.0926 1.0943 1.2896 1.2899 1.2931 1.2952 2.2477 2.2477 2.2582 2.2583 4.7270 4.7271 7.7464 7.7465 7.7946 7.7948 8.4733 8.4753 8.4817 8.4819 10.7333 10.7335 11.4992 11.5014 11.7827 11.7829 k = 0.0270 0.0156-0.0000 ( 4117 PWs) bands (ev): -18.8578 -18.8578 -16.7753 -16.7751 -16.7705 -16.7701 -15.3767 -15.3758 -15.3149 -15.3148 -15.3083 -15.3081 -10.2207 -10.2199 -10.2113 -10.2109 -5.2988 -5.2971 -5.2546 -5.2489 -5.0439 -5.0400 -5.0177 -5.0159 -1.0141 -1.0136 -0.7092 -0.6970 -0.6539 -0.6536 -0.5976 -0.5853 0.9215 0.9242 0.9520 0.9559 0.9875 0.9921 1.0995 1.1028 1.2924 1.2936 1.2967 1.3011 2.2494 2.2496 2.2600 2.2603 4.7300 4.7301 7.7377 7.7387 7.7859 7.7870 8.4813 8.4862 8.4953 8.4969 10.7430 10.7433 11.4917 11.4961 11.7674 11.7684 k = 0.0405 0.0234-0.0000 ( 4117 PWs) bands (ev): -18.8546 -18.8546 -16.7810 -16.7807 -16.7701 -16.7696 -15.3777 -15.3763 -15.3155 -15.3153 -15.3090 -15.3085 -10.2216 -10.2204 -10.2007 -10.2002 -5.2985 -5.2960 -5.2574 -5.2492 -5.0540 -5.0503 -5.0160 -5.0113 -1.0105 -1.0097 -0.7356 -0.7234 -0.6521 -0.6515 -0.5704 -0.5579 0.8972 0.9006 0.9439 0.9514 0.9827 0.9895 1.1070 1.1116 1.2960 1.2978 1.3052 1.3110 2.2520 2.2527 2.2632 2.2638 4.7349 4.7351 7.7235 7.7268 7.7717 7.7751 8.4959 8.5048 8.5155 8.5195 10.7590 10.7595 11.4798 11.4863 11.7421 11.7436 k = 0.0541 0.0312-0.0000 ( 4117 PWs) bands (ev): -18.8502 -18.8502 -16.7889 -16.7885 -16.7695 -16.7689 -15.3790 -15.3772 -15.3165 -15.3160 -15.3099 -15.3092 -10.2228 -10.2213 -10.1860 -10.1853 -5.2981 -5.2947 -5.2605 -5.2501 -5.0701 -5.0667 -5.0111 -5.0037 -1.0054 -1.0044 -0.7617 -0.7494 -0.6495 -0.6487 -0.5431 -0.5306 0.8665 0.8704 0.9362 0.9463 0.9767 0.9852 1.1128 1.1187 1.3004 1.3025 1.3183 1.3248 2.2553 2.2567 2.2678 2.2689 4.7419 4.7421 7.7045 7.7117 7.7527 7.7604 8.5163 8.5305 8.5412 8.5489 10.7814 10.7821 11.4634 11.4720 11.7090 11.7111 k = 0.0676 0.0390-0.0000 ( 4113 PWs) bands (ev): -18.8445 -18.8445 -16.7990 -16.7985 -16.7688 -16.7680 -15.3805 -15.3783 -15.3178 -15.3169 -15.3111 -15.3100 -10.2243 -10.2224 -10.1671 -10.1662 -5.2976 -5.2933 -5.2638 -5.2515 -5.0916 -5.0883 -5.0035 -4.9939 -0.9991 -0.9978 -0.7871 -0.7749 -0.6462 -0.6451 -0.5162 -0.5036 0.8324 0.8365 0.9277 0.9398 0.9694 0.9791 1.1166 1.1237 1.3053 1.3076 1.3347 1.3417 2.2591 2.2614 2.2738 2.2757 4.7508 4.7511 7.6814 7.6944 7.7303 7.7439 8.5415 8.5616 8.5719 8.5839 10.8099 10.8108 11.4424 11.4530 11.6701 11.6728 k = 0.0811 0.0468-0.0000 ( 4113 PWs) bands (ev): -18.8375 -18.8375 -16.8113 -16.8107 -16.7679 -16.7670 -15.3822 -15.3797 -15.3194 -15.3179 -15.3126 -15.3109 -10.2260 -10.2238 -10.1442 -10.1432 -5.2972 -5.2918 -5.2670 -5.2533 -5.1180 -5.1145 -4.9936 -4.9822 -0.9916 -0.9901 -0.8119 -0.7998 -0.6420 -0.6407 -0.4898 -0.4771 0.7960 0.8002 0.9181 0.9315 0.9606 0.9707 1.1191 1.1272 1.3106 1.3131 1.3536 1.3607 2.2634 2.2666 2.2812 2.2839 4.7617 4.7621 7.6552 7.6750 7.7061 7.7268 8.5705 8.5961 8.6077 8.6235 10.8444 10.8455 11.4166 11.4289 11.6267 11.6301 k = 0.0946 0.0546-0.0000 ( 4105 PWs) bands (ev): -18.8293 -18.8293 -16.8257 -16.8250 -16.7669 -16.7658 -15.3842 -15.3814 -15.3212 -15.3190 -15.3143 -15.3119 -10.2280 -10.2255 -10.1174 -10.1162 -5.2970 -5.2905 -5.2699 -5.2553 -5.1489 -5.1450 -4.9818 -4.9690 -0.9831 -0.9814 -0.8360 -0.8239 -0.6371 -0.6356 -0.4640 -0.4513 0.7582 0.7625 0.9072 0.9212 0.9500 0.9600 1.1211 1.1302 1.3163 1.3188 1.3739 1.3811 2.2681 2.2720 2.2901 2.2935 4.7747 4.7752 7.6264 7.6524 7.6830 7.7102 8.6024 8.6323 8.6486 8.6669 10.8847 10.8860 11.3858 11.3997 11.5800 11.5841 k = 0.1081 0.0624-0.0000 ( 4115 PWs) bands (ev): -18.8199 -18.8198 -16.8421 -16.8414 -16.7657 -16.7644 -15.3864 -15.3833 -15.3233 -15.3202 -15.3163 -15.3131 -10.2303 -10.2274 -10.0868 -10.0854 -5.2977 -5.2896 -5.2722 -5.2574 -5.1838 -5.1792 -4.9683 -4.9543 -0.9739 -0.9719 -0.8592 -0.8472 -0.6314 -0.6297 -0.4390 -0.4262 0.7194 0.7239 0.8949 0.9091 0.9376 0.9469 1.1235 1.1334 1.3223 1.3249 1.3948 1.4018 2.2730 2.2777 2.3001 2.3041 4.7897 4.7903 7.5957 7.6254 7.6635 7.6947 8.6364 8.6695 8.6935 8.7133 10.9304 10.9319 11.3499 11.3652 11.5308 11.5356 k = 0.1216 0.0702-0.0000 ( 4123 PWs) bands (ev): -18.8092 -18.8092 -16.8606 -16.8598 -16.7643 -16.7629 -15.3887 -15.3853 -15.3256 -15.3215 -15.3185 -15.3143 -10.2327 -10.2296 -10.0525 -10.0510 -5.3003 -5.2897 -5.2739 -5.2600 -5.2215 -5.2157 -4.9532 -4.9384 -0.9641 -0.9619 -0.8815 -0.8696 -0.6249 -0.6230 -0.4149 -0.4021 0.6802 0.6847 0.8810 0.8951 0.9235 0.9316 1.1268 1.1374 1.3287 1.3312 1.4156 1.4225 2.2783 2.2834 2.3111 2.3157 4.8068 4.8075 7.5637 7.5948 7.6482 7.6810 8.6720 8.7077 8.7415 8.7621 10.9812 10.9829 11.3091 11.3254 11.4800 11.4855 k = 0.1351 0.0780-0.0000 ( 4133 PWs) bands (ev): -18.7973 -18.7973 -16.8810 -16.8801 -16.7629 -16.7613 -15.3911 -15.3876 -15.3281 -15.3229 -15.3208 -15.3157 -10.2354 -10.2320 -10.0147 -10.0131 -5.3080 -5.2933 -5.2782 -5.2680 -5.2532 -5.2490 -4.9367 -4.9213 -0.9541 -0.9516 -0.9028 -0.8909 -0.6177 -0.6156 -0.3919 -0.3790 0.6408 0.6453 0.8656 0.8792 0.9078 0.9144 1.1313 1.1424 1.3353 1.3378 1.4359 1.4427 2.2837 2.2893 2.3228 2.3278 4.8260 4.8269 7.5308 7.5620 7.6363 7.6695 8.7086 8.7464 8.7918 8.8127 11.0364 11.0383 11.2636 11.2807 11.4282 11.4345 k = 0.1486 0.0858-0.0000 ( 4129 PWs) bands (ev): -18.7843 -18.7843 -16.9032 -16.9023 -16.7612 -16.7596 -15.3936 -15.3900 -15.3307 -15.3244 -15.3232 -15.3171 -10.2382 -10.2345 -9.9735 -9.9718 -5.3317 -5.3222 -5.2882 -5.2805 -5.2653 -5.2571 -4.9190 -4.9031 -0.9444 -0.9418 -0.9222 -0.9109 -0.6098 -0.6075 -0.3700 -0.3571 0.6015 0.6060 0.8485 0.8615 0.8908 0.8957 1.1373 1.1486 1.3423 1.3447 1.4555 1.4621 2.2891 2.2951 2.3350 2.3405 4.8475 4.8486 7.4974 7.5281 7.6276 7.6606 8.7457 8.7854 8.8438 8.8647 11.0938 11.0961 11.2153 11.2325 11.3763 11.3834 k = 0.1622 0.0936-0.0000 ( 4141 PWs) bands (ev): -18.7701 -18.7701 -16.9272 -16.9263 -16.7595 -16.7577 -15.3962 -15.3924 -15.3334 -15.3265 -15.3252 -15.3187 -10.2412 -10.2373 -9.9293 -9.9274 -5.3740 -5.3699 -5.2936 -5.2855 -5.2657 -5.2577 -4.9001 -4.8840 -0.9458 -0.9381 -0.9287 -0.9247 -0.6012 -0.5987 -0.3493 -0.3364 0.5625 0.5670 0.8297 0.8420 0.8725 0.8759 1.1446 1.1561 1.3496 1.3519 1.4743 1.4806 2.2946 2.3008 2.3475 2.3533 4.8713 4.8725 7.4637 7.4937 7.6219 7.6543 8.7830 8.8243 8.8970 8.9177 11.1301 11.1397 11.1859 11.1969 11.3257 11.3337 k = 0.1757 0.1014-0.0000 ( 4147 PWs) bands (ev): -18.7548 -18.7547 -16.9529 -16.9519 -16.7576 -16.7558 -15.3988 -15.3950 -15.3363 -15.3293 -15.3268 -15.3203 -10.2443 -10.2403 -9.8820 -9.8800 -5.4246 -5.4225 -5.2977 -5.2877 -5.2642 -5.2569 -4.8803 -4.8640 -0.9629 -0.9519 -0.9210 -0.9179 -0.5919 -0.5893 -0.3300 -0.3170 0.5242 0.5286 0.8093 0.8209 0.8529 0.8560 1.1532 1.1648 1.3571 1.3593 1.4921 1.4981 2.2998 2.3063 2.3600 2.3661 4.8974 4.8988 7.4300 7.4591 7.6192 7.6509 8.8203 8.8631 8.9509 8.9713 11.0867 11.1036 11.2251 11.2299 11.2857 11.2952 k = 0.1892 0.1092-0.0000 ( 4143 PWs) bands (ev): -18.7383 -18.7383 -16.9801 -16.9791 -16.7557 -16.7538 -15.4013 -15.3976 -15.3392 -15.3322 -15.3283 -15.3219 -10.2475 -10.2433 -9.8320 -9.8299 -5.4796 -5.4783 -5.3010 -5.2896 -5.2621 -5.2553 -4.8596 -4.8433 -0.9800 -0.9688 -0.9117 -0.9083 -0.5820 -0.5793 -0.3120 -0.2990 0.4867 0.4911 0.7873 0.7984 0.8321 0.8360 1.1631 1.1747 1.3650 1.3671 1.5089 1.5146 2.3049 2.3116 2.3723 2.3786 4.9260 4.9276 7.3965 7.4246 7.6196 7.6505 8.8573 8.9014 9.0053 9.0251 11.0250 11.0425 11.2097 11.2140 11.3221 11.3272 k = 0.2027 0.1170-0.0000 ( 4143 PWs) bands (ev): -18.7208 -18.7208 -17.0088 -17.0078 -16.7537 -16.7517 -15.4039 -15.4001 -15.3423 -15.3353 -15.3298 -15.3236 -10.2508 -10.2465 -9.7794 -9.7772 -5.5378 -5.5367 -5.3039 -5.2915 -5.2598 -5.2533 -4.8382 -4.8220 -0.9963 -0.9851 -0.9027 -0.8990 -0.5716 -0.5688 -0.2954 -0.2825 0.4503 0.4547 0.7639 0.7745 0.8106 0.8158 1.1740 1.1855 1.3731 1.3751 1.5247 1.5302 2.3097 2.3164 2.3843 2.3907 4.9571 4.9588 7.3631 7.3902 7.6229 7.6528 8.8938 8.9390 9.0598 9.0789 10.9585 10.9763 11.1621 11.1678 11.3908 11.3959 k = 0.2162 0.1248-0.0000 ( 4143 PWs) bands (ev): -18.7023 -18.7022 -17.0388 -17.0378 -16.7516 -16.7495 -15.4064 -15.4026 -15.3453 -15.3385 -15.3313 -15.3253 -10.2542 -10.2498 -9.7245 -9.7222 -5.5985 -5.5973 -5.3064 -5.2933 -5.2574 -5.2510 -4.8161 -4.8001 -1.0115 -1.0004 -0.8943 -0.8904 -0.5608 -0.5579 -0.2801 -0.2673 0.4154 0.4198 0.7393 0.7496 0.7888 0.7952 1.1859 1.1972 1.3814 1.3832 1.5398 1.5450 2.3141 2.3209 2.3957 2.4022 4.9907 4.9927 7.3300 7.3561 7.6290 7.6579 8.9295 8.9759 9.1140 9.1324 10.8892 10.9071 11.1128 11.1190 11.4358 11.4432 k = 0.2297 0.1326-0.0000 ( 4141 PWs) bands (ev): -18.6827 -18.6827 -17.0701 -17.0691 -16.7494 -16.7473 -15.4088 -15.4051 -15.3484 -15.3417 -15.3328 -15.3271 -10.2576 -10.2532 -9.6675 -9.6651 -5.6613 -5.6600 -5.3087 -5.2952 -5.2550 -5.2486 -4.7936 -4.7778 -1.0257 -1.0147 -0.8869 -0.8827 -0.5496 -0.5466 -0.2663 -0.2535 0.3821 0.3864 0.7139 0.7238 0.7668 0.7740 1.1985 1.2097 1.3897 1.3915 1.5541 1.5590 2.3180 2.3248 2.4064 2.4130 5.0270 5.0291 7.2973 7.3223 7.6378 7.6656 8.9645 9.0117 9.1676 9.1852 10.8178 10.8358 11.0638 11.0703 11.4242 11.4299 k = 0.2432 0.1404-0.0000 ( 4142 PWs) bands (ev): -18.6622 -18.6622 -17.1023 -17.1014 -16.7472 -16.7451 -15.4111 -15.4075 -15.3515 -15.3450 -15.3342 -15.3288 -10.2611 -10.2566 -9.6087 -9.6063 -5.7257 -5.7243 -5.3106 -5.2970 -5.2525 -5.2461 -4.7707 -4.7553 -1.0387 -1.0279 -0.8805 -0.8761 -0.5381 -0.5351 -0.2539 -0.2412 0.3508 0.3551 0.6880 0.6973 0.7447 0.7525 1.2118 1.2227 1.3981 1.3998 1.5678 1.5724 2.3214 2.3282 2.4162 2.4229 5.0658 5.0681 7.2649 7.2888 7.6490 7.6758 8.9985 9.0465 9.2203 9.2371 10.7450 10.7632 11.0156 11.0224 11.4054 11.4108 k = 0.2568 0.1482-0.0000 ( 4146 PWs) bands (ev): -18.6409 -18.6408 -17.1355 -17.1346 -16.7450 -16.7429 -15.4132 -15.4098 -15.3546 -15.3483 -15.3356 -15.3305 -10.2645 -10.2601 -9.5483 -9.5458 -5.7916 -5.7900 -5.3124 -5.2987 -5.2501 -5.2437 -4.7476 -4.7326 -1.0507 -1.0400 -0.8753 -0.8706 -0.5264 -0.5234 -0.2429 -0.2303 0.3218 0.3261 0.6616 0.6704 0.7224 0.7305 1.2254 1.2361 1.4063 1.4080 1.5811 1.5853 2.3242 2.3309 2.4252 2.4318 5.1071 5.1096 7.2328 7.2555 7.6625 7.6881 9.0315 9.0801 9.2719 9.2877 10.6714 10.6899 10.9685 10.9755 11.3869 11.3924 k = 0.2703 0.1560-0.0000 ( 4132 PWs) bands (ev): -18.6187 -18.6186 -17.1695 -17.1686 -16.7427 -16.7406 -15.4153 -15.4120 -15.3577 -15.3516 -15.3370 -15.3322 -10.2679 -10.2635 -9.4866 -9.4841 -5.8584 -5.8568 -5.3138 -5.3003 -5.2478 -5.2413 -4.7245 -4.7099 -1.0615 -1.0510 -0.8714 -0.8664 -0.5147 -0.5116 -0.2333 -0.2210 0.2955 0.2996 0.6350 0.6432 0.6999 0.7082 1.2394 1.2497 1.4143 1.4160 1.5942 1.5980 2.3263 2.3329 2.4332 2.4397 5.1510 5.1536 7.2009 7.2225 7.6780 7.7024 9.0633 9.1125 9.3218 9.3367 10.5977 10.6165 10.9227 10.9300 11.3701 11.3758 k = 0.2838 0.1638-0.0000 ( 4144 PWs) bands (ev): -18.5957 -18.5956 -17.2041 -17.2032 -16.7405 -16.7384 -15.4172 -15.4141 -15.3608 -15.3548 -15.3384 -15.3339 -10.2712 -10.2669 -9.4240 -9.4215 -5.9260 -5.9242 -5.3151 -5.3017 -5.2456 -5.2391 -4.7014 -4.6874 -1.0712 -1.0609 -0.8688 -0.8636 -0.5029 -0.4998 -0.2253 -0.2131 0.2720 0.2761 0.6085 0.6161 0.6774 0.6857 1.2534 1.2633 1.4219 1.4236 1.6072 1.6106 2.3277 2.3342 2.4402 2.4465 5.1972 5.2000 7.1692 7.1895 7.6952 7.7183 9.0940 9.1434 9.3698 9.3838 10.5242 10.5434 10.8784 10.8860 11.3553 11.3611 k = 0.2973 0.1716-0.0000 ( 4144 PWs) bands (ev): -18.5721 -18.5720 -17.2391 -17.2382 -16.7383 -16.7363 -15.4190 -15.4160 -15.3637 -15.3580 -15.3397 -15.3355 -10.2745 -10.2702 -9.3607 -9.3582 -5.9939 -5.9921 -5.3161 -5.3031 -5.2434 -5.2370 -4.6786 -4.6651 -1.0797 -1.0696 -0.8676 -0.8621 -0.4913 -0.4881 -0.2188 -0.2069 0.2517 0.2557 0.5821 0.5891 0.6547 0.6630 1.2673 1.2769 1.4290 1.4308 1.6202 1.6232 2.3284 2.3347 2.4463 2.4524 5.2456 5.2485 7.1375 7.1567 7.7137 7.7357 9.1234 9.1730 9.4156 9.4286 10.4517 10.4712 10.8358 10.8437 11.3429 11.3489 k = 0.3108 0.1794-0.0000 ( 4144 PWs) bands (ev): -18.5479 -18.5478 -17.2744 -17.2735 -16.7362 -16.7342 -15.4206 -15.4178 -15.3666 -15.3612 -15.3410 -15.3371 -10.2776 -10.2735 -9.2971 -9.2946 -6.0618 -6.0599 -5.3169 -5.3043 -5.2414 -5.2351 -4.6562 -4.6434 -1.0872 -1.0774 -0.8676 -0.8619 -0.4798 -0.4765 -0.2138 -0.2022 0.2349 0.2388 0.5561 0.5624 0.6320 0.6401 1.2810 1.2902 1.4354 1.4374 1.6334 1.6360 2.3282 2.3343 2.4515 2.4573 5.2959 5.2990 7.1058 7.1238 7.7334 7.7540 9.1516 9.2011 9.4588 9.4707 10.3804 10.4004 10.7952 10.8034 11.3333 11.3392 k = 0.3243 0.1872-0.0000 ( 4136 PWs) bands (ev): -18.5232 -18.5231 -17.3097 -17.3089 -16.7340 -16.7321 -15.4221 -15.4195 -15.3694 -15.3642 -15.3422 -15.3387 -10.2806 -10.2767 -9.2337 -9.2311 -6.1293 -6.1274 -5.3175 -5.3054 -5.2395 -5.2333 -4.6343 -4.6222 -1.0936 -1.0840 -0.8690 -0.8631 -0.4687 -0.4652 -0.2103 -0.1990 0.2217 0.2254 0.5307 0.5362 0.6093 0.6173 1.2943 1.3031 1.4412 1.4432 1.6468 1.6489 2.3272 2.3332 2.4560 2.4614 5.3480 5.3511 7.0741 7.0908 7.7538 7.7732 9.1785 9.2277 9.4990 9.5100 10.3111 10.3315 10.7568 10.7652 11.3266 11.3324 k = 0.3378 0.1951-0.0000 ( 4132 PWs) bands (ev): -18.4983 -18.4982 -17.3449 -17.3441 -16.7320 -16.7302 -15.4234 -15.4210 -15.3720 -15.3672 -15.3434 -15.3401 -10.2835 -10.2797 -9.1707 -9.1682 -6.1959 -6.1939 -5.3179 -5.3064 -5.2378 -5.2318 -4.6132 -4.6018 -1.0989 -1.0897 -0.8715 -0.8655 -0.4580 -0.4543 -0.2082 -0.1972 0.2121 0.2157 0.5059 0.5107 0.5868 0.5945 1.3072 1.3155 1.4462 1.4484 1.6605 1.6621 2.3254 2.3311 2.4597 2.4647 5.4013 5.4045 7.0422 7.0577 7.7747 7.7927 9.2041 9.2528 9.5360 9.5460 10.2441 10.2649 10.7208 10.7293 11.3230 11.3286 k = 0.3514 0.2029-0.0000 ( 4136 PWs) bands (ev): -18.4732 -18.4731 -17.3796 -17.3789 -16.7301 -16.7283 -15.4246 -15.4224 -15.3745 -15.3700 -15.3444 -15.3415 -10.2862 -10.2826 -9.1088 -9.1064 -6.2611 -6.2592 -5.3182 -5.3073 -5.2362 -5.2304 -4.5929 -4.5823 -1.1033 -1.0944 -0.8751 -0.8690 -0.4479 -0.4440 -0.2073 -0.1965 0.2060 0.2095 0.4820 0.4861 0.5644 0.5719 1.3194 1.3274 1.4504 1.4527 1.6743 1.6755 2.3228 2.3283 2.4627 2.4674 5.4555 5.4588 7.0101 7.0243 7.7956 7.8122 9.2285 9.2763 9.5694 9.5786 10.1799 10.2010 10.6873 10.6959 11.3227 11.3279 k = 0.3649 0.2107-0.0000 ( 4144 PWs) bands (ev): -18.4482 -18.4480 -17.4137 -17.4130 -16.7282 -16.7266 -15.4257 -15.4236 -15.3768 -15.3727 -15.3454 -15.3428 -10.2887 -10.2854 -9.0485 -9.0461 -6.3245 -6.3226 -5.3183 -5.3082 -5.2347 -5.2292 -4.5738 -4.5640 -1.1067 -1.0981 -0.8796 -0.8735 -0.4384 -0.4343 -0.2072 -0.1969 0.2032 0.2065 0.4591 0.4625 0.5423 0.5495 1.3311 1.3385 1.4538 1.4562 1.6881 1.6889 2.3195 2.3247 2.4653 2.4695 5.5102 5.5135 6.9779 6.9909 7.8163 7.8315 9.2516 9.2983 9.5992 9.6076 10.1189 10.1402 10.6565 10.6650 11.3255 11.3303 k = 0.3784 0.2185-0.0000 ( 4144 PWs) bands (ev): -18.4234 -18.4233 -17.4468 -17.4462 -16.7265 -16.7250 -15.4266 -15.4247 -15.3789 -15.3752 -15.3463 -15.3440 -10.2910 -10.2880 -8.9903 -8.9880 -6.3854 -6.3835 -5.3182 -5.3089 -5.2333 -5.2282 -4.5558 -4.5468 -1.1091 -1.1011 -0.8847 -0.8787 -0.4298 -0.4255 -0.2077 -0.1977 0.2034 0.2066 0.4376 0.4403 0.5206 0.5274 1.3420 1.3490 1.4565 1.4589 1.7018 1.7023 2.3155 2.3205 2.4674 2.4712 5.5647 5.5679 6.9457 6.9574 7.8363 7.8501 9.2736 9.3187 9.6252 9.6328 10.0618 10.0832 10.6287 10.6370 11.3315 11.3357 k = 0.3919 0.2263-0.0000 ( 4136 PWs) bands (ev): -18.3993 -18.3992 -17.4786 -17.4780 -16.7249 -16.7235 -15.4274 -15.4257 -15.3809 -15.3775 -15.3472 -15.3451 -10.2930 -10.2903 -8.9349 -8.9327 -6.4431 -6.4413 -5.3180 -5.3096 -5.2321 -5.2274 -4.5392 -4.5311 -1.1108 -1.1032 -0.8903 -0.8845 -0.4221 -0.4177 -0.2084 -0.1989 0.2062 0.2093 0.4177 0.4198 0.4992 0.5057 1.3522 1.3586 1.4584 1.4609 1.7151 1.7154 2.3111 2.3157 2.4692 2.4725 5.6183 5.6215 6.9136 6.9241 7.8555 7.8677 9.2943 9.3374 9.6475 9.6543 10.0089 10.0301 10.6038 10.6117 11.3402 11.3439 k = 0.4054 0.2341-0.0000 ( 4148 PWs) bands (ev): -18.3761 -18.3760 -17.5087 -17.5081 -16.7234 -16.7222 -15.4281 -15.4266 -15.3826 -15.3796 -15.3479 -15.3461 -10.2949 -10.2925 -8.8830 -8.8811 -6.4969 -6.4952 -5.3178 -5.3103 -5.2310 -5.2267 -4.5241 -4.5169 -1.1117 -1.1048 -0.8961 -0.8906 -0.4154 -0.4110 -0.2089 -0.1999 0.2110 0.2140 0.3997 0.4012 0.4784 0.4845 1.3615 1.3674 1.4598 1.4622 1.7278 1.7279 2.3064 2.3106 2.4706 2.4735 5.6702 5.6732 6.8821 6.8913 7.8733 7.8841 9.3139 9.3544 9.6660 9.6722 9.9607 9.9814 10.5820 10.5894 11.3513 11.3545 k = 0.4189 0.2419-0.0000 ( 4140 PWs) bands (ev): -18.3543 -18.3542 -17.5365 -17.5360 -16.7221 -16.7211 -15.4286 -15.4274 -15.3841 -15.3815 -15.3485 -15.3470 -10.2965 -10.2944 -8.8355 -8.8338 -6.5461 -6.5446 -5.3174 -5.3109 -5.2300 -5.2263 -4.5106 -4.5044 -1.1120 -1.1057 -0.9018 -0.8967 -0.4098 -0.4056 -0.2090 -0.2008 0.2173 0.2203 0.3840 0.3849 0.4583 0.4640 1.3700 1.3753 1.4606 1.4630 1.7395 1.7397 2.3016 2.3054 2.4719 2.4743 5.7195 5.7223 6.8517 6.8596 7.8896 7.8989 9.3322 9.3696 9.6810 9.6866 9.9178 9.9375 10.5633 10.5700 11.3642 11.3667 k = 0.4324 0.2497-0.0000 ( 4140 PWs) bands (ev): -18.3344 -18.3343 -17.5616 -17.5612 -16.7210 -16.7201 -15.4291 -15.4280 -15.3853 -15.3831 -15.3490 -15.3477 -10.2978 -10.2961 -8.7932 -8.7917 -6.5897 -6.5884 -5.3170 -5.3115 -5.2291 -5.2259 -4.4989 -4.4937 -1.1118 -1.1063 -0.9071 -0.9026 -0.4052 -0.4014 -0.2086 -0.2014 0.2245 0.2275 0.3707 0.3717 0.4389 0.4442 1.3774 1.3821 1.4610 1.4632 1.7501 1.7504 2.2971 2.3004 2.4729 2.4749 5.7650 5.7675 6.8230 6.8297 7.9040 7.9118 9.3491 9.3826 9.6928 9.6978 9.8807 9.8987 10.5477 10.5536 11.3780 11.3800 k = 0.4459 0.2575-0.0000 ( 4140 PWs) bands (ev): -18.3169 -18.3168 -17.5834 -17.5831 -16.7200 -16.7193 -15.4294 -15.4286 -15.3863 -15.3845 -15.3494 -15.3484 -10.2989 -10.2975 -8.7570 -8.7557 -6.6270 -6.6259 -5.3166 -5.3121 -5.2283 -5.2257 -4.4891 -4.4849 -1.1112 -1.1067 -0.9118 -0.9080 -0.4017 -0.3983 -0.2078 -0.2017 0.2320 0.2348 0.3607 0.3620 0.4206 0.4255 1.3839 1.3878 1.4611 1.4630 1.7593 1.7596 2.2929 2.2956 2.4738 2.4754 5.8053 5.8075 6.7971 6.8025 7.9163 7.9226 9.3646 9.3932 9.7016 9.7060 9.8500 9.8657 10.5352 10.5401 11.3917 11.3932 k = 0.4595 0.2653-0.0000 ( 4130 PWs) bands (ev): -18.3023 -18.3023 -17.6013 -17.6010 -16.7193 -16.7187 -15.4297 -15.4290 -15.3870 -15.3857 -15.3497 -15.3489 -10.2997 -10.2986 -8.7276 -8.7266 -6.6570 -6.6561 -5.3160 -5.3127 -5.2276 -5.2256 -4.4812 -4.4780 -1.1104 -1.1069 -0.9157 -0.9127 -0.3990 -0.3963 -0.2066 -0.2018 0.2389 0.2414 0.3545 0.3564 0.4034 0.4079 1.3892 1.3923 1.4610 1.4627 1.7668 1.7671 2.2895 2.2916 2.4745 2.4757 5.8392 5.8409 6.7752 6.7792 7.9263 7.9310 9.3783 9.4011 9.7078 9.7115 9.8262 9.8388 10.5257 10.5295 11.4042 11.4052 k = 0.4730 0.2731-0.0000 ( 4134 PWs) bands (ev): -18.2914 -18.2914 -17.6146 -17.6144 -16.7187 -16.7183 -15.4298 -15.4294 -15.3875 -15.3866 -15.3499 -15.3494 -10.3002 -10.2995 -8.7060 -8.7053 -6.6790 -6.6784 -5.3155 -5.3132 -5.2270 -5.2257 -4.4754 -4.4733 -1.1095 -1.1071 -0.9185 -0.9164 -0.3970 -0.3951 -0.2053 -0.2020 0.2446 0.2464 0.3527 0.3551 0.3879 0.3919 1.3933 1.3954 1.4610 1.4621 1.7724 1.7726 2.2869 2.2884 2.4750 2.4758 5.8649 5.8661 6.7584 6.7611 7.9339 7.9370 9.3898 9.4058 9.7119 9.7147 9.8098 9.8186 10.5192 10.5218 11.4143 11.4149 k = 0.4865 0.2809-0.0000 ( 4136 PWs) bands (ev): -18.2846 -18.2846 -17.6228 -17.6227 -16.7183 -16.7181 -15.4298 -15.4296 -15.3877 -15.3872 -15.3499 -15.3497 -10.3005 -10.3001 -8.6927 -8.6923 -6.6925 -6.6922 -5.3149 -5.3138 -5.2265 -5.2259 -4.4716 -4.4706 -1.1087 -1.1075 -0.9200 -0.9189 -0.3957 -0.3947 -0.2041 -0.2024 0.2483 0.2494 0.3556 0.3583 0.3746 0.3781 1.3960 1.3971 1.4610 1.4616 1.7759 1.7760 2.2855 2.2862 2.4754 2.4758 5.8812 5.8818 6.7480 6.7494 7.9387 7.9403 9.3988 9.4070 9.7144 9.7159 9.8009 9.8054 10.5156 10.5169 11.4209 11.4212 k = 0.5000 0.2887-0.0000 ( 4132 PWs) bands (ev): -18.2823 -18.2823 -17.6255 -17.6255 -16.7181 -16.7181 -15.4298 -15.4298 -15.3876 -15.3876 -15.3499 -15.3499 -10.3004 -10.3004 -8.6881 -8.6881 -6.6969 -6.6969 -5.3144 -5.3144 -5.2262 -5.2262 -4.4700 -4.4700 -1.1080 -1.1080 -0.9201 -0.9201 -0.3949 -0.3949 -0.2031 -0.2031 0.2500 0.2500 0.3616 0.3616 0.3682 0.3682 1.3973 1.3973 1.4612 1.4612 1.7771 1.7771 2.2852 2.2852 2.4757 2.4757 5.8869 5.8869 6.7449 6.7449 7.9409 7.9409 9.4046 9.4046 9.7157 9.7157 9.7995 9.7995 10.5148 10.5148 11.4233 11.4233 k = 0.5000 0.2887-0.0000 ( 4132 PWs) bands (ev): -18.2823 -18.2823 -17.6255 -17.6255 -16.7181 -16.7181 -15.4298 -15.4298 -15.3876 -15.3876 -15.3499 -15.3499 -10.3004 -10.3004 -8.6881 -8.6881 -6.6969 -6.6969 -5.3144 -5.3144 -5.2262 -5.2262 -4.4700 -4.4700 -1.1080 -1.1080 -0.9201 -0.9201 -0.3949 -0.3949 -0.2031 -0.2031 0.2500 0.2500 0.3616 0.3616 0.3682 0.3682 1.3973 1.3973 1.4612 1.4612 1.7771 1.7771 2.2852 2.2852 2.4757 2.4757 5.8869 5.8869 6.7449 6.7449 7.9409 7.9409 9.4046 9.4046 9.7157 9.7157 9.7995 9.7995 10.5148 10.5148 11.4233 11.4233 k = 0.4924 0.3018-0.0000 ( 4130 PWs) bands (ev): -18.2816 -18.2816 -17.6263 -17.6262 -16.7183 -16.7181 -15.4298 -15.4297 -15.3876 -15.3875 -15.3500 -15.3499 -10.3009 -10.3006 -8.6861 -8.6854 -6.7005 -6.6998 -5.3135 -5.3130 -5.2263 -5.2257 -4.4699 -4.4694 -1.1076 -1.1073 -0.9201 -0.9200 -0.3954 -0.3950 -0.2029 -0.2029 