Program PWSCF v.5.1.1 starts on 28Jul2015 at 0:40:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 35 9 2348 1027 157 Max 61 36 10 2352 1045 166 Sum 1921 1123 313 75227 33183 5221 bravais-lattice index = 14 lattice parameter (alat) = 9.2869 a.u. unit-cell volume = 763.1119 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 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)= 9.286945 celldm(2)= 1.000000 celldm(3)= 1.100117 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 1.100117 ) 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 0.908994 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 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 ) ( 0.3667057 ) 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 ) ( -0.3667057 ) 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 ) ( 0.3667057 ) 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 ) ( -0.3667057 ) 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: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 -E -1 -2C3 -3 -4 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 0.0151499), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.0302998), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.0454497), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.0605996), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.0757495), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.0908994), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.1060493), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.1211992), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.1363491), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.1514990), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.1666489), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.1817988), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.1969487), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.2120986), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.2272485), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.2423984), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.2575483), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.2726982), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.2878481), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.3029980), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.3181479), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.3332978), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.3484477), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.3635976), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.3787475), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.3938974), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.4090473), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.4241972), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.4393471), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.4544970), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.4544970), wk = 0.0033003 k( 138) = ( 0.0135135 0.0078020 0.4544970), wk = 0.0033003 k( 139) = ( 0.0270270 0.0156041 0.4544970), wk = 0.0033003 k( 140) = ( 0.0405405 0.0234061 0.4544970), wk = 0.0033003 k( 141) = ( 0.0540540 0.0312081 0.4544970), wk = 0.0033003 k( 142) = ( 0.0675676 0.0390102 0.4544970), wk = 0.0033003 k( 143) = ( 0.0810811 0.0468122 0.4544970), wk = 0.0033003 k( 144) = ( 0.0945946 0.0546142 0.4544970), wk = 0.0033003 k( 145) = ( 0.1081081 0.0624162 0.4544970), wk = 0.0033003 k( 146) = ( 0.1216216 0.0702183 0.4544970), wk = 0.0033003 k( 147) = ( 0.1351351 0.0780203 0.4544970), wk = 0.0033003 k( 148) = ( 0.1486486 0.0858223 0.4544970), wk = 0.0033003 k( 149) = ( 0.1621622 0.0936244 0.4544970), wk = 0.0033003 k( 150) = ( 0.1756757 0.1014264 0.4544970), wk = 0.0033003 k( 151) = ( 0.1891892 0.1092284 0.4544970), wk = 0.0033003 k( 152) = ( 0.2027027 0.1170305 0.4544970), wk = 0.0033003 k( 153) = ( 0.2162162 0.1248325 0.4544970), wk = 0.0033003 k( 154) = ( 0.2297297 0.1326345 0.4544970), wk = 0.0033003 k( 155) = ( 0.2432432 0.1404366 0.4544970), wk = 0.0033003 k( 156) = ( 0.2567568 0.1482386 0.4544970), wk = 0.0033003 k( 157) = ( 0.2702703 0.1560406 0.4544970), wk = 0.0033003 k( 158) = ( 0.2837838 0.1638426 0.4544970), wk = 0.0033003 k( 159) = ( 0.2972973 0.1716447 0.4544970), wk = 0.0033003 k( 160) = ( 0.3108108 0.1794467 0.4544970), wk = 0.0033003 k( 161) = ( 0.3243243 0.1872487 0.4544970), wk = 0.0033003 k( 162) = ( 0.3378378 0.1950508 0.4544970), wk = 0.0033003 k( 163) = ( 0.3513514 0.2028528 0.4544970), wk = 0.0033003 k( 164) = ( 0.3648649 0.2106548 0.4544970), wk = 0.0033003 k( 165) = ( 0.3783784 0.2184569 0.4544970), wk = 0.0033003 k( 166) = ( 0.3918919 0.2262589 0.4544970), wk = 0.0033003 k( 167) = ( 0.4054054 0.2340609 0.4544970), wk = 0.0033003 k( 168) = ( 0.4189189 0.2418630 0.4544970), wk = 0.0033003 k( 169) = ( 0.4324324 0.2496650 0.4544970), wk = 0.0033003 k( 170) = ( 0.4459459 0.2574670 0.4544970), wk = 0.0033003 k( 171) = ( 0.4594595 0.2652690 0.4544970), wk = 0.0033003 k( 172) = ( 0.4729730 0.2730711 0.4544970), wk = 0.0033003 k( 173) = ( 0.4864865 0.2808731 0.4544970), wk = 0.0033003 k( 174) = ( 0.5000000 0.2886751 0.4544970), wk = 0.0033003 k( 175) = ( 0.5000000 0.2886751 0.4544970), wk = 0.0033003 k( 176) = ( 0.4924242 0.3017967 0.4544970), wk = 0.0033003 k( 177) = ( 0.4848485 0.3149183 0.4544970), wk = 0.0033003 k( 178) = ( 0.4772727 0.3280399 0.4544970), wk = 0.0033003 k( 179) = ( 0.4696970 0.3411615 0.4544970), wk = 0.0033003 k( 180) = ( 0.4621212 0.3542831 0.4544970), wk = 0.0033003 k( 181) = ( 0.4545455 0.3674047 0.4544970), wk = 0.0033003 k( 182) = ( 0.4469697 0.3805263 0.4544970), wk = 0.0033003 k( 183) = ( 0.4393939 0.3936479 0.4544970), wk = 0.0033003 k( 184) = ( 0.4318182 0.4067695 0.4544970), wk = 0.0033003 k( 185) = ( 0.4242424 0.4198911 0.4544970), wk = 0.0033003 k( 186) = ( 0.4166667 0.4330127 0.4544970), wk = 0.0033003 k( 187) = ( 0.4090909 0.4461343 0.4544970), wk = 0.0033003 k( 188) = ( 0.4015151 0.4592559 0.4544970), wk = 0.0033003 k( 189) = ( 0.3939394 0.4723775 0.4544970), wk = 0.0033003 k( 190) = ( 0.3863636 0.4854991 0.4544970), wk = 0.0033003 k( 191) = ( 0.3787879 0.4986207 0.4544970), wk = 0.0033003 k( 192) = ( 0.3712121 0.5117423 0.4544970), wk = 0.0033003 k( 193) = ( 0.3636364 0.5248639 0.4544970), wk = 0.0033003 k( 194) = ( 0.3560606 0.5379855 0.4544970), wk = 0.0033003 k( 195) = ( 0.3484849 0.5511071 0.4544970), wk = 0.0033003 k( 196) = ( 0.3409091 0.5642287 0.4544970), wk = 0.0033003 k( 197) = ( 0.3333333 0.5773503 0.4544970), wk = 0.0033003 k( 198) = ( 0.3333333 0.5773503 0.4544970), wk = 0.0033003 k( 199) = ( 0.3255814 0.5639235 0.4544970), wk = 0.0033003 k( 200) = ( 0.3178295 0.5504968 0.4544970), wk = 0.0033003 k( 201) = ( 0.3100775 0.5370700 0.4544970), wk = 0.0033003 k( 202) = ( 0.3023256 0.5236433 0.4544970), wk = 0.0033003 k( 203) = ( 0.2945736 0.5102165 0.4544970), wk = 0.0033003 k( 204) = ( 0.2868217 0.4967898 0.4544970), wk = 0.0033003 k( 205) = ( 0.2790698 0.4833630 0.4544970), wk = 0.0033003 k( 206) = ( 0.2713178 0.4699363 0.4544970), wk = 0.0033003 k( 207) = ( 0.2635659 0.4565095 0.4544970), wk = 0.0033003 k( 208) = ( 0.2558140 0.4430828 0.4544970), wk = 0.0033003 k( 209) = ( 0.2480620 0.4296560 0.4544970), wk = 0.0033003 k( 210) = ( 0.2403101 0.4162293 0.4544970), wk = 0.0033003 k( 211) = ( 0.2325581 0.4028025 0.4544970), wk = 0.0033003 k( 212) = ( 0.2248062 0.3893758 0.4544970), wk = 0.0033003 k( 213) = ( 0.2170543 0.3759490 0.4544970), wk = 0.0033003 k( 214) = ( 0.2093023 0.3625223 0.4544970), wk = 0.0033003 k( 215) = ( 0.2015504 0.3490955 0.4544970), wk = 0.0033003 k( 216) = ( 0.1937985 0.3356688 0.4544970), wk = 0.0033003 k( 217) = ( 0.1860465 0.3222420 0.4544970), wk = 0.0033003 k( 218) = ( 0.1782946 0.3088153 0.4544970), wk = 0.0033003 k( 219) = ( 0.1705426 0.2953885 0.4544970), wk = 0.0033003 k( 220) = ( 0.1627907 0.2819618 0.4544970), wk = 0.0033003 k( 221) = ( 0.1550388 0.2685350 0.4544970), wk = 0.0033003 k( 222) = ( 0.1472868 0.2551083 0.4544970), wk = 0.0033003 k( 223) = ( 0.1395349 0.2416815 0.4544970), wk = 0.0033003 k( 224) = ( 0.1317830 0.2282548 0.4544970), wk = 0.0033003 k( 225) = ( 0.1240310 0.2148280 0.4544970), wk = 0.0033003 k( 226) = ( 0.1162791 0.2014013 0.4544970), wk = 0.0033003 k( 227) = ( 0.1085271 0.1879745 0.4544970), wk = 0.0033003 k( 228) = ( 0.1007752 0.1745477 0.4544970), wk = 0.0033003 k( 229) = ( 0.0930233 0.1611210 0.4544970), wk = 0.0033003 k( 230) = ( 0.0852713 0.1476943 