0.2407 0.2427 0.3652 0.3661 0.3702 0.3727 1.3957 1.3958 1.4607 1.4608 1.7786 1.7787 2.2840 2.2842 2.4769 2.4774 5.8886 5.8894 6.7452 6.7461 7.9384 7.9386 9.4048 9.4051 9.7143 9.7149 9.7969 9.7977 10.5178 10.5179 11.4244 11.4245 k = 0.4848 0.3149-0.0000 ( 4136 PWs) bands (ev): -18.2796 -18.2795 -17.6287 -17.6285 -16.7186 -16.7183 -15.4298 -15.4297 -15.3876 -15.3874 -15.3502 -15.3500 -10.3020 -10.3012 -8.6795 -8.6782 -6.7105 -6.7092 -5.3104 -5.3093 -5.2262 -5.2250 -4.4690 -4.4680 -1.1061 -1.1056 -0.9200 -0.9197 -0.3965 -0.3958 -0.2025 -0.2024 0.2204 0.2234 0.3613 0.3619 0.3910 0.3940 1.3911 1.3912 1.4591 1.4594 1.7831 1.7833 2.2807 2.2810 2.4808 2.4817 5.8944 5.8960 6.7470 6.7488 7.9310 7.9314 9.4058 9.4063 9.7104 9.7118 9.7898 9.7916 10.5268 10.5270 11.4276 11.4278 k = 0.4773 0.3280-0.0000 ( 4144 PWs) bands (ev): -18.2762 -18.2761 -17.6325 -17.6322 -16.7191 -16.7186 -15.4298 -15.4296 -15.3875 -15.3872 -15.3506 -15.3502 -10.3036 -10.3025 -8.6683 -8.6664 -6.7267 -6.7248 -5.3053 -5.3037 -5.2258 -5.2239 -4.4673 -4.4658 -1.1035 -1.1027 -0.9197 -0.9192 -0.3982 -0.3971 -0.2017 -0.2015 0.1957 0.1991 0.3539 0.3547 0.4181 0.4213 1.3837 1.3839 1.4566 1.4571 1.7904 1.7906 2.2756 2.2760 2.4871 2.4884 5.9043 5.9067 6.7502 6.7529 7.9188 7.9195 9.4074 9.4083 9.7042 9.7066 9.7788 9.7818 10.5415 10.5417 11.4330 11.4333 k = 0.4697 0.3412-0.0000 ( 4148 PWs) bands (ev): -18.2714 -18.2713 -17.6379 -17.6375 -16.7198 -16.7192 -15.4298 -15.4295 -15.3874 -15.3870 -15.3510 -15.3506 -10.3056 -10.3042 -8.6527 -8.6502 -6.7490 -6.7464 -5.2983 -5.2962 -5.2251 -5.2226 -4.4649 -4.4629 -1.0999 -1.0989 -0.9193 -0.9187 -0.4005 -0.3990 -0.2005 -0.2003 0.1695 0.1732 0.3437 0.3446 0.4479 0.4512 1.3740 1.3742 1.4531 1.4538 1.8001 1.8004 2.2691 2.2696 2.4953 2.4970 5.9183 5.9215 6.7548 6.7584 7.9021 7.9030 9.4098 9.4108 9.6955 9.6994 9.7642 9.7690 10.5614 10.5615 11.4402 11.4406 k = 0.4621 0.3543-0.0000 ( 4148 PWs) bands (ev): -18.2653 -18.2651 -17.6448 -17.6443 -16.7206 -16.7198 -15.4297 -15.4293 -15.3872 -15.3868 -15.3516 -15.3511 -10.3081 -10.3065 -8.6326 -8.6295 -6.7768 -6.7738 -5.2900 -5.2874 -5.2241 -5.2211 -4.4617 -4.4593 -1.0954 -1.0941 -0.9189 -0.9180 -0.4032 -0.4015 -0.1989 -0.1987 0.1433 0.1471 0.3309 0.3320 0.4788 0.4821 1.3624 1.3626 1.4488 1.4496 1.8119 1.8122 2.2616 2.2621 2.5049 2.5069 5.9363 5.9402 6.7607 6.7653 7.8809 7.8820 9.4127 9.4140 9.6845 9.6903 9.7468 9.7539 10.5858 10.5859 11.4491 11.4495 k = 0.4545 0.3674-0.0000 ( 4148 PWs) bands (ev): -18.2578 -18.2576 -17.6532 -17.6526 -16.7215 -16.7206 -15.4297 -15.4292 -15.3870 -15.3865 -15.3523 -15.3517 -10.3110 -10.3091 -8.6082 -8.6046 -6.8099 -6.8063 -5.2806 -5.2775 -5.2229 -5.2192 -4.4577 -4.4550 -1.0899 -1.0883 -0.9184 -0.9174 -0.4065 -0.4044 -0.1969 -0.1967 0.1177 0.1215 0.3158 0.3169 0.5102 0.5134 1.3493 1.3496 1.4435 1.4445 1.8252 1.8256 2.2534 2.2539 2.5155 2.5176 5.9581 5.9628 6.7679 6.7733 7.8554 7.8569 9.4162 9.4177 9.6712 9.6795 9.7273 9.7374 10.6141 10.6145 11.4592 11.4597 k = 0.4470 0.3805-0.0000 ( 4156 PWs) bands (ev): -18.2489 -18.2487 -17.6631 -17.6624 -16.7225 -16.7215 -15.4296 -15.4291 -15.3867 -15.3861 -15.3531 -15.3524 -10.3142 -10.3120 -8.5797 -8.5756 -6.8478 -6.8438 -5.2705 -5.2670 -5.2213 -5.2171 -4.4531 -4.4500 -1.0836 -1.0817 -0.9179 -0.9167 -0.4102 -0.4079 -0.1944 -0.1941 0.0931 0.0969 0.2984 0.2996 0.5415 0.5447 1.3353 1.3356 1.4374 1.4385 1.8398 1.8403 2.2449 2.2453 2.5265 2.5288 5.9837 5.9891 6.7760 6.7824 7.8260 7.8278 9.4201 9.4218 9.6557 9.6670 9.7065 9.7202 10.6458 10.6466 11.4703 11.4708 k = 0.4394 0.3936-0.0000 ( 4148 PWs) bands (ev): -18.2387 -18.2385 -17.6744 -17.6737 -16.7235 -16.7224 -15.4295 -15.4289 -15.3864 -15.3857 -15.3540 -15.3533 -10.3175 -10.3152 -8.5471 -8.5426 -6.8900 -6.8856 -5.2603 -5.2563 -5.2195 -5.2147 -4.4477 -4.4444 -1.0765 -1.0744 -0.9176 -0.9162 -0.4143 -0.4117 -0.1913 -0.1910 0.0697 0.0734 0.2791 0.2803 0.5724 0.5755 1.3208 1.3211 1.4305 1.4317 1.8554 1.8559 2.2361 2.2364 2.5378 2.5402 6.0129 6.0191 6.7849 6.7923 7.7930 7.7951 9.4244 9.4262 9.6385 9.6527 9.6855 9.7027 10.6805 10.6817 11.4819 11.4824 k = 0.4318 0.4068-0.0000 ( 4144 PWs) bands (ev): -18.2272 -18.2270 -17.6872 -17.6864 -16.7245 -16.7234 -15.4294 -15.4288 -15.3859 -15.3852 -15.3550 -15.3543 -10.3210 -10.3186 -8.5106 -8.5057 -6.9362 -6.9315 -5.2502 -5.2457 -5.2173 -5.2119 -4.4418 -4.4383 -1.0688 -1.0664 -0.9174 -0.9158 -0.4187 -0.4158 -0.1877 -0.1873 0.0477 0.0513 0.2582 0.2594 0.6025 0.6055 1.3063 1.3065 1.4228 1.4242 1.8717 1.8722 2.2272 2.2273 2.5489 2.5513 6.0455 6.0524 6.7944 6.8028 7.7567 7.7592 9.4290 9.4309 9.6199 9.6365 9.6651 9.6853 10.7179 10.7195 11.4935 11.4941 k = 0.4242 0.4199-0.0000 ( 4152 PWs) bands (ev): -18.2144 -18.2141 -17.7014 -17.7006 -16.7256 -16.7244 -15.4292 -15.4286 -15.3855 -15.3847 -15.3561 -15.3554 -10.3245 -10.3221 -8.4704 -8.4652 -6.9860 -6.9809 -5.2408 -5.2357 -5.2147 -5.2089 -4.4353 -4.4317 -1.0605 -1.0578 -0.9175 -0.9156 -0.4232 -0.4202 -0.1833 -0.1830 0.0272 0.0307 0.2360 0.2371 0.6316 0.6345 1.2921 1.2922 1.4144 1.4159 1.8884 1.8889 2.2181 2.2181 2.5597 2.5621 6.0813 6.0890 6.8042 6.8136 7.7176 7.7205 9.4337 9.4358 9.6005 9.6180 9.6463 9.6681 10.7575 10.7596 11.5048 11.5054 k = 0.4167 0.4330-0.0000 ( 4148 PWs) bands (ev): -18.2003 -18.1999 -17.7169 -17.7161 -16.7266 -16.7254 -15.4291 -15.4285 -15.3849 -15.3842 -15.3572 -15.3565 -10.3280 -10.3256 -8.4267 -8.4211 -7.0389 -7.0337 -5.2323 -5.2267 -5.2117 -5.2054 -4.4285 -4.4248 -1.0519 -1.0488 -0.9178 -0.9157 -0.4278 -0.4247 -0.1783 -0.1779 0.0083 0.0116 0.2127 0.2137 0.6594 0.6621 1.2787 1.2788 1.4053 1.4069 1.9053 1.9060 2.2089 2.2090 2.5699 2.5723 6.1202 6.1286 6.8138 6.8242 7.6763 7.6795 9.4386 9.4406 9.5809 9.5978 9.6293 9.6513 10.7993 10.8019 11.5154 11.5160 k = 0.4091 0.4461-0.0000 ( 4152 PWs) bands (ev): -18.1849 -18.1845 -17.7338 -17.7330 -16.7276 -16.7264 -15.4290 -15.4284 -15.3843 -15.3835 -15.3585 -15.3578 -10.3314 -10.3290 -8.3795 -8.3737 -7.0948 -7.0893 -5.2251 -5.2189 -5.2080 -5.2014 -4.4213 -4.4176 -1.0429 -1.0395 -0.9186 -0.9162 -0.4324 -0.4293 -0.1724 -0.1721 -0.0089 -0.0058 0.1887 0.1896 0.6855 0.6880 1.2664 1.2666 1.3956 1.3973 1.9225 1.9232 2.1995 2.1998 2.5795 2.5818 6.1618 6.1709 6.8227 6.8342 7.6333 7.6370 9.4434 9.4453 9.5617 9.5770 9.6138 9.6349 10.8429 10.8460 11.5249 11.5255 k = 0.4015 0.4593-0.0000 ( 4156 PWs) bands (ev): -18.1682 -18.1678 -17.7521 -17.7512 -16.7284 -16.7273 -15.4289 -15.4283 -15.3836 -15.3828 -15.3598 -15.3592 -10.3346 -10.3323 -8.3291 -8.3232 -7.1532 -7.1475 -5.2194 -5.2124 -5.2038 -5.1968 -4.4140 -4.4104 -1.0337 -1.0300 -0.9198 -0.9171 -0.4369 -0.4337 -0.1657 -0.1654 -0.0243 -0.0216 0.1643 0.1651 0.7095 0.7118 1.2557 1.2560 1.3853 1.3871 1.9396 1.9404 2.1900 2.1905 2.5883 2.5905 6.2060 6.2158 6.8303 6.8429 7.5895 7.5936 9.4481 9.4496 9.5435 9.5564 9.5993 9.6191 10.8883 10.8919 11.5329 11.5335 k = 0.3939 0.4724-0.0000 ( 4160 PWs) bands (ev): -18.1503 -18.1499 -17.7715 -17.7707 -16.7292 -16.7282 -15.4288 -15.4282 -15.3828 -15.3821 -15.3611 -15.3606 -10.3376 -10.3355 -8.2757 -8.2696 -7.2139 -7.2081 -5.2150 -5.2073 -5.1993 -5.1920 -4.4067 -4.4033 -1.0244 -1.0204 -0.9215 -0.9186 -0.4411 -0.4380 -0.1582 -0.1578 -0.0380 -0.0356 0.1399 0.1404 0.7312 0.7333 1.2470 1.2475 1.3745 1.3764 1.9567 1.9576 2.1803 2.1809 2.5962 2.5983 6.2525 6.2629 6.8357 6.8493 7.5457 7.5504 9.4522 9.4530 9.5270 9.5372 9.5857 9.6040 10.9352 10.9393 11.5393 11.5399 k = 0.3864 0.4855-0.0000 ( 4168 PWs) bands (ev): -18.1312 -18.1307 -17.7922 -17.7914 -16.7299 -16.7289 -15.4287 -15.4281 -15.3820 -15.3813 -15.3625 -15.3621 -10.3403 -10.3384 -8.2195 -8.2132 -7.2767 -7.2708 -5.2114 -5.2031 -5.1951 -5.1874 -4.3996 -4.3964 -1.0153 -1.0109 -0.9238 -0.9206 -0.4449 -0.4419 -0.1497 -0.1494 -0.0499 -0.0479 0.1157 0.1160 0.7502 0.7521 1.2407 1.2415 1.3632 1.3652 1.9736 1.9746 2.1702 2.1711 2.6032 2.6051 6.3009 6.3120 6.8379 6.8525 7.5033 7.5083 9.4550 9.4553 9.5133 9.5200 9.5732 9.5896 10.9836 10.9882 11.5437 11.5443 k = 0.3788 0.4986-0.0000 ( 4164 PWs) bands (ev): -18.1108 -18.1103 -17.8140 -17.8132 -16.7305 -16.7296 -15.4286 -15.4281 -15.3811 -15.3804 -15.3639 -15.3637 -10.3427 -10.3410 -8.1605 -8.1542 -7.3414 -7.3354 -5.2084 -5.1995 -5.1915 -5.1834 -4.3929 -4.3900 -1.0062 -1.0016 -0.9268 -0.9232 -0.4482 -0.4455 -0.1405 -0.1401 -0.0601 -0.0585 0.0921 0.0921 0.7663 0.7679 1.2372 1.2382 1.3515 1.3536 1.9903 1.9914 2.1598 2.1609 2.6092 2.6109 6.3509 6.3626 6.8357 6.8511 7.4636 7.4689 9.4543 9.4564 9.5037 9.5065 9.5616 9.5763 11.0333 11.0384 11.5461 11.5467 k = 0.3712 0.5117-0.0000 ( 4168 PWs) bands (ev): -18.0893 -18.0887 -17.8369 -17.8361 -16.7310 -16.7302 -15.4285 -15.4280 -15.3801 -15.3795 -15.3653 -15.3652 -10.3448 -10.3433 -8.0990 -8.0926 -7.4077 -7.4016 -5.2057 -5.1963 -5.1888 -5.1802 -4.3867 -4.3842 -0.9975 -0.9925 -0.9303 -0.9264 -0.4510 -0.4486 -0.1304 -0.1300 -0.0685 -0.0674 0.0692 0.0694 0.7794 0.7807 1.2365 1.2378 1.3394 1.3416 2.0068 2.0080 2.1490 2.1502 2.6142 2.6157 6.4023 6.4146 6.8276 6.8436 7.4282 7.4334 9.4502 9.4538 9.4984 9.4989 9.5512 9.5642 11.0842 11.0897 11.5458 11.5469 k = 0.3636 0.5249-0.0000 ( 4176 PWs) bands (ev): -18.0666 -18.0660 -17.8608 -17.8600 -16.7313 -16.7307 -15.4284 -15.4280 -15.3791 -15.3786 -15.3668 -15.3667 -10.3465 -10.3452 -8.0350 -8.0286 -7.4754 -7.4694 -5.2033 -5.1934 -5.1869 -5.1778 -4.3813 -4.3792 -0.9890 -0.9838 -0.9346 -0.9304 -0.4532 -0.4512 -0.1199 -0.1194 -0.0752 -0.0746 0.0476 0.0481 0.7893 0.7903 1.2389 1.2405 1.3270 1.3293 2.0230 2.0242 2.1375 2.1390 2.6183 2.6195 6.4546 6.4674 6.8122 6.8284 7.3986 7.4035 9.4440 9.4477 9.4958 9.4982 9.5419 9.5534 11.1360 11.1420 11.5290 11.5363 k = 0.3561 0.5380-0.0000 ( 4180 PWs) bands (ev): -18.0428 -18.0422 -17.8856 -17.8848 -16.7315 -16.7310 -15.4284 -15.4281 -15.3780 -15.3777 -15.3683 -15.3679 -10.3477 -10.3468 -7.9689 -7.9625 -7.5445 -7.5385 -5.2012 -5.1909 -5.1858 -5.1762 -4.3767 -4.3751 -0.9809 -0.9755 -0.9395 -0.9349 -0.4548 -0.4532 -0.1093 -0.1085 -0.0803 -0.0800 0.0281 0.0287 0.7964 0.7971 1.2442 1.2462 1.3143 1.3167 2.0389 2.0402 2.1255 2.1272 2.6215 2.6224 6.5075 6.5208 6.7887 6.8046 7.3759 7.3801 9.4375 9.4402 9.4969 9.4996 9.5340 9.5443 11.1885 11.1949 11.4837 11.4906 k = 0.3485 0.5511-0.0000 ( 4186 PWs) bands (ev): -18.0179 -18.0173 -17.9113 -17.9106 -16.7317 -16.7313 -15.4283 -15.4281 -15.3770 -15.3768 -15.3697 -15.3691 -10.3486 -10.3480 -7.9008 -7.8943 -7.6147 -7.6088 -5.1994 -5.1887 -5.1855 -5.1754 -4.3733 -4.3721 -0.9733 -0.9676 -0.9449 -0.9401 -0.4557 -0.4547 -0.0996 -0.0982 -0.0837 -0.0837 0.0116 0.0123 0.8009 0.8013 1.2522 1.2545 1.3015 1.3039 2.0544 2.0557 2.1128 2.1148 2.6237 2.6243 6.5606 6.5744 6.7565 6.7717 7.3608 7.3638 9.4320 9.4335 9.4995 9.5016 9.5275 9.5372 11.2412 11.2479 11.4368 11.4433 k = 0.3409 0.5642-0.0000 ( 4190 PWs) bands (ev): -17.9919 -17.9913 -17.9378 -17.9371 -16.7317 -16.7315 -15.4282 -15.4281 -15.3762 -15.3761 -15.3708 -15.3699 -10.3491 -10.3487 -7.8308 -7.8243 -7.6859 -7.6801 -5.1982 -5.1871 -5.1857 -5.1751 -4.3709 -4.3703 -0.9664 -0.9602 -0.9508 -0.9458 -0.4562 -0.4556 -0.0930 -0.0901 -0.0856 -0.0851 -0.0000 0.0005 0.8032 0.8034 1.2624 1.2652 1.2885 1.2909 2.0694 2.0707 2.0994 2.1018 2.6251 2.6254 6.6133 6.6277 6.7161 6.7301 7.3527 7.3543 9.4285 9.4290 9.5020 9.5030 9.5231 9.5328 11.2929 11.3000 11.3902 11.3961 k = 0.3333 0.5774-0.0000 ( 4182 PWs) bands (ev): -17.9656 -17.9643 -17.9643 -17.9643 -16.7316 -16.7316 -15.4282 -15.4282 -15.3758 -15.3758 -15.3712 -15.3702 -10.3491 -10.3491 -7.7663 -7.7541 -7.7507 -7.7507 -5.1977 -5.1862 -5.1862 -5.1750 -4.3699 -4.3699 -0.9620 -0.9550 -0.9550 -0.9502 -0.4561 -0.4561 -0.0913 -0.0874 -0.0852 -0.0852 -0.0042 -0.0042 0.8040 0.8040 1.2724 1.2776 1.2776 1.2778 2.0815 2.0815 2.0877 2.0918 2.6256 2.6256 6.6568 6.6768 6.6768 6.6844 7.3509 7.3509 9.4274 9.4274 9.5033 9.5033 9.5214 9.5313 11.3345 11.3468 11.3514 11.3514 k = 0.3333 0.5774-0.0000 ( 4182 PWs) bands (ev): -17.9656 -17.9643 -17.9643 -17.9643 -16.7316 -16.7316 -15.4282 -15.4282 -15.3758 -15.3758 -15.3712 -15.3702 -10.3491 -10.3491 -7.7663 -7.7541 -7.7507 -7.7507 -5.1977 -5.1862 -5.1862 -5.1750 -4.3699 -4.3699 -0.9620 -0.9550 -0.9550 -0.9502 -0.4561 -0.4561 -0.0913 -0.0874 -0.0852 -0.0852 -0.0042 -0.0042 0.8040 0.8040 1.2724 1.2776 1.2776 1.2778 2.0815 2.0815 2.0877 2.0918 2.6256 2.6256 6.6568 6.6768 6.6768 6.6844 7.3509 7.3509 9.4274 9.4274 9.5033 9.5033 9.5214 9.5313 11.3345 11.3468 11.3514 11.3514 k = 0.3256 0.5639-0.0000 ( 4186 PWs) bands (ev): -17.9934 -17.9927 -17.9363 -17.9356 -16.7317 -16.7315 -15.4283 -15.4281 -15.3763 -15.3760 -15.3708 -15.3699 -10.3491 -10.3487 -7.8337 -7.8273 -7.6829 -7.6772 -5.1983 -5.1865 -5.1863 -5.1750 -4.3710 -4.3704 -0.9668 -0.9601 -0.9510 -0.9453 -0.4562 -0.4556 -0.0932 -0.0895 -0.0865 -0.0847 0.0001 0.0007 0.8034 0.8036 1.2612 1.2642 1.2893 1.2921 2.0686 2.0703 2.0998 2.1025 2.6251 2.6254 6.6097 6.6233 6.7207 6.7338 7.3524 7.3540 9.4287 9.4291 9.5026 9.5029 9.5230 9.5325 11.2950 11.3016 11.3869 11.3909 k = 0.3178 0.5505-0.0000 ( 4178 PWs) bands (ev): -18.0224 -18.0218 -17.9067 -17.9059 -16.7317 -16.7313 -15.4283 -15.4281 -15.3772 -15.3766 -15.3697 -15.3690 -10.3486 -10.3479 -7.9090 -7.9028 -7.6063 -7.6006 -5.2001 -5.1876 -5.1865 -5.1746 -4.3737 -4.3724 -0.9743 -0.9674 -0.9448 -0.9389 -0.4560 -0.4548 -0.1004 -0.0966 -0.0857 -0.0828 0.0118 0.0129 0.8023 0.8026 1.2476 1.2506 1.3044 1.3075 2.0520 2.0542 2.1142 2.1168 2.6237 2.6244 6.5486 6.5608 6.7720 6.7854 7.3578 7.3610 9.4322 9.4347 9.5008 9.5032 9.5266 9.5355 11.2491 11.2549 11.4137 11.4155 k = 0.3101 0.5371-0.0000 ( 4178 PWs) bands (ev): -18.0518 -18.0513 -17.8761 -17.8753 -16.7317 -16.7311 -15.4284 -15.4280 -15.3782 -15.3773 -15.3683 -15.3678 -10.3477 -10.3467 -7.9850 -7.9790 -7.5281 -7.5225 -5.2030 -5.1899 -5.1863 -5.1741 -4.3780 -4.3760 -0.9824 -0.9752 -0.9387 -0.9326 -0.4556 -0.4539 -0.1102 -0.1059 -0.0829 -0.0795 0.0282 0.0297 0.8011 0.8015 1.2340 1.2370 1.3203 1.3236 2.0344 2.0368 2.1282 2.1309 2.6217 2.6227 6.4830 6.4941 6.8219 6.8352 7.3659 7.3706 9.4372 9.4442 9.4991 9.5061 9.5311 9.5392 11.2040 11.2092 11.4209 11.4215 k = 0.3023 0.5236-0.0000 ( 4168 PWs) bands (ev): -18.0817 -18.0812 -17.8446 -17.8438 -16.7317 -16.7309 -15.4284 -15.4279 -15.3792 -15.3780 -15.3667 -15.3665 -10.3465 -10.3450 -8.0616 -8.0558 -7.4487 -7.4433 -5.2066 -5.1930 -5.1861 -5.1737 -4.3840 -4.3813 -0.9908 -0.9833 -0.9326 -0.9264 -0.4552 -0.4529 -0.1205 -0.1155 -0.0788 -0.0750 0.0477 0.0493 0.8002 0.8006 1.2203 1.2235 1.3365 1.3400 2.0156 2.0182 2.1420 2.1448 2.6191 2.6204 6.4141 6.4243 6.8699 6.8829 7.3758 7.3819 9.4421 9.4573 9.4983 9.5134 9.5361 9.5433 11.1601 11.1647 11.4148 11.4169 k = 0.2946 0.5102-0.0000 ( 4172 PWs) bands (ev): -18.1119 -18.1114 -17.8123 -17.8115 -16.7316 -16.7307 -15.4284 -15.4277 -15.3800 -15.3785 -15.3651 -15.3650 -10.3448 -10.3430 -8.1387 -8.1329 -7.3682 -7.3629 -5.2108 -5.1967 -5.1860 -5.1734 -4.3917 -4.3882 -0.9993 -0.9915 -0.9266 -0.9204 -0.4547 -0.4520 -0.1302 -0.1248 -0.0735 -0.0694 0.0692 0.0710 0.7999 0.8004 1.2068 1.2100 1.3528 1.3564 1.9958 1.9986 2.1553 2.1584 2.6158 2.6174 6.3428 6.3523 6.9157 6.9283 7.3867 7.3941 9.4452 9.4715 9.5003 9.5267 9.5418 9.5476 11.1177 11.1217 11.4031 11.4064 k = 0.2868 0.4968-0.0000 ( 4172 PWs) bands (ev): -18.1422 -18.1418 -17.7792 -17.7783 -16.7316 -16.7305 -15.4284 -15.4276 -15.3807 -15.3789 -15.3635 -15.3634 -10.3427 -10.3406 -8.2160 -8.2104 -7.2868 -7.2816 -5.2154 -5.2007 -5.1861 -5.1733 -4.4010 -4.3968 -1.0078 -0.9996 -0.9207 -0.9144 -0.4545 -0.4513 -0.1391 -0.1332 -0.0671 -0.0629 0.0923 0.0943 0.8006 0.8011 1.1933 1.1966 1.3689 1.3727 1.9750 1.9779 2.1683 2.1716 2.6120 2.6139 6.2699 6.2787 6.9592 6.9711 7.3981 7.4067 9.4460 9.4800 9.5107 9.5437 9.5492 9.5548 11.0772 11.0805 11.3890 11.3932 k = 0.2791 0.4834-0.0000 ( 4164 PWs) bands (ev): -18.1727 -18.1723 -17.7453 -17.7444 -16.7317 -16.7304 -15.4283 -15.4274 -15.3812 -15.3792 -15.3619 -15.3616 -10.3403 -10.3379 -8.2936 -8.2881 -7.2046 -7.1995 -5.2203 -5.2051 -5.1865 -5.1735 -4.4120 -4.4070 -1.0162 -1.0076 -0.9148 -0.9085 -0.4545 -0.4510 -0.1471 -0.1407 -0.0597 -0.0553 0.1166 0.1188 0.8023 0.8029 1.1800 1.1834 1.3846 1.3885 1.9532 1.9562 2.1810 2.1844 2.6076 2.6098 6.1958 6.2041 7.0000 7.0111 7.4093 7.4190 9.4446 9.4808 9.5262 9.5507 9.5633 9.5782 11.0388 11.0414 11.3739 11.3789 k = 0.2713 0.4699-0.0000 ( 4158 PWs) bands (ev): -18.2033 -18.2029 -17.7108 -17.7099 -16.7318 -16.7303 -15.4282 -15.4271 -15.3815 -15.3792 -15.3602 -15.3598 -10.3376 -10.3348 -8.3713 -8.3660 -7.1217 -7.1168 -5.2254 -5.2097 -5.1871 -5.1741 -4.4245 -4.4188 -1.0242 -1.0154 -0.9090 -0.9026 -0.4549 -0.4511 -0.1541 -0.1472 -0.0512 -0.0468 0.1421 0.1445 0.8052 0.8058 1.1668 1.1703 1.3999 1.4039 1.9304 1.9335 2.1932 2.1969 2.6026 2.6051 6.1213 6.1290 7.0381 7.0482 7.4202 7.4309 9.4412 9.4784 9.5354 9.5529 9.5904 9.6117 11.0028 11.0048 11.3586 11.3644 k = 0.2636 0.4565-0.0000 ( 4156 PWs) bands (ev): -18.2338 -18.2335 -17.6757 -17.6747 -16.7320 -16.7304 -15.4281 -15.4268 -15.3816 -15.3791 -15.3585 -15.3580 -10.3346 -10.3315 -8.4491 -8.4439 -7.0383 -7.0336 -5.2306 -5.2144 -5.1882 -5.1751 -4.4385 -4.4321 -1.0318 -1.0227 -0.9032 -0.8968 -0.4557 -0.4518 -0.1602 -0.1528 -0.0416 -0.0373 0.1684 0.1710 0.8094 0.8100 1.1539 1.1575 1.4145 1.4187 1.9069 1.9100 2.2051 2.2090 2.5972 2.5999 6.0465 6.0538 7.0735 7.0825 7.4303 7.4421 9.4362 9.4743 9.5388 9.5534 9.6280 9.6514 10.9697 10.9711 11.3437 11.3503 k = 0.2558 0.4431-0.0000 ( 4148 PWs) bands (ev): -18.2642 -18.2639 -17.6400 -17.6390 -16.7322 -16.7305 -15.4278 -15.4264 -15.3814 -15.3787 -15.3568 -15.3561 -10.3313 -10.3279 -8.5268 -8.5217 -6.9545 -6.9500 -5.2358 -5.2192 -5.1895 -5.1764 -4.4540 -4.4468 -1.0389 -1.0295 -0.8974 -0.8910 -0.4572 -0.4531 -0.1656 -0.1577 -0.0309 -0.0267 0.1957 0.1984 0.8148 0.8155 1.1412 1.1449 1.4284 1.4327 1.8825 1.8857 2.2165 2.2206 2.5912 2.5941 5.9721 5.9789 7.1063 7.1140 7.4395 7.4523 9.4295 9.4686 9.5387 9.5521 9.6728 9.6967 10.9399 10.9406 11.3299 11.3372 k = 0.2481 0.4297-0.0000 ( 4146 PWs) bands (ev): -18.2945 -18.2942 -17.6039 -17.6029 -16.7326 -16.7307 -15.4275 -15.4259 -15.3810 -15.3781 -15.3551 -15.3543 -10.3277 -10.3240 -8.6043 -8.5993 -6.8705 -6.8662 -5.2410 -5.2239 -5.1912 -5.1781 -4.4707 -4.4629 -1.0454 -1.0357 -0.8918 -0.8854 -0.4593 -0.4551 -0.1702 -0.1619 -0.0189 -0.0149 0.2236 0.2265 0.8215 0.8222 1.1288 1.1326 1.4416 1.4459 1.8575 1.8607 2.2275 2.2319 2.5847 2.5878 5.8982 5.9047 7.1365 7.1428 7.4477 7.4614 9.4210 9.4611 9.5359 9.5486 9.7232 9.7471 10.9138 10.9139 11.3174 11.3254 k = 0.2403 0.4162-0.0000 ( 4136 PWs) bands (ev): -18.3245 -18.3242 -17.5674 -17.5663 -16.7331 -16.7311 -15.4271 -15.4253 -15.3803 -15.3772 -15.3534 -15.3524 -10.3239 -10.3200 -8.6815 -8.6767 -6.7865 -6.7823 -5.2461 -5.2286 -5.1933 -5.1802 -4.4887 -4.4801 -1.0511 -1.0412 -0.8865 -0.8801 -0.4621 -0.4578 -0.1743 -0.1656 -0.0056 -0.0018 0.2521 0.2552 0.8292 0.8300 1.1168 1.1206 1.4538 1.4583 1.8318 1.8351 2.2381 2.2426 2.5777 2.5809 5.8253 5.8314 7.1642 7.1690 7.4549 7.4694 9.4106 9.4518 9.5303 9.5427 9.7786 9.8022 10.8914 10.8918 11.3068 11.3153 k = 0.2326 0.4028-0.0000 ( 4130 PWs) bands (ev): -18.3541 -18.3539 -17.5305 -17.5295 -16.7337 -16.7315 -15.4266 -15.4247 -15.3793 -15.3761 -15.3516 -15.3505 -10.3199 -10.3157 -8.7583 -8.7537 -6.7025 -6.6986 -5.2511 -5.2332 -5.1956 -5.1826 -4.5078 -4.4985 -1.0559 -1.0458 -0.8814 -0.8751 -0.4657 -0.4614 -0.1780 -0.1690 0.0092 0.0128 0.2812 0.2844 0.8380 0.8389 1.1050 1.1090 1.4652 1.4698 1.8058 1.8090 2.2481 2.2529 2.5701 2.5735 5.7535 5.7593 7.1898 7.1930 7.4609 7.4763 9.3981 9.4404 9.5216 9.5340 9.8385 9.8617 10.8735 10.8744 11.2981 11.3072 k = 0.2248 0.3894-0.0000 ( 4130 PWs) bands (ev): -18.3834 -18.3832 -17.4935 -17.4924 -16.7344 -16.7321 -15.4260 -15.4239 -15.3781 -15.3748 -15.3499 -15.3486 -10.3157 -10.3114 -8.8347 -8.8302 -6.6187 -6.6150 -5.2559 -5.2376 -5.1983 -5.1853 -4.5279 -4.5179 -1.0598 -1.0495 -0.8767 -0.8704 -0.4701 -0.4658 -0.1815 -0.1721 0.0257 0.0290 0.3106 0.3141 0.8476 0.8487 1.0936 1.0977 1.4757 1.4804 1.7794 1.7826 2.2575 2.2625 2.5619 2.5655 5.6833 5.6888 7.2135 7.2150 7.4659 7.4821 9.3834 9.4267 9.5096 9.5221 9.9025 9.9251 10.8606 10.8619 11.2917 11.3013 k = 0.2171 0.3759-0.0000 ( 4130 PWs) bands (ev): -18.4123 -18.4120 -17.4563 -17.4552 -16.7352 -16.7329 -15.4253 -15.4230 -15.3767 -15.3732 -15.3481 -15.3467 -10.3114 -10.3068 -8.9104 -8.9061 -6.5353 -6.5318 -5.2605 -5.2419 -5.2012 -5.1884 -4.5488 -4.5381 -1.0627 -1.0523 -0.8725 -0.8664 -0.4753 -0.4710 -0.1850 -0.1752 0.0439 0.0469 0.3405 0.3441 0.8580 0.8592 1.0826 1.0868 1.4851 1.4899 1.7528 1.7559 2.2664 2.2716 2.5532 2.5569 5.6148 5.6200 7.2353 7.2354 7.4698 7.4869 9.3663 9.4106 9.4941 9.5069 9.9701 9.9921 10.8530 10.8546 11.2879 11.2978 k = 0.2093 0.3625-0.0000 ( 4130 PWs) bands (ev): -18.4406 -18.4404 -17.4190 -17.4179 -16.7362 -16.7338 -15.4245 -15.4220 -15.3750 -15.3714 -15.3464 -15.3448 -10.3069 -10.3022 -8.9854 -8.9813 -6.4524 -6.4491 -5.2648 -5.2459 -5.2045 -5.1918 -4.5704 -4.5591 -1.0645 -1.0539 -0.8690 -0.8629 -0.4813 -0.4770 -0.1886 -0.1784 0.0639 0.0666 0.3706 0.3744 0.8690 0.8704 1.0721 1.0764 1.4935 1.4984 1.7261 1.7292 2.2746 2.2800 2.5439 2.5477 5.5483 5.5532 7.2541 7.2560 7.4730 7.4909 9.3468 9.3919 9.4749 9.4880 10.0408 10.0622 10.8508 10.8526 11.2867 11.2968 k = 0.2016 0.3491-0.0000 ( 4138 PWs) bands (ev): -18.4683 -18.4682 -17.3818 -17.3807 -16.7373 -16.7348 -15.4235 -15.4209 -15.3731 -15.3694 -15.3447 -15.3429 -10.3024 -10.2975 -9.0596 -9.0556 -6.3702 -6.3670 -5.2689 -5.2496 -5.2080 -5.1955 -4.5927 -4.5807 -1.0652 -1.0544 -0.8662 -0.8602 -0.4880 -0.4838 -0.1924 -0.1820 0.0858 0.0882 0.4008 0.4048 0.8805 0.8822 1.0620 1.0664 1.5008 1.5058 1.6994 1.7025 2.2820 2.2876 2.5340 2.5379 5.4839 5.4886 7.2719 7.2754 7.4754 7.4941 9.3247 9.3705 9.4519 9.4655 10.1141 10.1349 10.8541 10.8562 11.2882 11.2984 k = 0.1938 0.3357-0.0000 ( 4140 PWs) bands (ev): -18.4955 -18.4953 -17.3448 -17.3436 -16.7385 -16.7360 -15.4224 -15.4196 -15.3709 -15.3672 -15.3429 -15.3411 -10.2977 -10.2928 -9.1328 -9.1290 -6.2888 -6.2858 -5.2726 -5.2531 -5.2117 -5.1995 -4.6154 -4.6029 -1.0647 -1.0538 -0.8642 -0.8584 -0.4953 -0.4912 -0.1968 -0.1860 0.1096 0.1117 0.4311 0.4353 0.8925 0.8943 1.0524 1.0569 1.5069 1.5121 1.6730 1.6760 2.2887 2.2944 2.5236 2.5274 5.4220 5.4263 7.2888 7.2940 7.4773 7.4967 9.3001 9.3465 9.4253 9.4394 10.1896 10.2098 10.8630 10.8651 11.2925 11.3026 k = 0.1860 0.3222-0.0000 ( 4140 PWs) bands (ev): -18.5219 -18.5218 -17.3079 -17.3068 -16.7398 -16.7373 -15.4211 -15.4182 -15.3686 -15.3648 -15.3412 -15.3392 -10.2931 -10.2881 -9.2049 -9.2013 -6.2083 -6.2055 -5.2760 -5.2562 -5.2156 -5.2036 -4.6385 -4.6254 -1.0629 -1.0519 -0.8632 -0.8576 -0.5031 -0.4991 -0.2017 -0.1907 0.1353 0.1371 0.4615 0.4658 0.9047 0.9068 1.0433 1.0480 1.5118 1.5171 1.6469 1.6498 2.2945 2.3004 2.5126 2.5165 5.3625 5.3666 7.3052 7.3120 7.4790 7.4991 9.2731 9.3198 9.3951 9.4097 10.2668 10.2864 10.8771 10.8793 11.2995 11.3094 k = 0.1783 0.3088-0.0000 ( 4144 PWs) bands (ev): -18.5477 -18.5475 -17.2715 -17.2703 -16.7412 -16.7387 -15.4197 -15.4167 -15.3660 -15.3622 -15.3395 -15.3374 -10.2884 -10.2833 -9.2758 -9.2723 -6.1290 -6.1264 -5.2790 -5.2590 -5.2196 -5.2080 -4.6618 -4.6482 -1.0599 -1.0488 -0.8633 -0.8578 -0.5114 -0.5075 -0.2074 -0.1961 0.1629 0.1645 0.4918 0.4963 0.9172 0.9196 1.0347 1.0395 1.5155 1.5209 1.6212 1.6240 2.2995 2.3055 2.5010 2.5049 5.3057 5.3096 7.3213 7.3298 7.4805 7.5013 9.2436 9.2906 9.3615 9.3768 10.3453 10.3644 10.8964 10.8985 11.3092 11.3187 k = 0.1705 0.2954-0.0000 ( 4140 PWs) bands (ev): -18.5726 -18.5725 -17.2355 -17.2343 -16.7427 -16.7403 -15.4182 -15.4150 -15.3633 -15.3595 -15.3378 -15.3356 -10.2837 -10.2786 -9.3452 -9.3420 -6.0510 -6.0486 -5.2817 -5.2615 -5.2238 -5.2125 -4.6853 -4.6711 -1.0556 -1.0443 -0.8644 -0.8592 -0.5201 -0.5163 -0.2140 -0.2025 0.1924 0.1937 0.5219 0.5266 0.9299 0.9326 1.0267 1.0317 1.5177 1.5233 1.5960 1.5988 2.3035 2.3096 2.4889 2.4928 5.2518 5.2553 7.3374 7.3474 7.4823 7.5037 9.2118 9.2589 9.3250 9.3409 10.4245 10.4431 10.9204 10.9225 11.3214 11.3304 k = 0.1628 0.2820-0.0000 ( 4140 PWs) bands (ev): -18.5968 -18.5967 -17.2000 -17.1989 -16.7444 -16.7419 -15.4165 -15.4132 -15.3605 -15.3567 -15.3362 -15.3338 -10.2791 -10.2740 -9.4132 -9.4101 -5.9744 -5.9723 -5.2839 -5.2636 -5.2280 -5.2171 -4.7087 -4.6941 -1.0499 -1.0386 -0.8667 -0.8617 -0.5290 -0.5253 -0.2216 -0.2099 0.2236 0.2247 0.5518 0.5567 0.9427 0.9457 1.0192 1.0244 1.5186 1.5243 1.5716 1.5742 2.3066 2.3127 2.4763 2.4801 5.2006 5.2039 7.3537 7.3651 7.4845 7.5065 9.1778 9.2249 9.2858 9.3023 10.5041 10.5222 10.9487 10.9507 11.3360 11.3444 k = 0.1550 0.2685-0.0000 ( 4146 PWs) bands (ev): -18.6201 -18.6200 -17.1653 -17.1641 -16.7460 -16.7436 -15.4146 -15.4112 -15.3575 -15.3538 -15.3345 -15.3320 -10.2745 -10.2694 -9.4795 -9.4766 -5.8995 -5.8976 -5.2857 -5.2653 -5.2323 -5.2218 -4.7321 -4.7171 -1.0429 -1.0315 -0.8702 -0.8654 -0.5381 -0.5345 -0.2303 -0.2184 0.2565 0.2573 0.5813 0.5864 0.9556 0.9589 1.0124 1.0177 1.5178 1.5237 1.5479 1.5505 2.3086 2.3148 2.4632 2.4670 5.1524 5.1555 7.3703 7.3831 7.4875 7.5100 9.1418 9.1888 9.2442 9.2614 10.5834 10.6012 10.9809 10.9827 11.3529 11.3605 k = 0.1473 0.2551-0.0000 ( 4140 PWs) bands (ev): -18.6425 -18.6424 -17.1313 -17.1301 -16.7478 -16.7454 -15.4126 -15.4091 -15.3544 -15.3507 -15.3329 -15.3302 -10.2700 -10.2649 -9.5440 -9.5413 -5.8265 -5.8248 -5.2870 -5.2666 -5.2366 -5.2265 -4.7553 -4.7399 -1.0346 -1.0231 -0.8748 -0.8702 -0.5473 -0.5437 -0.2403 -0.2283 0.2909 0.2915 0.6105 0.6158 0.9686 0.9721 1.0063 1.0117 1.5150 1.5207 1.5256 1.5284 2.3097 2.3158 2.4497 2.4535 5.1072 5.1100 7.3875 7.4015 7.4915 7.5143 9.1041 9.1507 9.2008 9.2185 10.6622 10.6797 11.0165 11.0182 11.3718 11.3786 k = 0.1395 0.2417-0.0000 ( 4150 PWs) bands (ev): -18.6639 -18.6638 -17.0982 -17.0971 -16.7495 -16.7472 -15.4105 -15.4069 -15.3513 -15.3477 -15.3312 -15.3285 -10.2655 -10.2606 -9.6065 -9.6039 -5.7555 -5.7541 -5.2879 -5.2675 -5.2407 -5.2312 -4.7781 -4.7625 -1.0249 -1.0133 -0.8806 -0.8762 -0.5564 -0.5530 -0.2517 -0.2394 0.3267 0.3271 0.6392 0.6448 0.9815 0.9851 1.0010 1.0064 1.5018 1.5045 1.5130 1.5188 2.3097 2.3159 2.4359 2.4396 5.0649 5.0674 7.4053 7.4203 7.4968 7.5198 9.0648 9.1108 9.1557 9.1739 10.7398 10.7571 11.0551 11.0566 11.3924 11.3983 k = 0.1318 0.2283-0.0000 ( 4150 PWs) bands (ev): -18.6844 -18.6843 -17.0662 -17.0650 -16.7513 -16.7491 -15.4083 -15.4046 -15.3481 -15.3446 -15.3296 -15.3268 -10.2612 -10.2564 -9.6669 -9.6645 -5.6867 -5.6856 -5.2884 -5.2681 -5.2448 -5.2357 -4.8006 -4.7847 -1.0138 -1.0022 -0.8874 -0.8833 -0.5654 -0.5621 -0.2644 -0.2520 0.3637 0.3639 0.6674 0.6732 0.9931 0.9937 1.0014 1.0025 1.4812 1.4836 1.5070 1.5132 2.3089 2.3149 2.4218 2.4254 5.0255 5.0277 7.4239 7.4397 7.5037 7.5268 9.0241 9.0695 9.1093 9.1280 10.8158 10.8331 11.0961 11.0973 11.4146 11.4196 k = 0.1240 0.2148-0.0000 ( 4148 PWs) bands (ev): -18.7039 -18.7038 -17.0352 -17.0341 -16.7531 -16.7509 -15.4059 -15.4022 -15.3449 -15.3416 -15.3280 -15.3252 -10.2570 -10.2524 -9.7250 -9.7227 -5.6205 -5.6197 -5.2883 -5.2682 -5.2485 -5.2401 -4.8226 -4.8065 -1.0014 -0.9898 -0.8952 -0.8913 -0.5742 -0.5711 -0.2785 -0.2660 0.4018 0.4018 0.6949 0.7010 0.9901 0.9961 1.0091 1.0135 1.4612 1.4634 1.4997 1.5061 2.3071 2.3130 2.4076 2.4111 4.9889 4.9910 7.4433 7.4594 7.5126 7.5353 8.9823 9.0269 9.0620 9.0810 10.8898 10.9070 11.1386 11.1395 11.4367 11.4420 k = 0.1163 0.2014-0.0000 ( 4142 PWs) bands (ev): -18.7223 -18.7223 -17.0056 -17.0045 -16.7549 -16.7528 -15.4035 -15.3997 -15.3417 -15.3385 -15.3264 -15.3236 -10.2530 -10.2485 -9.7807 -9.7785 -5.5570 -5.5567 -5.2878 -5.2680 -5.2519 -5.2441 -4.8440 -4.8278 -0.9877 -0.9760 -0.9038 -0.9002 -0.5828 -0.5799 -0.2940 -0.2815 0.4406 0.4408 0.7217 0.7280 0.9865 0.9930 1.0217 1.0266 1.4421 1.4443 1.4907 1.4973 2.3045 2.3103 2.3932 2.3966 4.9551 4.9570 7.4634 7.4793 7.5238 7.5456 8.9398 8.9832 9.0141 9.0333 10.9612 10.9785 11.1810 11.1815 11.3936 11.3985 k = 0.1085 0.1880-0.0000 ( 4134 PWs) bands (ev): -18.7397 -18.7397 -16.9772 -16.9762 -16.7567 -16.7547 -15.4010 -15.3972 -15.3386 -15.3356 -15.3248 -15.3220 -10.2492 -10.2448 -9.8337 -9.8317 -5.4969 -5.4967 -5.2868 -5.2674 -5.2547 -5.2476 -4.8647 -4.8485 -0.9727 -0.9610 -0.9132 -0.9097 -0.5911 -0.5884 -0.3110 -0.2984 0.4802 0.4805 0.7477 0.7543 0.9833 0.9901 1.0346 1.0398 1.4241 1.4262 1.4800 1.4869 2.3013 2.3068 2.3789 2.3822 4.9241 4.9257 7.4844 7.4993 7.5377 7.5577 8.8966 8.9388 8.9659 8.9851 11.0295 11.0469 11.2160 11.2163 11.3302 11.3348 k = 0.1008 0.1745-0.0000 ( 4134 PWs) bands (ev): -18.7560 -18.7560 -16.9503 -16.9493 -16.7584 -16.7565 -15.3985 -15.3947 -15.3356 -15.3328 -15.3232 -15.3204 -10.2455 -10.2413 -9.8840 -9.8821 -5.4411 -5.4400 -5.2853 -5.2665 -5.2564 -5.2502 -4.8847 -4.8685 -0.9565 -0.9448 -0.9231 -0.9198 -0.5991 -0.5966 -0.3294 -0.3167 0.5202 0.5208 0.7728 0.7797 0.9806 0.9877 1.0473 1.0528 1.4072 1.4091 1.4677 1.4747 2.2973 2.3026 2.3648 2.3678 4.8956 4.8970 7.5062 7.5191 7.5544 7.5719 8.8532 8.8939 8.9176 8.9367 11.0942 11.1118 11.2086 11.2087 11.3140 11.3175 k = 0.0930 0.1611-0.0000 ( 4128 PWs) bands (ev): -18.7712 -18.7711 -16.9250 -16.9241 -16.7601 -16.7583 -15.3959 -15.3922 -15.3327 -15.3301 -15.3216 -15.3189 -10.2420 -10.2381 -9.9313 -9.9296 -5.3906 -5.3880 -5.2832 -5.2654 -5.2559 -5.2512 -4.9038 -4.8878 -0.9393 -0.9330 -0.9315 -0.9259 -0.6068 -0.6044 -0.3491 -0.3364 0.5607 0.5614 0.7968 0.8041 0.9784 0.9859 1.0596 1.0653 1.3912 1.3931 1.4537 1.4609 2.2929 2.2979 2.3509 2.3538 4.8697 4.8709 7.5286 7.5388 7.5739 7.5881 8.8099 8.8488 8.8697 8.8884 11.1474 11.1550 11.1616 11.1727 11.3489 11.3510 k = 0.0853 0.1477-0.0000 ( 4112 PWs) bands (ev): -18.7852 -18.7852 -16.9013 -16.9004 -16.7617 -16.7600 -15.3934 -15.3897 -15.3299 -15.3276 -15.3200 -15.3174 -10.2387 -10.2351 -9.9755 -9.9740 -5.3481 -5.3430 -5.2808 -5.2639 -5.2505 -5.2483 -4.9220 -4.9062 -0.9439 -0.9413 -0.9201 -0.9081 -0.6140 -0.6119 -0.3700 -0.3573 0.6013 0.6021 0.8197 0.8274 0.9768 0.9846 1.0714 1.0773 1.3764 1.3782 1.4383 1.4457 2.2882 2.2928 2.3375 2.3401 4.8461 4.8472 7.5515 7.5587 7.5957 7.6062 8.7670 8.8038 8.8223 8.8403 11.0921 11.0942 11.2123 11.2289 11.3948 11.3963 k = 0.0775 0.1343-0.0000 ( 4112 PWs) bands (ev): -18.7981 -18.7981 -16.8794 -16.8786 -16.7632 -16.7616 -15.3909 -15.3874 -15.3273 -15.3253 -15.3183 -15.3160 -10.2357 -10.2323 -10.0164 -10.0151 -5.3189 -5.3107 -5.2784 -5.2620 -5.2365 -5.2348 -4.9391 -4.9238 -0.9543 -0.9519 -0.9003 -0.8883 -0.6208 -0.6188 -0.3922 -0.3795 0.6418 0.6428 0.8413 0.8494 0.9755 0.9837 1.0823 1.0885 1.3626 1.3642 1.4216 1.4291 2.2832 2.2874 2.3246 2.3270 4.8248 4.8257 7.5749 7.5792 7.6189 7.6260 8.7248 8.7592 8.7759 8.7929 11.0334 11.0352 11.2636 11.2801 11.4430 11.4441 k = 0.0698 0.1208-0.0000 ( 4108 PWs) bands (ev): -18.8098 -18.8098 -16.8593 -16.8585 -16.7646 -16.7632 -15.3885 -15.3852 -15.3248 -15.3232 -15.3167 -15.3147 -10.2329 -10.2298 -10.0540 -10.0528 -5.3048 -5.2957 -5.2760 -5.2597 -5.2109 -5.2073 -4.9550 -4.9403 -0.9645 -0.9623 -0.8794 -0.8674 -0.6270 -0.6253 -0.4155 -0.4028 0.6821 0.6832 0.8615 0.8701 0.9748 0.9834 1.0922 1.0985 1.3498 1.3514 1.4037 1.4114 2.2781 2.2819 2.3124 2.3145 4.8058 4.8065 7.5986 7.6006 7.6430 7.6473 8.6839 8.7153 8.7308 8.7465 10.9784 10.9800 11.3099 11.3259 11.4917 11.4926 k = 0.0620 0.1074-0.0000 ( 4109 PWs) bands (ev): -18.8204 -18.8203 -16.8411 -16.8404 -16.7659 -16.7646 -15.3862 -15.3831 -15.3226 -15.3214 -15.3151 -15.3134 -10.2303 -10.2275 -10.0880 -10.0870 -5.2993 -5.2915 -5.2734 -5.2575 -5.1784 -5.1746 -4.9696 -4.9558 -0.9743 -0.9723 -0.8575 -0.8454 -0.6328 -0.6313 -0.4397 -0.4270 0.7219 0.7231 0.8801 0.8891 0.9745 0.9835 1.1008 1.1071 1.3382 1.3395 1.3852 1.3929 2.2731 2.2764 2.3011 2.3029 4.7889 4.7895 7.6223 7.6226 7.6675 7.6697 8.6446 8.6727 8.6874 8.7014 10.9280 10.9295 11.3510 11.3661 11.5398 11.5405 k = 0.0543 0.0940-0.0000 ( 4103 PWs) bands (ev): -18.8297 -18.8297 -16.8249 -16.8243 -16.7670 -16.7659 -15.3841 -15.3813 -15.3207 -15.3198 -15.3136 -15.3122 -10.2280 -10.2255 -10.1184 -10.1175 -5.2976 -5.2911 -5.2704 -5.2553 -5.1459 -5.1424 -4.9827 -4.9700 -0.9835 -0.9818 -0.8346 -0.8224 -0.6379 -0.6366 -0.4648 -0.4521 0.7609 0.7621 0.8969 0.9062 0.9747 0.9842 1.1074 1.1138 1.3276 1.3288 1.3665 1.3742 2.2682 2.2710 2.2909 2.2923 4.7741 4.7746 7.6450 7.6457 7.6918 7.6925 8.6076 8.6320 8.6463 8.6582 10.8828 10.8841 11.3869 11.4006 11.5867 11.5872 k = 0.0465 0.0806-0.0000 ( 4105 PWs) bands (ev): -18.8378 -18.8378 -16.8107 -16.8102 -16.7680 -16.7670 -15.3822 -15.3797 -15.3190 -15.3184 -15.3122 -15.3111 -10.2260 -10.2238 -10.1450 -10.1442 -5.2974 -5.2920 -5.2672 -5.2533 -5.1162 -5.1130 -4.9942 -4.9829 -0.9919 -0.9904 -0.8108 -0.7986 -0.6425 -0.6414 -0.4906 -0.4780 0.7988 0.8000 0.9117 0.9212 0.9755 0.9852 1.1118 1.1180 1.3182 1.3192 1.3482 1.3557 2.2636 2.2658 2.2819 2.2829 4.7613 4.7617 7.6672 7.6684 7.7152 7.7152 8.5734 8.5938 8.6080 8.6175 10.8430 10.8441 11.4175 11.4297 11.6315 11.6320 k = 0.0388 0.0671-0.0000 ( 4107 PWs) bands (ev): -18.8447 -18.8447 -16.7986 -16.7981 -16.7689 -16.7681 -15.3804 -15.3783 -15.3175 -15.3172 -15.3109 -15.3101 -10.2242 -10.2224 -10.1676 -10.1670 -5.2977 -5.2934 -5.2638 -5.2515 -5.0905 -5.0873 -5.0039 -4.9943 -0.9993 -0.9980 -0.7862 -0.7740 -0.6464 -0.6455 -0.5170 -0.5044 0.8350 0.8363 0.9244 0.9337 0.9772 0.9867 1.1133 1.1192 1.3101 1.3107 1.3311 1.3384 2.2593 2.2609 2.2743 2.2748 4.7505 4.7508 7.6887 7.6898 7.7369 7.7371 8.5429 8.5590 8.5730 8.5800 10.8089 10.8098 11.4431 11.4536 11.6734 11.6738 k = 0.0310 0.0537-0.0000 ( 4107 PWs) bands (ev): -18.8503 -18.8503 -16.7886 -16.7883 -16.7696 -16.7689 -15.3789 -15.3772 -15.3164 -15.3162 -15.3098 -15.3092 -10.2227 -10.2213 -10.1863 -10.1858 -5.2981 -5.2948 -5.2605 -5.2501 -5.0695 -5.0662 -5.0113 -5.0040 -1.0056 -1.0045 -0.7610 -0.7487 -0.6496 -0.6489 -0.5438 -0.5313 0.8688 0.8701 0.9351 0.9432 0.9799 0.9886 1.1116 1.1169 1.3032 1.3034 1.3162 1.3229 2.2555 2.2564 2.2682 2.2683 4.7417 4.7419 7.7083 7.7092 7.7567 7.7569 8.5168 8.5287 8.5420 8.5466 10.7807 10.7814 11.4639 11.4724 11.7112 11.7115 k = 0.0233 0.0403-0.0000 ( 4117 PWs) bands (ev): -18.8547 -18.8547 -16.7808 -16.7805 -16.7701 -16.7696 -15.3777 -15.3763 -15.3155 -15.3154 -15.3090 -15.3085 -10.2215 -10.2204 -10.2009 -10.2005 -5.2985 -5.2960 -5.2573 -5.2492 -5.0537 -5.0501 -5.0161 -5.0115 -1.0106 -1.0098 -0.7351 -0.7228 -0.6521 -0.6516 -0.5709 -0.5584 0.8988 0.9002 0.9440 0.9501 0.9836 0.9905 1.1066 1.1110 1.2974 1.2976 1.3045 1.3102 2.2521 2.2525 2.2634 2.2635 4.7348 4.7350 7.7252 7.7257 7.7736 7.7737 8.4960 8.5039 8.5158 8.5183 10.7586 10.7592 11.4801 11.4866 11.7433 11.7437 k = 0.0155 0.0269-0.0000 ( 4127 PWs) bands (ev): -18.8579 -18.8579 -16.7752 -16.7750 -16.7705 -16.7701 -15.3767 -15.3758 -15.3148 -15.3148 -15.3083 -15.3081 -10.2206 -10.2199 -10.2113 -10.2111 -5.2988 -5.2971 -5.2545 -5.2489 -5.0438 -5.0399 -5.0177 -5.0159 -1.0142 -1.0137 -0.7089 -0.6966 -0.6539 -0.6536 -0.5979 -0.5857 0.9222 0.9241 0.9524 0.9554 0.9877 0.9922 1.0994 1.1026 1.2928 1.2933 1.2966 1.3009 2.2494 2.2495 2.2600 2.2603 4.7299 4.7301 7.7382 7.7384 7.7865 7.7867 8.4813 8.4858 8.4954 8.4963 10.7428 10.7432 11.4918 11.4962 11.7680 11.7683 k = 0.0078 0.0134-0.0000 ( 4133 PWs) bands (ev): -18.8598 -18.8598 -16.7718 -16.7718 -16.7706 -16.7704 -15.3760 -15.3756 -15.3145 -15.3145 -15.3079 -15.3078 -10.2200 -10.2196 -10.2176 -10.2175 -5.2988 -5.2980 -5.2522 -5.2493 -5.0389 -5.0363 -5.0170 -5.0167 -1.0163 -1.0161 -0.6826 -0.6708 -0.6550 -0.6548 -0.6242 -0.6126 0.9358 0.9376 0.9608 0.9613 0.9912 0.9934 1.0926 1.0943 1.2897 1.2898 1.2931 1.2952 2.2477 2.2477 2.2581 2.2583 4.7270 4.7271 7.7465 7.7465 7.7947 7.7948 8.4733 8.4752 8.4817 8.4818 10.7333 10.7335 11.4993 11.5014 11.7828 11.7829 k = 0.0000 0.0000 0.0000 ( 4145 PWs) bands (ev): -18.8604 -18.8604 -16.7708 -16.7708 -16.7705 -16.7705 -15.3757 -15.3757 -15.3143 -15.3143 -15.3077 -15.3077 -10.2198 -10.2198 -10.2196 -10.2196 -5.2985 -5.2985 -5.2504 -5.2504 -5.0367 -5.0367 -5.0163 -5.0163 -1.0170 -1.0170 -0.6596 -0.6596 -0.6549 -0.6549 -0.6361 -0.6361 0.9404 0.9404 0.9648 0.9648 0.9933 0.9933 1.0901 1.0901 1.2885 1.2885 1.2928 1.2928 2.2470 2.2470 2.2576 2.2576 4.7261 4.7261 7.7493 7.7493 7.7976 7.7976 8.4717 8.4717 8.4763 8.4763 10.7302 10.7302 11.5024 11.5024 11.7872 11.7872 k = 0.0000 0.0000 0.0000 ( 4145 PWs) bands (ev): -18.8604 -18.8604 -16.7708 -16.7708 -16.7705 -16.7705 -15.3757 -15.3757 -15.3143 -15.3143 -15.3077 -15.3077 -10.2198 -10.2198 -10.2196 -10.2196 -5.2985 -5.2985 -5.2504 -5.2504 -5.0367 -5.0367 -5.0163 -5.0163 -1.0170 -1.0170 -0.6596 -0.6596 -0.6549 -0.6549 -0.6361 -0.6361 0.9404 0.9404 0.9648 0.9648 0.9933 0.9933 1.0901 1.0901 1.2885 1.2885 1.2928 1.2928 2.2470 2.2470 2.2576 2.2576 4.7261 4.7261 7.7493 7.7493 7.7976 7.7976 8.4717 8.4717 8.4763 8.4763 10.7302 10.7302 11.5024 11.5024 11.7872 11.7872 k = 0.0000 0.0000 0.0151 ( 4133 PWs) bands (ev): -18.8597 -18.8597 -16.8316 -16.8313 -16.7097 -16.7094 -15.3758 -15.3755 -15.3156 -15.3131 -15.3089 -15.3066 -10.3223 -10.3221 -10.1163 -10.1161 -5.3004 -5.2979 -5.2533 -5.2520 -5.0610 -5.0404 -5.0121 -4.9919 -1.0168 -1.0167 -0.6793 -0.6765 -0.6448 -0.6366 -0.6329 -0.6269 0.9360 0.9428 0.9605 0.9676 0.9875 0.9878 1.0962 1.0962 1.2791 1.2832 1.2950 1.2994 2.2386 2.2489 2.2577 2.2685 4.7286 4.7289 7.7062 7.7547 7.7932 7.8409 8.4453 8.4499 8.4966 8.5011 10.7313 10.7317 11.4834 11.4899 11.7809 11.7889 k = 0.0000 0.0000 0.0303 ( 4127 PWs) bands (ev): -18.8578 -18.8578 -16.8920 -16.8917 -16.6483 -16.6481 -15.3758 -15.3753 -15.3169 -15.3118 -15.3101 -15.3055 -10.4238 -10.4236 -10.0120 -10.0119 -5.3037 -5.2984 -5.2605 -5.2576 -5.0848 -5.0641 -4.9872 -4.9671 -1.0163 -1.0160 -0.6997 -0.6975 -0.6362 -0.6328 -0.6105 -0.6081 0.9294 0.9421 0.9547 0.9689 0.9732 0.9749 1.1115 1.1116 1.2668 1.2708 1.2985 1.3031 2.2326 2.2426 2.2704 2.2813 4.7364 4.7370 7.6645 7.7132 7.8371 7.8841 8.4169 8.4212 8.5207 8.5248 10.7348 10.7359 11.4369 11.4485 11.7772 11.7849 k = 0.0000 0.0000 0.0454 ( 4127 PWs) bands (ev): -18.8546 -18.8546 -16.9520 -16.9517 -16.5868 -16.5865 -15.3758 -15.3750 -15.3182 -15.3113 -15.3106 -15.3044 -10.5243 -10.5241 -9.9070 -9.9069 -5.3092 -5.3006 -5.2717 -5.2666 -5.1081 -5.0873 -4.9619 -4.9422 -1.0153 -1.0149 -0.7198 -0.7179 -0.6271 -0.6255 -0.5879 -0.5864 0.9206 0.9356 0.9474 0.9552 0.9617 0.9686 1.1317 1.1320 1.2518 1.2556 1.2993 1.3041 2.2291 2.2389 2.2846 2.2956 4.7494 4.7503 7.6247 7.6734 7.8801 7.9260 8.3860 8.3900 8.5449 8.5482 10.7405 10.7422 11.3712 11.3861 11.7762 11.7836 k = 0.0000 0.0000 0.0606 ( 4127 PWs) bands (ev): -18.8501 -18.8500 -17.0116 -17.0113 -16.5251 -16.5249 -15.3757 -15.3746 -15.3196 -15.3125 -15.3094 -15.3033 -10.6236 -10.6234 -9.8013 -9.8012 -5.3180 -5.3060 -5.2852 -5.2777 -5.1310 -5.1099 -4.9365 -4.9170 -1.0138 -1.0134 -0.7393 -0.7375 -0.6157 -0.6151 -0.5652 -0.5641 0.9087 0.9202 0.9363 0.9385 0.9539 0.9668 1.1546 1.1550 1.2342 1.2380 1.2976 1.3024 2.2283 2.2377 2.2999 2.3109 4.7676 4.7688 7.5875 7.6361 7.9212 7.9656 8.3523 8.3561 8.5701 8.5723 10.7472 10.7498 11.2942 11.3109 11.7780 11.7849 k = 0.0000 0.0000 0.0757 ( 4115 PWs) bands (ev): -18.8443 -18.8442 -17.0706 -17.0703 -16.4634 -16.4632 -15.3755 -15.3742 -15.3209 -15.3137 -15.3082 -15.3023 -10.7217 -10.7214 -9.6950 -9.6949 -5.3324 -5.3201 -5.2954 -5.2886 -5.1533 -5.1320 -4.9109 -4.8918 -1.0119 -1.0113 -0.7581 -0.7563 -0.6018 -0.6016 -0.5425 -0.5416 0.8929 0.8993 0.9188 0.9282 0.9490 0.9636 1.1791 1.1792 1.2143 1.2187 1.2936 1.2985 2.2299 2.2389 2.3158 2.3268 4.7909 4.7923 7.5532 7.6014 7.9593 8.0019 8.3158 8.3193 8.5975 8.5980 10.7530 10.7571 11.2124 11.2297 11.7824 11.7890 k = 0.0000 0.0000 0.0909 ( 4121 PWs) bands (ev): -18.8372 -18.8371 -17.1291 -17.1288 -16.4018 -16.4015 -15.3753 -15.3737 -15.3223 -15.3150 -15.3070 -15.3013 -10.8184 -10.8181 -9.5881 -9.5880 -5.3537 -5.3440 -5.3012 -5.2978 -5.1751 -5.1535 -4.8853 -4.8665 -1.0094 -1.0087 -0.7760 -0.7741 -0.5858 -0.5850 -0.5201 -0.5192 0.8730 0.8763 0.9030 0.9163 0.9441 0.9590 1.1920 1.1924 1.2048 1.2100 1.2878 1.2927 2.2337 2.2424 2.3318 2.3428 4.8190 4.8207 7.5221 7.5700 7.9933 8.0338 8.2764 8.2796 8.6266 8.6282 10.7539 10.7605 11.1331 11.1493 11.7897 11.7958 k = 0.0000 0.0000 0.1060 ( 4133 PWs) bands (ev): -18.8288 -18.8288 -17.1870 -17.1867 -16.3403 -16.3400 -15.3750 -15.3732 -15.3236 -15.3163 -15.3058 -15.3003 -10.9136 -10.9134 -9.4807 -9.4807 -5.3814 -5.3740 -5.3059 -5.3056 -5.1962 -5.1744 -4.8597 -4.8413 -1.0063 -1.0055 -0.7929 -0.7911 -0.5672 -0.5659 -0.4981 -0.4971 0.8508 0.8524 0.8877 0.9028 0.9385 0.9531 1.1687 1.1708 1.2314 1.2348 1.2805 1.2856 2.2396 2.2479 2.3475 2.3585 4.8518 4.8539 7.4945 7.5419 8.0220 8.0604 8.2340 8.2374 8.6588 8.6631 10.7417 10.7526 11.0661 11.0792 11.7996 11.8053 k = 0.0000 0.0000 0.1212 ( 4127 PWs) bands (ev): -18.8192 -18.8191 -17.2442 -17.2440 -16.2790 -16.2787 -15.3747 -15.3726 -15.3250 -15.3176 -15.3047 -15.2994 -11.0073 -11.0070 -9.3729 -9.3729 -5.4148 -5.4090 -5.3128 -5.3107 -5.2166 -5.1945 -4.8342 -4.8163 -1.0027 -1.0017 -0.8089 -0.8069 -0.5463 -0.5445 -0.4765 -0.4755 0.8274 0.8281 0.8718 0.8879 0.9321 0.9461 1.1437 1.1459 1.2571 1.2630 1.2721 1.2793 2.2473 2.2552 2.3624 2.3733 4.8893 4.8916 7.4707 7.5174 8.0443 8.0812 8.1889 8.1933 8.6956 8.7027 10.7051 10.7218 11.0241 11.0324 11.8122 11.8175 k = 0.0000 0.0000 0.1363 ( 4126 PWs) bands (ev): -18.8082 -18.8082 -17.3009 -17.3006 -16.2181 -16.2178 -15.3743 -15.3719 -15.3263 -15.3189 -15.3036 -15.2985 -11.0993 -11.0990 -9.2648 -9.2648 -5.4531 -5.4486 -5.3198 -5.3157 -5.2363 -5.2139 -4.8088 -4.7914 -0.9985 -0.9973 -0.8238 -0.8218 -0.5231 -0.5210 -0.4557 -0.4546 0.8036 0.8037 0.8549 0.8713 0.9250 0.9381 1.1174 1.1196 1.2629 1.2633 1.2924 1.2929 2.2564 2.2639 2.3760 2.3868 4.9310 4.9336 7.4507 7.4966 8.0578 8.0959 8.1413 8.1494 8.7373 8.7474 10.6398 10.6615 11.0122 11.0163 11.8274 11.8323 k = 0.0000 0.0000 0.1515 ( 4114 PWs) bands (ev): -18.7960 -18.7960 -17.3568 -17.3565 -16.1576 -16.1574 -15.3738 -15.3712 -15.3277 -15.3202 -15.3026 -15.2976 -11.1894 -11.1891 -9.1564 -9.1564 -5.4960 -5.4924 -5.3269 -5.3212 -5.2552 -5.2325 -4.7838 -4.7669 -0.9938 -0.9924 -0.8376 -0.8355 -0.4980 -0.4955 -0.4357 -0.4345 0.7794 0.7797 0.8367 0.8531 0.9174 0.9294 1.0903 1.0924 1.2533 1.2546 1.3217 1.3231 2.2666 2.2737 2.3881 2.3987 4.9769 4.9797 7.4347 7.4795 8.0543 8.0917 8.1050 8.1145 8.7840 8.7970 10.5534 10.5780 11.0231 11.0251 11.8449 11.8494 k = 0.0000 0.0000 0.1666 ( 4132 PWs) bands (ev): -18.7826 -18.7825 -17.4120 -17.4117 -16.0978 -16.0975 -15.3733 -15.3704 -15.3291 -15.3215 -15.3016 -15.2968 -11.2775 -11.2772 -9.0477 -9.0477 -5.5433 -5.5404 -5.3341 -5.3269 -5.2733 -5.2503 -4.7591 -4.7427 -0.9886 -0.9870 -0.8503 -0.8482 -0.4710 -0.4682 -0.4168 -0.4154 0.7554 0.7560 0.8170 0.8333 0.9093 0.9204 1.0625 1.0645 1.2434 1.2445 1.3528 1.3548 2.2776 2.2844 2.3981 2.4087 5.0267 5.0298 7.4223 7.4657 8.0212 8.0406 8.1021 8.1088 8.8353 8.8508 10.4551 10.4813 11.0483 11.0492 11.8647 11.8689 k = 0.0000 0.0000 0.1818 ( 4132 PWs) bands (ev): -18.7678 -18.7677 -17.4665 -17.4662 -16.0387 -16.0385 -15.3727 -15.3696 -15.3305 -15.3229 -15.3006 -15.2960 -11.3635 -11.3632 -8.9389 -8.9389 -5.5946 -5.5923 -5.3414 -5.3330 -5.2905 -5.2673 -4.7348 -4.7191 -0.9829 -0.9812 -0.8619 -0.8597 -0.4424 -0.4393 -0.3990 -0.3975 0.7320 0.7327 0.7959 0.8119 0.9013 0.9112 1.0343 1.0362 1.2334 1.2341 1.3852 1.3876 2.2892 2.2957 2.4058 2.4163 5.0802 5.0835 7.4131 7.4547 7.9732 7.9889 8.0988 8.1081 8.8907 8.9085 10.3503 10.3775 11.0824 11.0830 11.8866 11.8905 k = 0.0000 0.0000 0.1969 ( 4132 PWs) bands (ev): -18.7518 -18.7517 -17.5202 -17.5199 -15.9806 -15.9803 -15.3721 -15.3687 -15.3319 -15.3242 -15.2996 -15.2953 -11.4471 -11.4469 -8.8301 -8.8300 -5.6499 -5.6481 -5.3488 -5.3393 -5.3068 -5.2835 -4.7111 -4.6960 -0.9770 -0.9751 -0.8723 -0.8701 -0.4122 -0.4090 -0.3825 -0.3807 0.7093 0.7101 0.7733 0.7889 0.8934 0.9022 1.0060 1.0076 1.2235 1.2236 1.4187 1.4215 2.3012 2.3073 2.4110 2.4214 5.1372 5.1407 7.4064 7.4456 7.9219 7.9380 8.0949 8.1038 8.9495 8.9692 10.2418 10.2697 11.1229 11.1234 11.9105 11.9140 k = 0.0000 0.0000 0.2121 ( 4120 PWs) bands (ev): -18.7346 -18.7345 -17.5730 -17.5728 -15.9235 -15.9233 -15.3714 -15.3678 -15.3332 -15.3256 -15.2987 -15.2946 -11.5283 -11.5280 -8.7211 -8.7211 -5.7089 -5.7075 -5.3563 -5.3457 -5.3221 -5.2987 -4.6880 -4.6735 -0.9708 -0.9687 -0.8817 -0.8793 -0.3806 -0.3781 -0.3674 -0.3645 0.6875 0.6885 0.7492 0.7643 0.8861 0.8938 0.9776 0.9790 1.2131 1.2136 1.4532 1.4565 2.3132 2.3191 2.4135 2.4237 5.1974 5.2011 7.4006 7.4366 7.8716 7.8898 8.0887 8.0964 9.0110 9.0322 10.1311 10.1597 11.1684 11.1688 11.9360 11.9393 k = 0.0000 0.0000 0.2272 ( 4120 PWs) bands (ev): -18.7160 -18.7160 -17.6251 -17.6249 -15.8678 -15.8676 -15.3706 -15.3668 -15.3346 -15.3270 -15.2978 -15.2939 -11.6067 -11.6064 -8.6123 -8.6122 -5.7715 -5.7704 -5.3639 -5.3522 -5.3366 -5.3131 -4.6656 -4.6519 -0.9645 -0.9622 -0.8899 -0.8874 -0.3546 -0.3538 -0.3478 -0.3412 0.6670 0.6678 0.7237 0.7382 0.8795 0.8861 0.9493 0.9506 1.2028 1.2038 1.4888 1.4924 2.3252 2.3307 2.4130 2.4232 5.2606 5.2645 7.3934 7.4251 7.8253 7.8473 8.0805 8.0868 9.0747 9.0968 10.0192 10.0483 11.2181 11.2185 11.9630 11.9661 k = 0.0000 0.0000 0.2424 ( 4132 PWs) bands (ev): -18.6963 -18.6962 -17.6763 -17.6761 -15.8136 -15.8134 -15.3699 -15.3658 -15.3360 -15.3284 -15.2970 -15.2933 -11.6821 -11.6819 -8.5035 -8.5034 -5.8374 -5.8366 -5.3714 -5.3587 -5.3501 -5.3265 -4.6441 -4.6311 -0.9582 -0.9557 -0.8970 -0.8945 -0.3418 -0.3413 -0.3138 -0.3081 0.6478 0.6484 0.6969 0.7105 0.8739 0.8795 0.9214 0.9224 1.1926 1.1941 1.5253 1.5292 2.3369 2.3422 2.4096 2.4196 5.3266 5.3307 7.3814 7.4076 7.7871 7.8140 8.0705 8.0754 9.1397 9.1625 9.9067 9.9362 11.2713 11.2718 11.9430 11.9642 k = 0.0000 0.0000 0.2575 ( 4132 PWs) bands (ev): -18.6753 -18.6752 -17.7267 -17.7264 -15.7612 -15.7610 -15.3690 -15.3648 -15.3374 -15.3298 -15.2962 -15.2928 -11.7544 -11.7541 -8.3949 -8.3947 -5.9066 -5.9061 -5.3787 -5.3652 -5.3626 -5.3391 -4.6235 -4.6112 -0.9520 -0.9493 -0.9030 -0.9004 -0.3313 -0.3305 -0.2789 -0.2731 0.6302 0.6302 0.6691 0.6814 0.8694 0.8739 0.8938 0.8945 1.1826 1.1846 1.5627 1.5669 2.3482 2.3532 2.4032 2.4130 5.3953 5.3995 7.3603 7.3805 7.7613 7.7940 8.0593 8.0629 9.2055 9.2286 9.7941 9.8239 11.3277 11.3283 11.8737 11.8956 k = 0.0000 0.0000 0.2727 ( 4150 PWs) bands (ev): -18.6531 -18.6530 -17.7762 -17.7759 -15.7108 -15.7106 -15.3681 -15.3637 -15.3388 -15.3312 -15.2954 -15.2922 -11.8232 -11.8229 -8.2865 -8.2863 -5.9789 -5.9785 -5.3860 -5.3742 -5.3716 -5.3506 -4.6039 -4.5925 -0.9460 -0.9432 -0.9080 -0.9054 -0.3224 -0.3215 -0.2432 -0.2371 0.6129 0.6144 0.6409 0.6511 0.8654 0.8662 0.8672 0.8710 1.1728 1.1751 1.6008 1.6054 2.3589 2.3637 2.3937 2.4033 5.4663 5.4707 7.3269 7.3418 7.7513 7.7893 8.0474 8.0498 9.2714 9.2945 9.6817 9.7118 11.3868 11.3875 11.8045 11.8264 k = 0.0000 0.0000 0.2878 ( 4150 PWs) bands (ev): -18.6297 -18.6295 -17.8247 -17.8245 -15.6627 -15.6625 -15.3672 -15.3625 -15.3402 -15.3326 -15.2947 -15.2918 -11.8882 -11.8880 -8.1784 -8.1782 -6.0540 -6.0539 -5.3930 -5.3847 -5.3778 -5.3613 -4.5854 -4.5748 -0.9404 -0.9374 -0.9121 -0.9093 -0.3150 -0.3140 -0.2067 -0.2003 0.5941 0.6005 0.6149 0.6196 0.8395 0.8403 0.8642 0.8675 1.1632 1.1659 1.6396 1.6446 2.3682 2.3737 2.3820 2.3906 5.5395 5.5440 7.2809 7.2917 7.7578 7.7998 8.0353 8.0363 9.3370 9.3592 9.5702 9.6001 11.4484 11.4492 11.7365 11.7581 k = 0.0000 0.0000 0.3030 ( 4174 PWs) bands (ev): -18.6050 -18.6049 -17.8723 -17.8721 -15.6172 -15.6171 -15.3662 -15.3614 -15.3415 -15.3341 -15.2941 -15.2914 -11.9492 -11.9490 -8.0708 -8.0706 -6.1320 -6.1319 -5.3997 -5.3943 -5.3838 -5.3710 -4.5681 -4.5584 -0.9353 -0.9321 -0.9152 -0.9124 -0.3090 -0.3080 -0.1695 -0.1628 0.5687 0.5871 0.5888 0.5965 0.8133 0.8141 0.8636 0.8661 1.1538 1.1567 1.6790 1.6843 2.3638 2.3749 2.3804 2.3829 5.6146 5.6193 7.2240 7.2322 7.7787 7.8235 8.0229 8.0234 9.4015 9.4171 9.4650 9.4891 11.5120 11.5129 11.6703 11.6914 k = 0.0000 0.0000 0.3181 ( 4162 PWs) bands (ev): -18.5791 -18.5790 -17.9190 -17.9188 -15.5746 -15.5745 -15.3652 -15.3602 -15.3429 -15.3355 -15.2935 -15.2910 -12.0058 -12.0056 -7.9635 -7.9633 -6.2126 -6.2125 -5.4061 -5.4029 -5.3894 -5.3797 -4.5521 -4.5433 -0.9307 -0.9274 -0.9175 -0.9146 -0.3042 -0.3033 -0.1319 -0.1248 0.5379 0.5536 0.5793 0.5849 0.7878 0.7885 0.8642 0.8660 1.1447 1.1478 1.7189 1.7245 2.3460 2.3563 2.3885 2.3914 5.6916 5.6964 7.1590 7.1657 7.8113 7.8584 8.0099 8.0122 9.3446 9.3791 9.4644 9.4892 11.5772 11.5784 11.6066 11.6270 k = 0.0000 0.0000 0.3333 ( 4162 PWs) bands (ev): -18.5521 -18.5520 -17.9647 -17.9645 -15.5352 -15.5352 -15.3641 -15.3589 -15.3442 -15.3369 -15.2929 -15.2907 -12.0576 -12.0575 -7.8569 -7.8566 -6.2957 -6.2955 -5.4121 -5.4104 -5.3946 -5.3875 -4.5375 -4.5296 -0.9267 -0.9232 -0.9189 -0.9161 -0.3006 -0.2997 -0.0938 -0.0864 0.5049 0.5193 0.5722 0.5769 0.7630 0.7637 0.8658 0.8670 1.1360 1.1391 1.7591 1.7651 2.3249 2.3349 2.3964 2.3991 5.7702 5.7751 7.0881 7.0939 7.8528 7.9023 7.9975 8.0026 9.2365 9.2703 9.5250 9.5475 11.5460 11.5654 11.6437 11.6450 k = 0.0000 0.0000 0.3484 ( 4174 PWs) bands (ev): -18.5238 -18.5237 -18.0094 -18.0092 -15.4995 -15.4995 -15.3630 -15.3577 -15.3455 -15.3383 -15.2924 -15.2905 -12.1045 -12.1043 -7.7508 -7.7505 -6.3811 -6.3809 -5.4179 -5.4167 -5.3994 -5.3943 -4.5243 -4.5173 -0.9234 -0.9197 -0.9196 -0.9169 -0.2979 -0.2971 -0.0554 -0.0476 0.4708 0.4843 0.5676 0.5718 0.7389 0.7398 0.8683 0.8690 1.1277 1.1307 1.7996 1.8059 2.3011 2.3109 2.4035 2.4060 5.8502 5.8552 7.0130 7.0184 7.8993 7.9540 7.9860 7.9970 9.1290 9.1629 9.5824 9.6032 11.4891 11.5073 11.7110 11.7124 k = 0.0000 0.0000 0.3636 ( 4174 PWs) bands (ev): -18.4944 -18.4943 -18.0532 -18.0530 -15.4677 -15.4676 -15.3619 -15.3564 -15.3468 -15.3398 -15.2920 -15.2903 -12.1459 -12.1458 -7.6454 -7.6451 -6.4687 -6.4684 -5.4233 -5.4219 -5.4037 -5.4002 -4.5127 -4.5067 -0.9213 -0.9193 -0.9171 -0.9168 -0.2960 -0.2953 -0.0169 -0.0087 0.4358 0.4487 0.5655 0.5693 0.7158 0.7168 0.8714 0.8717 1.1200 1.1229 1.8402 1.8468 2.2749 2.2845 2.4097 2.4119 5.9315 5.9365 6.9348 6.9399 7.9395 7.9756 8.0057 8.0125 9.0230 9.0572 9.6357 9.6547 11.4369 11.4536 11.7783 11.7800 k = 0.0000 0.0000 0.3787 ( 4174 PWs) bands (ev): -18.4638 -18.4636 -18.0959 -18.0957 -15.4401 -15.4401 -15.3606 -15.3551 -15.3481 -15.3412 -15.2916 -15.2902 -12.1817 -12.1815 -7.5408 -7.5405 -6.5583 -6.5580 -5.4279 -5.4263 -5.4075 -5.4051 -4.5026 -4.4976 -0.9205 -0.9179 -0.9168 -0.9147 -0.2948 -0.2941 0.0218 0.0304 0.4001 0.4125 0.5659 0.5695 0.6937 0.6949 0.8747 0.8749 1.1130 1.1156 1.8807 1.8876 2.2464 2.2559 2.4151 2.4170 6.0138 6.0189 6.8544 6.8594 7.9526 7.9665 8.0489 8.0770 8.9188 8.9534 9.6840 9.7007 11.3904 11.4051 11.8451 11.8471 k = 0.0000 0.0000 0.3939 ( 4174 PWs) bands (ev): -18.4320 -18.4319 -18.1375 -18.1373 -15.4172 -15.4170 -15.3593 -15.3538 -15.3493 -15.3426 -15.2913 -15.2901 -12.2114 -12.2113 -7.4371 -7.4367 -6.6498 -6.6494 -5.4316 -5.4300 -5.4106 -5.4091 -4.4943 -4.4902 -0.9198 -0.9166 -0.9162 -0.9132 -0.2940 -0.2934 0.0606 0.0695 0.3639 0.3758 0.5689 0.5722 0.6728 0.6742 0.8781 0.8781 1.1070 1.1092 1.9210 1.9282 2.2159 2.2251 2.4196 2.4211 6.0970 6.1022 6.7724 6.7773 7.9515 7.9588 8.1132 8.1469 8.8168 8.8517 9.7262 9.7403 11.3504 11.3629 11.9105 11.9128 k = 0.0000 0.0000 0.4090 ( 4180 PWs) bands (ev): -18.3991 -18.3990 -18.1782 -18.1780 -15.3991 -15.3989 -15.3579 -15.3524 -15.3505 -15.3440 -15.2910 -15.2901 -12.2348 -12.2347 -7.3343 -7.3340 -6.7431 -6.7427 -5.4344 -5.4330 -5.4131 -5.4122 -4.4876 -4.4845 -0.9189 -0.9159 -0.9154 -0.9124 -0.2935 -0.2931 0.0993 0.1086 0.3271 0.3386 0.5743 0.5774 0.6533 0.6549 0.8810 0.8812 1.1020 1.1038 1.9610 1.9685 2.1835 2.1925 2.4231 2.4242 6.1810 6.1861 6.6891 6.6941 7.9482 7.9525 8.1861 8.2217 8.7171 8.7524 9.7612 9.7722 11.3183 11.3281 11.9734 11.9760 k = 0.0000 0.0000 0.4242 ( 4180 PWs) bands (ev): -18.3651 -18.3649 -18.2177 -18.2175 -15.3861 -15.3859 -15.3564 -15.3515 -15.3511 -15.3455 -15.2908 -15.2902 -12.2517 -12.2517 -7.2326 -7.2322 -6.8381 -6.8377 -5.4363 -5.4353 -5.4149 -5.4144 -4.4826 -4.4805 -0.9180 -0.9156 -0.9144 -0.9121 -0.2932 -0.2929 0.1379 0.1475 0.2899 0.3010 0.5822 0.5851 0.6353 0.6372 0.8834 0.8836 1.0984 1.0997 2.0004 2.0082 2.1494 2.1582 2.4257 2.4264 6.2655 6.2706 6.6050 6.6100 7.9454 7.9479 8.2647 8.3009 8.6201 8.6558 9.7877 9.7953 11.2949 11.3017 12.0325 12.0355 k = 0.0000 0.0000 0.4393 ( 4174 PWs) bands (ev): -18.3299 -18.3297 -18.2562 -18.2560 -15.3784 -15.3782 -15.3549 -15.3525 -15.3497 -15.3469 -15.2906 -15.2903 -12.2619 -12.2619 -7.1320 -7.1316 -6.9346 -6.9343 -5.4373 -5.4368 -5.4160 -5.4158 -4.4794 -4.4784 -0.9171 -0.9158 -0.9135 -0.9122 -0.2931 -0.2929 0.1763 0.1863 0.2524 0.2631 0.5923 0.5950 0.6191 0.6212 0.8850 0.8851 1.0963 1.0970 2.0392 2.0473 2.1138 2.1224 2.4273 2.4277 6.3503 6.3555 6.5203 6.5254 7.9437 7.9449 8.3479 8.3843 8.5260 8.5620 9.8049 9.8088 11.2812 11.2847 12.0863 12.0901 k = 0.0000 0.0000 0.4544 ( 4198 PWs) bands (ev): -18.2936 -18.2936 -18.2934 -18.2934 -15.3757 -15.3757 -15.3535 -15.3535 -15.3483 -15.3483 -15.2905 -15.2905 -12.2653 -12.2653 -7.0327 -7.0327 -7.0323 -7.0323 -5.4375 -5.4375 -5.4163 -5.4163 -4.4780 -4.4780 -0.9163 -0.9163 -0.9127 -0.9127 -0.2930 -0.2930 0.2145 0.2145 0.2248 0.2248 0.6047 0.6047 0.6071 0.6071 0.8856 0.8856 1.0958 1.0958 2.0770 2.0770 2.0854 2.0854 2.4280 2.4280 6.4353 6.4353 6.4404 6.4404 7.9435 7.9435 8.4351 8.4351 8.4714 8.4714 9.8120 9.8120 11.2777 11.2777 12.1330 12.1358 k = 0.0000 0.0000 0.4544 ( 4198 PWs) bands (ev): -18.2936 -18.2936 -18.2934 -18.2934 -15.3757 -15.3757 -15.3535 -15.3535 -15.3483 -15.3483 -15.2905 -15.2905 -12.2653 -12.2653 -7.0327 -7.0327 -7.0323 -7.0323 -5.4375 -5.4375 -5.4163 -5.4163 -4.4780 -4.4780 -0.9163 -0.9163 -0.9127 -0.9127 -0.2930 -0.2930 0.2145 0.2145 0.2248 0.2248 0.6047 0.6047 0.6071 0.6071 0.8856 0.8856 1.0958 1.0958 2.0770 2.0770 2.0854 2.0854 2.4280 2.4280 6.4353 6.4353 6.4404 6.4404 7.9435 7.9435 8.4351 8.4351 8.4714 8.4714 9.8120 9.8120 11.2777 11.2777 12.1344 12.1349 k = 0.0135 0.0078 0.4544 ( 4174 PWs) bands (ev): -18.2934 -18.2934 -18.2928 -18.2928 -15.3765 -15.3755 -15.3557 -15.3548 -15.3495 -15.3492 -15.2906 -15.2905 -12.2618 -12.2618 -7.0348 -7.0345 -7.0331 -7.0321 -5.4367 -5.4366 -5.4156 -5.4153 -4.4789 -4.4779 -0.9170 -0.9170 -0.9135 -0.9131 -0.2927 -0.2927 0.2131 0.2131 0.2231 0.2237 0.6060 0.6064 0.6088 0.6092 0.8861 0.8867 1.0964 1.0967 2.0763 2.0765 2.0847 2.0847 2.4278 2.4280 6.4330 6.4337 6.4385 6.4386 7.9417 7.9469 8.4363 8.4409 8.4748 8.4750 9.8115 9.8137 11.2760 11.2763 12.1345 12.1387 k = 0.0270 0.0156 0.4544 ( 4172 PWs) bands (ev): -18.2931 -18.2930 -18.2906 -18.2906 -15.3778 -15.3759 -15.3627 -15.3621 -15.3510 -15.3495 -15.2910 -15.2907 -12.2512 -12.2511 -7.0413 -7.0406 -7.0344 -7.0322 -5.4343 -5.4342 -5.4133 -5.4127 -4.4807 -4.4786 -0.9197 -0.9195 -0.9148 -0.9141 -0.2920 -0.2919 0.2088 0.2089 0.2186 0.2197 0.6099 0.6114 0.6137 0.6157 0.8882 0.8894 1.0985 1.0991 2.0741 2.0745 2.0827 2.0829 2.4274 2.4277 6.4259 6.4275 6.4334 6.4339 7.9416 7.9517 8.4439 8.4520 8.4850 8.4866 9.8122 9.8165 11.2710 11.2716 12.1367 12.1405 k = 0.0405 0.0234 0.4544 ( 4176 PWs) bands (ev): -18.2925 -18.2924 -18.2870 -18.2870 -15.3819 -15.3803 -15.3730 -15.3723 -15.3519 -15.3492 -15.2917 -15.2911 -12.2336 -12.2336 -7.0520 -7.0509 -7.0361 -7.0328 -5.4304 -5.4301 -5.4093 -5.4084 -4.4833 -4.4801 -0.9248 -0.9245 -0.9161 -0.9152 -0.2908 -0.2906 0.2020 0.2023 0.2117 0.2134 0.6158 0.6193 0.6219 0.6262 0.8920 0.8938 1.1020 1.1029 2.0705 2.0711 2.0795 2.0801 2.4267 2.4272 6.4135 6.4160 6.4264 6.4272 7.9436 7.9580 8.4567 8.4667 8.5029 8.5078 9.8140 9.8204 11.2630 11.2639 12.1380 12.1412 k = 0.0541 0.0312 0.4544 ( 4168 PWs) bands (ev): -18.2917 -18.2916 -18.2820 -18.2819 -15.3978 -15.3975 -15.3778 -15.3749 -15.3524 -15.3488 -15.2926 -15.2918 -12.2094 -12.2093 -7.0668 -7.0653 -7.0382 -7.0338 -5.4252 -5.4245 -5.4039 -5.4024 -4.4867 -4.4824 -0.9321 -0.9316 -0.9176 -0.9164 -0.2890 -0.2887 0.1928 0.1935 0.2029 0.2053 0.6232 0.6281 0.6342 0.6400 0.8975 0.8998 1.1069 1.1081 2.0651 2.0662 2.0752 2.0764 2.4258 2.4265 6.3964 6.3995 6.4175 6.4185 7.9478 7.9660 8.4729 8.4839 8.5295 8.5385 9.8171 9.8257 11.2523 11.2535 12.1332 12.1365 k = 0.0676 0.0390 0.4544 ( 4166 PWs) bands (ev): -18.2907 -18.2905 -18.2755 -18.2754 -15.4218 -15.4216 -15.3799 -15.3761 -15.3528 -15.3484 -15.2937 -15.2927 -12.1787 -12.1786 -7.0856 -7.0837 -7.0407 -7.0352 -5.4186 -5.4173 -5.3970 -5.3947 -4.4909 -4.4855 -0.9413 -0.9406 -0.9194 -0.9181 -0.2867 -0.2863 0.1818 0.1832 0.1927 0.1959 0.6316 0.6375 0.6499 0.6567 0.9048 0.9076 1.1132 1.1147 2.0582 2.0598 2.0699 2.0717 2.4247 2.4255 6.3750 6.3789 6.4069 6.4080 7.9544 7.9758 8.4918 8.5039 8.5644 8.5773 9.8215 9.8322 11.2391 11.2406 12.1196 12.1241 k = 0.0811 0.0468 0.4544 ( 4166 PWs) bands (ev): -18.2895 -18.2893 -18.2676 -18.2675 -15.4508 -15.4506 -15.3818 -15.3774 -15.3531 -15.3481 -15.2950 -15.2939 -12.1419 -12.1418 -7.1082 -7.1060 -7.0435 -7.0370 -5.4110 -5.4088 -5.3886 -5.3853 -4.4958 -4.4895 -0.9521 -0.9514 -0.9218 -0.9202 -0.2837 -0.2834 0.1693 0.1716 0.1816 0.1856 0.6403 0.6471 0.6684 0.6759 0.9138 0.9171 1.1207 1.1225 2.0499 2.0520 2.0635 2.0660 2.4233 2.4242 6.3500 6.3545 6.3948 6.3961 7.9634 7.9876 8.5135 8.5268 8.6067 8.6226 9.8274 9.8402 11.2238 11.2255 12.0920 12.0967 k = 0.0946 0.0546 0.4544 ( 4166 PWs) bands (ev): -18.2881 -18.2878 -18.2583 -18.2582 -15.4843 -15.4840 -15.3838 -15.3790 -15.3533 -15.3478 -15.2966 -15.2952 -12.0995 -12.0993 -7.1346 -7.1321 -7.0467 -7.0393 -5.4024 -5.3990 -5.3788 -5.3743 -4.5015 -4.4942 -0.9644 -0.9636 -0.9247 -0.9230 -0.2802 -0.2799 0.1557 0.1591 0.1702 0.1751 0.6489 0.6563 0.6891 0.6972 0.9246 0.9282 1.1293 1.1314 2.0404 2.0429 2.0560 2.0590 2.4216 2.4226 6.3219 6.3270 6.3818 6.3831 7.9750 8.0013 8.5381 8.5527 8.6551 8.6732 9.8349 9.8497 11.2068 11.2088 12.0535 12.0580 k = 0.1081 0.0624 0.4544 ( 4162 PWs) bands (ev): -18.2864 -18.2861 -18.2476 -18.2474 -15.5217 -15.5215 -15.3858 -15.3807 -15.3536 -15.3477 -15.2983 -15.2968 -12.0517 -12.0515 -7.1646 -7.1619 -7.0501 -7.0418 -5.3930 -5.3883 -5.3675 -5.3617 -4.5079 -4.4996 -0.9780 -0.9771 -0.9283 -0.9264 -0.2761 -0.2757 0.1415 0.1458 0.1589 0.1647 0.6569 0.6648 0.7116 0.7202 0.9369 0.9407 1.1391 1.1415 2.0300 2.0329 2.0470 2.0506 2.4197 2.4208 6.2912 6.2969 6.3680 6.3695 7.9889 8.0171 8.5654 8.5815 8.7083 8.7281 9.8443 9.8611 11.1885 11.1907 12.0078 12.0122 k = 0.1216 0.0702 0.4544 ( 4158 PWs) bands (ev): -18.2846 -18.2843 -18.2354 -18.2353 -15.5627 -15.5625 -15.3880 -15.3826 -15.3539 -15.3476 -15.3002 -15.2985 -11.9990 -11.9989 -7.1980 -7.1951 -7.0537 -7.0447 -5.3828 -5.3767 -5.3548 -5.3476 -4.5150 -4.5058 -0.9925 -0.9916 -0.9327 -0.9306 -0.2712 -0.2708 0.1268 0.1318 0.1484 0.1549 0.6642 0.6725 0.7355 0.7444 0.9506 0.9546 1.1499 1.1525 2.0188 2.0221 2.0364 2.0406 2.4176 2.4188 6.2585 6.2647 6.3541 6.3556 8.0051 8.0349 8.5955 8.6129 8.7651 8.7861 9.8557 9.8743 11.1692 11.1715 11.9570 11.9613 k = 0.1351 0.0780 0.4544 ( 4160 PWs) bands (ev): -18.2826 -18.2823 -18.2219 -18.2217 -15.6069 -15.6067 -15.3904 -15.3848 -15.3542 -15.3477 -15.3021 -15.3003 -11.9420 -11.9417 -7.2347 -7.2316 -7.0576 -7.0479 -5.3721 -5.3647 -5.3406 -5.3321 -4.5227 -4.5127 -1.0079 -1.0068 -0.9379 -0.9357 -0.2656 -0.2651 0.1118 0.1171 0.1391 0.1460 0.6706 0.6791 0.7603 0.7695 0.9653 0.9694 1.1616 1.1645 2.0071 2.0107 2.0242 2.0289 2.4154 2.4166 6.2243 6.2309 6.3403 6.3417 8.0234 8.0547 8.6280 8.6467 8.8245 8.8464 9.8694 9.8898 11.1491 11.1516 11.9023 11.9066 k = 0.1486 0.0858 0.4544 ( 4156 PWs) bands (ev): -18.2805 -18.2801 -18.2070 -18.2068 -15.6539 -15.6536 -15.3928 -15.3872 -15.3546 -15.3479 -15.3042 -15.3022 -11.8808 -11.8806 -7.2745 -7.2713 -7.0616 -7.0513 -5.3609 -5.3523 -5.3249 -5.3154 -4.5311 -4.5203 -1.0238 -1.0227 -0.9439 -0.9416 -0.2592 -0.2587 0.0965 0.1018 0.1312 0.1383 0.6762 0.6848 0.7856 0.7952 0.9806 0.9848 1.1742 1.1775 1.9950 1.9989 2.0102 2.0153 2.4131 2.4144 6.1890 6.1960 6.3270 6.3284 8.0437 8.0762 8.6626 8.6825 8.8855 8.9082 9.8856 9.9078 11.1286 11.1313 11.8448 11.8490 k = 0.1622 0.0936 0.4544 ( 4148 PWs) bands (ev): -18.2782 -18.2778 -18.1908 -18.1906 -15.7033 -15.7030 -15.3954 -15.3897 -15.3550 -15.3483 -15.3063 -15.3042 -11.8161 -11.8158 -7.3173 -7.3140 -7.0657 -7.0550 -5.3493 -5.3397 -5.3080 -5.2976 -4.5400 -4.5284 -1.0400 -1.0389 -0.9509 -0.9485 -0.2521 -0.2514 0.0811 0.0863 0.1249 0.1321 0.6808 0.6895 0.8112 0.8210 0.9962 1.0005 1.1878 1.1913 1.9827 1.9869 1.9943 1.9999 2.4109 2.4123 6.1530 6.1604 6.3145 6.3159 8.0659 8.0996 8.6991 8.7200 8.9472 8.9704 9.9048 9.9285 11.1079 11.1108 11.7852 11.7894 k = 0.1757 0.1014 0.4544 ( 4156 PWs) bands (ev): -18.2757 -18.2753 -18.1732 -18.1730 -15.7547 -15.7544 -15.3981 -15.3924 -15.3555 -15.3488 -15.3084 -15.3063 -11.7481 -11.7478 -7.3629 -7.3595 -7.0698 -7.0587 -5.3375 -5.3269 -5.2898 -5.2787 -4.5495 -4.5372 -1.0564 -1.0553 -0.9588 -0.9563 -0.2440 -0.2432 0.0657 0.0706 0.1202 0.1274 0.6847 0.6934 0.8367 0.8467 1.0118 1.0162 1.2021 1.2059 1.9702 1.9734 1.9778 1.9828 2.4087 2.4102 6.1167 6.1243 6.3031 6.3044 8.0897 8.1245 8.7369 8.7588 9.0084 9.0324 9.9272 9.9523 11.0872 11.0903 11.7241 11.7284 k = 0.1892 0.1092 0.4544 ( 4160 PWs) bands (ev): -18.2732 -18.2728 -18.1543 -18.1541 -15.8079 -15.8075 -15.4009 -15.3952 -15.3561 -15.3494 -15.3105 -15.3083 -11.6772 -11.6769 -7.4111 -7.4076 -7.0740 -7.0627 -5.3255 -5.3141 -5.2707 -5.2591 -4.5595 -4.5465 -1.0728 -1.0717 -0.9675 -0.9651 -0.2351 -0.2340 0.0505 0.0549 0.1171 0.1244 0.6880 0.6966 0.8617 0.8719 1.0270 1.0315 1.2172 1.2213 1.9548 1.9565 1.9639 1.9660 2.4067 2.4082 6.0804 6.0882 6.2930 6.2941 8.1151 8.1510 8.7757 8.7985 9.0684 9.0932 9.9532 9.9794 11.0669 11.0702 11.6624 11.6667 k = 0.2027 0.1170 0.4544 ( 4160 PWs) bands (ev): -18.2705 -18.2701 -18.1342 -18.1339 -15.8624 -15.8620 -15.4038 -15.3982 -15.3568 -15.3502 -15.3126 -15.3104 -11.6039 -11.6035 -7.4617 -7.4582 -7.0782 -7.0667 -5.3133 -5.3013 -5.2506 -5.2387 -4.5698 -4.5563 -1.0890 -1.0879 -0.9772 -0.9747 -0.2254 -0.2240 0.0356 0.0394 0.1156 0.1228 0.6906 0.6991 0.8860 0.8963 1.0415 1.0461 1.2331 1.2375 1.9329 1.9377 1.9502 1.9539 2.4049 2.4065 6.0443 6.0522 6.2844 6.2854 8.1420 8.1789 8.8152 8.8387 9.1261 9.1521 9.9831 10.0102 11.0471 11.0506 11.6007 11.6051 k = 0.2162 0.1248 0.4544 ( 4168 PWs) bands (ev): -18.2678 -18.2674 -18.1128 -18.1125 -15.9180 -15.9176 -15.4068 -15.4013 -15.3575 -15.3511 -15.3146 -15.3124 -11.5284 -11.5280 -7.5147 -7.5111 -7.0824 -7.0707 -5.3011 -5.2886 -5.2299 -5.2178 -4.5806 -4.5665 -1.1049 -1.1038 -0.9876 -0.9851 -0.2150 -0.2133 0.0213 0.0245 0.1155 0.1228 0.6926 0.7010 0.9093 0.9197 1.0551 1.0599 1.2497 1.2542 1.9089 1.9147 1.9389 1.9433 2.4034 2.4050 6.0087 6.0167 6.2774 6.2782 8.1703 8.2082 8.8548 8.8788 9.1809 9.2083 10.0169 10.0447 11.0280 11.0318 11.5396 11.5441 k = 0.2297 0.1326 0.4544 ( 4168 PWs) bands (ev): -18.2650 -18.2646 -18.0901 -18.0899 -15.9745 -15.9741 -15.4098 -15.4044 -15.3583 -15.3521 -15.3165 -15.3144 -11.4511 -11.4507 -7.5697 -7.5661 -7.0865 -7.0748 -5.2889 -5.2759 -5.2087 -5.1964 -4.5916 -4.5771 -1.1204 -1.1194 -0.9986 -0.9962 -0.2040 -0.2019 0.0078 0.0103 0.1168 0.1241 0.6940 0.7024 0.9313 0.9418 1.0677 1.0728 1.2668 1.2715 1.8831 1.8892 1.9287 1.9335 2.4022 2.4037 5.9739 5.9818 6.2720 6.2728 8.1999 8.2388 8.8942 8.9185 9.2320 9.2611 10.0548 10.0830 11.0100 11.0142 11.4799 11.4845 k = 0.2432 0.1404 0.4544 ( 4158 PWs) bands (ev): -18.2622 -18.2618 -18.0664 -18.0661 -16.0315 -16.0311 -15.4129 -15.4077 -15.3592 -15.3532 -15.3183 -15.3163 -11.3724 -11.3718 -7.6266 -7.6230 -7.0904 -7.0788 -5.2768 -5.2635 -5.1872 -5.1749 -4.6029 -4.5880 -1.1354 -1.1344 -1.0102 -1.0078 -0.1929 -0.1903 -0.0042 -0.0025 0.1193 0.1266 0.6949 0.7032 0.9518 0.9624 1.0793 1.0846 1.2843 1.2892 1.8556 1.8620 1.9197 1.9247 2.4012 2.4028 5.9399 5.9478 6.2684 6.2690 8.2307 8.2706 8.9329 8.9574 9.2789 9.3100 10.0965 10.1249 10.9935 10.9980 11.4222 11.4269 k = 0.2568 0.1482 0.4544 ( 4150 PWs) bands (ev): -18.2594 -18.2589 -18.0415 -18.0412 -16.0889 -16.0884 -15.4161 -15.4111 -15.3601 -15.3544 -15.3200 -15.3181 -11.2924 -11.2919 -7.6853 -7.6817 -7.0943 -7.0828 -5.2648 -5.2512 -5.1654 -5.1532 -4.6143 -4.5992 -1.1497 -1.1487 -1.0222 -1.0199 -0.1823 -0.1790 -0.0142 -0.0134 0.1229 0.1301 0.6952 0.7034 0.9707 0.9813 1.0897 1.0954 1.3022 1.3072 1.8268 1.8334 1.9117 1.9168 2.4005 2.4020 5.9070 5.9147 6.2663 6.2670 8.2626 8.3035 8.9705 8.9951 9.3211 9.3544 10.1415 10.1699 10.9788 10.9839 11.3671 11.3720 k = 0.2703 0.1560 0.4544 ( 4146 PWs) bands (ev): -18.2565 -18.2561 -18.0155 -18.0152 -16.1463 -16.1458 -15.4193 -15.4145 -15.3610 -15.3557 -15.3216 -15.3198 -11.2117 -11.2110 -7.7454 -7.7419 -7.0980 -7.0867 -5.2531 -5.2392 -5.1437 -5.1316 -4.6258 -4.6106 -1.1634 -1.1624 -1.0345 -1.0323 -0.1731 -0.1691 -0.0215 -0.0209 0.1274 0.1346 0.6948 0.7029 0.9878 0.9985 1.0990 1.1050 1.3201 1.3251 1.7970 1.8036 1.9048 1.9100 2.4001 2.4015 5.8752 5.8828 6.2659 6.2666 8.2956 8.3375 9.0067 9.0311 9.3585 9.3938 10.1890 10.2172 10.9665 10.9723 11.3153 11.3204 k = 0.2838 0.1638 0.4544 ( 4150 PWs) bands (ev): -18.2537 -18.2533 -17.9886 -17.9883 -16.2036 -16.2031 -15.4225 -15.4179 -15.3620 -15.3570 -15.3231 -15.3215 -11.1304 -11.1297 -7.8068 -7.8034 -7.1015 -7.0906 -5.2415 -5.2275 -5.1220 -5.1103 -4.6374 -4.6220 -1.1763 -1.1754 -1.0469 -1.0448 -0.1665 -0.1617 -0.0251 -0.0236 0.1326 0.1396 0.6935 0.7016 1.0032 1.0139 1.1074 1.1136 1.3378 1.3429 1.7665 1.7731 1.8992 1.9044 2.3998 2.4012 5.8447 5.8521 6.2670 6.2678 8.3295 8.3724 9.0410 9.0651 9.3909 9.4281 10.2378 10.2658 10.9574 10.9641 11.2673 11.2729 k = 0.2973 0.1716 0.4544 ( 4150 PWs) bands (ev): -18.2509 -18.2505 -17.9607 -17.9604 -16.2605 -16.2601 -15.4257 -15.4213 -15.3629 -15.3583 -15.3245 -15.3230 -11.0489 -11.0482 -7.8693 -7.8659 -7.1049 -7.0943 -5.2302 -5.2162 -5.1007 -5.0893 -4.6489 -4.6336 -1.1885 -1.1876 -1.0592 -1.0572 -0.1635 -0.1581 -0.0232 -0.0209 0.1383 0.1452 0.6913 0.6993 1.0169 1.0275 1.1148 1.1213 1.3549 1.3601 1.7357 1.7422 1.8947 1.8998 2.3997 2.4010 5.8156 5.8228 6.2695 6.2703 8.3643 8.4082 9.0731 9.0968 9.4184 9.4570 10.2866 10.3141 10.9524 10.9600 11.2239 11.2299 k = 0.3108 0.1794 0.4544 ( 4148 PWs) bands (ev): -18.2482 -18.2478 -17.9321 -17.9318 -16.3169 -16.3164 -15.4288 -15.4247 -15.3639 -15.3596 -15.3257 -15.3244 -10.9676 -10.9669 -7.9325 -7.9292 -7.1080 -7.0979 -5.2192 -5.2053 -5.0799 -5.0689 -4.6603 -4.6450 -1.1998 -1.1991 -1.0714 -1.0695 -0.1643 -0.1588 -0.0151 -0.0124 0.1444 0.1512 0.6879 0.6959 1.0290 1.0396 1.1214 1.1282 1.3712 1.3765 1.7050 1.7114 1.8913 1.8964 2.3997 2.4009 5.7880 5.7950 6.2732 6.2742 8.3999 8.4447 9.1027 9.1260 9.4409 9.4803 10.3337 10.3606 10.9524 10.9611 11.1856 11.1920 k = 0.3243 0.1872 0.4544 ( 4148 PWs) bands (ev): -18.2456 -18.2452 -17.9028 -17.9024 -16.3724 -16.3719 -15.4319 -15.4281 -15.3648 -15.3610 -15.3269 -15.3258 -10.8869 -10.8861 -7.9962 -7.9930 -7.1110 -7.1013 -5.2086 -5.1948 -5.0596 -5.0491 -4.6714 -4.6564 -1.2104 -1.2097 -1.0832 -1.0815 -0.1686 -0.1633 -0.0016 0.0012 0.1508 0.1573 0.6832 0.6910 1.0397 1.0502 1.1273 1.1345 1.3861 1.3914 1.6752 1.6814 1.8891 1.8941 2.3998 2.4009 5.7621 5.7687 6.2781 6.2791 8.4362 8.4818 9.1295 9.1524 9.4587 9.4981 10.3776 10.4036 10.9583 10.9679 11.1529 11.1600 k = 0.3378 0.1951 0.4544 ( 4144 PWs) bands (ev): -18.2430 -18.2426 -17.8729 -17.8726 -16.4269 -16.4264 -15.4349 -15.4313 -15.3657 -15.3622 -15.3279 -15.3270 -10.8072 -10.8064 -8.0599 -8.0568 -7.1137 -7.1045 -5.1983 -5.1848 -5.0401 -5.0302 -4.6823 -4.6676 -1.2201 -1.2194 -1.0946 -1.0931 -0.1752 -0.1703 0.0162 0.0190 0.1573 0.1635 0.6769 0.6845 1.0493 1.0596 1.1329 1.1402 1.3989 1.4043 1.6469 1.6528 1.8880 1.8927 2.3999 2.4010 5.7377 5.7440 6.2838 6.2849 8.4731 8.5195 9.1530 9.1760 9.4719 9.5104 10.4169 10.4416 10.9703 10.9803 11.1267 11.1347 k = 0.3514 0.2029 0.4544 ( 4144 PWs) bands (ev): -18.2406 -18.2403 -17.8427 -17.8424 -16.4800 -16.4796 -15.4378 -15.4344 -15.3666 -15.3635 -15.3289 -15.3281 -10.7290 -10.7281 -8.1232 -8.1203 -7.1161 -7.1076 -5.1884 -5.1754 -5.0215 -5.0122 -4.6927 -4.6784 -1.2290 -1.2284 -1.1055 -1.1041 -0.1831 -0.1787 0.0371 0.0398 0.1637 0.1695 0.6687 0.6761 1.0579 1.0680 1.1381 1.1457 1.4087 1.4143 1.6211 1.6267 1.8877 1.8922 2.4001 2.4011 5.7151 5.7210 6.2902 6.2914 8.5103 8.5574 9.1729 9.1967 9.4807 9.5174 10.4507 10.4737 10.9870 10.9961 11.1087 11.1184 k = 0.3649 0.2107 0.4544 ( 4144 PWs) bands (ev): -18.2384 -18.2380 -17.8123 -17.8120 -16.5315 -16.5311 -15.4405 -15.4374 -15.3674 -15.3646 -15.3298 -15.3291 -10.6527 -10.6519 -8.1857 -8.1829 -7.1184 -7.1104 -5.1791 -5.1665 -5.0040 -4.9954 -4.7026 -4.6889 -1.2371 -1.2365 -1.1157 -1.1144 -0.1916 -0.1877 0.0603 0.0629 0.1700 0.1753 0.6586 0.6657 1.0659 1.0758 1.1433 1.1510 1.4144 1.4200 1.5991 1.6042 1.8883 1.8925 2.4003 2.4012 5.6943 5.6998 6.2971 6.2983 8.5479 8.5954 9.1889 9.2141 9.4856 9.5194 10.4788 10.4996 11.0039 11.0100 11.1025 11.1155 k = 0.3784 0.2185 0.4544 ( 4138 PWs) bands (ev): -18.2362 -18.2359 -17.7821 -17.7818 -16.5811 -16.5806 -15.4430 -15.4402 -15.3681 -15.3657 -15.3306 -15.3300 -10.5791 -10.5782 -8.2468 -8.2442 -7.1203 -7.1131 -5.1702 -5.1583 -4.9876 -4.9797 -4.7119 -4.6990 -1.2444 -1.2439 -1.1251 -1.1240 -0.2002 -0.1968 0.0851 0.0877 0.1760 0.1809 0.6465 0.6532 1.0735 1.0829 1.1488 1.1566 1.4144 1.4200 1.5825 1.5869 1.8895 1.8933 2.4005 2.4013 5.6754 5.6804 6.3042 6.3054 8.5855 8.6332 9.2007 9.2283 9.4873 9.5172 10.5017 10.5201 11.0136 11.0167 11.1129 11.1299 k = 0.3919 0.2263 0.4544 ( 4146 PWs) bands (ev): -18.2343 -18.2340 -17.7524 -17.7521 -16.6282 -16.6278 -15.4453 -15.4429 -15.3688 -15.3667 -15.3313 -15.3308 -10.5088 -10.5079 -8.3058 -8.3033 -7.1221 -7.1155 -5.1620 -5.1508 -4.9726 -4.9655 -4.7205 -4.7085 -1.2509 -1.2504 -1.1337 -1.1327 -0.2086 -0.2055 0.1109 0.1136 0.1818 0.1860 0.6323 0.6386 1.0807 1.0896 1.1547 1.1626 1.4080 1.4135 1.5720 1.5756 1.8912 1.8947 2.4007 2.4014 5.6584 5.6629 6.3114 6.3125 8.6229 8.6705 9.2082 9.2387 9.4863 9.5117 10.5201 10.5360 11.0144 11.0177 11.1383 11.1575 k = 0.4054 0.2341 0.4544 ( 4138 PWs) bands (ev): -18.2325 -18.2323 -17.7236 -17.7233 -16.6725 -16.6721 -15.4474 -15.4452 -15.3694 -15.3676 -15.3319 -15.3316 -10.4427 -10.4418 -8.3618 -8.3595 -7.1236 -7.1178 -5.1543 -5.1441 -4.9590 -4.9526 -4.7283 -4.7173 -1.2565 -1.2561 -1.1414 -1.1406 -0.2164 -0.2137 0.1372 0.1402 0.1873 0.1907 0.6162 0.6220 1.0876 1.0958 1.1615 1.1693 1.3956 1.4008 1.5674 1.5701 1.8932 1.8963 2.4008 2.4015 5.6433 5.6473 6.3183 6.3194 8.6599 8.7068 9.2114 9.2451 9.4837 9.5040 10.5350 10.5483 11.0126 11.0163 11.1709 11.1904 k = 0.4189 0.2419 0.4544 ( 4144 PWs) bands (ev): -18.2310 -18.2308 -17.6963 -17.6960 -16.7133 -16.7130 -15.4492 -15.4474 -15.3699 -15.3684 -15.3325 -15.3322 -10.3817 -10.3809 -8.4139 -8.4119 -7.1248 -7.1198 -5.1473 -5.1382 -4.9468 -4.9414 -4.7352 -4.7254 -1.2614 -1.2610 -1.1481 -1.1474 -0.2234 -0.2212 0.1628 0.1669 0.1927 0.1953 0.5985 0.6038 1.0940 1.1014 1.1696 1.1772 1.3786 1.3835 1.5669 1.5688 1.8953 1.8980 2.4010 2.4015 5.6301 5.6336 6.3248 6.3258 8.6959 8.7415 9.2105 9.2470 9.4803 9.4954 10.5470 10.5579 11.0112 11.0149 11.2041 11.2229 k = 0.4324 0.2497 0.4544 ( 4144 PWs) bands (ev): -18.2297 -18.2295 -17.6710 -17.6707 -16.7501 -16.7498 -15.4508 -15.4493 -15.3703 -15.3691 -15.3329 -15.3327 -10.3269 -10.3262 -8.4612 -8.4594 -7.1257 -7.1215 -5.1411 -5.1333 -4.9364 -4.9317 -4.7410 -4.7326 -1.2655 -1.2652 -1.1539 -1.1533 -0.2295 -0.2277 0.1843 0.1921 0.1985 0.2033 0.5798 0.5846 1.0998 1.1061 1.1793 1.1866 1.3588 1.3636 1.5688 1.5701 1.8975 1.8998 2.4011 2.4015 5.6190 5.6220 6.3308 6.3316 8.7306 8.7737 9.2064 9.2442 9.4766 9.4873 10.5567 10.5653 11.0112 11.0145 11.2340 11.2511 k = 0.4459 0.2575 0.4544 ( 4140 PWs) bands (ev): -18.2285 -18.2284 -17.6485 -17.6483 -16.7820 -16.7817 -15.4521 -15.4508 -15.3706 -15.3696 -15.3333 -15.3331 -10.2796 -10.2790 -8.5022 -8.5008 -7.1265 -7.1231 -5.1358 -5.1293 -4.9276 -4.9239 -4.7458 -4.7388 -1.2689 -1.2686 -1.1587 -1.1582 -0.2347 -0.2332 0.1945 0.1996 0.2191 0.2217 0.5609 0.5650 1.1048 1.1098 1.1908 1.1976 1.3377 1.3423 1.5716 1.5724 1.8995 1.9013 2.4011 2.4015 5.6100 5.6123 6.3359 6.3366 8.7632 8.8023 9.2003 9.2371 9.4733 9.4804 10.5644 10.5710 11.0124 11.0152 11.2584 11.2730 k = 0.4595 0.2653 0.4544 ( 4142 PWs) bands (ev): -18.2277 -18.2275 -17.6298 -17.6296 -16.8081 -16.8079 -15.4531 -15.4521 -15.3709 -15.3701 -15.3336 -15.3335 -10.2409 -10.2404 -8.5359 -8.5348 -7.1269 -7.1243 -5.1313 -5.1263 -4.9206 -4.9178 -4.7494 -4.7440 -1.2715 -1.2713 -1.1624 -1.1620 -0.2387 -0.2376 0.1988 0.2020 0.2416 0.2431 0.5430 0.5463 1.1088 1.1126 1.2042 1.2105 1.3162 1.3208 1.5744 1.5749 1.9013 1.9027 2.4012 2.4015 5.6030 5.6048 6.3401 6.3406 8.7926 8.8257 9.1940 9.2266 9.4706 9.4752 10.5704 10.5751 11.0143 11.0165 11.2765 11.2880 k = 0.4730 0.2731 0.4544 ( 4146 PWs) bands (ev): -18.2270 -18.2269 -17.6155 -17.6154 -16.8275 -16.8274 -15.4537 -15.4531 -15.3710 -15.3705 -15.3338 -15.3337 -10.2122 -10.2119 -8.5610 -8.5602 -7.1271 -7.1254 -5.1278 -5.1244 -4.9154 -4.9135 -4.7517 -4.7480 -1.2733 -1.2732 -1.1650 -1.1648 -0.2416 -0.2409 0.2015 0.2035 0.2604 0.2615 0.5278 0.5301 1.1118 1.1143 1.2193 1.2252 1.2950 1.2997 1.5767 1.5770 1.9027 1.9036 2.4012 2.4014 5.5980 5.5992 6.3432 6.3435 8.8176 8.8421 9.1897 9.2144 9.4688 9.4717 10.5747 10.5778 11.0163 11.0179 11.2890 11.2968 k = 0.4865 0.2809 0.4544 ( 4144 PWs) bands (ev): -18.2266 -18.2266 -17.6066 -17.6065 -16.8396 -16.8395 -15.4541 -15.4537 -15.3710 -15.3708 -15.3339 -15.3339 -10.1945 -10.1943 -8.5765 -8.5761 -7.1271 -7.1262 -5.1253 -5.1236 -4.9121 -4.9111 -4.7527 -4.7509 -1.2744 -1.2743 -1.1666 -1.1665 -0.2433 -0.2429 0.2032 0.2041 0.2733 0.2739 0.5174 0.5187 1.1139 1.1151 1.2361 1.2415 1.2746 1.2793 1.5783 1.5784 1.9036 1.9041 2.4013 2.4014 5.5952 5.5958 6.3451 6.3453 8.8366 8.8497 9.1892 9.2027 9.4680 9.4694 10.5776 10.5791 11.0180 11.0188 11.2966 11.3006 k = 0.5000 0.2887 0.4544 ( 4148 PWs) bands (ev): -18.2265 -18.2265 -17.6035 -17.6035 -16.8437 -16.8437 -15.4541 -15.4541 -15.3710 -15.3710 -15.3340 -15.3340 -10.1884 -10.1884 -8.5816 -8.5816 -7.1267 -7.1267 -5.1239 -5.1239 -4.9107 -4.9107 -4.7524 -4.7524 -1.2747 -1.2747 -1.1671 -1.1671 -0.2437 -0.2437 0.2040 0.2040 0.2782 0.2782 0.5141 0.5141 1.1150 1.1150 1.2533 1.2533 1.2612 1.2612 1.5788 1.5788 1.9041 1.9041 2.4013 2.4013 5.5945 5.5945 6.3458 6.3458 8.8478 8.8478 9.1937 9.1937 9.4682 9.4682 10.5790 10.5790 11.0189 11.0189 11.3004 11.3004 k = 0.5000 0.2887 0.4544 ( 4148 PWs) bands (ev): -18.2265 -18.2265 -17.6035 -17.6035 -16.8437 -16.8437 -15.4541 -15.4541 -15.3710 -15.3710 -15.3340 -15.3340 -10.1884 -10.1884 -8.5816 -8.5816 -7.1267 -7.1267 -5.1239 -5.1239 -4.9107 -4.9107 -4.7524 -4.7524 -1.2747 -1.2747 -1.1671 -1.1671 -0.2437 -0.2437 0.2040 0.2040 0.2782 0.2782 0.5141 0.5141 1.1150 1.1150 1.2533 1.2533 1.2612 1.2612 1.5788 1.5788 1.9041 1.9041 2.4013 2.4013 5.5945 5.5945 6.3458 6.3458 8.8478 8.8478 9.1937 9.1937 9.4682 9.4682 10.5790 10.5790 11.0189 11.0189 11.3004 11.3004 k = 0.4924 0.3018 0.4544 ( 4140 PWs) bands (ev): -18.2264 -18.2264 -17.6029 -17.6028 -16.8447 -16.8445 -15.4541 -15.4540 -15.3711 -15.3709 -15.3343 -15.3341 -10.1865 -10.1862 -8.5834 -8.5827 -7.1279 -7.1271 -5.1233 -5.1229 -4.9110 -4.9104 -4.7528 -4.7523 -1.2757 -1.2754 -1.1658 -1.1653 -0.2465 -0.2459 0.2058 0.2059 0.2781 0.2782 0.5142 0.5144 1.1121 1.1128 1.2535 1.2548 1.2634 1.2635 1.5791 1.5794 1.9039 1.9041 2.3995 2.4000 5.5909 5.5917 6.3509 6.3516 8.8404 8.8431 9.1930 9.1940 9.4690 9.4727 10.5800 10.5812 11.0206 11.0211 11.3021 11.3031 k = 0.4848 0.3149 0.4544 ( 4140 PWs) bands (ev): -18.2261 -18.2260 -17.6009 -17.6007 -16.8475 -16.8473 -15.4542 -15.4539 -15.3713 -15.3709 -15.3351 -15.3348 -10.1804 -10.1798 -8.5883 -8.5868 -7.1305 -7.1289 -5.1210 -5.1204 -4.9114 -4.9103 -4.7535 -4.7525 -1.2782 -1.2776 -1.1615 -1.1606 -0.2543 -0.2531 0.2112 0.2113 0.2780 0.2782 0.5146 0.5151 1.1048 1.1060 1.2555 1.2575 1.2697 1.2704 1.5802 1.5808 1.9035 1.9038 2.3945 2.3955 5.5815 5.5830 6.3667 6.3680 8.8215 8.8265 9.1918 9.1938 9.4747 9.4818 10.5842 10.5866 11.0261 11.0272 11.3083 11.3102 k = 0.4773 0.3280 0.4544 ( 4148 PWs) bands (ev): -18.2255 -18.2254 -17.5975 -17.5972 -16.8523 -16.8519 -15.4543 -15.4539 -15.3716 -15.3710 -15.3364 -15.3359 -10.1702 -10.1693 -8.5961 -8.5940 -7.1345 -7.1322 -5.1171 -5.1162 -4.9119 -4.9102 -4.7545 -4.7529 -1.2818 -1.2810 -1.1546 -1.1533 -0.2666 -0.2649 0.2197 0.2199 0.2779 0.2781 0.5154 0.5161 1.0942 1.0957 1.2591 1.2614 1.2792 1.2806 1.5821 1.5830 1.9029 1.9032 2.3865 2.3880 5.5669 5.5691 6.3922 6.3941 8.7923 8.7991 9.1903 9.1933 9.4843 9.4942 10.5918 10.5951 11.0354 11.0371 11.3188 11.3218 k = 0.4697 0.3412 0.4544 ( 4148 PWs) bands (ev): -18.2248 -18.2247 -17.5928 -17.5924 -16.8589 -16.8584 -15.4544 -15.4538 -15.3719 -15.3711 -15.3380 -15.3374 -10.1559 -10.1547 -8.6070 -8.6042 -7.1397 -7.1367 -5.1118 -5.1106 -4.9125 -4.9103 -4.7557 -4.7537 -1.2862 -1.2853 -1.1454 -1.1438 -0.2828 -0.2806 0.2308 0.2310 0.2778 0.2781 0.5164 0.5173 1.0814 1.0830 1.2640 1.2666 1.2908 1.2928 1.5848 1.5860 1.9021 1.9025 2.3755 2.3775 5.5484 5.5511 6.4264 6.4286 8.7546 8.7626 9.1886 9.1926 9.4963 9.5081 10.6027 10.6067 11.0484 11.0506 11.3336 11.3376 k = 0.4621 0.3543 0.4544 ( 4148 PWs) bands (ev): -18.2239 -18.2237 -17.5867 -17.5862 -16.8674 -16.8668 -15.4545 -15.4538 -15.3723 -15.3713 -15.3401 -15.3393 -10.1376 -10.1361 -8.6209 -8.6175 -7.1460 -7.1424 -5.1050 -5.1036 -4.9131 -4.9104 -4.7572 -4.7547 -1.2911 -1.2900 -1.1344 -1.1325 -0.3024 -0.2998 0.2439 0.2442 0.2780 0.2783 0.5176 0.5187 1.0674 1.0690 1.2700 1.2730 1.3037 1.3061 1.5884 1.5898 1.9011 1.9017 2.3618 2.3641 5.5272 5.5302 6.4678 6.4703 8.7098 8.7186 9.1870 9.1920 9.5091 9.5221 10.6170 10.6214 11.0649 11.0676 11.3525 11.3576 k = 0.4545 0.3674 0.4544 ( 4136 PWs) bands (ev): -18.2228 -18.2226 -17.5792 -17.5786 -16.8777 -16.8769 -15.4546 -15.4537 -15.3728 -15.3715 -15.3425 -15.3416 -10.1154 -10.1136 -8.6379 -8.6339 -7.1533 -7.1492 -5.0970 -5.0954 -4.9139 -4.9107 -4.7589 -4.7559 -1.2961 -1.2950 -1.1217 -1.1196 -0.3249 -0.3218 0.2583 0.2589 0.2785 0.2786 0.5188 0.5202 1.0528 1.0543 1.2771 1.2804 1.3171 1.3199 1.5928 1.5945 1.9000 1.9008 2.3454 2.3482 5.5042 5.5076 6.5155 6.5181 8.6593 8.6684 9.1855 9.1915 9.5212 9.5347 10.6346 10.6391 11.0848 11.0879 11.3754 11.3816 k = 0.4470 0.3805 0.4544 ( 4132 PWs) bands (ev): -18.2215 -18.2213 -17.5703 -17.5696 -16.8898 -16.8889 -15.4547 -15.4537 -15.3733 -15.3718 -15.3452 -15.3441 -10.0894 -10.0872 -8.6581 -8.6536 -7.1613 -7.1567 -5.0879 -5.0862 -4.9147 -4.9110 -4.7608 -4.7574 -1.3010 -1.3000 -1.1077 -1.1054 -0.3495 -0.3461 0.2721 0.2741 0.2797 0.2808 0.5199 0.5215 1.0380 1.0395 1.2850 1.2887 1.3305 1.3336 1.5981 1.6000 1.8989 1.8998 2.3266 2.3298 5.4805 5.4840 6.5681 6.5708 8.6043 8.6135 9.1845 9.1915 9.5318 9.5452 10.6553 10.6597 11.1078 11.1113 11.4019 11.4093 k = 0.4394 0.3936 0.4544 ( 4136 PWs) bands (ev): -18.2202 -18.2199 -17.5599 -17.5591 -16.9037 -16.9027 -15.4548 -15.4538 -15.3738 -15.3722 -15.3481 -15.3468 -10.0596 -10.0572 -8.6814 -8.6765 -7.1698 -7.1649 -5.0779 -5.0761 -4.9155 -4.9114 -4.7630 -4.7592 -1.3059 -1.3049 -1.0924 -1.0899 -0.3760 -0.3723 0.2776 0.2796 0.2914 0.2925 0.5208 0.5226 1.0235 1.0248 1.2936 1.2976 1.3436 1.3470 1.6042 1.6063 1.8978 1.8988 2.3057 2.3093 5.4568 5.4603 6.6249 6.6275 8.5457 8.5547 9.1841 9.1920 9.5400 9.5528 10.6790 10.6829 11.1336 11.1374 11.4319 11.4405 k = 0.4318 0.4068 0.4544 ( 4140 PWs) bands (ev): -18.2187 -18.2185 -17.5481 -17.5472 -16.9193 -16.9183 -15.4550 -15.4539 -15.3744 -15.3725 -15.3511 -15.3497 -10.0262 -10.0235 -8.7080 -8.7026 -7.1786 -7.1734 -5.0671 -5.0652 -4.9164 -4.9119 -4.7653 -4.7612 -1.3106 -1.3096 -1.0760 -1.0733 -0.4039 -0.3999 0.2795 0.2812 0.3078 0.3085 0.5212 0.5232 1.0095 1.0107 1.3028 1.3071 1.3562 1.3598 1.6111 1.6133 1.8968 1.8980 2.2830 2.2869 5.4335 5.4370 6.6851 6.6876 8.4842 8.4929 9.1846 9.1933 9.5454 9.5571 10.7054 10.7085 11.1619 11.1661 11.4649 11.4748 k = 0.4242 0.4199 0.4544 ( 4144 PWs) bands (ev): -18.2172 -18.2170 -17.5348 -17.5339 -16.9366 -16.9355 -15.4552 -15.4540 -15.3750 -15.3729 -15.3541 -15.3526 -9.9894 -9.9864 -8.7378 -8.7321 -7.1874 -7.1821 -5.0558 -5.0539 -4.9174 -4.9126 -4.7678 -4.7634 -1.3150 -1.3141 -1.0585 -1.0557 -0.4329 -0.4286 0.2815 0.2832 0.3242 0.3248 0.5211 0.5233 0.9963 0.9973 1.3122 1.3168 1.3679 1.3717 1.6188 1.6211 1.8960 1.8974 2.2588 2.2630 5.4111 5.4146 6.7481 6.7504 8.4204 8.4287 9.1861 9.1956 9.5478 9.5581 10.7339 10.7361 11.1924 11.1968 11.5005 11.5117 k = 0.4167 0.4330 0.4544 ( 4144 PWs) bands (ev): -18.2157 -18.2154 -17.5200 -17.5190 -16.9556 -16.9544 -15.4554 -15.4542 -15.3756 -15.3734 -15.3572 -15.3555 -9.9492 -9.9460 -8.7708 -8.7648 -7.1962 -7.1908 -5.0441 -5.0423 -4.9184 -4.9133 -4.7704 -4.7657 -1.3191 -1.3182 -1.0401 -1.0371 -0.4627 -0.4582 0.2840 0.2859 0.3403 0.3408 0.5201 0.5225 0.9841 0.9849 1.3217 1.3266 1.3785 1.3826 1.6270 1.6294 1.8956 1.8973 2.2334 2.2380 5.3900 5.3933 6.8134 6.8154 8.3548 8.3625 9.1889 9.1992 9.5471 9.5558 10.7642 10.7653 11.2248 11.2294 11.5379 11.5507 k = 0.4091 0.4461 0.4544 ( 4144 PWs) bands (ev): -18.2142 -18.2139 -17.5037 -17.5026 -16.9762 -16.9750 -15.4556 -15.4544 -15.3762 -15.3738 -15.3602 -15.3583 -9.9059 -9.9025 -8.8071 -8.8009 -7.2046 -7.1993 -5.0323 -5.0305 -4.9194 -4.9142 -4.7731 -4.7682 -1.3230 -1.3221 -1.0207 -1.0176 -0.4931 -0.4884 0.2873 0.2894 0.3558 0.3562 0.5183 0.5209 0.9730 0.9736 1.3313 1.3364 1.3880 1.3924 1.6358 1.6381 1.8958 1.8977 2.2072 2.2121 5.3703 5.3735 6.8805 6.8822 8.2876 8.2949 9.1933 9.2042 9.5434 9.5502 10.7956 10.7957 11.2587 11.2634 11.5761 11.5904 k = 0.4015 0.4593 0.4544 ( 4142 PWs) bands (ev): -18.2127 -18.2124 -17.4858 -17.4847 -16.9983 -16.9971 -15.4559 -15.4547 -15.3768 -15.3742 -15.3630 -15.3610 -9.8596 -9.8560 -8.8466 -8.8403 -7.2124 -7.2074 -5.0204 -5.0188 -4.9205 -4.9152 -4.7758 -4.7708 -1.3264 -1.3257 -1.0005 -0.9972 -0.5237 -0.5189 0.2915 0.2937 0.3704 0.3706 0.5156 0.5182 0.9632 0.9636 1.3406 1.3459 1.3962 1.4007 1.6448 1.6470 1.8968 1.8990 2.1807 2.1857 5.3523 5.3553 6.9491 6.9505 8.2193 8.2260 9.1993 9.2109 9.5367 9.5415 10.8267 10.8276 11.2936 11.2984 11.6128 11.6289 k = 0.3939 0.4724 0.4544 ( 4134 PWs) bands (ev): -18.2113 -18.2110 -17.4664 -17.4653 -17.0219 -17.0206 -15.4562 -15.4551 -15.3774 -15.3746 -15.3657 -15.3634 -9.8105 -9.8066 -8.8893 -8.8830 -7.2197 -7.2149 -5.0088 -5.0073 -4.9217 -4.9163 -4.7784 -4.7735 -1.3296 -1.3289 -0.9794 -0.9759 -0.5546 -0.5495 0.2965 0.2990 0.3838 0.3839 0.5119 0.5145 0.9547 0.9550 1.3496 1.3551 1.4030 1.4077 1.6538 1.6558 1.8988 1.9013 2.1541 2.1592 5.3360 5.3387 7.0188 7.0198 8.1501 8.1563 9.2073 9.2194 9.5273 9.5301 10.8579 10.8597 11.3292 11.3339 11.6441 11.6617 k = 0.3864 0.4855 0.4544 ( 4138 PWs) bands (ev): -18.2099 -18.2097 -17.4455 -17.4442 -17.0469 -17.0456 -15.4566 -15.4555 -15.3779 -15.3750 -15.3681 -15.3656 -9.7587 -9.7546 -8.9351 -8.9288 -7.2262 -7.2218 -4.9976 -4.9963 -4.9230 -4.9177 -4.7810 -4.7762 -1.3324 -1.3318 -0.9576 -0.9540 -0.5854 -0.5802 0.3026 0.3053 0.3955 0.3957 0.5073 0.5099 0.9477 0.9477 1.3582 1.3639 1.4082 1.4130 1.6626 1.6643 1.9020 1.9049 2.1278 2.1330 5.3215 5.3240 7.0894 7.0900 8.0803 8.0859 9.2173 9.2299 9.5152 9.5159 10.8885 10.8912 11.3648 11.3693 11.6631 11.6810 k = 0.3788 0.4986 0.4544 ( 4146 PWs) bands (ev): -18.2087 -18.2085 -17.4229 -17.4217 -17.0733 -17.0719 -15.4569 -15.4559 -15.3784 -15.3754 -15.3702 -15.3676 -9.7044 -9.7001 -8.9840 -8.9778 -7.2319 -7.2279 -4.9869 -4.9859 -4.9243 -4.9193 -4.7834 -4.7789 -1.3349 -1.3344 -0.9351 -0.9313 -0.6160 -0.6107 0.3098 0.3128 0.4048 0.4054 0.5023 0.5047 0.9419 0.9420 1.3664 1.3721 1.4119 1.4168 1.6707 1.6721 1.9068 1.9101 2.1021 2.1074 5.3089 5.3111 7.1606 7.1607 8.0099 8.0150 9.2294 9.2426 9.4993 9.5007 10.9180 10.9212 11.3999 11.4042 11.6641 11.6799 k = 0.3712 0.5117 0.4544 ( 4142 PWs) bands (ev): -18.2076 -18.2075 -17.3987 -17.3975 -17.1009 -17.0995 -15.4573 -15.4564 -15.3789 -15.3757 -15.3720 -15.3692 -9.6478 -9.6433 -9.0359 -9.0298 -7.2367 -7.2333 -4.9770 -4.9763 -4.9257 -4.9211 -4.7856 -4.7815 -1.3370 -1.3365 -0.9119 -0.9079 -0.6463 -0.6409 0.3182 0.3214 0.4112 0.4123 0.4975 0.4995 