0.4544970), wk = 0.0033003 k( 231) = ( 0.0775194 0.1342675 0.4544970), wk = 0.0033003 k( 232) = ( 0.0697674 0.1208408 0.4544970), wk = 0.0033003 k( 233) = ( 0.0620155 0.1074140 0.4544970), wk = 0.0033003 k( 234) = ( 0.0542636 0.0939873 0.4544970), wk = 0.0033003 k( 235) = ( 0.0465116 0.0805605 0.4544970), wk = 0.0033003 k( 236) = ( 0.0387597 0.0671338 0.4544970), wk = 0.0033003 k( 237) = ( 0.0310078 0.0537070 0.4544970), wk = 0.0033003 k( 238) = ( 0.0232558 0.0402802 0.4544970), wk = 0.0033003 k( 239) = ( 0.0155039 0.0268535 0.4544970), wk = 0.0033003 k( 240) = ( 0.0077519 0.0134268 0.4544970), wk = 0.0033003 k( 241) = ( 0.0000000 0.0000000 0.4544970), wk = 0.0033003 k( 242) = ( 0.5000000 0.2886751 0.4544970), wk = 0.0033003 k( 243) = ( 0.5000000 0.2886751 0.4393471), wk = 0.0033003 k( 244) = ( 0.5000000 0.2886751 0.4241972), wk = 0.0033003 k( 245) = ( 0.5000000 0.2886751 0.4090473), wk = 0.0033003 k( 246) = ( 0.5000000 0.2886751 0.3938974), wk = 0.0033003 k( 247) = ( 0.5000000 0.2886751 0.3787475), wk = 0.0033003 k( 248) = ( 0.5000000 0.2886751 0.3635976), wk = 0.0033003 k( 249) = ( 0.5000000 0.2886751 0.3484477), wk = 0.0033003 k( 250) = ( 0.5000000 0.2886751 0.3332978), wk = 0.0033003 k( 251) = ( 0.5000000 0.2886751 0.3181479), wk = 0.0033003 k( 252) = ( 0.5000000 0.2886751 0.3029980), wk = 0.0033003 k( 253) = ( 0.5000000 0.2886751 0.2878481), wk = 0.0033003 k( 254) = ( 0.5000000 0.2886751 0.2726982), wk = 0.0033003 k( 255) = ( 0.5000000 0.2886751 0.2575483), wk = 0.0033003 k( 256) = ( 0.5000000 0.2886751 0.2423984), wk = 0.0033003 k( 257) = ( 0.5000000 0.2886751 0.2272485), wk = 0.0033003 k( 258) = ( 0.5000000 0.2886751 0.2120986), wk = 0.0033003 k( 259) = ( 0.5000000 0.2886751 0.1969487), wk = 0.0033003 k( 260) = ( 0.5000000 0.2886751 0.1817988), wk = 0.0033003 k( 261) = ( 0.5000000 0.2886751 0.1666489), wk = 0.0033003 k( 262) = ( 0.5000000 0.2886751 0.1514990), wk = 0.0033003 k( 263) = ( 0.5000000 0.2886751 0.1363491), wk = 0.0033003 k( 264) = ( 0.5000000 0.2886751 0.1211992), wk = 0.0033003 k( 265) = ( 0.5000000 0.2886751 0.1060493), wk = 0.0033003 k( 266) = ( 0.5000000 0.2886751 0.0908994), wk = 0.0033003 k( 267) = ( 0.5000000 0.2886751 0.0757495), wk = 0.0033003 k( 268) = ( 0.5000000 0.2886751 0.0605996), wk = 0.0033003 k( 269) = ( 0.5000000 0.2886751 0.0454497), wk = 0.0033003 k( 270) = ( 0.5000000 0.2886751 0.0302998), wk = 0.0033003 k( 271) = ( 0.5000000 0.2886751 0.0151499), 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 0.0151499), wk = 0.0033003 k( 275) = ( 0.3333333 0.5773503 0.0302998), wk = 0.0033003 k( 276) = ( 0.3333333 0.5773503 0.0454497), wk = 0.0033003 k( 277) = ( 0.3333333 0.5773503 0.0605996), wk = 0.0033003 k( 278) = ( 0.3333333 0.5773503 0.0757495), wk = 0.0033003 k( 279) = ( 0.3333333 0.5773503 0.0908994), wk = 0.0033003 k( 280) = ( 0.3333333 0.5773503 0.1060493), wk = 0.0033003 k( 281) = ( 0.3333333 0.5773503 0.1211992), wk = 0.0033003 k( 282) = ( 0.3333333 0.5773503 0.1363491), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 0.1514990), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.1666489), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.1817988), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.1969487), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.2120986), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.2272485), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.2423984), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.2575483), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.2726982), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.2878481), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.3029980), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.3181479), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.3332978), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.3484477), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.3635976), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.3787475), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.3938974), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.4090473), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.4241972), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.4393471), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.4544970), 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 0.1515151 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 0.0310077 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 0.1515151 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 0.0310077 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: 75227 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 ( 264, 58) NL pseudopotentials 0.25 Mb ( 132, 126) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2352) G-vector shells 0.01 Mb ( 1083) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.93 Mb ( 264, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 Mb ( 126, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.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 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 9.8 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 secs Computing kpt #: 7 total cpu time spent up to now is 12.5 secs Computing kpt #: 8 total cpu time spent up to now is 13.9 secs Computing kpt #: 9 total cpu time spent up to now is 15.4 secs Computing kpt #: 10 total cpu time spent up to now is 16.7 secs Computing kpt #: 11 total cpu time spent up to now is 18.2 secs Computing kpt #: 12 total cpu time spent up to now is 19.6 secs Computing kpt #: 13 total cpu time spent up to now is 21.0 secs Computing kpt #: 14 total cpu time spent up to now is 22.9 secs Computing kpt #: 15 total cpu time spent up to now is 24.4 secs Computing kpt #: 16 total cpu time spent up to now is 25.9 secs Computing kpt #: 17 total cpu time spent up to now is 27.3 secs Computing kpt #: 18 total cpu time spent up to now is 28.9 secs Computing kpt #: 19 total cpu time spent up to now is 30.5 secs Computing kpt #: 20 total cpu time spent up to now is 32.0 secs Computing kpt #: 21 total cpu time spent up to now is 33.5 secs Computing kpt #: 22 total cpu time spent up to now is 35.1 secs Computing kpt #: 23 total cpu time spent up to now is 36.9 secs Computing kpt #: 24 total cpu time spent up to now is 38.6 secs Computing kpt #: 25 total cpu time spent up to now is 40.6 secs Computing kpt #: 26 total cpu time spent up to now is 42.6 secs Computing kpt #: 27 total cpu time spent up to now is 45.2 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.0 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.8 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.6 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.4 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.1 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 62.0 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 64.9 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.7 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.6 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.4 secs Computing kpt #: 38 total cpu time spent up to now is 75.3 secs Computing kpt #: 39 total cpu time spent up to now is 77.0 secs Computing kpt #: 40 total cpu time spent up to now is 78.8 secs Computing kpt #: 41 total cpu time spent up to now is 81.3 secs Computing kpt #: 42 total cpu time spent up to now is 83.6 secs Computing kpt #: 43 total cpu time spent up to now is 86.0 secs Computing kpt #: 44 total cpu time spent up to now is 88.3 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.1 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.0 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.8 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.6 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.4 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.3 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.1 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.9 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.8 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.6 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.4 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.3 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.1 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.0 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.9 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 133.9 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.9 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 139.9 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 142.9 secs Computing kpt #: 64 total cpu time spent up to now is 145.3 secs Computing kpt #: 65 total cpu time spent up to now is 147.3 secs Computing kpt #: 66 total cpu time spent up to now is 149.4 secs Computing kpt #: 67 total cpu time spent up to now is 151.2 secs Computing kpt #: 68 total cpu time spent up to now is 153.0 secs Computing kpt #: 69 total cpu time spent up to now is 154.7 secs Computing kpt #: 70 total cpu time spent up to now is 156.5 secs Computing kpt #: 71 total cpu time spent up to now is 158.2 secs Computing kpt #: 72 total cpu time spent up to now is 160.0 secs Computing kpt #: 73 total cpu time spent up to now is 161.8 secs Computing kpt #: 74 total cpu time spent up to now is 163.7 secs Computing kpt #: 75 total cpu time spent up to now is 165.5 secs Computing kpt #: 76 total cpu time spent up to now is 167.3 secs Computing kpt #: 77 total cpu time spent up to now is 169.2 secs Computing kpt #: 78 total cpu time spent up to now is 171.0 secs Computing kpt #: 79 total cpu time spent up to now is 172.7 secs Computing kpt #: 80 total cpu time spent up to now is 174.4 secs Computing kpt #: 81 total cpu time spent up to now is 176.1 secs Computing kpt #: 82 total cpu time spent up to now is 177.6 secs Computing kpt #: 83 total cpu time spent up to now is 179.2 secs Computing kpt #: 84 total cpu time spent up to now is 180.7 secs Computing kpt #: 85 total cpu time spent up to now is 183.3 secs Computing kpt #: 86 total cpu time spent up to now is 187.1 secs Computing kpt #: 87 total cpu time spent up to now is 190.2 secs Computing kpt #: 88 total cpu time spent up to now is 191.8 secs Computing kpt #: 89 total cpu time spent up to now is 193.3 secs Computing kpt #: 90 total cpu time spent up to now is 194.8 secs Computing kpt #: 91 total cpu time spent up to now is 196.2 secs Computing kpt #: 92 total cpu time spent up to now is 197.7 secs Computing kpt #: 93 total cpu time spent up to now is 199.1 secs Computing kpt #: 94 total cpu time spent up to now is 200.6 secs Computing kpt #: 95 total cpu time spent up to now is 202.0 secs Computing kpt #: 96 total cpu time spent up to now is 203.4 secs Computing kpt #: 97 total cpu time spent up to now is 204.8 secs Computing kpt #: 98 total cpu time spent up to now is 206.2 secs Computing kpt #: 99 total cpu time spent up to now is 207.5 secs Computing kpt #: 100 total cpu time spent up to now is 208.9 secs Computing kpt #: 101 total cpu time spent up to now is 210.3 secs Computing kpt #: 102 total cpu time spent up to now is 211.6 secs Computing kpt #: 103 total cpu time spent up to now is 213.0 secs Computing kpt #: 104 total cpu time spent up to now is 214.3 secs Computing kpt #: 105 total cpu time spent up to now is 215.7 secs Computing kpt #: 106 total cpu time spent up to now is 217.0 secs Computing kpt #: 107 total cpu time spent up to now is 218.3 secs Computing kpt #: 108 total cpu time spent up to now is 219.7 secs Computing kpt #: 109 total cpu time spent up to now is 221.1 secs Computing kpt #: 110 total cpu time spent up to now is 222.5 secs Computing kpt #: 111 total cpu time spent up to now is 223.9 secs Computing kpt #: 112 total cpu time spent up to now is 225.3 secs Computing kpt #: 113 total cpu time spent up to now is 226.7 secs Computing kpt #: 114 total cpu time spent up to now is 228.1 secs Computing kpt #: 115 total cpu time spent up to now is 229.5 secs Computing kpt #: 116 total cpu time spent up to now is 231.0 secs Computing kpt #: 117 total cpu time spent up to now is 232.4 secs Computing kpt #: 118 total cpu time spent up to now is 233.9 secs Computing kpt #: 119 total cpu time spent up to now is 235.4 secs Computing kpt #: 120 total cpu time spent up to now is 236.9 secs Computing kpt #: 121 total cpu time spent up to now is 238.5 secs Computing kpt #: 122 total cpu time spent up to now is 240.2 secs Computing kpt #: 123 total cpu time spent up to now is 242.0 secs Computing kpt #: 124 total cpu time spent up to now is 244.3 secs Computing kpt #: 125 total cpu time spent up to now is 246.9 secs Computing kpt #: 126 total cpu time spent up to now is 249.1 secs Computing kpt #: 127 total cpu time spent up to now is 250.9 secs Computing kpt #: 128 total cpu time spent up to now is 252.6 secs Computing kpt #: 129 total cpu time spent up to now is 254.2 secs Computing kpt #: 130 total cpu time spent up to now is 255.8 secs Computing kpt #: 131 total cpu time spent up to now is 257.4 secs Computing kpt #: 132 total cpu time spent up to now is 258.9 secs Computing kpt #: 133 total cpu time spent up to now is 260.3 secs Computing kpt #: 134 total cpu time spent up to now is 261.8 secs Computing kpt #: 135 total cpu time spent up to now is 263.2 secs Computing kpt #: 136 total cpu time spent up to now is 264.5 secs Computing kpt #: 137 total cpu time spent up to now is 265.9 secs Computing kpt #: 138 total cpu time spent up to now is 267.4 secs Computing kpt #: 139 total cpu time spent up to now is 268.8 secs Computing kpt #: 140 total cpu time spent up to now is 270.3 secs Computing kpt #: 141 total cpu time spent up to now is 271.8 secs Computing kpt #: 142 total cpu time spent up to now is 273.2 secs Computing kpt #: 143 total cpu time spent up to now is 274.7 secs Computing kpt #: 144 total cpu time spent up to now is 276.2 secs Computing kpt #: 145 total cpu time spent up to now is 277.7 secs Computing kpt #: 146 total cpu time spent up to now is 279.2 secs Computing kpt #: 147 total cpu time spent up to now is 280.7 secs Computing kpt #: 148 total cpu time spent up to now is 282.2 secs Computing kpt #: 149 total cpu time spent up to now is 283.8 secs Computing kpt #: 150 total cpu time spent up to now is 285.3 secs Computing kpt #: 151 total cpu time spent up to now is 286.8 secs Computing kpt #: 152 total cpu time spent up to now is 288.4 secs Computing kpt #: 153 total cpu time spent up to now is 289.9 secs Computing kpt #: 154 total cpu time spent up to now is 291.5 secs Computing kpt #: 155 total cpu time spent up to now is 293.0 secs Computing kpt #: 156 total cpu time spent up to now is 294.7 secs Computing kpt #: 157 total cpu time spent up to now is 296.4 secs Computing kpt #: 158 total cpu time spent up to now is 298.1 secs Computing kpt #: 159 total cpu time spent up to now is 299.9 secs Computing kpt #: 160 total cpu time spent up to now is 301.7 secs Computing kpt #: 161 total cpu time spent up to now is 303.5 secs Computing kpt #: 162 total cpu time spent up to now is 305.6 secs Computing kpt #: 163 total cpu time spent up to now is 307.8 secs Computing kpt #: 164 total cpu time spent up to now is 309.9 secs Computing kpt #: 165 total cpu time spent up to now is 312.0 secs Computing kpt #: 166 total cpu time spent up to now is 314.0 secs Computing kpt #: 167 total cpu time spent up to now is 316.0 secs Computing kpt #: 168 total cpu time spent up to now is 318.0 secs Computing kpt #: 169 total cpu time spent up to now is 320.0 secs Computing kpt #: 170 total cpu time spent up to now is 322.0 secs Computing kpt #: 171 total cpu time spent up to now is 323.9 secs Computing kpt #: 172 total cpu time spent up to now is 326.0 secs Computing kpt #: 173 total cpu time spent up to now is 327.9 secs Computing kpt #: 174 total cpu time spent up to now is 329.8 secs Computing kpt #: 175 total cpu time spent up to now is 331.7 secs Computing kpt #: 176 total cpu time spent up to now is 333.7 secs Computing kpt #: 177 total cpu time spent up to now is 335.7 secs Computing kpt #: 178 total cpu time spent up to now is 337.6 secs Computing kpt #: 179 total cpu time spent up to now is 339.5 secs Computing kpt #: 180 total cpu time spent up to now is 341.5 secs Computing kpt #: 181 total cpu time spent up to now is 343.4 secs Computing kpt #: 182 total cpu time spent up to now is 345.3 secs Computing kpt #: 183 total cpu time spent up to now is 347.3 secs Computing kpt #: 184 total cpu time spent up to now is 349.3 secs Computing kpt #: 185 total cpu time spent up to now is 351.1 secs Computing kpt #: 186 total cpu time spent up to now is 353.1 secs Computing kpt #: 187 total cpu time spent up to now is 355.0 secs Computing kpt #: 188 total cpu time spent up to now is 357.0 secs Computing kpt #: 189 total cpu time spent up to now is 359.0 secs Computing kpt #: 190 total cpu time spent up