0.9374 0.9376 1.3740 1.3797 1.4139 1.4190 1.6778 1.6789 1.9135 1.9170 2.0774 2.0827 5.2982 5.3001 7.2317 7.2321 7.9393 7.9439 9.2439 9.2575 9.4805 9.4839 10.9456 10.9491 11.4338 11.4377 11.6502 11.6628 k = 0.3636 0.5249 0.4544 ( 4140 PWs) bands (ev): -18.2067 -18.2066 -17.3730 -17.3717 -17.1296 -17.1283 -15.4576 -15.4568 -15.3793 -15.3760 -15.3735 -15.3705 -9.5891 -9.5844 -9.0906 -9.0847 -7.2405 -7.2377 -4.9680 -4.9676 -4.9273 -4.9231 -4.7874 -4.7838 -1.3387 -1.3384 -0.8881 -0.8839 -0.6760 -0.6705 0.3277 0.3312 0.4136 0.4154 0.4937 0.4952 0.9342 0.9344 1.3810 1.3868 1.4145 1.4196 1.6838 1.6846 1.9220 1.9258 2.0540 2.0591 5.2895 5.2910 7.3029 7.3038 7.8685 7.8726 9.2608 9.2749 9.4595 9.4649 10.9705 10.9739 11.4658 11.4691 11.6292 11.6387 k = 0.3561 0.5380 0.4544 ( 4148 PWs) bands (ev): -18.2060 -18.2059 -17.3457 -17.3444 -17.1594 -17.1581 -15.4578 -15.4572 -15.3797 -15.3763 -15.3747 -15.3714 -9.5284 -9.5236 -9.1481 -9.1424 -7.2434 -7.2412 -4.9601 -4.9601 -4.9289 -4.9253 -4.7889 -4.7860 -1.3401 -1.3398 -0.8638 -0.8594 -0.7052 -0.6996 0.3385 0.3422 0.4113 0.4138 0.4915 0.4924 0.9320 0.9322 1.3874 1.3932 1.4136 1.4188 1.6883 1.6889 1.9325 1.9366 2.0319 2.0369 5.2827 5.2839 7.3739 7.3754 7.7977 7.8014 9.2801 9.2946 9.4366 9.4439 10.9915 10.9946 11.4948 11.4974 11.6069 11.6135 k = 0.3485 0.5511 0.4544 ( 4154 PWs) bands (ev): -18.2054 -18.2054 -17.3168 -17.3155 -17.1902 -17.1889 -15.4580 -15.4576 -15.3800 -15.3764 -15.3755 -15.3721 -9.4659 -9.4609 -9.2083 -9.2028 -7.2453 -7.2438 -4.9541 -4.9538 -4.9304 -4.9276 -4.7899 -4.7878 -1.3411 -1.3409 -0.8389 -0.8345 -0.7336 -0.7278 0.3504 0.3545 0.4044 0.4074 0.4909 0.4913 0.9307 0.9309 1.3932 1.3989 1.4115 1.4167 1.6915 1.6918 1.9450 1.9493 2.0115 2.0162 5.2779 5.2787 7.4446 7.4467 7.7273 7.7305 9.3017 9.3169 9.4121 9.4209 11.0078 11.0101 11.5197 11.5215 11.5869 11.5907 k = 0.3409 0.5642 0.4544 ( 4150 PWs) bands (ev): -18.2051 -18.2051 -17.2864 -17.2851 -17.2218 -17.2206 -15.4581 -15.4579 -15.3801 -15.3764 -15.3761 -15.3724 -9.4019 -9.3967 -9.2708 -9.2657 -7.2463 -7.2456 -4.9499 -4.9495 -4.9316 -4.9294 -4.7902 -4.7891 -1.3416 -1.3415 -0.8136 -0.8095 -0.7611 -0.7548 0.3634 0.3680 0.3937 0.3968 0.4913 0.4914 0.9301 0.9302 1.3982 1.4038 1.4086 1.4138 1.6933 1.6934 1.9592 1.9636 1.9928 1.9971 5.2751 5.2755 7.5144 7.5173 7.6577 7.6602 9.3252 9.3417 9.3864 9.3960 11.0183 11.0195 11.5390 11.5396 11.5719 11.5727 k = 0.3333 0.5774 0.4544 ( 4146 PWs) bands (ev): -18.2050 -18.2050 -17.2558 -17.2532 -17.2529 -17.2529 -15.4580 -15.4580 -15.3802 -15.3763 -15.3763 -15.3726 -9.3415 -9.3312 -9.3307 -9.3307 -7.2464 -7.2464 -4.9482 -4.9482 -4.9321 -4.9301 -4.7900 -4.7900 -1.3418 -1.3418 -0.7899 -0.7899 -0.7857 -0.7750 0.3740 0.3821 0.3836 0.3836 0.4916 0.4916 0.9300 0.9300 1.4009 1.4066 1.4066 1.4115 1.6939 1.6939 1.9723 1.9784 1.9784 1.9808 5.2743 5.2743 7.5711 7.5767 7.6010 7.6010 9.3429 9.3673 9.3673 9.3710 11.0223 11.0223 11.5474 11.5474 11.5645 11.5660 k = 0.3333 0.5774 0.4544 ( 4146 PWs) bands (ev): -18.2050 -18.2050 -17.2558 -17.2532 -17.2529 -17.2529 -15.4580 -15.4580 -15.3802 -15.3763 -15.3763 -15.3726 -9.3415 -9.3312 -9.3307 -9.3307 -7.2464 -7.2464 -4.9482 -4.9482 -4.9321 -4.9301 -4.7900 -4.7900 -1.3418 -1.3418 -0.7899 -0.7899 -0.7857 -0.7750 0.3740 0.3821 0.3836 0.3836 0.4916 0.4916 0.9300 0.9300 1.4009 1.4066 1.4066 1.4115 1.6939 1.6939 1.9723 1.9784 1.9784 1.9808 5.2743 5.2743 7.5711 7.5767 7.6010 7.6010 9.3429 9.3673 9.3673 9.3710 11.0223 11.0223 11.5474 11.5474 11.5645 11.5660 k = 0.3256 0.5639 0.4544 ( 4150 PWs) bands (ev): -18.2051 -18.2051 -17.2882 -17.2869 -17.2199 -17.2187 -15.4581 -15.4578 -15.3801 -15.3764 -15.3761 -15.3724 -9.4052 -9.4001 -9.2674 -9.2624 -7.2463 -7.2455 -4.9501 -4.9492 -4.9318 -4.9296 -4.7903 -4.7890 -1.3416 -1.3415 -0.8139 -0.8095 -0.7610 -0.7545 0.3613 0.3661 0.3957 0.3993 0.4911 0.4911 0.9300 0.9302 1.3982 1.4037 1.4089 1.4138 1.6934 1.6935 1.9591 1.9632 1.9932 1.9972 5.2752 5.2756 7.5134 7.5164 7.6585 7.6613 9.3220 9.3399 9.3877 9.3998 11.0182 11.0195 11.5417 11.5443 11.5677 11.5680 k = 0.3178 0.5505 0.4544 ( 4162 PWs) bands (ev): -18.2055 -18.2054 -17.3227 -17.3215 -17.1840 -17.1827 -15.4580 -15.4575 -15.3799 -15.3762 -15.3757 -15.3721 -9.4761 -9.4714 -9.1979 -9.1927 -7.2454 -7.2438 -4.9543 -4.9522 -4.9315 -4.9289 -4.7898 -4.7873 -1.3410 -1.3408 -0.8387 -0.8339 -0.7340 -0.7278 0.3429 0.3473 0.4128 0.4169 0.4894 0.4894 0.9301 0.9304 1.3936 1.3990 1.4121 1.4170 1.6921 1.6922 1.9449 1.9484 2.0117 2.0157 5.2781 5.2789 7.4438 7.4462 7.7277 7.7312 9.2903 9.3088 9.4196 9.4330 11.0076 11.0100 11.5339 11.5389 11.5668 11.5676 k = 0.3101 0.5371 0.4544 ( 4154 PWs) bands (ev): -18.2061 -18.2060 -17.3577 -17.3565 -17.1464 -17.1452 -15.4577 -15.4569 -15.3795 -15.3758 -15.3751 -15.3716 -9.5491 -9.5448 -9.1273 -9.1220 -7.2437 -7.2413 -4.9599 -4.9565 -4.9320 -4.9288 -4.7887 -4.7848 -1.3398 -1.3396 -0.8621 -0.8572 -0.7066 -0.7004 0.3228 0.3270 0.4313 0.4356 0.4861 0.4862 0.9301 0.9306 1.3889 1.3941 1.4150 1.4197 1.6902 1.6903 1.9320 1.9350 2.0311 2.0349 5.2831 5.2844 7.3745 7.3767 7.7963 7.8003 9.2563 9.2759 9.4548 9.4688 10.9916 10.9949 11.5235 11.5302 11.5589 11.5605 k = 0.3023 0.5236 0.4544 ( 4152 PWs) bands (ev): -18.2069 -18.2068 -17.3930 -17.3919 -17.1073 -17.1061 -15.4572 -15.4562 -15.3790 -15.3752 -15.3744 -15.3709 -9.6241 -9.6200 -9.0559 -9.0505 -7.2412 -7.2380 -4.9666 -4.9619 -4.9336 -4.9300 -4.7867 -4.7815 -1.3382 -1.3378 -0.8841 -0.8792 -0.6791 -0.6728 0.3014 0.3054 0.4509 0.4554 0.4811 0.4814 0.9298 0.9305 1.3844 1.3894 1.4172 1.4217 1.6881 1.6882 1.9205 1.9230 2.0510 2.0547 5.2903 5.2920 7.3061 7.3080 7.8637 7.8682 9.2203 9.2412 9.4926 9.5070 10.9713 10.9752 11.5051 11.5131 11.5439 11.5462 k = 0.2946 0.5102 0.4544 ( 4160 PWs) bands (ev): -18.2080 -18.2078 -17.4287 -17.4276 -17.0668 -17.0656 -15.4565 -15.4553 -15.3784 -15.3744 -15.3736 -15.3700 -9.7007 -9.6969 -8.9837 -8.9784 -7.2380 -7.2340 -4.9741 -4.9681 -4.9366 -4.9324 -4.7839 -4.7774 -1.3360 -1.3356 -0.9046 -0.8996 -0.6514 -0.6450 0.2789 0.2828 0.4710 0.4740 0.4749 0.4769 0.9291 0.9300 1.3802 1.3850 1.4188 1.4230 1.6859 1.6859 1.9102 1.9122 2.0711 2.0746 5.2996 5.3017 7.2387 7.2405 7.9297 7.9347 9.1827 9.2047 9.5328 9.5474 10.9479 10.9521 11.4730 11.4823 11.5223 11.5254 k = 0.2868 0.4968 0.4544 ( 4160 PWs) bands (ev): -18.2093 -18.2091 -17.4645 -17.4635 -17.0247 -17.0235 -15.4556 -15.4541 -15.3776 -15.3734 -15.3726 -15.3690 -9.7790 -9.7754 -8.9111 -8.9057 -7.2342 -7.2294 -4.9823 -4.9752 -4.9410 -4.9363 -4.7802 -4.7725 -1.3333 -1.3328 -0.9234 -0.9186 -0.6235 -0.6170 0.2556 0.2592 0.4657 0.4663 0.4932 0.4977 0.9279 0.9291 1.3765 1.3811 1.4197 1.4236 1.6838 1.6838 1.9011 1.9025 2.0913 2.0947 5.3110 5.3136 7.1726 7.1742 7.9942 7.9995 9.1434 9.1666 9.5751 9.5901 10.9221 10.9263 11.4255 11.4358 11.4954 11.4992 k = 0.2791 0.4834 0.4544 ( 4152 PWs) bands (ev): -18.2108 -18.2105 -17.5004 -17.4994 -16.9812 -16.9801 -15.4545 -15.4528 -15.3767 -15.3722 -15.3715 -15.3678 -9.8587 -9.8554 -8.8381 -8.8327 -7.2297 -7.2241 -4.9913 -4.9830 -4.9469 -4.9417 -4.7757 -4.7669 -1.3299 -1.3293 -0.9407 -0.9358 -0.5955 -0.5889 0.2316 0.2350 0.4557 0.4563 0.5154 0.5198 0.9262 0.9276 1.3732 1.3775 1.4197 1.4234 1.6820 1.6821 1.8931 1.8940 2.1114 2.1146 5.3245 5.3275 7.1079 7.1094 8.0569 8.0624 9.1027 9.1269 9.6193 9.6346 10.8942 10.8982 11.3657 11.3767 11.4643 11.4687 k = 0.2713 0.4699 0.4544 ( 4154 PWs) bands (ev): -18.2126 -18.2122 -17.5363 -17.5354 -16.9363 -16.9352 -15.4532 -15.4513 -15.3757 -15.3708 -15.3703 -15.3664 -9.9396 -9.9366 -8.7648 -8.7595 -7.2248 -7.2184 -5.0008 -4.9915 -4.9543 -4.9485 -4.7705 -4.7605 -1.3260 -1.3253 -0.9562 -0.9514 -0.5674 -0.5608 0.2070 0.2102 0.4441 0.4449 0.5380 0.5424 0.9240 0.9256 1.3701 1.3741 1.4190 1.4222 1.6808 1.6809 1.8863 1.8866 2.1313 2.1342 5.3402 5.3436 7.0448 7.0462 8.1175 8.1233 9.0605 9.0857 9.6650 9.6807 10.8639 10.8674 11.2988 11.3101 11.4298 11.4347 k = 0.2636 0.4565 0.4544 ( 4150 PWs) bands (ev): -18.2145 -18.2141 -17.5722 -17.5713 -16.8901 -16.8890 -15.4518 -15.4495 -15.3747 -15.3692 -15.3691 -15.3648 -10.0218 -10.0189 -8.6915 -8.6862 -7.2193 -7.2122 -5.0110 -5.0008 -4.9630 -4.9568 -4.7644 -4.7535 -1.3214 -1.3207 -0.9699 -0.9652 -0.5393 -0.5326 0.1820 0.1850 0.4312 0.4321 0.5610 0.5651 0.9212 0.9230 1.3671 1.3707 1.4173 1.4202 1.6804 1.6806 1.8803 1.8806 2.1507 2.1534 5.3579 5.3617 6.9834 6.9847 8.1761 8.1819 9.0171 9.0431 9.7119 9.7281 10.8304 10.8330 11.2300 11.2410 11.3931 11.3983 k = 0.2558 0.4431 0.4544 ( 4150 PWs) bands (ev): -18.2166 -18.2162 -17.6078 -17.6069 -16.8425 -16.8415 -15.4501 -15.4476 -15.3736 -15.3678 -15.3675 -15.3630 -10.1049 -10.1023 -8.6183 -8.6130 -7.2134 -7.2057 -5.0217 -5.0107 -4.9731 -4.9665 -4.7576 -4.7457 -1.3162 -1.3154 -0.9820 -0.9773 -0.5111 -0.5045 0.1566 0.1594 0.4171 0.4181 0.5840 0.5879 0.9179 0.9198 1.3638 1.3671 1.4148 1.4172 1.6810 1.6812 1.8752 1.8761 2.1696 2.1722 5.3777 5.3819 6.9238 6.9252 8.2322 8.2381 8.9726 8.9992 9.7596 9.7764 10.7920 10.7931 11.1637 11.1738 11.3552 11.3605 k = 0.2481 0.4297 0.4544 ( 4144 PWs) bands (ev): -18.2189 -18.2185 -17.6431 -17.6423 -16.7937 -16.7927 -15.4482 -15.4455 -15.3725 -15.3665 -15.3655 -15.3611 -10.1889 -10.1865 -8.5453 -8.5401 -7.2072 -7.1988 -5.0330 -5.0212 -4.9846 -4.9774 -4.7501 -4.7374 -1.3103 -1.3093 -0.9922 -0.9877 -0.4830 -0.4764 0.1311 0.1336 0.4021 0.4033 0.6069 0.6105 0.9140 0.9161 1.3599 1.3628 1.4112 1.4132 1.6827 1.6830 1.8715 1.8729 2.1880 2.1904 5.3995 5.4041 6.8663 6.8677 8.2858 8.2916 8.9271 8.9543 9.8074 9.8249 10.7456 10.7465 11.1040 11.1126 11.3170 11.3224 k = 0.2403 0.4162 0.4544 ( 4140 PWs) bands (ev): -18.2214 -18.2209 -17.6781 -17.6773 -16.7438 -16.7428 -15.4462 -15.4433 -15.3713 -15.3652 -15.3634 -15.3590 -10.2736 -10.2714 -8.4726 -8.4675 -7.2006 -7.1916 -5.0447 -5.0324 -4.9972 -4.9897 -4.7419 -4.7285 -1.3036 -1.3026 -1.0007 -0.9963 -0.4549 -0.4483 0.1054 0.1077 0.3864 0.3876 0.6294 0.6326 0.9097 0.9118 1.3552 1.3577 1.4066 1.4081 1.6856 1.6860 1.8691 1.8710 2.2058 2.2080 5.4233 5.4283 6.8110 6.8124 8.3367 8.3424 8.8807 8.9084 9.8548 9.8731 10.6884 10.6919 11.0540 11.0607 11.2799 11.2851 k = 0.2326 0.4028 0.4544 ( 4140 PWs) bands (ev): -18.2240 -18.2235 -17.7127 -17.7119 -16.6927 -16.6917 -15.4441 -15.4409 -15.3701 -15.3639 -15.3611 -15.3568 -10.3589 -10.3569 -8.4004 -8.3954 -7.1938 -7.1841 -5.0570 -5.0442 -5.0110 -5.0031 -4.7331 -4.7192 -1.2962 -1.2952 -1.0075 -1.0031 -0.4268 -0.4203 0.0799 0.0819 0.3702 0.3714 0.6511 0.6539 0.9049 0.9071 1.3494 1.3515 1.4009 1.4020 1.6900 1.6905 1.8682 1.8706 2.2229 2.2249 5.4491 5.4544 6.7581 6.7594 8.3847 8.3902 8.8338 8.8617 9.9007 9.9200 10.6212 10.6271 11.0151 11.0196 11.2449 11.2498 k = 0.2248 0.3894 0.4544 ( 4140 PWs) bands (ev): -18.2267 -18.2262 -17.7467 -17.7460 -16.6405 -16.6396 -15.4418 -15.4383 -15.3690 -15.3625 -15.3587 -15.3543 -10.4447 -10.4429 -8.3288 -8.3239 -7.1867 -7.1765 -5.0698 -5.0566 -5.0258 -5.0176 -4.7238 -4.7093 -1.2880 -1.2869 -1.0126 -1.0083 -0.3988 -0.3924 0.0545 0.0563 0.3536 0.3549 0.6720 0.6742 0.8996 0.9020 1.3421 1.3438 1.3943 1.3949 1.6959 1.6965 1.8688 1.8717 2.2392 2.2411 5.4768 5.4824 6.7076 6.7090 8.4295 8.4349 8.7865 8.8146 9.9442 9.9647 10.5449 10.5532 10.9865 10.9891 11.2135 11.2180 k = 0.2171 0.3759 0.4544 ( 4144 PWs) bands (ev): -18.2296 -18.2291 -17.7802 -17.7795 -16.5874 -16.5866 -15.4393 -15.4357 -15.3678 -15.3612 -15.3561 -15.3518 -10.5309 -10.5292 -8.2578 -8.2531 -7.1795 -7.1688 -5.0830 -5.0695 -5.0415 -5.0331 -4.7139 -4.6990 -1.2791 -1.2779 -1.0161 -1.0119 -0.3708 -0.3646 0.0294 0.0310 0.3368 0.3381 0.6916 0.6933 0.8939 0.8965 1.3332 1.3345 1.3866 1.3868 1.7034 1.7041 1.8710 1.8742 2.2548 2.2565 5.5063 5.5122 6.6598 6.6613 8.4709 8.4762 8.7392 8.7671 9.9842 10.0059 10.4618 10.4719 10.9665 10.9677 11.1871 11.1910 k = 0.2093 0.3625 0.4544 ( 4156 PWs) bands (ev): -18.2326 -18.2321 -17.8130 -17.8124 -16.5334 -16.5326 -15.4368 -15.4329 -15.3666 -15.3599 -15.3534 -15.3491 -10.6172 -10.6156 -8.1877 -8.1832 -7.1721 -7.1609 -5.0966 -5.0831 -5.0580 -5.0495 -4.7037 -4.6884 -1.2693 -1.2681 -1.0180 -1.0139 -0.3430 -0.3369 0.0047 0.0061 0.3200 0.3214 0.7097 0.7108 0.8879 0.8905 1.3226 1.3236 1.3777 1.3779 1.7124 1.7132 1.8747 1.8782 2.2696 2.2712 5.5376 5.5437 6.6148 6.6164 8.5085 8.5141 8.6923 8.7195 10.0192 10.0423 10.3737 10.3853 10.9535 10.9536 11.1671 11.1704 k = 0.2016 0.3491 0.4544 ( 4152 PWs) bands (ev): -18.2356 -18.2351 -17.8451 -17.8446 -16.4786 -16.4778 -15.4341 -15.4301 -15.3655 -15.3587 -15.3505 -15.3464 -10.7035 -10.7021 -8.1186 -8.1142 -7.1647 -7.1531 -5.1107 -5.0973 -5.0750 -5.0666 -4.6930 -4.6775 -1.2588 -1.2575 -1.0185 -1.0144 -0.3152 -0.3093 -0.0194 -0.0182 0.3034 0.3047 0.7262 0.7267 0.8815 0.8843 1.3101 1.3109 1.3678 1.3684 1.7231 1.7240 1.8798 1.8835 2.2837 2.2852 5.5706 5.5769 6.5728 6.5744 8.5409 8.5480 8.6472 8.6724 10.0481 10.0726 10.2825 10.2952 10.9454 10.9460 11.1552 11.1578 k = 0.1938 0.3357 0.4544 ( 4152 PWs) bands (ev): -18.2388 -18.2382 -17.8765 -17.8759 -16.4231 -16.4223 -15.4314 -15.4271 -15.3644 -15.3574 -15.3476 -15.3435 -10.7898 -10.7885 -8.0505 -8.0463 -7.1571 -7.1452 -5.1251 -5.1123 -5.0924 -5.0843 -4.6821 -4.6663 -1.2474 -1.2461 -1.0176 -1.0136 -0.2876 -0.2819 -0.0429 -0.0419 0.2870 0.2884 0.7406 0.7408 0.8747 0.8777 1.2959 1.2964 1.3571 1.3580 1.7353 1.7363 1.8862 1.8902 2.2970 2.2983 5.6051 5.6117 6.5339 6.5356 8.5595 8.5764 8.6126 8.6274 10.0695 10.0950 10.1896 10.2028 10.9419 10.9430 11.1525 11.1545 k = 0.1860 0.3222 0.4544 ( 4150 PWs) bands (ev): -18.2420 -18.2414 -17.9070 -17.9065 -16.3669 -16.3662 -15.4286 -15.4242 -15.3633 -15.3562 -15.3446 -15.3406 -10.8758 -10.8747 -7.9835 -7.9795 -7.1496 -7.1374 -5.1400 -5.1280 -5.1099 -5.1026 -4.6708 -4.6550 -1.2353 -1.2339 -1.0154 -1.0115 -0.2601 -0.2546 -0.0656 -0.0648 0.2712 0.2724 0.7525 0.7533 0.8676 0.8707 1.2798 1.2803 1.3456 1.3469 1.7489 1.7501 1.8938 1.8979 2.3095 2.3108 5.6412 5.6479 6.4982 6.4999 8.5364 8.5708 8.6132 8.6166 10.0803 10.0876 10.1116 10.1171 10.9422 10.9437 11.1599 11.1614 k = 0.1783 0.3088 0.4544 ( 4150 PWs) bands (ev): -18.2452 -18.2446 -17.9366 -17.9362 -16.3103 -16.3096 -15.4258 -15.4211 -15.3622 -15.3551 -15.3415 -15.3376 -10.9614 -10.9604 -7.9178 -7.9141 -7.1421 -7.1296 -5.1552 -5.1446 -5.1273 -5.1212 -4.6594 -4.6435 -1.2223 -1.2209 -1.0121 -1.0083 -0.2328 -0.2276 -0.0874 -0.0867 0.2558 0.2570 0.7621 0.7636 0.8602 0.8635 1.2621 1.2625 1.3335 1.3351 1.7639 1.7653 1.9025 1.9066 2.3213 2.3225 5.6786 5.6855 6.4658 6.4676 8.4943 8.5277 8.6332 8.6364 9.9964 10.0116 10.0910 10.1192 10.9458 10.9476 11.1778 11.1789 k = 0.1705 0.2954 0.4544 ( 4150 PWs) bands (ev): -18.2484 -18.2479 -17.9653 -17.9649 -16.2532 -16.2526 -15.4229 -15.4181 -15.3612 -15.3540 -15.3383 -15.3345 -11.0464 -11.0455 -7.8535 -7.8500 -7.1346 -7.1220 -5.1708 -5.1620 -5.1445 -5.1400 -4.6478 -4.6320 -1.2086 -1.2072 -1.0078 -1.0041 -0.2057 -0.2007 -0.1083 -0.1077 0.2412 0.2423 0.7695 0.7716 0.8525 0.8560 1.2429 1.2433 1.3209 1.3227 1.7802 1.7817 1.9120 1.9162 2.3324 2.3335 5.7173 5.7243 6.4369 6.4388 8.4501 8.4828 8.6520 8.6553 9.9010 9.9171 10.0882 10.1174 10.9523 10.9543 11.2058 11.2067 k = 0.1628 0.2820 0.4544 ( 4146 PWs) bands (ev): -18.2516 -18.2511 -17.9931 -17.9927 -16.1960 -16.1953 -15.4200 -15.4150 -15.3603 -15.3530 -15.3351 -15.3314 -11.1307 -11.1299 -7.7907 -7.7874 -7.1273 -7.1145 -5.1867 -5.1801 -5.1614 -5.1589 -4.6362 -4.6205 -1.1941 -1.1927 -1.0027 -0.9991 -0.1788 -0.1741 -0.1281 -0.1275 0.2275 0.2284 0.7746 0.7772 0.8445 0.8482 1.2223 1.2227 1.3078 1.3099 1.7975 1.7991 1.9222 1.9263 2.3427 2.3438 5.7571 5.7642 6.4114 6.4134 8.4062 8.4384 8.6673 8.6710 9.8055 9.8221 10.0792 10.1089 10.9611 10.9634 11.2430 11.2439 k = 0.1550 0.2685 0.4544 ( 4138 PWs) bands (ev): -18.2549 -18.2543 -18.0198 -18.0194 -16.1386 -16.1380 -15.4171 -15.4120 -15.3594 -15.3521 -15.3319 -15.3283 -11.2140 -11.2133 -7.7294 -7.7264 -7.1200 -7.1071 -5.2030 -5.1986 -5.1782 -5.1778 -4.6246 -4.6091 -1.1790 -1.1775 -0.9969 -0.9934 -0.1533 -0.1488 -0.1456 -0.1451 0.2147 0.2155 0.7774 0.7805 0.8362 0.8401 1.2005 1.2011 1.2943 1.2966 1.8157 1.8173 1.9329 1.9370 2.3523 2.3533 5.7979 5.8051 6.3896 6.3915 8.3631 8.3951 8.6786 8.6829 9.7104 9.7276 10.0648 10.0947 10.9722 10.9746 11.2881 11.2891 k = 0.1473 0.2551 0.4544 ( 4142 PWs) bands (ev): -18.2580 -18.2575 -18.0454 -18.0451 -16.0813 -16.0807 -15.4142 -15.4089 -15.3585 -15.3512 -15.3287 -15.3252 -11.2963 -11.2956 -7.6699 -7.6671 -7.1129 -7.1000 -5.2195 -5.2174 -5.1964 -5.1948 -4.6131 -4.5978 -1.1632 -1.1617 -0.9906 -0.9872 -0.1643 -0.1642 -0.1253 -0.1215 0.2030 0.2036 0.7779 0.7814 0.8275 0.8316 1.1777 1.1785 1.2806 1.2831 1.8345 1.8362 1.9440 1.9479 2.3612 2.3623 5.8395 5.8468 6.3713 6.3733 8.3213 8.3531 8.6860 8.6909 9.6160 9.6337 10.0465 10.0763 10.9851 10.9877 11.3397 11.3409 k = 0.1395 0.2417 0.4544 ( 4150 PWs) bands (ev): -18.2612 -18.2607 -18.0700 -18.0696 -16.0242 -16.0237 -15.4113 -15.4059 -15.3578 -15.3504 -15.3255 -15.3222 -11.3772 -11.3766 -7.6121 -7.6096 -7.1059 -7.0932 -5.2362 -5.2361 -5.2148 -5.2115 -4.6017 -4.5867 -1.1468 -1.1454 -0.9839 -0.9806 -0.1804 -0.1803 -0.0993 -0.0957 0.1925 0.1929 0.7762 0.7800 0.8185 0.8228 1.1542 1.1552 1.2667 1.2693 1.8538 1.8555 1.9552 1.9590 2.3695 2.3705 5.8818 5.8890 6.3565 6.3585 8.2809 8.3125 8.6895 8.6949 9.5228 9.5409 10.0255 10.0550 10.9997 11.0024 11.3963 11.3979 k = 0.1318 0.2283 0.4544 ( 4146 PWs) bands (ev): -18.2643 -18.2637 -18.0934 -18.0931 -15.9676 -15.9671 -15.4085 -15.4029 -15.3571 -15.3497 -15.3223 -15.3191 -11.4565 -11.4560 -7.5562 -7.5540 -7.0992 -7.0865 -5.2546 -5.2531 -5.2328 -5.2280 -4.5904 -4.5759 -1.1300 -1.1286 -0.9770 -0.9739 -0.1954 -0.1952 -0.0736 -0.0703 0.1834 0.1835 0.7724 0.7765 0.8091 0.8137 1.1301 1.1315 1.2527 1.2555 1.8733 1.8750 1.9665 1.9701 2.3771 2.3781 5.9246 5.9317 6.3454 6.3473 8.2421 8.2736 8.6890 8.6950 9.4310 9.4495 10.0030 10.0320 11.0158 11.0185 11.4568 11.4587 k = 0.1240 0.2148 0.4544 ( 4146 PWs) bands (ev): -18.2672 -18.2668 -18.1156 -18.1153 -15.9116 -15.9111 -15.4056 -15.4000 -15.3564 -15.3491 -15.3192 -15.3162 -11.5340 -11.5336 -7.5024 -7.5005 -7.0926 -7.0802 -5.2727 -5.2700 -5.2504 -5.2445 -4.5795 -4.5654 -1.1127 -1.1114 -0.9701 -0.9671 -0.2090 -0.2089 -0.0482 -0.0452 0.1756 0.1757 0.7667 0.7709 0.7992 0.8040 1.1058 1.1075 1.2387 1.2415 1.8929 1.8944 1.9777 1.9811 2.3841 2.3851 5.9676 5.9746 6.3376 6.3395 8.2051 8.2364 8.6847 8.6912 9.3408 9.3597 9.9801 10.0084 11.0331 11.0358 11.5198 11.5220 k = 0.1163 0.2014 0.4544 ( 4146 PWs) bands (ev): -18.2701 -18.2697 -18.1367 -18.1364 -15.8565 -15.8561 -15.4029 -15.3972 -15.3558 -15.3486 -15.3162 -15.3133 -11.6095 -11.6091 -7.4508 -7.4491 -7.0863 -7.0742 -5.2903 -5.2867 -5.2674 -5.2609 -4.5688 -4.5553 -1.0953 -1.0939 -0.9633 -0.9604 -0.2213 -0.2212 -0.0233 -0.0206 0.1692 0.1696 0.7591 0.7635 0.7888 0.7939 1.0816 1.0836 1.2247 1.2277 1.9122 1.9137 1.9887 1.9919 2.3904 2.3914 6.0106 6.0175 6.3332 6.3350 8.1701 8.2012 8.6769 8.6837 9.2525 9.2718 9.9576 9.9850 11.0514 11.0541 11.5843 11.5869 k = 0.1085 0.1880 0.4544 ( 4160 PWs) bands (ev): -18.2729 -18.2725 -18.1565 -18.1563 -15.8025 -15.8021 -15.4002 -15.3944 -15.3553 -15.3481 -15.3132 -15.3105 -11.6827 -11.6823 -7.4014 -7.3999 -7.0803 -7.0686 -5.3073 -5.3032 -5.2840 -5.2771 -4.5586 -4.5456 -1.0776 -1.0764 -0.9568 -0.9540 -0.2324 -0.2323 0.0012 0.0034 0.1645 0.1652 0.7500 0.7544 0.7776 0.7831 1.0576 1.0601 1.2110 1.2140 1.9312 1.9326 1.9994 2.0024 2.3962 2.3972 6.0534 6.0602 6.3319 6.3337 8.1371 8.1681 8.6657 8.6727 9.1666 9.1861 9.9360 9.9623 11.0705 11.0732 11.6494 11.6523 k = 0.1008 0.1745 0.4544 ( 4156 PWs) bands (ev): -18.2756 -18.2751 -18.1750 -18.1748 -15.7499 -15.7496 -15.3975 -15.3918 -15.3549 -15.3478 -15.3104 -15.3079 -11.7532 -11.7529 -7.3544 -7.3532 -7.0745 -7.0633 -5.3236 -5.3193 -5.2999 -5.2930 -4.5487 -4.5364 -1.0600 -1.0588 -0.9506 -0.9479 -0.2423 -0.2421 0.0250 0.0270 0.1615 0.1625 0.7394 0.7439 0.7657 0.7715 1.0343 1.0371 1.1976 1.2005 1.9496 1.9508 2.0097 2.0125 2.4013 2.4024 6.0957 6.1023 6.3336 6.3352 8.1064 8.1371 8.6515 8.6587 9.0833 9.1029 9.9159 9.9410 11.0902 11.0929 11.7143 11.7174 k = 0.0930 0.1611 0.4544 ( 4148 PWs) bands (ev): -18.2781 -18.2777 -18.1923 -18.1921 -15.6991 -15.6988 -15.3949 -15.3892 -15.3545 -15.3475 -15.3077 -15.3053 -11.8207 -11.8205 -7.3100 -7.3091 -7.0691 -7.0583 -5.3391 -5.3347 -5.3153 -5.3085 -4.5393 -4.5278 -1.0426 -1.0414 -0.9448 -0.9423 -0.2510 -0.2508 0.0483 0.0498 0.1603 0.1615 0.7277 0.7322 0.7530 0.7592 1.0120 1.0152 1.1846 1.1874 1.9673 1.9683 2.0196 2.0222 2.4059 2.4070 6.1372 6.1435 6.3379 6.3394 8.0781 8.1084 8.6347 8.6420 9.0029 9.0226 9.8976 9.9212 11.1103 11.1130 11.7781 11.7814 k = 0.0853 0.1477 0.4544 ( 4156 PWs) bands (ev): -18.2804 -18.2801 -18.2083 -18.2081 -15.6503 -15.6500 -15.3925 -15.3868 -15.3542 -15.3474 -15.3051 -15.3030 -11.8850 -11.8848 -7.2683 -7.2676 -7.0639 -7.0538 -5.3536 -5.3495 -5.3299 -5.3236 -4.5305 -4.5197 -1.0255 -1.0244 -0.9395 -0.9372 -0.2587 -0.2585 0.0707 0.0719 0.1608 0.1624 0.7150 0.7195 0.7394 0.7459 0.9910 0.9945 1.1720 