to now is 360.9 secs Computing kpt #: 191 total cpu time spent up to now is 362.9 secs Computing kpt #: 192 total cpu time spent up to now is 365.0 secs Computing kpt #: 193 total cpu time spent up to now is 367.1 secs Computing kpt #: 194 total cpu time spent up to now is 369.2 secs Computing kpt #: 195 total cpu time spent up to now is 371.4 secs Computing kpt #: 196 total cpu time spent up to now is 373.4 secs Computing kpt #: 197 total cpu time spent up to now is 375.5 secs Computing kpt #: 198 total cpu time spent up to now is 377.6 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.5 secs Computing kpt #: 200 total cpu time spent up to now is 382.6 secs Computing kpt #: 201 total cpu time spent up to now is 384.8 secs Computing kpt #: 202 total cpu time spent up to now is 387.5 secs Computing kpt #: 203 total cpu time spent up to now is 389.8 secs Computing kpt #: 204 total cpu time spent up to now is 392.2 secs Computing kpt #: 205 total cpu time spent up to now is 394.4 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 397.3 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.1 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 402.9 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 405.7 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 408.4 secs Computing kpt #: 211 total cpu time spent up to now is 411.1 secs Computing kpt #: 212 total cpu time spent up to now is 413.4 secs Computing kpt #: 213 total cpu time spent up to now is 415.6 secs Computing kpt #: 214 total cpu time spent up to now is 417.8 secs Computing kpt #: 215 total cpu time spent up to now is 419.7 secs Computing kpt #: 216 total cpu time spent up to now is 421.7 secs Computing kpt #: 217 total cpu time spent up to now is 423.6 secs Computing kpt #: 218 total cpu time spent up to now is 425.4 secs Computing kpt #: 219 total cpu time spent up to now is 427.3 secs Computing kpt #: 220 total cpu time spent up to now is 429.1 secs Computing kpt #: 221 total cpu time spent up to now is 430.8 secs Computing kpt #: 222 total cpu time spent up to now is 432.4 secs Computing kpt #: 223 total cpu time spent up to now is 434.1 secs Computing kpt #: 224 total cpu time spent up to now is 435.7 secs Computing kpt #: 225 total cpu time spent up to now is 437.2 secs Computing kpt #: 226 total cpu time spent up to now is 438.7 secs Computing kpt #: 227 total cpu time spent up to now is 440.4 secs Computing kpt #: 228 total cpu time spent up to now is 442.0 secs Computing kpt #: 229 total cpu time spent up to now is 443.5 secs Computing kpt #: 230 total cpu time spent up to now is 445.0 secs Computing kpt #: 231 total cpu time spent up to now is 446.6 secs Computing kpt #: 232 total cpu time spent up to now is 448.1 secs Computing kpt #: 233 total cpu time spent up to now is 449.6 secs Computing kpt #: 234 total cpu time spent up to now is 451.0 secs Computing kpt #: 235 total cpu time spent up to now is 452.6 secs Computing kpt #: 236 total cpu time spent up to now is 454.0 secs Computing kpt #: 237 total cpu time spent up to now is 455.4 secs Computing kpt #: 238 total cpu time spent up to now is 456.9 secs Computing kpt #: 239 total cpu time spent up to now is 458.3 secs Computing kpt #: 240 total cpu time spent up to now is 459.7 secs Computing kpt #: 241 total cpu time spent up to now is 461.1 secs Computing kpt #: 242 total cpu time spent up to now is 463.0 secs Computing kpt #: 243 total cpu time spent up to now is 465.0 secs Computing kpt #: 244 total cpu time spent up to now is 466.9 secs Computing kpt #: 245 total cpu time spent up to now is 468.9 secs Computing kpt #: 246 total cpu time spent up to now is 471.0 secs Computing kpt #: 247 total cpu time spent up to now is 473.8 secs Computing kpt #: 248 total cpu time spent up to now is 476.6 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 479.5 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.3 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 488.5 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 491.4 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 494.2 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 497.0 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 499.8 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 502.7 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.4 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 508.3 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 511.1 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.8 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 516.7 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 519.5 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 522.2 secs Computing kpt #: 264 total cpu time spent up to now is 524.7 secs Computing kpt #: 265 total cpu time spent up to now is 527.1 secs Computing kpt #: 266 total cpu time spent up to now is 529.1 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 531.9 secs Computing kpt #: 268 total cpu time spent up to now is 533.9 secs Computing kpt #: 269 total cpu time spent up to now is 535.7 secs Computing kpt #: 270 total cpu time spent up to now is 537.5 secs Computing kpt #: 271 total cpu time spent up to now is 539.4 secs Computing kpt #: 272 total cpu time spent up to now is 541.8 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 544.7 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 547.7 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 550.7 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 553.7 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 556.6 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 559.5 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 562.5 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 565.5 secs Computing kpt #: 281 total cpu time spent up to now is 568.4 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 571.5 secs Computing kpt #: 283 total cpu time spent up to now is 574.4 secs Computing kpt #: 284 total cpu time spent up to now is 577.2 secs Computing kpt #: 285 total cpu time spent up to now is 579.9 secs Computing kpt #: 286 total cpu time spent up to now is 582.8 secs Computing kpt #: 287 total cpu time spent up to now is 585.2 secs Computing kpt #: 288 total cpu time spent up to now is 587.6 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.7 secs Computing kpt #: 290 total cpu time spent up to now is 593.7 secs Computing kpt #: 291 total cpu time spent up to now is 596.6 secs Computing kpt #: 292 total cpu time spent up to now is 599.6 secs Computing kpt #: 293 total cpu time spent up to now is 602.6 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 605.6 secs Computing kpt #: 295 total cpu time spent up to now is 607.9 secs Computing kpt #: 296 total cpu time spent up to now is 610.3 secs Computing kpt #: 297 total cpu time spent up to now is 612.8 secs Computing kpt #: 298 total cpu time spent up to now is 615.0 secs Computing kpt #: 299 total cpu time spent up to now is 617.3 secs Computing kpt #: 300 total cpu time spent up to now is 619.5 secs Computing kpt #: 301 total cpu time spent up to now is 621.6 secs Computing kpt #: 302 total cpu time spent up to now is 623.8 secs Computing kpt #: 303 total cpu time spent up to now is 625.9 secs ethr = 2.08E-11, avg # of iterations = 68.3 total cpu time spent up to now is 625.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4145 PWs) bands (ev): -16.9070 -16.9070 -15.3789 -15.3789 -15.3788 -15.3788 -14.7330 -14.7330 -14.7080 -14.7080 -14.7042 -14.7042 -5.7025 -5.7025 -5.7023 -5.7023 -2.8810 -2.8810 -2.8747 -2.8747 -2.6901 -2.6901 -2.6836 -2.6836 -0.4108 -0.4108 -0.4099 -0.4099 -0.1839 -0.1839 0.0775 0.0775 1.0258 1.0258 1.0515 1.0515 1.0713 1.0713 1.5174 1.5174 1.5195 1.5195 1.8403 1.8403 2.2017 2.2017 2.2121 2.2121 8.5192 8.5192 11.8539 11.8539 11.8703 11.8703 12.3096 12.3096 12.3119 12.3119 k = 0.0135 0.0078-0.0000 ( 4137 PWs) bands (ev): -16.9064 -16.9064 -15.3795 -15.3794 -15.3789 -15.3787 -14.7335 -14.7331 -14.7080 -14.7080 -14.7043 -14.7041 -5.7028 -5.7027 -5.7012 -5.7011 -2.8820 -2.8809 -2.8747 -2.8745 -2.6906 -2.6897 -2.6834 -2.6832 -0.4127 -0.4111 -0.4099 -0.4097 -0.1838 -0.1835 0.0786 0.0799 1.0242 1.0254 1.0504 1.0505 1.0704 1.0716 1.5169 1.5171 1.5193 1.5194 1.8392 1.8396 2.2023 2.2024 2.2128 2.2128 8.5222 8.5222 11.8538 11.8539 11.8703 11.8704 12.3099 12.3100 12.3125 12.3128 k = 0.0270 0.0156-0.0000 ( 4133 PWs) bands (ev): -16.9048 -16.9048 -15.3814 -15.3812 -15.3787 -15.3784 -14.7344 -14.7338 -14.7082 -14.7081 -14.7045 -14.7042 -5.7037 -5.7034 -5.6975 -5.6973 -2.8837 -2.8815 -2.8745 -2.8743 -2.6922 -2.6912 -2.6813 -2.6802 -0.4174 -0.4145 -0.4087 -0.4086 -0.1832 -0.1826 0.0830 0.0857 1.0204 1.0225 1.0473 1.0480 1.0690 1.0715 1.5153 1.5162 1.5187 1.5191 1.8363 1.8372 2.2043 2.2044 2.2148 2.2148 8.5311 8.5311 11.8535 11.8539 11.8701 11.8706 12.3100 12.3110 12.3147 12.3161 k = 0.0405 0.0234-0.0000 ( 4117 PWs) bands (ev): -16.9020 -16.9020 -15.3844 -15.3842 -15.3784 -15.3779 -14.7357 -14.7349 -14.7087 -14.7083 -14.7047 -14.7041 -5.7052 -5.7047 -5.6912 -5.6910 -2.8860 -2.8829 -2.8742 -2.8737 -2.6962 -2.6954 -2.6763 -2.6741 -0.4246 -0.4205 -0.4068 -0.4066 -0.1822 -0.1812 0.0907 0.0946 1.0136 1.0159 1.0429 1.0453 1.0671 1.0712 1.5125 1.5143 1.5180 1.5191 1.8317 1.8332 2.2074 2.2076 2.2180 2.2181 8.5460 8.5460 11.8525 11.8540 11.8699 11.8715 12.3100 12.3118 12.3194 12.3217 k = 0.0541 0.0312-0.0000 ( 4117 PWs) bands (ev): -16.8982 -16.8982 -15.3887 -15.3883 -15.3779 -15.3773 -14.7375 -14.7364 -14.7095 -14.7086 -14.7051 -14.7041 -5.7073 -5.7066 -5.6825 -5.6822 -2.8889 -2.8849 -2.8738 -2.8731 -2.7024 -2.7016 -2.6686 -2.6655 -0.4339 -0.4288 -0.4041 -0.4038 -0.1806 -0.1794 0.1011 0.1061 1.0027 1.0045 1.0383 1.0430 1.0648 1.0707 1.5087 1.5113 1.5174 1.5192 1.8256 1.8275 2.2116 2.2121 2.2224 2.2226 8.5666 8.5666 11.8508 11.8538 11.8698 11.8732 12.3102 12.3128 12.3262 12.3294 k = 0.0676 0.0390-0.0000 ( 4115 PWs) bands (ev): -16.8933 -16.8933 -15.3942 -15.3937 -15.3772 -15.3765 -14.7396 -14.7384 -14.7106 -14.7092 -14.7054 -14.7040 -5.7098 -5.7090 -5.6714 -5.6710 -2.8922 -2.8875 -2.8732 -2.8722 -2.7104 -2.7097 -2.6585 -2.6548 -0.4449 -0.4389 -0.4006 -0.4002 -0.1786 -0.1770 0.1140 0.1199 0.9872 0.9886 1.0340 1.0413 1.0621 1.0701 1.5041 1.5073 1.5169 1.5192 1.8181 1.8205 2.2165 2.2175 2.2279 2.2284 8.5930 8.5930 11.8484 11.8531 11.8703 11.8756 12.3109 12.3142 12.3352 12.3390 k = 0.0811 0.0468-0.0000 ( 4113 PWs) bands (ev): -16.8873 -16.8873 -15.4008 -15.4004 -15.3764 -15.3756 -14.7420 -14.7406 -14.7119 -14.7100 -14.7057 -14.7039 -5.7129 -5.7120 -5.6578 -5.6574 -2.8957 -2.8905 -2.8727 -2.8714 -2.7202 -2.7194 -2.6465 -2.6422 -0.4573 -0.4505 -0.3964 -0.3958 -0.1761 -0.1743 0.1288 0.1355 0.9673 0.9684 1.0300 1.0397 1.0593 1.0692 1.4988 1.5026 1.5166 1.5194 1.8094 1.8123 2.2221 2.2237 2.2344 2.2354 8.6249 8.6249 11.8454 11.8518 11.8716 11.8788 12.3124 12.3162 12.3461 12.3506 k = 0.0946 0.0546-0.0000 ( 4113 PWs) bands (ev): -16.8803 -16.8803 -15.4088 -15.4082 -15.3755 -15.3745 -14.7446 -14.7431 -14.7134 -14.7112 -14.7060 -14.7039 -5.7165 -5.7154 -5.6420 -5.6415 -2.8994 -2.8937 -2.8722 -2.8706 -2.7315 -2.7306 -2.6325 -2.6278 -0.4706 -0.4632 -0.3914 -0.3906 -0.1733 -0.1711 0.1450 0.1524 0.9435 0.9445 1.0259 1.0379 1.0563 1.0682 1.4929 1.4973 1.5163 1.5195 1.7997 1.8030 2.2280 2.2304 2.2420 2.2434 8.6622 8.6623 11.8422 11.8499 11.8737 11.8825 12.3148 12.3191 12.3588 12.3639 k = 0.1081 0.0624-0.0000 ( 4121 PWs) bands (ev): -16.8722 -16.8722 -15.4179 -15.4173 -15.3744 -15.3734 -14.7474 -14.7458 -14.7152 -14.7126 -14.7063 -14.7040 -5.7205 -5.7193 -5.6239 -5.6233 -2.9030 -2.8970 -2.8719 -2.8701 -2.7442 -2.7431 -2.6169 -2.6120 -0.4844 -0.4765 -0.3856 -0.3847 -0.1701 -0.1677 0.1624 0.1703 0.9163 0.9171 1.0215 1.0356 1.0533 1.0669 1.4866 1.4915 1.5162 1.5198 1.7891 1.7929 2.2341 2.2372 2.2505 2.2524 8.7048 8.7048 11.8390 11.8477 11.8765 11.8866 12.3182 12.3231 12.3734 12.3790 k = 0.1216 0.0702-0.0000 ( 4129 PWs) bands (ev): -16.8631 -16.8631 -15.4283 -15.4276 -15.3732 -15.3720 -14.7503 -14.7487 -14.7171 -14.7142 -14.7067 -14.7042 -5.7249 -5.7236 -5.6036 -5.6030 -2.9066 -2.9003 -2.8722 -2.8700 -2.7579 -2.7566 -2.5998 -2.5946 -0.4986 -0.4902 -0.3791 -0.3781 -0.1666 -0.1639 0.1804 0.1888 0.8858 0.8866 1.0167 1.0325 1.0503 1.0654 1.4801 1.4854 1.5162 1.5202 1.7780 1.7822 2.2402 2.2439 2.2600 2.2623 8.7523 8.7523 11.8361 11.8455 11.8799 11.8911 12.3230 12.3283 12.3896 12.3956 k = 0.1351 0.0780-0.0000 ( 4133 PWs) bands (ev): -16.8530 -16.8530 -15.4399 -15.4392 -15.3719 -15.3706 -14.7534 -14.7517 -14.7191 -14.7160 -14.7072 -14.7046 -5.7297 -5.7283 -5.5812 -5.5805 -2.9101 -2.9036 -2.8731 -2.8706 -2.7724 -2.7708 -2.5812 -2.5760 -0.5127 -0.5040 -0.3719 -0.3707 -0.1630 -0.1600 0.1988 0.2077 0.8526 0.8532 1.0114 1.0284 1.0474 1.0636 1.4735 1.4792 1.5164 1.5208 1.7664 1.7710 2.2462 2.2505 2.2702 2.2728 8.8046 8.8047 11.8336 11.8436 11.8837 11.8957 12.3291 12.3347 12.4074 12.4139 k = 0.1486 0.0858-0.0000 ( 4137 PWs) bands (ev): -16.8418 -16.8418 -15.4527 -15.4519 -15.3704 -15.3690 -14.7564 -14.7548 -14.7212 -14.7179 -14.7078 -14.7050 -5.7348 -5.7333 -5.5568 -5.5561 -2.9134 -2.9067 -2.8754 -2.8726 -2.7869 -2.7851 -2.5614 -2.5561 -0.5266 -0.5177 -0.3640 -0.3627 -0.1592 -0.1559 0.2174 0.2265 0.8168 0.8174 1.0055 1.0234 1.0447 1.0615 1.4669 1.4729 1.5168 1.5215 1.7547 1.7597 2.2520 2.2568 2.2811 2.2838 8.8615 8.8615 11.8317 11.8421 11.8877 11.9005 12.3367 12.3425 12.4267 12.4336 k = 0.1622 0.0936-0.0000 ( 4153 PWs) bands (ev): -16.8297 -16.8297 -15.4667 -15.4659 -15.3689 -15.3674 -14.7595 -14.7578 -14.7235 -14.7200 -14.7085 -14.7057 -5.7403 -5.7387 -5.5306 -5.5298 -2.9167 -2.9098 -2.8796 -2.8766 -2.8006 -2.7986 -2.5404 -2.5351 -0.5401 -0.5310 -0.3555 -0.3540 -0.1555 -0.1519 0.2359 0.2452 0.7788 0.7793 0.9991 1.0173 1.0418 1.0589 1.4605 1.4668 1.5173 1.5223 1.7431 1.7483 2.2574 2.2626 2.2924 2.2953 8.9226 8.9227 11.8308 11.8414 11.8920 11.9053 12.3456 12.3516 12.4475 12.4547 k = 0.1757 0.1014-0.0000 ( 4155 PWs) bands (ev): -16.8166 -16.8166 -15.4819 -15.4811 -15.3672 -15.3657 -14.7626 -14.7609 -14.7257 -14.7221 -14.7093 -14.7064 -5.7460 -5.7443 -5.5026 -5.5018 -2.9199 -2.9129 -2.8868 -2.8837 -2.8123 -2.8102 -2.5184 -2.5131 -0.5531 -0.5437 -0.3465 -0.3448 -0.1518 -0.1478 0.2541 0.2636 0.7389 0.7394 0.9920 1.0104 1.0387 1.0558 1.4543 1.4608 1.5179 1.5232 1.7317 1.7373 2.2625 2.2680 2.3041 2.3070 8.9877 8.9878 11.8309 11.8416 11.8964 11.9100 12.3559 12.3620 12.4697 12.4772 k = 0.1892 0.1092-0.0000 ( 4157 PWs) bands (ev): -16.8026 -16.8026 -15.4982 -15.4974 -15.3655 -15.3638 -14.7656 -14.7639 -14.7280 -14.7242 -14.7103 -14.7074 -5.7519 -5.7502 -5.4730 -5.4722 -2.9235 -2.9164 -2.8972 -2.8943 -2.8211 -2.8190 -2.4954 -2.4901 -0.5653 -0.5559 -0.3370 -0.3350 -0.1482 -0.1439 0.2719 0.2815 0.6976 0.6980 0.9842 1.0026 1.0352 1.0522 1.4486 1.4551 1.5185 1.5240 1.7210 1.7267 2.2670 2.2729 2.3160 2.3189 9.0566 9.0567 11.8321 11.8428 11.9009 11.9147 12.3674 12.3735 12.4932 12.5010 k = 0.2027 0.1170-0.0000 ( 4147 PWs) bands (ev): -16.7877 -16.7877 -15.5157 -15.5148 -15.3636 -15.3619 -14.7685 -14.7669 -14.7303 -14.7264 -14.7114 -14.7084 -5.7580 -5.7562 -5.4420 -5.4411 -2.9292 -2.9226 -2.9091 -2.9061 -2.8269 -2.8251 -2.4715 -2.4664 -0.5767 -0.5672 -0.3271 -0.3249 -0.1447 -0.1402 0.2890 0.2987 0.6553 0.6556 0.9759 0.9940 1.0313 1.0478 1.4432 1.4498 1.5190 1.5248 1.7112 1.7170 2.2709 2.2771 2.3280 2.3309 9.1289 9.1290 11.8347 11.8452 11.9054 11.9192 12.3798 12.3859 12.5180 12.5260 k = 0.2162 0.1248-0.0000 ( 4147 PWs) bands (ev): -16.7719 -16.7719 -15.5342 -15.5333 -15.3617 -15.3600 -14.7713 -14.7697 -14.7326 -14.7287 -14.7125 -14.7096 -5.7642 -5.7624 -5.4096 -5.4086 -2.9411 -2.9365 -2.9176 -2.9132 -2.8306 -2.8289 -2.4470 -2.4420 -0.5873 -0.5777 -0.3170 -0.3145 -0.1416 -0.1367 0.3054 0.3150 0.6123 0.6126 0.9669 0.9846 1.0266 1.0427 1.4383 1.4449 1.5193 1.5252 1.7025 1.7084 2.2743 2.2806 2.3399 2.3428 9.2044 9.2046 11.8386 11.8487 11.9099 11.9235 12.3929 12.3990 12.5441 12.5523 k = 0.2297 0.1326-0.0000 ( 4148 PWs) bands (ev): -16.7553 -16.7553 -15.5537 -15.5528 -15.3598 -15.3580 -14.7739 -14.7724 -14.7349 -14.7309 -14.7138 -14.7108 -5.7705 -5.7686 -5.3761 -5.3751 -2.9596 -2.9564 -2.9216 -2.9163 -2.8330 -2.8313 -2.4219 -2.4171 -0.5968 -0.5872 -0.3068 -0.3040 -0.1386 -0.1334 0.3207 0.3302 0.5694 0.5697 0.9572 0.9745 1.0213 1.0367 1.4340 1.4405 1.5193 1.5251 1.6954 1.7011 2.2769 2.2835 2.3518 2.3546 9.2828 9.2830 11.8437 11.8533 11.9144 11.9277 12.4064 12.4125 12.5714 12.5798 k = 0.2432 0.1404-0.0000 ( 4154 PWs) bands (ev): -16.7379 -16.7379 -15.5742 -15.5733 -15.3578 -15.3560 -14.7764 -14.7750 -14.7372 -14.7331 -14.7152 -14.7122 -5.7768 -5.7749 -5.3416 -5.3406 -2.9814 -2.9789 -2.9237 -2.9181 -2.8347 -2.8329 -2.3964 -2.3917 -0.6053 -0.5957 -0.2968 -0.2936 -0.1359 -0.1304 0.3345 0.3439 0.5272 0.5276 0.9469 0.9636 1.0152 1.0298 1.4302 1.4366 1.5187 1.5244 1.6899 1.6953 2.2790 2.2857 2.3634 2.3662 9.3637 9.3640 11.8498 11.8586 11.9189 