1.1748 1.9841 1.9849 2.0289 2.0312 2.4100 2.4110 6.1776 6.1836 6.3445 6.3459 8.0523 8.0821 8.6159 8.6232 8.9260 8.9455 9.8811 9.9032 11.1306 11.1331 11.8400 11.8436 k = 0.0775 0.1343 0.4544 ( 4160 PWs) bands (ev): -18.2826 -18.2823 -18.2229 -18.2228 -15.6038 -15.6036 -15.3901 -15.3846 -15.3539 -15.3473 -15.3027 -15.3008 -11.9456 -11.9454 -7.2295 -7.2289 -7.0591 -7.0496 -5.3672 -5.3635 -5.3438 -5.3379 -4.5222 -4.5122 -1.0089 -1.0079 -0.9348 -0.9326 -0.2654 -0.2651 0.0923 0.0932 0.1631 0.1650 0.7017 0.7061 0.7249 0.7316 0.9716 0.9753 1.1601 1.1627 1.9998 2.0005 2.0377 2.0397 2.4135 2.4146 6.2165 6.2222 6.3531 6.3543 8.0291 8.0583 8.5955 8.6027 8.8529 8.8721 9.8666 9.8870 11.1507 11.1532 11.8994 11.9031 k = 0.0698 0.1208 0.4544 ( 4164 PWs) bands (ev): -18.2846 -18.2843 -18.2362 -18.2361 -15.5601 -15.5600 -15.3878 -15.3825 -15.3537 -15.3474 -15.3005 -15.2987 -12.0021 -12.0020 -7.1937 -7.1933 -7.0547 -7.0459 -5.3798 -5.3765 -5.3567 -5.3515 -4.5146 -4.5055 -0.9930 -0.9922 -0.9306 -0.9286 -0.2712 -0.2708 0.1130 0.1135 0.1670 0.1692 0.6880 0.6922 0.7097 0.7165 0.9540 0.9578 1.1488 1.1512 2.0144 2.0149 2.0458 2.0476 2.4166 2.4176 6.2535 6.2589 6.3632 6.3642 8.0085 8.0369 8.5741 8.5814 8.7841 8.8027 9.8540 9.8726 11.1705 11.1728 11.9554 11.9593 k = 0.0620 0.1074 0.4544 ( 4170 PWs) bands (ev): -18.2865 -18.2862 -18.2482 -18.2481 -15.5196 -15.5194 -15.3857 -15.3806 -15.3535 -15.3475 -15.2985 -15.2969 -12.0542 -12.0541 -7.1611 -7.1608 -7.0506 -7.0426 -5.3913 -5.3885 -5.3686 -5.3642 -4.5076 -4.4993 -0.9781 -0.9774 -0.9270 -0.9251 -0.2761 -0.2758 0.1324 0.1326 0.1725 0.1749 0.6742 0.6782 0.6939 0.7006 0.9385 0.9423 1.1383 1.1406 2.0277 2.0280 2.0532 2.0547 2.4192 2.4202 6.2884 6.2933 6.3742 6.3751 7.9908 8.0180 8.5524 8.5597 8.7204 8.7380 9.8433 9.8600 11.1896 11.1917 12.0070 12.0111 k = 0.0543 0.0940 0.4544 ( 4176 PWs) bands (ev): -18.2881 -18.2879 -18.2588 -18.2587 -15.4826 -15.4825 -15.3836 -15.3789 -15.3533 -15.3477 -15.2967 -15.2953 -12.1015 -12.1013 -7.1318 -7.1316 -7.0469 -7.0398 -5.4016 -5.3995 -5.3794 -5.3758 -4.5012 -4.4940 -0.9643 -0.9637 -0.9239 -0.9222 -0.2803 -0.2800 0.1503 0.1505 0.1791 0.1817 0.6606 0.6644 0.6779 0.6842 0.9252 0.9287 1.1288 1.1308 2.0396 2.0397 2.0599 2.0612 2.4214 2.4223 6.3205 6.3250 6.3858 6.3866 7.9758 8.0015 8.5309 8.5383 8.6623 8.6784 9.8344 9.8491 11.2077 11.2096 12.0532 12.0575 k = 0.0465 0.0806 0.4544 ( 4176 PWs) bands (ev): -18.2895 -18.2893 -18.2680 -18.2679 -15.4495 -15.4494 -15.3817 -15.3774 -15.3530 -15.3480 -15.2950 -15.2939 -12.1434 -12.1433 -7.1060 -7.1059 -7.0435 -7.0373 -5.4107 -5.4092 -5.3890 -5.3862 -4.4956 -4.4893 -0.9519 -0.9514 -0.9213 -0.9198 -0.2838 -0.2835 0.1664 0.1668 0.1868 0.1895 0.6478 0.6510 0.6621 0.6679 0.9139 0.9171 1.1203 1.1221 2.0499 2.0500 2.0659 2.0669 2.4232 2.4241 6.3496 6.3536 6.3974 6.3980 7.9637 7.9874 8.5101 8.5178 8.6106 8.6246 9.8271 9.8397 11.2244 11.2261 12.0918 12.0964 k = 0.0388 0.0671 0.4544 ( 4168 PWs) bands (ev): -18.2907 -18.2906 -18.2758 -18.2757 -15.4209 -15.4208 -15.3798 -15.3761 -15.3527 -15.3484 -15.2937 -15.2927 -12.1798 -12.1797 -7.0839 -7.0839 -7.0406 -7.0354 -5.4186 -5.4176 -5.3972 -5.3951 -4.4907 -4.4854 -0.9410 -0.9406 -0.9192 -0.9179 -0.2867 -0.2864 0.1806 0.1812 0.1952 0.1978 0.6359 0.6386 0.6471 0.6522 0.9047 0.9075 1.1129 1.1144 2.0585 2.0588 2.0713 2.0720 2.4247 2.4254 6.3751 6.3786 6.4084 6.4090 7.9544 7.9756 8.4905 8.4988 8.5663 8.5775 9.8213 9.8319 11.2395 11.2410 12.1195 12.1238 k = 0.0310 0.0537 0.4544 ( 4172 PWs) bands (ev): -18.2918 -18.2916 -18.2821 -18.2821 -15.3973 -15.3970 -15.3777 -15.3749 -15.3524 -15.3488 -15.2925 -15.2918 -12.2101 -12.2100 -7.0656 -7.0656 -7.0381 -7.0339 -5.4252 -5.4247 -5.4040 -5.4026 -4.4866 -4.4823 -0.9318 -0.9315 -0.9174 -0.9164 -0.2890 -0.2888 0.1925 0.1931 0.2038 0.2061 0.6255 0.6275 0.6336 0.6377 0.8974 0.8997 1.1068 1.1080 2.0654 2.0658 2.0759 2.0763 2.4258 2.4265 6.3966 6.3995 6.4184 6.4188 7.9477 7.9658 8.4724 8.4814 8.5303 8.5379 9.8170 9.8255 11.2526 11.2538 12.1331 12.1363 k = 0.0233 0.0403 0.4544 ( 4172 PWs) bands (ev): -18.2925 -18.2924 -18.2871 -18.2871 -15.3818 -15.3801 -15.3728 -15.3722 -15.3519 -15.3492 -15.2917 -15.2911 -12.2340 -12.2340 -7.0512 -7.0512 -7.0360 -7.0328 -5.4305 -5.4302 -5.4094 -5.4085 -4.4833 -4.4800 -0.9246 -0.9245 -0.9160 -0.9151 -0.2908 -0.2906 0.2020 0.2023 0.2120 0.2137 0.6168 0.6180 0.6224 0.6251 0.8919 0.8937 1.1019 1.1028 2.0706 2.0711 2.0798 2.0800 2.4267 2.4272 6.4137 6.4161 6.4268 6.4273 7.9435 7.9579 8.4565 8.4657 8.5032 8.5071 9.8140 9.8204 11.2632 11.2641 12.1373 12.1400 k = 0.0155 0.0269 0.4544 ( 4170 PWs) bands (ev): -18.2931 -18.2930 -18.2907 -18.2906 -15.3778 -15.3759 -15.3626 -15.3619 -15.3510 -15.3495 -15.2910 -15.2907 -12.2514 -12.2513 -7.0409 -7.0408 -7.0343 -7.0322 -5.4343 -5.4342 -5.4133 -5.4128 -4.4807 -4.4785 -0.9196 -0.9195 -0.9148 -0.9141 -0.2920 -0.2919 0.2089 0.2090 0.2187 0.2198 0.6104 0.6106 0.6140 0.6154 0.8882 0.8894 1.0984 1.0991 2.0742 2.0746 2.0828 2.0829 2.4274 2.4277 6.4260 6.4276 6.4336 6.4339 7.9416 7.9516 8.4438 8.4518 8.4850 8.4862 9.8122 9.8165 11.2711 11.2717 12.1384 12.1420 k = 0.0078 0.0134 0.4544 ( 4178 PWs) bands (ev): -18.2934 -18.2934 -18.2928 -18.2928 -15.3765 -15.3755 -15.3556 -15.3548 -15.3495 -15.3492 -15.2906 -15.2905 -12.2618 -12.2618 -7.0347 -7.0346 -7.0331 -7.0321 -5.4367 -5.4367 -5.4156 -5.4154 -4.4789 -4.4779 -0.9170 -0.9170 -0.9135 -0.9131 -0.2927 -0.2927 0.2131 0.2131 0.2231 0.2237 0.6060 0.6063 0.6089 0.6091 0.8861 0.8867 1.0964 1.0967 2.0763 2.0765 2.0847 2.0847 2.4278 2.4280 6.4330 6.4337 6.4386 6.4386 7.9417 7.9468 8.4362 8.4408 8.4747 8.4749 9.8115 9.8137 11.2760 11.2763 12.1355 12.1404 k = 0.0000 0.0000 0.4544 ( 4198 PWs) bands (ev): -18.2936 -18.2936 -18.2934 -18.2934 -15.3757 -15.3757 -15.3535 -15.3535 -15.3483 -15.3483 -15.2905 -15.2905 -12.2653 -12.2653 -7.0327 -7.0327 -7.0323 -7.0323 -5.4375 -5.4375 -5.4163 -5.4163 -4.4780 -4.4780 -0.9163 -0.9163 -0.9127 -0.9127 -0.2930 -0.2930 0.2145 0.2145 0.2248 0.2248 0.6047 0.6047 0.6071 0.6071 0.8856 0.8856 1.0958 1.0958 2.0770 2.0770 2.0854 2.0854 2.4280 2.4280 6.4353 6.4353 6.4404 6.4404 7.9435 7.9435 8.4351 8.4351 8.4714 8.4714 9.8120 9.8120 11.2777 11.2777 12.1331 12.1340 k = 0.5000 0.2887 0.4544 ( 4148 PWs) bands (ev): -18.2265 -18.2265 -17.6035 -17.6035 -16.8437 -16.8437 -15.4541 -15.4541 -15.3710 -15.3710 -15.3340 -15.3340 -10.1884 -10.1884 -8.5816 -8.5816 -7.1267 -7.1267 -5.1239 -5.1239 -4.9107 -4.9107 -4.7524 -4.7524 -1.2747 -1.2747 -1.1671 -1.1671 -0.2437 -0.2437 0.2040 0.2040 0.2782 0.2782 0.5141 0.5141 1.1150 1.1150 1.2533 1.2533 1.2612 1.2612 1.5788 1.5788 1.9041 1.9041 2.4013 2.4013 5.5945 5.5945 6.3458 6.3458 8.8478 8.8478 9.1937 9.1937 9.4682 9.4682 10.5790 10.5790 11.0189 11.0189 11.3004 11.3004 k = 0.5000 0.2887 0.4393 ( 4152 PWs) bands (ev): -18.2267 -18.2266 -17.6036 -17.6036 -16.8434 -16.8432 -15.4540 -15.4539 -15.3713 -15.3709 -15.3341 -15.3338 -10.1890 -10.1885 -8.5819 -8.5818 -7.1263 -7.1253 -5.1272 -5.1240 -4.9099 -4.9068 -4.7539 -4.7531 -1.2742 -1.2739 -1.1670 -1.1668 -0.2444 -0.2435 0.2020 0.2038 0.2767 0.2789 0.5126 0.5135 1.1134 1.1151 1.2280 1.2331 1.2817 1.2868 1.5808 1.5811 1.9038 1.9041 2.4013 2.4016 5.5945 5.5953 6.3463 6.3477 8.8458 8.8495 9.1855 9.1870 9.4734 9.4748 10.5782 10.5786 11.0158 11.0178 11.3001 11.3010 k = 0.5000 0.2887 0.4242 ( 4150 PWs) bands (ev): -18.2272 -18.2271 -17.6037 -17.6037 -16.8425 -16.8421 -15.4537 -15.4534 -15.3719 -15.3711 -15.3343 -15.3337 -10.1902 -10.1892 -8.5829 -8.5826 -7.1238 -7.1218 -5.1334 -5.1273 -4.9046 -4.8988 -4.7574 -4.7559 -1.2723 -1.2718 -1.1665 -1.1661 -0.2456 -0.2438 0.1978 0.2011 0.2748 0.2789 0.5090 0.5107 1.1099 1.1134 1.2027 1.2082 1.3082 1.3134 1.5870 1.5877 1.9030 1.9037 2.4016 2.4020 5.5955 5.5970 6.3492 6.3519 8.8436 8.8510 9.1642 9.1672 9.4888 9.4914 10.5763 10.5771 11.0088 11.0127 11.2996 11.3015 k = 0.5000 0.2887 0.4090 ( 4150 PWs) bands (ev): -18.2280 -18.2279 -17.6041 -17.6040 -16.8409 -16.8403 -15.4531 -15.4526 -15.3728 -15.3715 -15.3345 -15.3336 -10.1920 -10.1906 -8.5844 -8.5840 -7.1193 -7.1164 -5.1419 -5.1335 -4.8953 -4.8873 -4.7630 -4.7608 -1.2691 -1.2684 -1.1656 -1.1649 -0.2472 -0.2445 0.1914 0.1959 0.2725 0.2783 0.5034 0.5058 1.1030 1.1087 1.1803 1.1864 1.3341 1.3395 1.5973 1.5982 1.9021 1.9031 2.4021 2.4028 5.5974 5.5997 6.3544 6.3584 8.8407 8.8523 9.1333 9.1382 9.5108 9.5144 10.5734 10.5745 10.9987 11.0042 11.2981 11.3010 k = 0.5000 0.2887 0.3939 ( 4140 PWs) bands (ev): -18.2292 -18.2289 -17.6045 -17.6045 -16.8387 -16.8378 -15.4523 -15.4516 -15.3739 -15.3723 -15.3347 -15.3335 -10.1944 -10.1925 -8.5865 -8.5860 -7.1130 -7.1091 -5.1519 -5.1419 -4.8827 -4.8731 -4.7706 -4.7675 -1.2645 -1.2637 -1.1643 -1.1634 -0.2492 -0.2457 0.1825 0.1879 0.2703 0.2773 0.4961 0.4992 1.0906 1.0983 1.1635 1.1702 1.3591 1.3648 1.6112 1.6123 1.9011 1.9024 2.4028 2.4037 5.6003 5.6032 6.3619 6.3672 8.8370 8.8531 9.0962 9.1037 9.5360 9.5405 10.5698 10.5711 10.9863 10.9931 11.2939 11.2981 k = 0.5000 0.2887 0.3787 ( 4152 PWs) bands (ev): -18.2306 -18.2303 -17.6050 -17.6050 -16.8358 -16.8347 -15.4512 -15.4504 -15.3753 -15.3733 -15.3350 -15.3335 -10.1974 -10.1951 -8.5891 -8.5885 -7.1047 -7.1000 -5.1630 -5.1517 -4.8678 -4.8571 -4.7799 -4.7760 -1.2587 -1.2577 -1.1626 -1.1615 -0.2517 -0.2472 0.1712 0.1770 0.2682 0.2759 0.4873 0.4911 1.0716 1.0803 1.1543 1.1607 1.3829 1.3889 1.6283 1.6296 1.9003 1.9019 2.4038 2.4049 5.6040 5.6077 6.3715 6.3781 8.8316 8.8531 9.0555 9.0667 9.5624 9.5676 10.5656 10.5671 10.9723 10.9801 11.2857 11.2913 k = 0.5000 0.2887 0.3636 ( 4156 PWs) bands (ev): -18.2323 -18.2320 -17.6057 -17.6056 -16.8323 -16.8310 -15.4499 -15.4489 -15.3768 -15.3745 -15.3352 -15.3336 -10.2010 -10.1983 -8.5923 -8.5916 -7.0946 -7.0890 -5.1745 -5.1624 -4.8517 -4.8404 -4.7904 -4.7853 -1.2517 -1.2504 -1.1606 -1.1592 -0.2544 -0.2492 0.1575 0.1633 0.2663 0.2744 0.4774 0.4817 1.0476 1.0564 1.1510 1.1565 1.4056 1.4119 1.6479 1.6491 1.9001 1.9019 2.4051 2.4064 5.6088 5.6131 6.3832 6.3910 8.8233 8.8513 9.0133 9.0300 9.5884 9.5944 10.5612 10.5626 10.9575 10.9660 11.2723 11.2795 k = 0.5000 0.2887 0.3484 ( 4160 PWs) bands (ev): -18.2342 -18.2339 -17.6064 -17.6064 -16.8283 -16.8268 -15.4484 -15.4472 -15.3785 -15.3759 -15.3356 -15.3337 -10.2050 -10.2019 -8.5959 -8.5951 -7.0828 -7.0764 -5.1862 -5.1735 -4.8371 -4.8269 -4.7994 -4.7927 -1.2435 -1.2420 -1.1582 -1.1566 -0.2575 -0.2514 0.1413 0.1470 0.2647 0.2728 0.4667 0.4715 1.0205 1.0293 1.1510 1.1557 1.4269 1.4337 1.6688 1.6700 1.9011 1.9031 2.4066 2.4080 5.6145 5.6195 6.3968 6.4058 8.8098 8.8454 8.9730 8.9968 9.6133 9.6199 10.5566 10.5580 10.9422 10.9511 11.2533 11.2620 k = 0.5000 0.2887 0.3333 ( 4156 PWs) bands (ev): -18.2364 -18.2360 -17.6072 -17.6072 -16.8237 -16.8221 -15.4467 -15.4454 -15.3803 -15.3775 -15.3359 -15.3339 -10.2094 -10.2060 -8.5999 -8.5990 -7.0693 -7.0621 -5.1977 -5.1848 -4.8333 -4.8285 -4.7966 -4.7874 -1.2341 -1.2325 -1.1554 -1.1535 -0.2608 -0.2539 0.1229 0.1282 0.2632 0.2712 0.4555 0.4607 0.9916 1.0003 1.1530 1.1571 1.4470 1.4541 1.6898 1.6910 1.9041 1.9062 2.4084 2.4099 5.6212 5.6268 6.4122 6.4222 8.7885 8.8305 8.9400 8.9705 9.6366 9.6437 10.5519 10.5533 10.9264 10.9354 11.2291 11.2393 k = 0.5000 0.2887 0.3181 ( 4146 PWs) bands (ev): -18.2388 -18.2384 -17.6081 -17.6081 -16.8187 -16.8169 -15.4448 -15.4433 -15.3822 -15.3793 -15.3363 -15.3341 -10.2143 -10.2106 -8.6044 -8.6034 -7.0542 -7.0463 -5.2090 -5.1959 -4.8449 -4.8413 -4.7811 -4.7703 -1.2238 -1.2219 -1.1523 -1.1500 -0.2642 -0.2566 0.1025 0.1074 0.2617 0.2694 0.4442 0.4497 0.9614 0.9701 1.1564 1.1600 1.4658 1.4734 1.7096 1.7106 1.9100 1.9122 2.4104 2.4121 5.6289 5.6351 6.4291 6.4402 8.7578 8.8011 8.9204 8.9534 9.6578 9.6655 10.5473 10.5486 10.9092 10.9181 11.2015 11.2127 k = 0.5000 0.2887 0.3030 ( 4154 PWs) bands (ev): -18.2413 -18.2409 -17.6091 -17.6091 -16.8132 -16.8114 -15.4428 -15.4412 -15.3842 -15.3812 -15.3368 -15.3345 -10.2194 -10.2155 -8.6091 -8.6081 -7.0377 -7.0292 -5.2198 -5.2068 -4.8622 -4.8579 -4.7613 -4.7501 -1.2125 -1.2104 -1.1488 -1.1461 -0.2676 -0.2593 0.0803 0.0847 0.2601 0.2675 0.4330 0.4387 0.9303 0.9390 1.1610 1.1642 1.4833 1.4912 1.7266 1.7274 1.9199 1.9220 2.4127 2.4145 5.6376 5.6443 6.4473 6.4594 8.7183 8.7589 8.9131 8.9452 9.6769 9.6849 10.5427 10.5438 10.8891 10.8979 11.1732 11.1850 k = 0.5000 0.2887 0.2878 ( 4150 PWs) bands (ev): -18.2440 -18.2436 -17.6102 -17.6101 -16.8074 -16.8055 -15.4407 -15.4390 -15.3862 -15.3831 -15.3373 -15.3349 -10.2249 -10.2208 -8.6142 -8.6130 -7.0199 -7.0108 -5.2302 -5.2173 -4.8818 -4.8768 -4.7402 -4.7290 -1.2006 -1.1981 -1.1449 -1.1416 -0.2711 -0.2621 0.0565 0.0605 0.2584 0.2655 0.4222 0.4280 0.8984 0.9071 1.1665 1.1695 1.4995 1.5077 1.7398 1.7403 1.9345 1.9364 2.4152 2.4171 5.6474 5.6546 6.4667 6.4796 8.6726 8.7095 8.9130 8.9439 9.6937 9.7020 10.5379 10.5391 10.8636 10.8727 11.1478 11.1596 k = 0.5000 0.2887 0.2727 ( 4156 PWs) bands (ev): -18.2468 -18.2464 -17.6112 -17.6112 -16.8014 -16.7993 -15.4385 -15.4367 -15.3882 -15.3852 -15.3379 -15.3354 -10.2305 -10.2263 -8.6194 -8.6183 -7.0008 -6.9912 -5.2399 -5.2273 -4.9029 -4.8974 -4.7187 -4.7076 -1.1883 -1.1852 -1.1404 -1.1364 -0.2744 -0.2648 0.0314 0.0351 0.2565 0.2632 0.4120 0.4177 0.8659 0.8746 1.1730 1.1758 1.5142 1.5227 1.7488 1.7492 1.9537 1.9554 2.4180 2.4199 5.6581 5.6658 6.4870 6.5006 8.6228 8.6565 8.9172 8.9475 9.7083 9.7168 10.5328 10.5341 10.8301 10.8405 11.1289 11.1403 k = 0.5000 0.2887 0.2575 ( 4156 PWs) bands (ev): -18.2497 -18.2492 -17.6124 -17.6123 -16.7951 -16.7929 -15.4363 -15.4344 -15.3902 -15.3872 -15.3385 -15.3360 -10.2363 -10.2319 -8.6248 -8.6237 -6.9807 -6.9708 -5.2491 -5.2367 -4.9251 -4.9193 -4.6970 -4.6863 -1.1761 -1.1721 -1.1352 -1.1300 -0.2776 -0.2673 0.0053 0.0088 0.2544 0.2608 0.4024 0.4081 0.8328 0.8416 1.1804 1.1832 1.5273 1.5360 1.7539 1.7546 1.9767 1.9782 2.4210 2.4229 5.6699 5.6779 6.5079 6.5221 8.5705 8.6016 8.9244 8.9550 9.7209 9.7295 10.5272 10.5286 10.7876 10.8004 11.1187 11.1294 k = 0.5000 0.2887 0.2424 ( 4152 PWs) bands (ev): -18.2526 -18.2521 -17.6135 -17.6134 -16.7886 -16.7864 -15.4341 -15.4322 -15.3920 -15.3892 -15.3392 -15.3366 -10.2422 -10.2377 -8.6304 -8.6292 -6.9598 -6.9495 -5.2577 -5.2457 -4.9483 -4.9421 -4.6755 -4.6651 -1.1646 -1.1596 -1.1284 -1.1220 -0.2805 -0.2697 -0.0214 -0.0182 0.2522 0.2582 0.3936 0.3992 0.7993 0.8081 1.1888 1.1915 1.5386 1.5475 1.7563 1.7572 2.0025 2.0038 2.4242 2.4262 5.6827 5.6910 6.5291 6.5437 8.5168 8.5459 8.9344 8.9656 9.7315 9.7401 10.5205 10.5222 10.7372 10.7527 11.1176 11.1277 k = 0.5000 0.2887 0.2272 ( 4142 PWs) bands (ev): -18.2555 -18.2550 -17.6146 -17.6146 -16.7821 -16.7799 -15.4320 -15.4301 -15.3936 -15.3911 -15.3400 -15.3373 -10.2480 -10.2436 -8.6359 -8.6347 -6.9382 -6.9277 -5.2655 -5.2540 -4.9722 -4.9658 -4.6544 -4.6444 -1.1547 -1.1489 -1.1192 -1.1119 -0.2831 -0.2719 -0.0485 -0.0454 0.2498 0.2556 0.3855 0.3910 0.7655 0.7743 1.1981 1.2009 1.5478 1.5569 1.7569 1.7582 2.0299 2.0311 2.4277 2.4296 5.6965 5.7050 6.5504 6.5654 8.4626 8.4899 8.9471 8.9791 9.7405 9.7490 10.5117 10.5137 10.6817 10.7000 11.1246 11.1341 k = 0.5000 0.2887 0.2121 ( 4146 PWs) bands (ev): -18.2584 -18.2579 -17.6158 -17.6157 -16.7755 -16.7733 -15.4302 -15.4282 -15.3950 -15.3928 -15.3408 -15.3381 -10.2538 -10.2495 -8.6415 -8.6403 -6.9161 -6.9055 -5.2728 -5.2618 -4.9965 -4.9899 -4.6338 -4.6243 -1.1465 -1.1407 -1.1069 -1.0994 -0.2856 -0.2739 -0.0756 -0.0725 0.2474 0.2529 0.3782 0.3836 0.7315 0.7403 1.2084 1.2112 1.5548 1.5639 1.7567 1.7582 2.0579 2.0590 2.4313 2.4332 5.7110 5.7197 6.5716 6.5867 8.4084 8.4341 8.9625 8.9953 9.7479 9.7563 10.4981 10.5003 10.6259 10.6464 11.1381 11.1471 k = 0.5000 0.2887 0.1969 ( 4144 PWs) bands (ev): -18.2613 -18.2608 -17.6169 -17.6169 -16.7690 -16.7668 -15.4285 -15.4267 -15.3960 -15.3942 -15.3416 -15.3390 -10.2595 -10.2552 -8.6470 -8.6458 -6.8937 -6.8831 -5.2794 -5.2689 -5.0210 -5.0144 -4.6139 -4.6049 -1.1399 -1.1346 -1.0921 -1.0849 -0.2879 -0.2759 -0.1021 -0.0991 0.2451 0.2504 0.3717 0.3768 0.6975 0.7062 1.2195 1.2225 1.5593 1.5685 1.7563 1.7581 2.0858 2.0868 2.4351 2.4369 5.7264 5.7351 6.5923 6.6073 8.3548 8.3791 8.9807 9.0144 9.7539 9.7621 10.4740 10.4744 10.5793 10.5993 11.1567 11.1651 k = 0.5000 0.2887 0.1818 ( 4142 PWs) bands (ev): -18.2640 -18.2636 -17.6180 -17.6180 -16.7626 -16.7605 -15.4273 -15.4255 -15.3965 -15.3953 -15.3425 -15.3398 -10.2650 -10.2609 -8.6523 -8.6512 -6.8713 -6.8608 -5.2854 -5.2755 -5.0454 -5.0388 -4.5948 -4.5864 -1.1345 -1.1297 -1.0757 -1.0691 -0.2904 -0.2782 -0.1275 -0.1245 0.2430 0.2480 0.3659 0.3708 0.6636 0.6722 1.2316 1.2346 1.5612 1.5703 1.7563 1.7581 2.1129 2.1139 2.4390 2.4407 5.7424 5.7511 6.6124 6.6272 8.3024 8.3253 9.0019 9.0362 9.7589 9.7669 10.4270 10.4329 10.5515 10.5671 11.1791 11.1870 k = 0.5000 0.2887 0.1666 ( 4142 PWs) bands (ev): -18.2667 -18.2663 -17.6191 -17.6191 -16.7565 -16.7544 -15.4265 -15.4247 -15.3965 -15.3959 -15.3435 -15.3408 -10.2703 -10.2664 -8.6574 -8.6564 -6.8491 -6.8389 -5.2908 -5.2815 -5.0694 -5.0630 -4.5766 -4.5688 -1.1300 -1.1257 -1.0585 -1.0524 -0.2936 -0.2814 -0.1511 -0.1481 0.2412 0.2459 0.3607 0.3654 0.6301 0.6386 1.2444 1.2476 1.5605 1.5694 1.7568 1.7587 2.1389 2.1399 2.4430 2.4446 5.7587 5.7673 6.6316 6.6459 8.2516 8.2731 9.0260 9.0608 9.7628 9.7707 10.3646 10.3759 10.5377 10.5491 11.2042 11.2116 k = 0.5000 0.2887 0.1515 ( 4142 PWs) bands (ev): -18.2692 -18.2688 -17.6201 -17.6201 -16.7506 -16.7486 -15.4262 -15.4243 -15.3962 -15.3960 -15.3444 -15.3418 -10.2753 -10.2716 -8.6623 -8.6613 -6.8274 -6.8175 -5.2957 -5.2870 -5.0928 -5.0866 -4.5596 -4.5524 -1.1260 -1.1223 -1.0410 -1.0353 -0.2981 -0.2862 -0.1716 -0.1689 0.2398 0.2443 0.3562 0.3606 0.5972 0.6056 1.2580 1.2614 1.5573 1.5659 1.7580 1.7599 2.1634 2.1643 2.4471 2.4486 5.7754 5.7837 6.6496 6.6634 8.2030 8.2230 9.0532 9.0884 9.7660 9.7737 10.2956 10.3105 10.5302 10.5389 11.2311 11.2379 k = 0.5000 0.2887 0.1363 ( 4138 PWs) bands (ev): -18.2715 -18.2712 -17.6211 -17.6210 -16.7450 -16.7432 -15.4263 -15.4243 -15.3958 -15.3952 -15.3453 -15.3428 -10.2800 -10.2765 -8.6669 -8.6660 -6.8064 -6.7969 -5.2999 -5.2919 -5.1153 -5.1094 -4.5437 -4.5372 -1.1226 -1.1192 -1.0234 -1.0181 -0.3048 -0.2938 -0.1878 -0.1857 0.2388 0.2432 0.3523 0.3564 0.5651 0.5733 1.2723 1.2759 1.5516 1.5600 1.7598 1.7617 2.1860 2.1869 2.4512 2.4526 5.7920 5.8000 6.6664 6.6795 8.1571 8.1755 9.0834 9.1188 9.7684 9.7761 10.2242 10.2416 10.5253 10.5323 11.2588 11.2650 k = 0.5000 0.2887 0.1212 ( 4138 PWs) bands (ev): -18.2737 -18.2734 -17.6220 -17.6219 -16.7398 -16.7381 -15.4266 -15.4247 -15.3951 -15.3941 -15.3462 -15.3438 -10.2842 -10.2811 -8.6712 -8.6703 -6.7864 -6.7776 -5.3036 -5.2963 -5.1365 -5.1310 -4.5292 -4.5233 -1.1195 -1.1166 -1.0060 -1.0012 -0.3143 -0.3047 -0.1990 -0.1979 0.2384 0.2426 0.3490 0.3528 0.5342 0.5421 1.2872 1.2910 1.5439 1.5519 1.7621 1.7638 2.2066 2.2074 2.4553 2.4565 5.8082 5.8158 6.6818 6.6939 8.1143 8.1311 9.1167 9.1519 9.7701 9.7778 10.1523 10.1714 10.5219 10.5277 11.2866 11.2922 k = 0.5000 0.2887 0.1060 ( 4140 PWs) bands (ev): -18.2757 -18.2754 -17.6228 -17.6227 -16.7351 -16.7335 -15.4272 -15.4253 -15.3941 -15.3929 -15.3471 -15.3448 -10.2881 -10.2852 -8.6750 -8.6742 -6.7677 -6.7597 -5.3067 -5.3001 -5.1562 -5.1511 -4.5161 -4.5109 -1.1169 -1.1144 -0.9893 -0.9849 -0.3266 -0.3186 -0.2055 -0.2049 0.2386 0.2426 0.3464 0.3500 0.5046 0.5123 1.3026 1.3066 1.5343 1.5420 1.7647 1.7663 2.2249 2.2257 2.4593 2.4603 5.8239 5.8308 6.6957 6.7066 8.0752 8.0902 9.1529 9.1877 9.7712 9.7791 10.0813 10.1015 10.5194 10.5243 11.3137 11.3186 k = 0.5000 0.2887 0.0909 ( 4142 PWs) bands (ev): -18.2774 -18.2771 -17.6235 -17.6234 -16.7308 -16.7295 -15.4278 -15.4261 -15.3929 -15.3916 -15.3479 -15.3458 -10.2915 -10.2890 -8.6784 -8.6777 -6.7507 -6.7435 -5.3093 -5.3035 -5.1739 -5.1695 -4.5044 -4.5000 -1.1146 -1.1125 -0.9735 -0.9695 -0.3405 -0.3342 -0.2088 -0.2076 0.2395 0.2432 0.3445 0.3479 0.4768 0.4841 1.3184 1.3225 1.5232 1.5306 1.7674 1.7688 2.2409 2.2416 2.4630 2.4639 5.8385 5.8448 6.7079 6.7176 8.0402 8.0534 9.1916 9.2257 9.7714 9.7799 10.0121 10.0330 10.5176 10.5217 11.3392 11.3436 k = 0.5000 0.2887 0.0757 ( 4144 PWs) bands (ev): -18.2789 -18.2787 -17.6241 -17.6241 -16.7271 -16.7260 -15.4285 -15.4269 -15.3917 -15.3904 -15.3486 -15.3467 -10.2943 -10.2922 -8.6813 -8.6808 -6.7355 -6.7293 -5.3114 -5.3064 -5.1895 -5.1857 -4.4944 -4.4907 -1.1127 -1.1109 -0.9589 -0.9555 -0.3548 -0.3499 -0.2095 -0.2078 0.2409 0.2444 0.3436 0.3467 0.4510 0.4579 1.3343 1.3386 1.5111 1.5180 1.7700 1.7711 2.2544 2.2550 2.4665 2.4672 5.8518 5.8572 6.7184 6.7267 8.0099 8.0212 9.2325 9.2654 9.7704 9.7801 9.9463 9.9672 10.5163 10.5196 11.3626 11.3662 k = 0.5000 0.2887 0.0606 ( 4140 PWs) bands (ev): -18.2801 -18.2799 -17.6246 -17.6246 -16.7240 -16.7231 -15.4290 -15.4277 -15.3905 -15.3893 -15.3492 -15.3476 -10.2967 -10.2950 -8.6838 -8.6833 -6.7226 -6.7174 -5.3129 -5.3088 -5.2027 -5.1995 -4.4860 -4.4830 -1.1111 -1.1097 -0.9461 -0.9433 -0.3682 -0.3644 -0.2086 -0.2068 0.2428 0.2460 0.3439 0.3467 0.4277 0.4339 1.3503 1.3546 1.4982 1.5046 1.7723 1.7732 2.2655 2.2660 2.4695 