11.9317 12.4199 12.4258 12.6000 12.6084 k = 0.2568 0.1482-0.0000 ( 4158 PWs) bands (ev): -16.7198 -16.7198 -15.5955 -15.5947 -15.3558 -15.3539 -14.7788 -14.7774 -14.7394 -14.7353 -14.7166 -14.7136 -5.7830 -5.7812 -5.3063 -5.3053 -3.0049 -3.0028 -2.9249 -2.9191 -2.8360 -2.8342 -2.3705 -2.3661 -0.6127 -0.6031 -0.2871 -0.2836 -0.1334 -0.1276 0.3458 0.3548 0.4874 0.4880 0.9360 0.9519 1.0084 1.0220 1.4269 1.4332 1.5175 1.5230 1.6864 1.6914 2.2803 2.2872 2.3748 2.3775 9.4470 9.4472 11.8567 11.8644 11.9236 11.9357 12.4328 12.4387 12.6297 12.6382 k = 0.2703 0.1560-0.0000 ( 4160 PWs) bands (ev): -16.7010 -16.7010 -15.6176 -15.6168 -15.3537 -15.3519 -14.7810 -14.7797 -14.7416 -14.7375 -14.7181 -14.7152 -5.7893 -5.7875 -5.2705 -5.2694 -3.0293 -3.0276 -2.9255 -2.9198 -2.8372 -2.8353 -2.3446 -2.3404 -0.6189 -0.6093 -0.2783 -0.2743 -0.1310 -0.1251 0.3520 0.3601 0.4529 0.4542 0.9246 0.9396 1.0008 1.0132 1.4242 1.4303 1.5157 1.5209 1.6847 1.6893 2.2810 2.2879 2.3859 2.3885 9.5322 9.5325 11.8635 11.8698 11.9290 11.9403 12.4447 12.4505 12.6606 12.6690 k = 0.2838 0.1638-0.0000 ( 4144 PWs) bands (ev): -16.6816 -16.6815 -15.6404 -15.6396 -15.3517 -15.3499 -14.7830 -14.7818 -14.7436 -14.7395 -14.7197 -14.7167 -5.7954 -5.7936 -5.2343 -5.2332 -3.0544 -3.0529 -2.9257 -2.9200 -2.8385 -2.8364 -2.3187 -2.3147 -0.6239 -0.6144 -0.2705 -0.2660 -0.1287 -0.1228 0.3470 0.3530 0.4303 0.4336 0.9127 0.9266 0.9924 1.0036 1.4220 1.4279 1.5133 1.5183 1.6849 1.6889 2.2811 2.2881 2.3966 2.3991 9.6191 9.6195 11.8689 11.8740 11.9357 11.9462 12.4551 12.4608 12.6927 12.7009 k = 0.2973 0.1716-0.0000 ( 4144 PWs) bands (ev): -16.6617 -16.6616 -15.6638 -15.6631 -15.3497 -15.3479 -14.7848 -14.7837 -14.7456 -14.7416 -14.7212 -14.7183 -5.8014 -5.7997 -5.1980 -5.1969 -3.0797 -3.0784 -2.9255 -2.9199 -2.8398 -2.8376 -2.2930 -2.2892 -0.6276 -0.6182 -0.2642 -0.2593 -0.1266 -0.1207 0.3269 0.3307 0.4242 0.4294 0.9003 0.9130 0.9833 0.9931 1.4203 1.4259 1.5106 1.5151 1.6868 1.6902 2.2806 2.2875 2.4069 2.4092 9.7074 9.7078 11.8712 11.8762 11.9443 11.9544 12.4633 12.4688 12.7259 12.7338 k = 0.3108 0.1794-0.0000 ( 4144 PWs) bands (ev): -16.6412 -16.6412 -15.6877 -15.6869 -15.3477 -15.3459 -14.7865 -14.7854 -14.7475 -14.7435 -14.7228 -14.7200 -5.8071 -5.8055 -5.1618 -5.1608 -3.1051 -3.1040 -2.9250 -2.9194 -2.8413 -2.8390 -2.2677 -2.2641 -0.6301 -0.6207 -0.2599 -0.2545 -0.1246 -0.1191 0.2990 0.3017 0.4279 0.4337 0.8876 0.8989 0.9737 0.9820 1.4191 1.4243 1.5077 1.5117 1.6900 1.6929 2.2796 2.2864 2.4167 2.4189 9.7967 9.7972 11.8693 11.8752 11.9553 11.9655 12.4687 12.4741 12.7601 12.7676 k = 0.3243 0.1872-0.0000 ( 4148 PWs) bands (ev): -16.6205 -16.6204 -15.7119 -15.7112 -15.3457 -15.3440 -14.7881 -14.7870 -14.7493 -14.7454 -14.7244 -14.7216 -5.8127 -5.8111 -5.1261 -5.1250 -3.1303 -3.1294 -2.9241 -2.9186 -2.8430 -2.8406 -2.2429 -2.2396 -0.6312 -0.6220 -0.2579 -0.2520 -0.1229 -0.1181 0.2707 0.2730 0.4347 0.4405 0.8746 0.8844 0.9635 0.9702 1.4182 1.4231 1.5047 1.5084 1.6943 1.6967 2.2781 2.2848 2.4260 2.4280 9.8866 9.8872 11.8631 11.8699 11.9691 11.9795 12.4709 12.4760 12.7952 12.8022 k = 0.3378 0.1951-0.0000 ( 4144 PWs) bands (ev): -16.5994 -16.5993 -15.7362 -15.7356 -15.3438 -15.3422 -14.7894 -14.7885 -14.7509 -14.7471 -14.7259 -14.7233 -5.8180 -5.8165 -5.0910 -5.0900 -3.1552 -3.1543 -2.9229 -2.9176 -2.8449 -2.8425 -2.2189 -2.2159 -0.6310 -0.6219 -0.2587 -0.2521 -0.1218 -0.1180 0.2452 0.2475 0.4421 0.4474 0.8615 0.8698 0.9530 0.9581 1.4177 1.4223 1.5019 1.5052 1.6994 1.7014 2.2762 2.2827 2.4347 2.4366 9.9769 9.9775 11.8525 11.8599 11.9854 11.9958 12.4695 12.4742 12.8310 12.8374 k = 0.3514 0.2029-0.0000 ( 4144 PWs) bands (ev): -16.5783 -16.5782 -15.7606 -15.7600 -15.3420 -15.3405 -14.7906 -14.7898 -14.7524 -14.7488 -14.7274 -14.7249 -5.8230 -5.8216 -5.0569 -5.0559 -3.1794 -3.1787 -2.9214 -2.9162 -2.8470 -2.8445 -2.1959 -2.1931 -0.6295 -0.6205 -0.2624 -0.2552 -0.1216 -0.1191 0.2243 0.2268 0.4489 0.4535 0.8486 0.8552 0.9423 0.9458 1.4174 1.4217 1.4993 1.5023 1.7049 1.7066 2.2740 2.2803 2.4428 2.4446 10.0669 10.0676 11.8375 11.8451 12.0038 12.0140 12.4641 12.4685 12.8673 12.8728 k = 0.3649 0.2107-0.0000 ( 4156 PWs) bands (ev): -16.5572 -16.5571 -15.7848 -15.7842 -15.3403 -15.3388 -14.7917 -14.7909 -14.7538 -14.7503 -14.7289 -14.7264 -5.8277 -5.8264 -5.0241 -5.0232 -3.2028 -3.2021 -2.9196 -2.9146 -2.8494 -2.8468 -2.1740 -2.1715 -0.6266 -0.6177 -0.2692 -0.2614 -0.1227 -0.1215 0.2090 0.2117 0.4544 0.4583 0.8361 0.8409 0.9315 0.9335 1.4174 1.4213 1.4972 1.4997 1.7107 1.7121 2.2716 2.2776 2.4504 2.4520 10.1564 10.1571 11.8180 11.8254 12.0237 12.0337 12.4550 12.4590 12.9036 12.9082 k = 0.3784 0.2185-0.0000 ( 4154 PWs) bands (ev): -16.5364 -16.5363 -15.8085 -15.8079 -15.3387 -15.3373 -14.7926 -14.7919 -14.7550 -14.7518 -14.7302 -14.7279 -5.8320 -5.8308 -4.9929 -4.9920 -3.2251 -3.2245 -2.9176 -2.9128 -2.8519 -2.8492 -2.1535 -2.1512 -0.6224 -0.6137 -0.2790 -0.2707 -0.1251 -0.1250 0.1994 0.2027 0.4585 0.4615 0.8242 0.8274 0.9207 0.9216 1.4176 1.4211 1.4954 1.4977 1.7165 1.7177 2.2690 2.2747 2.4572 2.4587 10.2447 10.2455 11.7940 11.8010 12.0448 12.0546 12.4424 12.4461 12.9394 12.9429 k = 0.3919 0.2263-0.0000 ( 4144 PWs) bands (ev): -16.5160 -16.5159 -15.8315 -15.8310 -15.3372 -15.3360 -14.7934 -14.7928 -14.7561 -14.7531 -14.7314 -14.7293 -5.8359 -5.8348 -4.9637 -4.9629 -3.2461 -3.2456 -2.9154 -2.9107 -2.8546 -2.8518 -2.1344 -2.1324 -0.6169 -0.6085 -0.2916 -0.2830 -0.1295 -0.1284 0.1955 0.1992 0.4607 0.4628 0.8133 0.8149 0.9096 0.9108 1.4180 1.4210 1.4941 1.4961 1.7221 1.7232 2.2665 2.2717 2.4635 2.4648 10.3312 10.3321 11.7655 11.7721 12.0669 12.0763 12.4269 12.4305 12.9738 12.9764 k = 0.4054 0.2341-0.0000 ( 4152 PWs) bands (ev): -16.4965 -16.4963 -15.8536 -15.8531 -15.3358 -15.3347 -14.7941 -14.7935 -14.7570 -14.7543 -14.7326 -14.7306 -5.8394 -5.8384 -4.9368 -4.9361 -3.2654 -3.2650 -2.9130 -2.9085 -2.8573 -2.8546 -2.1171 -2.1154 -0.6102 -0.6021 -0.3065 -0.2978 -0.1343 -0.1325 0.1965 0.2005 0.4610 0.4621 0.8033 0.8040 0.8987 0.9007 1.4184 1.4211 1.4931 1.4949 1.7274 1.7284 2.2640 2.2687 2.4690 2.4701 10.4151 10.4161 11.7331 11.7392 12.0897 12.0986 12.4091 12.4126 13.0050 13.0080 k = 0.4189 0.2419-0.0000 ( 4154 PWs) bands (ev): -16.4780 -16.4779 -15.8742 -15.8738 -15.3346 -15.3337 -14.7946 -14.7942 -14.7578 -14.7554 -14.7335 -14.7318 -5.8425 -5.8416 -4.9126 -4.9119 -3.2829 -3.2826 -2.9104 -2.9062 -2.8602 -2.8575 -2.1017 -2.1002 -0.6025 -0.5947 -0.3229 -0.3144 -0.1389 -0.1368 0.2014 0.2056 0.4592 0.4594 0.7941 0.7955 0.8886 0.8913 1.4189 1.4212 1.4925 1.4940 1.7322 1.7331 2.2617 2.2658 2.4738 2.4748 10.4953 10.4963 11.6976 11.7030 12.1129 12.1214 12.3896 12.3931 13.0310 13.0359 k = 0.4324 0.2497-0.0000 ( 4140 PWs) bands (ev): -16.4611 -16.4610 -15.8930 -15.8926 -15.3336 -15.3327 -14.7951 -14.7947 -14.7584 -14.7564 -14.7344 -14.7329 -5.8451 -5.8444 -4.8914 -4.8908 -3.2983 -3.2980 -2.9078 -2.9039 -2.8630 -2.8603 -2.0884 -2.0871 -0.5939 -0.5866 -0.3399 -0.3319 -0.1430 -0.1408 0.2090 0.2131 0.4551 0.4557 0.7866 0.7887 0.8796 0.8827 1.4194 1.4213 1.4922 1.4934 1.7365 1.7373 2.2596 2.2632 2.4780 2.4788 10.5705 10.5715 11.6602 11.6649 12.1365 12.1445 12.3689 12.3725 13.0493 13.0551 k = 0.4459 0.2575-0.0000 ( 4144 PWs) bands (ev): -16.4462 -16.4461 -15.9094 -15.9091 -15.3327 -15.3320 -14.7954 -14.7951 -14.7589 -14.7572 -14.7350 -14.7338 -5.8472 -5.8467 -4.8735 -4.8730 -3.3113 -3.3110 -2.9051 -2.9016 -2.8657 -2.8632 -2.0772 -2.0762 -0.5849 -0.5783 -0.3565 -0.3492 -0.1464 -0.1445 0.2181 0.2219 0.4497 0.4508 0.7809 0.7834 0.8719 0.8751 1.4198 1.4214 1.4920 1.4930 1.7401 1.7408 2.2579 2.2608 2.4814 2.4820 10.6387 10.6397 11.6227 11.6267 12.1602 12.1677 12.3473 12.3512 13.0595 13.0635 k = 0.4595 0.2653-0.0000 ( 4138 PWs) bands (ev): -16.4337 -16.4337 -15.9230 -15.9228 -15.3319 -15.3314 -14.7957 -14.7955 -14.7592 -14.7579 -14.7355 -14.7346 -5.8489 -5.8485 -4.8592 -4.8588 -3.3216 -3.3214 -2.9025 -2.8996 -2.8681 -2.8659 -2.0683 -2.0676 -0.5760 -0.5704 -0.3715 -0.3653 -0.1490 -0.1475 0.2274 0.2306 0.4439 0.4452 0.7770 0.7795 0.8657 0.8686 1.4203 1.4214 1.4921 1.4928 1.7430 1.7435 2.2565 2.2588 2.4841 2.4846 10.6975 10.6984 11.5879 11.5910 12.1839 12.1909 12.3253 12.3295 13.0647 13.0672 k = 0.4730 0.2731-0.0000 ( 4140 PWs) bands (ev): -16.4244 -16.4243 -15.9333 -15.9331 -15.3314 -15.3310 -14.7959 -14.7957 -14.7593 -14.7585 -14.7358 -14.7352 -5.8501 -5.8498 -4.8488 -4.8486 -3.3292 -3.3291 -2.9002 -2.8980 -2.8700 -2.8682 -2.0619 -2.0614 -0.5680 -0.5638 -0.3834 -0.3789 -0.1508 -0.1497 0.2356 0.2380 