2.4701 5.8634 5.8679 6.7272 6.7340 7.9846 7.9938 9.2747 9.3056 9.7670 9.7791 9.8862 9.9060 10.5154 10.5181 11.3830 11.3860 k = 0.5000 0.2887 0.0454 ( 4138 PWs) bands (ev): -18.2811 -18.2809 -17.6250 -17.6250 -16.7215 -16.7208 -15.4295 -15.4285 -15.3895 -15.3884 -15.3497 -15.3484 -10.2985 -10.2972 -8.6857 -8.6853 -6.7120 -6.7081 -5.3140 -5.3108 -5.2131 -5.2107 -4.4793 -4.4771 -1.1099 -1.1088 -0.9355 -0.9333 -0.3796 -0.3768 -0.2069 -0.2053 0.2450 0.2477 0.3455 0.3481 0.4070 0.4126 1.3657 1.3700 1.4852 1.4910 1.7742 1.7749 2.2741 2.2745 2.4721 2.4725 5.8730 5.8765 6.7343 6.7394 7.9648 7.9718 9.3168 9.3444 9.7582 9.7744 9.8368 9.8536 10.5149 10.5168 11.3998 11.4021 k = 0.5000 0.2887 0.0303 ( 4138 PWs) bands (ev): -18.2818 -18.2817 -17.6253 -17.6253 -16.7197 -16.7192 -15.4298 -15.4291 -15.3886 -15.3878 -15.3499 -15.3490 -10.2997 -10.2988 -8.6870 -8.6868 -6.7041 -6.7015 -5.3146 -5.3124 -5.2206 -5.2189 -4.4744 -4.4729 -1.1089 -1.1082 -0.9274 -0.9258 -0.3882 -0.3864 -0.2051 -0.2040 0.2472 0.2491 0.3489 0.3515 0.3893 0.3942 1.3800 1.3839 1.4731 1.4779 1.7757 1.7762 2.2802 2.2805 2.4740 2.4743 5.8802 5.8826 6.7396 6.7430 7.9508 7.9555 9.3561 9.3782 9.7399 9.7583 9.8080 9.8190 10.5146 10.5159 11.4124 11.4139 k = 0.5000 0.2887 0.0151 ( 4128 PWs) bands (ev): -18.2822 -18.2821 -17.6255 -17.6254 -16.7186 -16.7183 -15.4299 -15.4295 -15.3879 -15.3876 -15.3500 -15.3495 -10.3004 -10.2999 -8.6878 -8.6877 -6.6990 -6.6977 -5.3147 -5.3136 -5.2250 -5.2241 -4.4713 -4.4706 -1.1083 -1.1079 -0.9222 -0.9214 -0.3934 -0.3925 -0.2038 -0.2032 0.2490 0.2500 0.3545 0.3572 0.3750 0.3790 1.3916 1.3942 1.4639 1.4669 1.7767 1.7769 2.2840 2.2841 2.4752 2.4754 5.8849 5.8861 6.7431 6.7449 7.9428 7.9452 9.3878 9.4007 9.7202 9.7319 9.7997 9.8043 10.5146 10.5152 11.4203 11.4211 k = 0.5000 0.2887-0.0000 ( 4132 PWs) bands (ev): -18.2823 -18.2823 -17.6255 -17.6255 -16.7181 -16.7181 -15.4298 -15.4298 -15.3876 -15.3876 -15.3499 -15.3499 -10.3004 -10.3004 -8.6881 -8.6881 -6.6969 -6.6969 -5.3144 -5.3144 -5.2262 -5.2262 -4.4700 -4.4700 -1.1080 -1.1080 -0.9201 -0.9201 -0.3949 -0.3949 -0.2031 -0.2031 0.2500 0.2500 0.3616 0.3616 0.3682 0.3682 1.3973 1.3973 1.4612 1.4612 1.7771 1.7771 2.2852 2.2852 2.4757 2.4757 5.8869 5.8869 6.7449 6.7449 7.9409 7.9409 9.4046 9.4046 9.7157 9.7157 9.7995 9.7995 10.5148 10.5148 11.4233 11.4233 k = 0.3333 0.5774-0.0000 ( 4182 PWs) bands (ev): -17.9656 -17.9643 -17.9643 -17.9643 -16.7316 -16.7316 -15.4282 -15.4282 -15.3758 -15.3758 -15.3712 -15.3702 -10.3491 -10.3491 -7.7663 -7.7541 -7.7507 -7.7507 -5.1977 -5.1862 -5.1862 -5.1750 -4.3699 -4.3699 -0.9620 -0.9550 -0.9550 -0.9502 -0.4561 -0.4561 -0.0913 -0.0874 -0.0852 -0.0852 -0.0042 -0.0042 0.8040 0.8040 1.2724 1.2776 1.2776 1.2778 2.0815 2.0815 2.0877 2.0918 2.6256 2.6256 6.6568 6.6768 6.6768 6.6844 7.3509 7.3509 9.4274 9.4274 9.5033 9.5033 9.5214 9.5313 11.3345 11.3468 11.3514 11.3514 k = 0.3333 0.5774 0.0151 ( 4188 PWs) bands (ev): -17.9812 -17.9805 -17.9481 -17.9474 -16.7325 -16.7323 -15.4283 -15.4280 -15.3791 -15.3740 -15.3727 -15.3676 -10.3480 -10.3476 -7.7990 -7.7896 -7.7229 -7.7135 -5.2017 -5.1960 -5.1753 -5.1699 -4.3713 -4.3705 -0.9682 -0.9660 -0.9455 -0.9455 -0.4572 -0.4560 -0.0896 -0.0858 -0.0841 -0.0830 -0.0038 -0.0028 0.8050 0.8050 1.2539 1.2565 1.2959 1.2984 2.0798 2.0821 2.0869 2.0915 2.6244 2.6244 6.5952 6.6025 6.7457 6.7506 7.3508 7.3522 9.4081 9.4334 9.4638 9.4682 9.5590 9.5872 11.3264 11.3387 11.3556 11.3647 k = 0.3333 0.5774 0.0303 ( 4194 PWs) bands (ev): -17.9969 -17.9962 -17.9306 -17.9300 -16.7348 -16.7343 -15.4283 -15.4277 -15.3825 -15.3774 -15.3698 -15.3647 -10.3441 -10.3433 -7.8385 -7.8299 -7.6879 -7.6778 -5.2090 -5.2045 -5.1632 -5.1592 -4.3746 -4.3730 -0.9794 -0.9785 -0.9388 -0.9375 -0.4594 -0.4570 -0.0847 -0.0808 -0.0798 -0.0775 -0.0017 0.0003 0.8081 0.8081 1.2326 1.2351 1.3160 1.3186 2.0770 2.0815 2.0846 2.0903 2.6207 2.6207 6.5215 6.5280 6.8180 6.8236 7.3520 7.3548 9.3666 9.4131 9.4363 9.4500 9.6205 9.6501 11.3147 11.3266 11.3691 11.3786 k = 0.3333 0.5774 0.0454 ( 4173 PWs) bands (ev): -18.0120 -18.0112 -17.9126 -17.9120 -16.7385 -16.7378 -15.4281 -15.4273 -15.3860 -15.3810 -15.3671 -15.3620 -10.3375 -10.3363 -7.8797 -7.8718 -7.6542 -7.6436 -5.2163 -5.2117 -5.1501 -5.1462 -4.3799 -4.3774 -0.9925 -0.9923 -0.9330 -0.9309 -0.4626 -0.4591 -0.0766 -0.0727 -0.0725 -0.0688 0.0021 0.0051 0.8132 0.8133 1.2111 1.2134 1.3356 1.3383 2.0732 2.0798 2.0811 2.0882 2.6145 2.6146 6.4476 6.4537 6.8897 6.8954 7.3544 7.3586 9.3185 9.3613 9.4387 9.4465 9.6852 9.7151 11.3035 11.3153 11.3836 11.3930 k = 0.3333 0.5774 0.0606 ( 4167 PWs) bands (ev): -18.0264 -18.0257 -17.8940 -17.8934 -16.7437 -16.7428 -15.4279 -15.4268 -15.3896 -15.3846 -15.3645 -15.3595 -10.3282 -10.3266 -7.9223 -7.9150 -7.6221 -7.6111 -5.2226 -5.2177 -5.1360 -5.1319 -4.3870 -4.3837 -1.0073 -1.0071 -0.9283 -0.9255 -0.4668 -0.4623 -0.0656 -0.0622 -0.0614 -0.0570 0.0077 0.0116 0.8204 0.8204 1.1893 1.1915 1.3547 1.3575 2.0684 2.0765 2.0768 2.0849 2.6060 2.6061 6.3741 6.3798 6.9599 6.9655 7.3579 7.3635 9.2715 9.3129 9.4409 9.4457 9.7520 9.7818 11.2930 11.3048 11.3987 11.4078 k = 0.3333 0.5774 0.0757 ( 4167 PWs) bands (ev): -18.0403 -18.0396 -17.8748 -17.8743 -16.7503 -16.7492 -15.4275 -15.4262 -15.3932 -15.3884 -15.3622 -15.3572 -10.3162 -10.3143 -7.9663 -7.9597 -7.5914 -7.5801 -5.2279 -5.2223 -5.1210 -5.1167 -4.3959 -4.3919 -1.0235 -1.0228 -0.9247 -0.9213 -0.4721 -0.4666 -0.0518 -0.0493 -0.0472 -0.0422 0.0151 0.0198 0.8294 0.8295 1.1674 1.1696 1.3732 1.3761 2.0627 2.0708 2.0725 2.0804 2.5952 2.5953 6.3013 6.3067 7.0281 7.0335 7.3626 7.3695 9.2276 9.2682 9.4431 9.4461 9.8207 9.8501 11.2834 11.2953 11.4145 11.4231 k = 0.3333 0.5774 0.0909 ( 4161 PWs) bands (ev): -18.0536 -18.0529 -17.8551 -17.8546 -16.7583 -16.7569 -15.4271 -15.4254 -15.3970 -15.3922 -15.3600 -15.3552 -10.3016 -10.2993 -8.0117 -8.0058 -7.5623 -7.5507 -5.2318 -5.2256 -5.1053 -5.1006 -4.4066 -4.4018 -1.0406 -1.0395 -0.9219 -0.9180 -0.4783 -0.4720 -0.0356 -0.0340 -0.0302 -0.0247 0.0243 0.0296 0.8403 0.8404 1.1456 1.1476 1.3911 1.3939 2.0560 2.0641 2.0670 2.0746 2.5821 2.5823 6.2296 6.2347 7.0941 7.0990 7.3684 7.3766 9.1875 9.2276 9.4456 9.4471 9.8907 9.9195 11.2749 11.2868 11.4309 11.4387 k = 0.3333 0.5774 0.1060 ( 4170 PWs) bands (ev): -18.0663 -18.0656 -17.8348 -17.8343 -16.7676 -16.7661 -15.4265 -15.4246 -15.4008 -15.3961 -15.3581 -15.3533 -10.2844 -10.2818 -8.0584 -8.0532 -7.5346 -7.5229 -5.2344 -5.2275 -5.0888 -5.0838 -4.4191 -4.4135 -1.0584 -1.0570 -0.9199 -0.9155 -0.4856 -0.4785 -0.0174 -0.0166 -0.0105 -0.0046 0.0351 0.0410 0.8529 0.8530 1.1238 1.1258 1.4083 1.4112 2.0483 2.0564 2.0600 2.0674 2.5669 2.5671 6.1591 6.1639 7.1572 7.1616 7.3751 7.3846 9.1517 9.1914 9.4482 9.4486 9.9616 9.9899 11.2676 11.2795 11.4480 11.4544 k = 0.3333 0.5774 0.1212 ( 4155 PWs) bands (ev): -18.0784 -18.0777 -17.8139 -17.8135 -16.7783 -16.7766 -15.4257 -15.4237 -15.4046 -15.4001 -15.3565 -15.3518 -10.2647 -10.2617 -8.1063 -8.1018 -7.5084 -7.4966 -5.2357 -5.2280 -5.0718 -5.0664 -4.4331 -4.4267 -1.0767 -1.0751 -0.9184 -0.9136 -0.4939 -0.4861 0.0026 0.0027 0.0117 0.0178 0.0477 0.0540 0.8673 0.8674 1.1023 1.1043 1.4247 1.4276 2.0399 2.0478 2.0517 2.0588 2.5496 2.5499 6.0902 6.0947 7.2172 7.2207 7.3828 7.3934 9.1206 9.1598 9.4504 9.4510 10.0333 10.0608 11.2616 11.2737 11.4659 11.4689 k = 0.3333 0.5774 0.1363 ( 4155 PWs) bands (ev): -18.0900 -18.0892 -17.7925 -17.7922 -16.7903 -16.7884 -15.4249 -15.4226 -15.4083 -15.4040 -15.3550 -15.3505 -10.2425 -10.2391 -8.1554 -8.1516 -7.4837 -7.4719 -5.2356 -5.2271 -5.0543 -5.0487 -4.4487 -4.4416 -1.0953 -1.0936 -0.9172 -0.9120 -0.5031 -0.4947 0.0234 0.0240 0.0360 0.0423 0.0618 0.0685 0.8831 0.8832 1.0812 1.0830 1.4405 1.4434 2.0306 2.0384 2.0419 2.0488 2.5305 2.5308 6.0230 6.0272 7.2736 7.2759 7.3913 7.4029 9.0945 9.1330 9.4524 9.4539 10.1053 10.1319 11.2572 11.2693 11.4755 11.4846 k = 0.3333 0.5774 0.1515 ( 4155 PWs) bands (ev): -18.1009 -18.1002 -17.7706 -17.7703 -16.8035 -16.8015 -15.4239 -15.4214 -15.4121 -15.4080 -15.3539 -15.3494 -10.2178 -10.2142 -8.2057 -8.2025 -7.4604 -7.4486 -5.2341 -5.2249 -5.0365 -5.0306 -4.4657 -4.4579 -1.1142 -1.1123 -0.9162 -0.9105 -0.5132 -0.5043 0.0454 0.0466 0.0623 0.0686 0.0774 0.0843 0.9004 0.9006 1.0605 1.0623 1.4555 1.4584 2.0205 2.0282 2.0307 2.0375 2.5096 2.5100 5.9578 5.9617 7.3260 7.3267 7.4006 7.4130 9.0737 9.1113 9.4545 9.4568 10.1772 10.2030 11.2545 11.2666 11.4716 11.4854 k = 0.3333 0.5774 0.1666 ( 4155 PWs) bands (ev): -18.1113 -18.1106 -17.7481 -17.7479 -16.8180 -16.8159 -15.4230 -15.4201 -15.4156 -15.4119 -15.3529 -15.3486 -10.1908 -10.1868 -8.2570 -8.2545 -7.4385 -7.4269 -5.2313 -5.2213 -5.0184 -5.0124 -4.4841 -4.4756 -1.1330 -1.1309 -0.9151 -0.9091 -0.5242 -0.5148 0.0681 0.0701 0.0901 0.0943 0.0962 0.1016 0.9191 0.9193 1.0404 1.0422 1.4697 1.4725 2.0098 2.0172 2.0181 2.0246 2.4871 2.4875 5.8948 5.8984 7.3720 7.3741 7.4115 7.4236 9.0582 9.0948 9.4567 9.4597 10.2487 10.2735 11.2536 11.2657 11.4650 11.4783 k = 0.3333 0.5774 0.1818 ( 4161 PWs) bands (ev): -18.1211 -18.1204 -17.7252 -17.7250 -16.8337 -16.8315 -15.4226 -15.4187 -15.4184 -15.4158 -15.3522 -15.3481 -10.1615 -10.1572 -8.3093 -8.3074 -7.4180 -7.4065 -5.2271 -5.2163 -5.0002 -4.9941 -4.5038 -4.4946 -1.1516 -1.1495 -0.9138 -0.9075 -0.5359 -0.5262 0.0915 0.0942 0.1125 0.1189 0.1193 0.1260 0.9390 0.9393 1.0210 1.0229 1.4831 1.4858 1.9985 2.0040 2.0054 2.0105 2.4631 2.4636 5.8341 5.8374 7.4072 7.4176 7.4280 7.4345 9.0481 9.0834 9.4588 9.4624 10.3194 10.3431 11.2547 11.2669 11.4581 11.4717 k = 0.3333 0.5774 0.1969 ( 4149 PWs) bands (ev): -18.1304 -18.1297 -17.7017 -17.7017 -16.8505 -16.8482 -15.4244 -15.4196 -15.4187 -15.4171 -15.3518 -15.3478 -10.1299 -10.1254 -8.3625 -8.3613 -7.3987 -7.3875 -5.2215 -5.2101 -4.9821 -4.9759 -4.5245 -4.5147 -1.1698 -1.1677 -0.9123 -0.9057 -0.5482 -0.5383 0.1150 0.1187 0.1319 0.1379 0.1496 0.1560 0.9601 0.9604 1.0026 1.0045 1.4955 1.4981 1.9867 1.9885 1.9924 1.9958 2.4378 2.4384 5.7760 5.7789 7.4247 7.4457 7.4565 7.4577 9.0434 9.0773 9.4608 9.4650 10.3888 10.4115 11.2580 11.2702 11.4518 11.4658 k = 0.3333 0.5774 0.2121 ( 4149 PWs) bands (ev): -18.1391 -18.1384 -17.6778 -17.6778 -16.8683 -16.8660 -15.4276 -15.4234 -15.4174 -15.4155 -15.3516 -15.3478 -10.0962 -10.0915 -8.4165 -8.4160 -7.3808 -7.3700 -5.2146 -5.2025 -4.9641 -4.9579 -4.5463 -4.5358 -1.1877 -1.1855 -0.9103 -0.9035 -0.5612 -0.5511 0.1385 0.1432 0.1522 0.1575 0.1805 0.1867 0.9813 0.9826 0.9853 0.9881 1.5070 1.5095 1.9716 1.9745 1.9765 1.9821 2.4113 2.4120 5.7205 5.7232 7.4364 7.4571 7.4883 7.4905 9.0439 9.0763 9.4624 9.4672 10.4565 10.4780 11.2637 11.2759 11.4464 11.4610 k = 0.3333 0.5774 0.2272 ( 4158 PWs) bands (ev): -18.1472 -18.1466 -17.6536 -17.6535 -16.8872 -16.8848 -15.4309 -15.4270 -15.4158 -15.4137 -15.3516 -15.3480 -10.0605 -10.0555 -8.4714 -8.4714 -7.3642 -7.3537 -5.2064 -5.1936 -4.9464 -4.9402 -4.5690 -4.5579 -1.2049 -1.2028 -0.9078 -0.9007 -0.5747 -0.5644 0.1615 0.1676 0.1733 0.1776 0.2118 0.2178 0.9692 0.9708 1.0057 1.0057 1.5174 1.5197 1.9534 1.9583 1.9622 1.9692 2.3839 2.3846 5.6679 5.6703 7.4473 7.4684 7.5150 7.5198 9.0493 9.0799 9.4637 9.4689 10.5221 10.5423 11.2717 11.2840 11.4422 11.4573 k = 0.3333 0.5774 0.2424 ( 4143 PWs) bands (ev): -18.1548 -18.1542 -17.6289 -17.6287 -16.9071 -16.9046 -15.4341 -15.4305 -15.4139 -15.4118 -15.3519 -15.3485 -10.0227 -10.0175 -8.5275 -8.5269 -7.3488 -7.3387 -5.1968 -5.1835 -4.9291 -4.9230 -4.5925 -4.5809 -1.2214 -1.2193 -0.9048 -0.8975 -0.5887 -0.5783 0.1838 0.1917 0.1950 0.1978 0.2432 0.2488 0.9546 0.9564 1.0296 1.0297 1.5265 1.5287 1.9340 1.9388 1.9500 1.9566 2.3557 2.3565 5.6182 5.6204 7.4578 7.4797 7.5373 7.5445 9.0591 9.0879 9.4644 9.4702 10.5850 10.6038 11.2823 11.2946 11.4395 11.4551 k = 0.3333 0.5774 0.2575 ( 4155 PWs) bands (ev): -18.1618 -18.1612 -17.6038 -17.6035 -16.9279 -16.9254 -15.4373 -15.4339 -15.4118 -15.4097 -15.3524 -15.3493 -9.9831 -9.9777 -8.5842 -8.5830 -7.3346 -7.3250 -5.1860 -5.1721 -4.9124 -4.9065 -4.6166 -4.6045 -1.2371 -1.2351 -0.9011 -0.8936 -0.6030 -0.5925 0.2055 0.2151 0.2168 0.2181 0.2742 0.2795 0.9417 0.9435 1.0544 1.0545 1.5342 1.5362 1.9135 1.9182 1.9381 1.9443 2.3269 2.3278 5.5716 5.5735 7.4682 7.4908 7.5554 7.5649 9.0728 9.0998 9.4645 9.4706 10.6447 10.6621 11.2955 11.3079 11.4384 11.4546 k = 0.3333 0.5774 0.2727 ( 4143 PWs) bands (ev): -18.1683 -18.1677 -17.5783 -17.5779 -16.9495 -16.9471 -15.4402 -15.4371 -15.4096 -15.4076 -15.3531 -15.3503 -9.9416 -9.9360 -8.6413 -8.6397 -7.3215 -7.3125 -5.1740 -5.1596 -4.8964 -4.8906 -4.6414 -4.6288 -1.2520 -1.2500 -0.8967 -0.8890 -0.6176 -0.6071 0.2265 0.2377 0.2381 0.2384 0.3044 0.3093 0.9306 0.9325 1.0799 1.0801 1.5403 1.5420 1.8922 1.8966 1.9271 1.9328 2.2976 2.2986 5.5282 5.5299 7.4783 7.5018 7.5697 7.5814 9.0899 9.1149 9.4638 9.4703 10.7009 10.7168 11.3113 11.3238 11.4393 11.4560 k = 0.3333 0.5774 0.2878 ( 4146 PWs) bands (ev): -18.1742 -18.1737 -17.5525 -17.5520 -16.9719 -16.9695 -15.4430 -15.4401 -15.4073 -15.4053 -15.3541 -15.3515 -9.8985 -9.8927 -8.6990 -8.6968 -7.3096 -7.3011 -5.1608 -5.1459 -4.8811 -4.8755 -4.6666 -4.6535 -1.2659 -1.2640 -0.8917 -0.8838 -0.6324 -0.6219 0.2467 0.2577 0.2592 0.2593 0.3334 0.3379 0.9215 0.9235 1.1061 1.1063 1.5443 1.5458 1.8701 1.8743 1.9172 1.9225 2.2681 2.2691 5.4880 5.4895 7.4882 7.5124 7.5804 7.5943 9.1096 9.1328 9.4622 9.4690 10.7530 10.7674 11.3297 11.3422 11.4422 11.4592 k = 0.3333 0.5774 0.3030 ( 4161 PWs) bands (ev): -18.1796 -18.1791 -17.5263 -17.5258 -16.9951 -16.9927 -15.4456 -15.4430 -15.4048 -15.4030 -15.3553 -15.3529 -9.8537 -9.8478 -8.7569 -8.7543 -7.2988 -7.2910 -5.1464 -5.1311 -4.8668 -4.8614 -4.6921 -4.6787 -1.2788 -1.2770 -0.8859 -0.8779 -0.6473 -0.6368 0.2661 0.2766 0.2791 0.2797 0.3608 0.3649 0.9147 0.9168 1.1328 1.1330 1.5460 1.5472 1.8476 1.8515 1.9089 1.9138 2.2384 2.2396 5.4512 5.4524 7.4978 7.5226 7.5881 7.6040 9.1313 9.1529 9.4595 9.4666 10.8008 10.8135 11.3504 11.3631 11.4471 11.4645 k = 0.3333 0.5774 0.3181 ( 4161 PWs) bands (ev): -18.1845 -18.1841 -17.4999 -17.4992 -17.0190 -17.0166 -15.4480 -15.4456 -15.4022 -15.4006 -15.3566 -15.3545 -9.8073 -9.8014 -8.8151 -8.8121 -7.2891 -7.2819 -5.1308 -5.1152 -4.8535 -4.8483 -4.7179 -4.7042 -1.2905 -1.2889 -0.8794 -0.8712 -0.6623 -0.6518 0.2845 0.2945 0.2976 0.2987 0.3861 0.3897 0.9102 0.9123 1.1600 1.1601 1.5451 1.5460 1.8249 1.8287 1.9028 1.9073 2.2089 2.2101 5.4177 5.4188 7.5070 7.5325 7.5932 7.6109 9.1545 9.1744 9.4557 9.4630 10.8439 10.8550 11.3733 11.3862 11.4541 11.4718 k = 0.3333 0.5774 0.3333 ( 4161 PWs) bands (ev): -18.1888 -18.1884 -17.4732 -17.4724 -17.0435 -17.0412 -15.4502 -15.4480 -15.3995 -15.3981 -15.3582 -15.3564 -9.7596 -9.7535 -8.8735 -8.8700 -7.2804 -7.2739 -5.1142 -5.0982 -4.8414 -4.8364 -4.7437 -4.7298 -1.3012 -1.2997 -0.8721 -0.8638 -0.6773 -0.6668 0.3017 0.3114 0.3147 0.3162 0.4090 0.4122 0.9080 0.9102 1.1876 1.1877 1.5412 1.5418 1.8026 1.8060 1.8993 1.9033 2.1797 2.1809 5.3877 5.3886 7.5159 7.5420 7.5961 7.6155 9.1786 9.1970 9.4507 9.4581 10.8822 10.8918 11.3979 11.4111 11.4631 11.4811 k = 0.3333 0.5774 0.3484 ( 4161 PWs) bands (ev): -18.1926 -18.1923 -17.4462 -17.4454 -17.0685 -17.0663 -15.4521 -15.4502 -15.3968 -15.3956 -15.3599 -15.3584 -9.7104 -9.7043 -8.9320 -8.9281 -7.2727 -7.2670 -5.0966 -5.0803 -4.8309 -4.8257 -4.7692 -4.7556 -1.3107 -1.3094 -0.8642 -0.8557 -0.6922 -0.6818 0.3175 0.3269 0.3301 0.3319 0.4292 0.4319 0.9080 0.9102 1.2154 1.2155 1.5341 1.5345 1.7809 1.7841 1.8986 1.9022 2.1508 2.1522 5.3612 5.3619 7.5245 7.5511 7.5971 7.6181 9.2029 9.2201 9.4443 9.4519 10.9156 10.9238 11.4238 11.4372 11.4739 11.4921 k = 0.3333 0.5774 0.3636 ( 4152 PWs) bands (ev): -18.1959 -18.1957 -17.4191 -17.4181 -17.0940 -17.0919 -15.4537 -15.4521 -15.3939 -15.3930 -15.3618 -15.3606 -9.6600 -9.6539 -8.9904 -8.9862 -7.2660 -7.2611 -5.0779 -5.0614 -4.8229 -4.8162 -4.7934 -4.7813 -1.3189 -1.3178 -0.8555 -0.8469 -0.7070 -0.6966 0.3317 0.3408 0.3437 0.3457 0.4465 0.4487 0.9100 0.9121 1.2434 1.2435 1.5238 1.5239 1.7604 1.7633 1.9011 1.9043 2.1227 2.1240 5.3381 5.3388 7.5327 7.5597 7.5966 7.6189 9.2272 9.2432 9.4366 9.4443 10.9443 10.9511 11.4500 11.4639 11.4862 11.5046 k = 0.3333 0.5774 0.3787 ( 4152 PWs) bands (ev): -18.1987 -18.1985 -17.3918 -17.3907 -17.1200 -17.1179 -15.4551 -15.4538 -15.3910 -15.3904 -15.3637 -15.3629 -9.6085 -9.6023 -9.0488 -9.0443 -7.2604 -7.2562 -5.0583 -5.0416 -4.8278 -4.8082 -4.8070 -4.8059 -1.3260 -1.3250 -0.8461 -0.8374 -0.7216 -0.7113 0.3441 0.3530 0.3554 0.3576 0.4608 0.4625 0.9134 0.9154 1.2714 1.2715 1.5103 1.5104 1.7417 1.7442 1.9067 1.9096 2.0953 2.0967 5.3186 5.3191 7.5404 7.5678 7.5949 7.6184 9.2510 9.2661 9.4275 9.4352 10.9682 10.9737 11.4756 11.4900 11.4994 11.5180 k = 0.3333 0.5774 0.3939 ( 4158 PWs) bands (ev): -18.2010 -18.2008 -17.3644 -17.3632 -17.1464 -17.1444 -15.4563 -15.4552 -15.3881 -15.3878 -15.3658 -15.3654 -9.5559 -9.5497 -9.1070 -9.1022 -7.2557 -7.2523 -5.0379 -5.0210 -4.8503 -4.8325 -4.8021 -4.8015 -1.3317 -1.3309 -0.8361 -0.8273 -0.7359 -0.7257 0.3545 0.3634 0.3650 0.3673 0.4721 0.4735 0.9177 0.9194 1.2992 1.2995 1.4939 1.4940 1.7253 1.7274 1.9153 1.9180 2.0689 2.0704 5.3026 5.3030 7.5478 7.5754 7.5922 7.6167 9.2740 9.2883 9.4170 9.4246 10.9876 10.9918 11.4993 11.5129 11.5143 11.5316 k = 0.3333 0.5774 0.4090 ( 4164 PWs) bands (ev): -18.2028 -18.2026 -17.3369 -17.3356 -17.1730 -17.1711 -15.4571 -15.4563 -15.3853 -15.3852 -15.3680 -15.3680 -9.5023 -9.4962 -9.1649 -9.1599 -7.2519 -7.2494 -5.0166 -4.9996 -4.8750 -4.8577 -4.7972 -4.7964 -1.3362 -1.3356 -0.8254 -0.8166 -0.7500 -0.7397 0.3629 0.3717 0.3725 0.3748 0.4807 0.4817 0.9222 0.9236 1.3268 1.3272 1.4749 1.4751 1.7118 1.7134 1.9268 1.9293 2.0437 2.0452 5.2902 5.2905 7.5548 7.5826 7.5886 7.6139 9.2958 9.3098 9.4051 9.4125 11.0025 11.0056 11.5196 11.5257 11.5352 11.5445 k = 0.3333 0.5774 0.4242 ( 4164 PWs) bands (ev): -18.2040 -18.2039 -17.3094 -17.3080 -17.2000 -17.1982 -15.4577 -15.4572 -15.3830 -15.3822 -15.3707 -15.3700 -9.4478 -9.4418 -9.2225 -9.2173 -7.2491 -7.2474 -4.9945 -4.9774 -4.8998 -4.8826 -4.7934 -4.7927 -1.3394 -1.3390 -0.8141 -0.8054 -0.7637 -0.7534 0.3690 0.3778 0.3779 0.3801 0.4867 0.4873 0.9261 0.9271 1.3538 1.3544 1.4539 1.4540 1.7018 1.7029 1.9410 1.9433 2.0198 2.0213 5.2813 5.2815 7.5614 7.5845 7.5893 7.6103 9.3160 9.3302 9.3920 9.3989 11.0132 11.0153 11.5350 11.5367 11.5512 11.5556 k = 0.3333 0.5774 0.4393 ( 4146 PWs) bands (ev): -18.2047 -18.2047 -17.2819 -17.2804 -17.2271 -17.2254 -15.4580 -15.4578 -15.3810 -15.3793 -15.3735 -15.3718 -9.3926 -9.3866 -9.2795 -9.2742 -7.2473 -7.2464 -4.9717 -4.9546 -4.9242 -4.9071 -4.7909 -4.7906 -1.3412 -1.3410 -0.8023 -0.7939 -0.7770 -0.7663 0.3728 0.3810 0.3819 0.3830 0.4903 0.4906 0.9288 0.9294 1.3800 1.3810 1.4311 1.4312 1.6958 1.6963 1.9573 1.9598 1.9977 1.9990 5.2761 5.2761 7.5674 7.5799 7.5954 7.6060 9.3337 9.3494 9.3788 9.3839 11.0198 11.0208 11.5444 11.5444 11.5611 11.5633 k = 0.3333 0.5774 0.4544 ( 4146 PWs) bands (ev): -18.2050 -18.2050 -17.2558 -17.2532 -17.2529 -17.2529 -15.4580 -15.4580 -15.3802 -15.3763 -15.3763 -15.3726 -9.3415 -9.3312 -9.3307 -9.3307 -7.2464 -7.2464 -4.9482 -4.9482 -4.9321 -4.9301 -4.7900 -4.7900 -1.3418 -1.3418 -0.7899 -0.7899 -0.7857 -0.7750 0.3740 0.3821 0.3836 0.3836 0.4916 0.4916 0.9300 0.9300 1.4009 1.4066 1.4066 1.4115 1.6939 1.6939 1.9723 1.9784 1.9784 1.9808 5.2743 5.2743 7.5711 7.5767 7.6010 7.6010 9.3429 9.3673 9.3673 9.3710 11.0223 11.0223 11.5474 11.5474 11.5645 11.5660 Writing output data file SO2.save init_run : 0.86s CPU 0.52s WALL ( 1 calls) electrons : 452.04s CPU 335.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 452.03s CPU 335.12s 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 0.01s WALL ( 1 calls) newd : 0.24s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.25s CPU 0.43s WALL ( 303 calls) cegterg : 411.57s CPU 311.74s WALL ( 679 calls) Called by sum_band: Called by *egterg: h_psi : 267.54s CPU 174.64s WALL ( 10315 calls) s_psi : 14.52s CPU 10.70s WALL ( 10315 calls) g_psi : 0.48s CPU 0.38s WALL ( 9333 calls) cdiaghg : 123.82s CPU 111.29s WALL ( 9636 calls) cegterg:over : 15.12s CPU 12.39s WALL ( 9333 calls) cegterg:upda : 12.25s CPU 10.63s WALL ( 9333 calls) cegterg:last : 5.39s CPU 4.99s WALL ( 1588 calls) cdiaghg:chol : 6.76s CPU 6.34s WALL ( 9636 calls) cdiaghg:inve : 4.95s CPU 4.36s WALL ( 9636 calls) cdiaghg:para : 7.58s CPU 7.18s WALL ( 19272 calls) Called by h_psi: h_psi:vloc : 233.06s CPU 148.35s WALL ( 10315 calls) h_psi:vnl : 33.94s CPU 25.88s WALL ( 10315 calls) add_vuspsi : 18.83s CPU 13.89s WALL ( 10315 calls) General routines calbec : 15.05s CPU 11.95s WALL ( 10315 calls) fft : 0.07s CPU 0.04s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 221.55s CPU 139.40s WALL ( 1251512 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.44s CPU 0.97s WALL ( 606 calls) Parallel routines fft_scatter : 70.32s CPU 53.29s WALL ( 1251535 calls) PWSCF : 7m50.77s CPU 6m 5.55s WALL This run was terminated on: 4:48:10 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=