0.4387 0.4399 0.7747 0.7767 0.8614 0.8635 1.4207 1.4214 1.4922 1.4927 1.7451 1.7455 2.2556 2.2572 2.4860 2.4863 10.7437 10.7444 11.5589 11.5611 12.2074 12.2138 12.3030 12.3075 13.0676 13.0692 k = 0.4865 0.2809-0.0000 ( 4136 PWs) bands (ev): -16.4185 -16.4185 -15.9396 -15.9395 -15.3310 -15.3308 -14.7960 -14.7959 -14.7593 -14.7589 -14.7360 -14.7356 -5.8508 -5.8506 -4.8425 -4.8423 -3.3338 -3.3337 -2.8984 -2.8972 -2.8710 -2.8700 -2.0580 -2.0577 -0.5620 -0.5597 -0.3908 -0.3884 -0.1518 -0.1512 0.2415 0.2427 0.4352 0.4359 0.7738 0.7748 0.8589 0.8601 1.4210 1.4214 1.4923 1.4925 1.7465 1.7467 2.2553 2.2560 2.4872 2.4874 10.7737 10.7741 11.5396 11.5407 12.2303 12.2359 12.2811 12.2857 13.0694 13.0702 k = 0.5000 0.2887-0.0000 ( 4132 PWs) bands (ev): -16.4166 -16.4166 -15.9417 -15.9417 -15.3308 -15.3308 -14.7960 -14.7960 -14.7592 -14.7592 -14.7359 -14.7359 -5.8510 -5.8510 -4.8403 -4.8403 -3.3353 -3.3353 -2.8973 -2.8973 -2.8710 -2.8710 -2.0566 -2.0566 -0.5590 -0.5590 -0.3926 -0.3926 -0.1519 -0.1519 0.2440 0.2440 0.4342 0.4342 0.7739 0.7739 0.8585 0.8585 1.4212 1.4212 1.4924 1.4924 1.7470 1.7470 2.2554 2.2554 2.4877 2.4877 10.7843 10.7843 11.5331 11.5331 12.2482 12.2482 12.2685 12.2685 13.0702 13.0702 k = 0.5000 0.2887-0.0000 ( 4132 PWs) bands (ev): -16.4166 -16.4166 -15.9417 -15.9417 -15.3308 -15.3308 -14.7960 -14.7960 -14.7592 -14.7592 -14.7359 -14.7359 -5.8510 -5.8510 -4.8403 -4.8403 -3.3353 -3.3353 -2.8973 -2.8973 -2.8710 -2.8710 -2.0566 -2.0566 -0.5590 -0.5590 -0.3926 -0.3926 -0.1519 -0.1519 0.2440 0.2440 0.4342 0.4342 0.7739 0.7739 0.8585 0.8585 1.4212 1.4212 1.4924 1.4924 1.7470 1.7470 2.2554 2.2554 2.4877 2.4877 10.7843 10.7843 11.5331 11.5331 12.2482 12.2482 12.2685 12.2685 13.0702 13.0702 k = 0.4924 0.3018-0.0000 ( 4136 PWs) bands (ev): -16.4160 -16.4160 -15.9422 -15.9421 -15.3311 -15.3310 -14.7960 -14.7959 -14.7592 -14.7591 -14.7359 -14.7359 -5.8514 -5.8513 -4.8386 -4.8383 -3.3392 -3.3390 -2.8952 -2.8951 -2.8708 -2.8707 -2.0563 -2.0562 -0.5588 -0.5582 -0.3927 -0.3922 -0.1535 -0.1528 0.2444 0.2453 0.4343 0.4344 0.7742 0.7750 0.8576 0.8576 1.4192 1.4192 1.4918 1.4920 1.7490 1.7490 2.2547 2.2553 2.4876 2.4882 10.7858 10.7861 11.5336 11.5338 12.2473 12.2475 12.2702 12.2703 13.0705 13.0705 k = 0.4848 0.3149-0.0000 ( 4148 PWs) bands (ev): -16.4144 -16.4144 -15.9436 -15.9434 -15.3318 -15.3316 -14.7959 -14.7959 -14.7592 -14.7591 -14.7360 -14.7358 -5.8526 -5.8523 -4.8333 -4.8328 -3.3505 -3.3501 -2.8890 -2.8888 -2.8701 -2.8699 -2.0554 -2.0552 -0.5575 -0.5565 -0.3926 -0.3917 -0.1574 -0.1561 0.2464 0.2481 0.4347 0.4350 0.7761 0.7776 0.8548 0.8549 1.4132 1.4133 1.4901 1.4904 1.7549 1.7549 2.2532 2.2544 2.4879 2.4892 10.7906 10.7911 11.5352 11.5355 12.2448 12.2451 12.2753 12.2757 13.0714 13.0715 k = 0.4773 0.3280-0.0000 ( 4148 PWs) bands (ev): -16.4118 -16.4117 -15.9458 -15.9456 -15.3330 -15.3326 -14.7959 -14.7958 -14.7591 -14.7590 -14.7360 -14.7358 -5.8545 -5.8541 -4.8245 -4.8237 -3.3684 -3.3678 -2.8795 -2.8792 -2.8688 -2.8684 -2.0538 -2.0536 -0.5553 -0.5537 -0.3924 -0.3909 -0.1634 -0.1616 0.2499 0.2524 0.4354 0.4359 0.7794 0.7816 0.8502 0.8504 1.4038 1.4040 1.4873 1.4879 1.7642 1.7643 2.2509 2.2527 2.4887 2.4906 10.7987 10.7995 11.5379 11.5384 12.2406 12.2410 12.2840 12.2845 13.0730 13.0730 k = 0.4697 0.3412-0.0000 ( 4156 PWs) bands (ev): -16.4080 -16.4079 -15.9490 -15.9486 -15.3345 -15.3340 -14.7958 -14.7957 -14.7590 -14.7589 -14.7361 -14.7359 -5.8571 -5.8565 -4.8122 -4.8111 -3.3920 -3.3913 -2.8693 -2.8687 -2.8653 -2.8650 -2.0515 -2.0512 -0.5521 -0.5500 -0.3919 -0.3900 -0.1715 -0.1691 0.2550 0.2581 0.4365 0.4371 0.7840 0.7868 0.8439 0.8441 1.3917 1.3920 1.4836 1.4843 1.7764 1.7764 2.2480 2.2503 2.4899 2.4924 10.8100 10.8111 11.5416 11.5423 12.2346 12.2351 12.2962 12.2969 13.0751 13.0752 k = 0.4621 0.3543-0.0000 ( 4156 PWs) bands (ev): -16.4032 -16.4031 -15.9530 -15.9526 -15.3364 -15.3357 -14.7956 -14.7955 -14.7589 -14.7587 -14.7362 -14.7359 -5.8602 -5.8595 -4.7965 -4.7952 -3.4203 -3.4194 -2.8657 -2.8650 -2.8533 -2.8529 -2.0486 -2.0482 -0.5480 -0.5454 -0.3913 -0.3889 -0.1812 -0.1784 0.2614 0.2650 0.4378 0.4386 0.7897 0.7931 0.8359 0.8362 1.3775 1.3779 1.4788 1.4797 1.7908 1.7908 2.2443 2.2470 2.4914 2.4944 10.8245 10.8259 11.5463 11.5472 12.2268 12.2274 12.3120 12.3128 13.0777 13.0779 k = 0.4545 0.3674-0.0000 ( 4156 PWs) bands (ev): -16.3974 -16.3972 -15.9580 -15.9575 -15.3386 -15.3378 -14.7955 -14.7953 -14.7587 -14.7585 -14.7363 -14.7360 -5.8638 -5.8630 -4.7775 -4.7761 -3.4524 -3.4514 -2.8630 -2.8621 -2.8394 -2.8389 -2.0449 -2.0446 -0.5431 -0.5400 -0.3906 -0.3877 -0.1923 -0.1892 0.2690 0.2730 0.4396 0.4404 0.7962 0.8001 0.8263 0.8266 1.3620 1.3624 1.4731 1.4741 1.8068 1.8069 2.2401 2.2431 2.4933 2.4967 10.8422 10.8438 11.5519 11.5529 12.2172 12.2179 12.3312 12.3322 13.0809 13.0811 k = 0.4470 0.3805-0.0000 ( 4158 PWs) bands (ev): -16.3905 -16.3903 -15.9640 -15.9634 -15.3410 -15.3401 -14.7953 -14.7951 -14.7585 -14.7583 -14.7365 -14.7361 -5.8678 -5.8669 -4.7555 -4.7539 -3.4876 -3.4865 -2.8599 -2.8589 -2.8255 -2.8251 -2.0407 -2.0402 -0.5375 -0.5338 -0.3899 -0.3866 -0.2045 -0.2012 0.2778 0.2820 0.4416 0.4426 0.8032 0.8075 0.8154 0.8158 1.3458 1.3461 1.4664 1.4676 1.8241 1.8242 2.2352 2.2384 2.4955 2.4991 10.8629 10.8647 11.5583 11.5595 12.2057 12.2065 12.3539 12.3550 13.0846 13.0848 k = 0.4394 0.3936-0.0000 ( 4156 PWs) bands (ev): -16.3825 -16.3823 -15.9709 -15.9702 -15.3435 -15.3426 -14.7951 -14.7949 -14.7583 -14.7580 -14.7367 -14.7363 -5.8720 -5.8711 -4.7305 -4.7287 -3.5253 -3.5240 -2.8563 -2.8553 -2.8124 -2.8118 -2.0357 -2.0353 -0.5312 -0.5269 -0.3891 -0.3854 -0.2174 -0.2140 0.2877 0.2918 0.4440 0.4450 0.8024 0.8024 0.8116 0.8158 1.3294 1.3297 1.4589 1.4603 1.8422 1.8424 2.2297 2.2331 2.4978 2.5016 10.8865 10.8885 11.5653 11.5666 12.1922 12.1931 12.3799 12.3812 13.0887 13.0889 k = 0.4318 0.4068-0.0000 ( 4160 PWs) bands (ev): -16.3736 -16.3733 -15.9788 -15.9781 -15.3462 -15.3453 -14.7949 -14.7947 -14.7580 -14.7577 -14.7370 -14.7365 -5.8764 -5.8754 -4.7027 -4.7008 -3.5650 -3.5637 -2.8524 -2.8512 -2.8003 -2.7997 -2.0302 -2.0297 -0.5243 -0.5195 -0.3885 -0.3843 -0.2309 -0.2274 0.2985 0.3026 0.4467 0.4478 0.7889 0.7891 0.8187 0.8233 1.3135 1.3137 1.4506 1.4521 1.8609 1.8610 2.2237 2.2271 2.5003 2.5042 10.9129 10.9152 11.5727 11.5742 12.1768 12.1778 12.4092 12.4107 13.0931 13.0933 k = 0.4242 0.4199-0.0000 ( 4156 PWs) bands (ev): -16.3636 -16.3633 -15.9877 -15.9870 -15.3490 -15.3480 -14.7947 -14.7944 -14.7576 -14.7574 -14.7373 -14.7368 -5.8809 -5.8799 -4.6724 -4.6704 -3.6064 -3.6050 -2.8481 -2.8468 -2.7896 -2.7890 -2.0241 -2.0236 -0.5170 -0.5117 -0.3880 -0.3834 -0.2445 -0.2410 0.3102 0.3141 0.4497 0.4508 0.7742 0.7744 0.8255 0.8303 1.2985 1.2986 1.4415 1.4432 1.8799 1.8800 2.2171 2.2205 2.5028 2.5068 10.9420 10.9445 11.5802 11.5820 12.1596 12.1607 12.4418 12.4434 13.0977 13.0978 k = 0.4167 0.4330-0.0000 ( 4168 PWs) bands (ev): -16.3527 -16.3523 -15.9976 -15.9969 -15.3517 -15.3507 -14.7944 -14.7942 -14.7572 -14.7569 -14.7377 -14.7373 -5.8853 -5.8843 -4.6396 -4.6375 -3.6492 -3.6477 -2.8434 -2.8420 -2.7805 -2.7798 -2.0176 -2.0171 -0.5092 -0.5034 -0.3877 -0.3828 -0.2581 -0.2546 0.3227 0.3263 0.4530 0.4540 0.7586 0.7588 0.8315 0.8363 1.2849 1.2849 1.4318 1.4337 1.8990 1.8991 2.2100 2.2132 2.5054 2.5093 10.9737 10.9764 11.5877 11.5896 12.1404 12.1416 12.4775 12.4791 13.1021 13.1022 k = 0.4091 0.4461-0.0000 ( 4156 PWs) bands (ev): -16.3407 -16.3404 -16.0086 -16.0078 -15.3543 -15.3533 -14.7942 -14.7940 -14.7568 -14.7565 -14.7382 -14.7378 -5.8897 -5.8887 -4.6045 -4.6023 -3.6931 -3.6916 -2.8384 -2.8369 -2.7730 -2.7722 -2.0108 -2.0103 -0.5013 -0.4950 -0.3877 -0.3824 -0.2713 -0.2680 0.3360 0.3393 0.4565 0.4575 0.7424 0.7425 0.8361 0.8408 1.2731 1.2734 1.4214 1.4235 1.9180 1.9182 2.2023 2.2054 2.5080 2.5117 11.0079 11.0106 11.5945 11.5967 12.1197 12.1210 12.5162 12.5178 13.1053 13.1056 k = 0.4015 0.4593-0.0000 ( 4156 PWs) bands (ev): -16.3278 -16.3274 -16.0206 -16.0198 -15.3568 -15.3558 -14.7940 -14.7938 -14.7562 -14.7559 -14.7387 -14.7384 -5.8938 -5.8929 -4.5674 -4.5652 -3.7380 -3.7364 -2.8331 -2.8315 -2.7673 -2.7664 -2.0038 -2.0033 -0.4931 -0.4864 -0.3881 -0.3825 -0.2840 -0.2809 0.3500 0.3529 0.4601 0.4611 0.7259 0.7259 0.8390 0.8435 1.2636 1.2642 1.4106 1.4128 1.9370 1.9371 2.1941 2.1969 2.5104 2.5140 11.0443 11.0472 11.6003 11.6027 12.0975 12.0989 12.5576 12.5593 13.1038 13.1043 k = 0.3939 0.4724-0.0000 ( 4164 PWs) bands (ev): -16.3140 -16.3136 -16.0337 -16.0329 -15.3591 -15.3582 -14.7938 -14.7936 -14.7556 -14.7553 -14.7394 -14.7391 -5.8976 -5.8968 -4.5283 -4.5261 -3.7837 -3.7821 -2.8276 -2.8259 -2.7632 -2.7623 -1.9968 -1.9963 -0.4849 -0.4777 -0.3890 -0.3831 -0.2960 -0.2930 0.3646 0.3670 0.4638 0.4647 0.7092 0.7093 0.8400 0.8441 1.2568 1.2579 1.3992 1.4016 1.9557 1.9558 2.1852 2.1878 2.5128 2.5160 11.0828 11.0858 11.6043 11.6069 12.0745 12.0760 12.6015 12.6032 13.0985 13.0994 k = 0.3864 0.4855-0.0000 ( 4168 PWs) bands (ev): -16.2992 -16.2988 -16.0478 -16.0470 -15.3612 -15.3603 -14.7936 -14.7934 -14.7549 -14.7546 -14.7401 -14.7399 -5.9012 -5.9004 -4.4876 -4.4853 -3.8301 -3.8284 -2.8218 -2.8200 -2.7608 -2.7597 -1.9899 -1.9894 -0.4767 -0.4692 -0.3904 -0.3843 -0.3071 -0.3043 0.3797 0.3816 0.4675 0.4682 0.6927 0.6930 0.8388 0.8425 1.2530 1.2544 1.3874 1.3900 1.9741 1.9741 2.1758 2.1781 2.5150 2.5179 11.1233 11.1263 11.6056 11.6084 12.0513 12.0528 12.6476 12.6492 13.0916 13.0917 k = 0.3788 0.4986-0.0000 ( 4164 PWs) bands (ev): -16.2836 -16.2831 -16.0629 -16.0621 -15.3630 -15.3622 -14.7935 -14.7933 -14.7542 -14.7539 -14.7409 -14.7407 -5.9043 -5.9036 -4.4452 -4.4429 -3.8771 -3.8754 -2.8158 -2.8140 -2.7598 -2.7587 -1.9834 -1.9829 -0.4686 -0.4607 -0.3924 -0.3860 -0.3170 -0.3145 0.3951 0.3965 0.4708 0.4715 0.6770 0.6774 0.8356 0.8388 1.2522 1.2541 1.3753 1.3780 1.9921 1.9922 2.1658 2.1677 2.5170 2.5196 11.1656 11.1687 11.6031 11.6061 12.0287 12.0303 12.6954 12.6967 13.0835 13.0837 k = 0.3712 0.5117-0.0000 ( 4180 PWs) bands (ev): -16.2671 -16.2666 -16.0790 -16.0782 -15.3645 -15.3639 -14.7933 -14.7931 -14.7534 -14.7531 -14.7418 -14.7417 -5.9070 -5.9064 -4.4014 -4.3992 -3.9246 -3.9228 -2.8097 -2.8078 -2.7603 -2.7590 -1.9774 -1.9770 -0.4607 -0.4524 -0.3952 -0.3886 -0.3256 -0.3235 0.4105 0.4113 0.4737 0.4742 0.6624 0.6630 0.8307 0.8333 1.2543 1.2566 1.3629 1.3658 2.0097 2.0098 2.1552 2.1566 2.5188 2.5210 11.2095 11.2125 11.5955 11.5986 12.0080 12.0095 12.7439 12.7450 13.0747 13.0751 k = 0.3636 0.5249-0.0000 ( 4180 PWs) bands (ev): -16.2497 -16.2492 -16.0960 -16.0952 -15.3658 -15.3652 -14.7932 -14.7931 -14.7525 -14.7522 -14.7428 -14.7428 -5.9093 -5.9088 -4.3563 -4.3541 -3.9724 -3.9706 -2.8036 -2.8016 -2.7621 -2.7607 -1.9721 -1.9718 -0.4529 -0.4444 -0.3986 -0.3919 -0.3328 -0.3310 0.4255 0.4258 0.4757 0.4762 0.6495 0.6502 0.8246 0.8267 1.2591 1.2619 1.3503 1.3534 2.0268 2.0269 2.1439 2.1449 2.5204 2.5222 11.2548 11.2578 11.5814 11.5846 11.9903 11.9917 12.7921 12.7928 13.0657 13.0664 k = 0.3561 0.5380-0.0000 ( 4186 PWs) bands (ev): -16.2316 -16.2311 -16.1139 -16.1132 -15.3667 -15.3663 -14.7931 -14.7930 -14.7515 -14.7513 -14.7439 -14.7437 -5.9111 -5.9107 -4.3102 -4.3080 -4.0206 -4.0187 -2.7974 -2.7954 -2.7650 -2.7635 -1.9677 -1.9675 -0.4454 -0.4366 -0.4028 -0.3960 -0.3385 -0.3372 0.4393 0.4396 0.4765 0.4769 0.6389 0.6395 0.8182 0.8197 1.2663 1.2695 1.3375 1.3408 2.0434 2.0436 2.1319 2.1325 2.5217 2.5230 11.3014 11.3044 11.5599 11.5629 11.9765 11.9777 12.8375 12.8378 13.0578 13.0587 k = 0.3485 0.5511-0.0000 ( 4190 PWs) bands (ev): -16.2127 -16.2121 -16.1327 -16.1320 -15.3673 -15.3671 -14.7930 -14.7930 -14.7506 -14.7504 -14.7450 -14.7447 -5.9123 -5.9121 -4.2631 -4.2609 -4.0690 -4.0671 -2.7913 -2.7892 -2.7689 -2.7672 -1.9644 -1.9642 -0.4381 -0.4290 -0.4077 -0.4010 -0.3426 -0.3417 0.4512 0.4522 0.4757 0.4762 0.6310 0.6316 0.8124 0.8133 1.2754 1.2790 1.3247 1.3281 2.0594 2.0596 2.1193 2.1194 2.5227 2.5236 11.3490 11.3519 11.5301 11.5331 11.9672 11.9680 12.8761 12.8763 13.0540 13.0549 k = 0.3409 0.5642-0.0000 ( 4198 PWs) bands (ev): -16.1930 -16.1924 -16.1523 -16.1517 -15.3677 -15.3675 -14.7930 -14.7930 -14.7497 -14.7496 -14.7460 -14.7456 -5.9131 -5.9130 -4.2152 -4.2131 -4.1176 -4.1157 -2.7853 -2.7832 -2.7737 -2.7718 -1.9623 -1.9622 -0.4315 -0.4217 -0.4130 -0.4067 -0.3450 -0.3445 0.4607 0.4624 0.4733 0.4738 0.6264 0.6267 0.8082 0.8086 1.2861 1.2902 1.3120 1.3154 2.0747 2.0748 2.1058 2.1063 2.5234 2.5239 11.3974 11.4002 11.4923 11.4950 11.9622 11.9626 12.9016 12.9020 13.0591 13.0596 k = 0.3333 0.5774-0.0000 ( 4206 PWs) bands (ev): -16.1733 -16.1721 -16.1720 -16.1720 -15.3677 -15.3677 -14.7930 -14.7930 -14.7492 -14.7492 -14.7465 -14.7460 -5.9133 -5.9133 -4.1694 -4.1656 -4.1635 -4.1635 -2.7806 -2.7781 -2.7781 -2.7765 -1.9615 -1.9615 -0.4278 -0.4164 -0.4164 -0.4115 -0.3457 -0.3457 0.4653 0.4683 0.4708 0.4708 0.6250 0.6250 0.8067 0.8067 1.2955 1.3018 1.3018 1.3034 2.0856 2.0856 2.0953 2.0964 2.5238 2.5238 11.4431 11.4482 11.4502 11.4502 11.9608 11.9608 12.9101 12.9101 13.0753 13.0760 k = 0.3333 0.5774-0.0000 ( 4206 PWs) bands (ev): -16.1733 -16.1721 -16.1720 -16.1720 -15.3677 -15.3677 -14.7930 -14.7930 -14.7492 -14.7492 -14.7465 -14.7460 -5.9133 -5.9133 -4.1694 -4.1656 -4.1635 -4.1635 -2.7806 -2.7781 -2.7781 -2.7765 -1.9615 -1.9615 -0.4278 -0.4164 -0.4164 -0.4115 -0.3457 -0.3457 0.4653 0.4683 0.4708 0.4708 0.6250 0.6250 0.8067 0.8067 1.2955 1.3018 1.3018 1.3034 2.0856 2.0856 2.0953 2.0964 2.5238 2.5238 11.4431 11.4482 11.4502 11.4502 11.9608 11.9608 12.9101 12.9101 13.0757 13.0762 k = 0.3256 0.5639-0.0000 ( 4190 PWs) bands (ev): -16.1942 -16.1936 -16.1511 -16.1505 -15.3677 -15.3675 -14.7930 -14.7930 -14.7498 -14.7496 -14.7459 -14.7455 -5.9131 -5.9129 -4.2166 -4.2146 -4.1161 -4.1143 -2.7857 -2.7834 -2.7734 -2.7714 -1.9624 -1.9622 -0.4320 -0.4222 -0.4127 -0.4061 -0.3449 -0.3445 0.4613 0.4637 0.4716 0.4731 0.6263 0.6267 0.8086 0.8089 1.2851 1.2896 1.3124 1.3163 2.0739 2.0748 2.1061 2.1068 2.5234 2.5239 11.3928 11.3952 11.4974 11.4996 11.9619 11.9624 12.9033 12.9039 13.0512 13.0521 k = 0.3178 0.5505-0.0000 ( 4182 PWs) bands (ev): -16.2164 -16.2158 -16.1289 -16.1283 -15.3674 -15.3671 -14.7930 -14.7929 -14.7509 -14.7504 -14.7448 -14.7445 -5.9123 -5.9120 -4.2667 -4.2647 -4.0654 -4.0637 -2.7924 -2.7900 -2.7681 -2.7660 -1.9648 -1.9646 -0.4401 -0.4307 -0.4062 -0.3988 -0.3420 -0.3413 0.4544 0.4572 0.4698 0.4717 0.6303 0.6313 0.8151 0.8157 1.2723 1.2768 1.3264 1.3307 2.0577 2.0591 2.1199 2.1207 2.5226 2.5235 11.3328 11.3350 11.5481 11.5502 11.9650 11.9659 12.8877 12.8888 13.0225 13.0234 k = 0.3101 0.5371-0.0000 ( 4178 PWs) bands (ev): -16.2391 -16.2386 -16.1062 -16.1055 -15.3669 -15.3664 -14.7931 -14.7929 -14.7520 -14.7515 -14.7435 -14.7432 -5.9109 -5.9105 -4.3168 -4.3148 -4.0145 -4.0129 -2.7996 -2.7970 -2.7630 -2.7609 -1.9690 -1.9687 -0.4495 -0.4402 -0.3994 -0.3917 -0.3368 -0.3359 0.4469 0.4500 0.4637 0.4659 0.6366 0.6381 0.8262 0.8270 1.2595 1.2641 1.3411 1.3455 2.0405 2.0423 2.1334 2.1343 2.5215 2.5228 11.2674 11.2693 11.5988 11.6006 11.9691 11.9705 12.8677 12.8692 12.9902 12.9912 k = 0.3023 0.5236-0.0000 ( 4172 PWs) bands (ev): -16.2623 -16.2618 -16.0828 -16.0821 -15.3662 -15.3656 -14.7931 -14.7929 -14.7532 -14.7525 -14.7420 -14.7419 -5.9090 -5.9085 -4.3669 -4.3650 -3.9634 -3.9619 -2.8070 -2.8042 -2.7583 -2.7562 -1.9750 -1.9745 -0.4598 -0.4504 -0.3929 -0.3849 -0.3291 -0.3280 0.4391 0.4428 0.4536 0.4560 0.6447 0.6468 0.8419 0.8427 1.2468 1.2516 1.3561 1.3607 2.0225 2.0247 2.1464 2.1474 2.5199 2.5216 11.1972 11.1989 11.6489 11.6504 11.9737 11.9755 12.8456 12.8474 12.9556 12.9564 k = 0.2946 0.5102-0.0000 ( 4176 PWs) bands (ev): -16.2859 -16.2855 -16.0590 -16.0582 -15.3654 -15.3646 -14.7932 -14.7929 -14.7544 -14.7535 -14.7405 -14.7404 -5.9066 -5.9059 -4.4170 -4.4151 -3.9123 -3.9109 -2.8146 -2.8117 -2.7541 -2.7520 -1.9828 -1.9822 -0.4707 -0.4611 -0.3869 -0.3787 -0.3185 -0.3172 0.4316 0.4355 0.4402 0.4429 0.6544 0.6570 0.8613 0.8621 1.2344 1.2394 1.3713 1.3760 2.0037 2.0063 2.1588 2.1599 2.5178 2.5200 11.1229 11.1244 11.6982 11.6994 11.9779 11.9802 12.8228 12.8247 12.9195 12.9201 k = 0.2868 0.4968-0.0000 ( 4172 PWs) bands (ev): -16.3099 -16.3095 -16.0346 -16.0338 -15.3645 -15.3636 -14.7932 -14.7928 -14.7554 -14.7544 -14.7389 -14.7389 -5.9036 -5.9028 -4.4670 -4.4651 -3.8614 -3.8601 -2.8223 -2.8192 -2.7504 -2.7484 -1.9924 -1.9916 -0.4820 -0.4723 -0.3816 -0.3733 -0.3050 -0.3036 0.4233 0.4249 0.4254 0.4308 0.6652 0.6683 0.8837 0.8846 1.2222 1.2274 1.3865 1.3913 1.9843 1.9872 2.1705 2.1719 2.5154 2.5178 11.0451 11.0465 11.7463 11.7471 11.9813 11.9841 12.8002 12.8022 12.8829 12.8832 k = 0.2791 0.4834-0.0000 ( 4164 PWs) bands (ev): -16.3342 -16.3338 -16.0099 -16.0091 -15.3636 -15.3624 -14.7931 -14.7927 -14.7563 -14.7551 -14.7374 -14.7373 -5.9001 -5.8992 -4.5169 -4.5150 -3.8107 -3.8094 -2.8300 -2.8267 -2.7473 -2.7453 -2.0039 -2.0029 -0.4936 -0.4837 -0.3769 -0.3685 -0.2886 -0.2872 0.4058 0.4075 0.4184 0.4242 0.6771 0.6807 0.9086 0.9095 1.2104 1.2158 1.4017 1.4066 1.9642 1.9674 2.1817 2.1832 2.5124 2.5152 10.9641 10.9654 11.7926 11.7929 11.9836 11.9869 12.7785 12.7806 12.8463 12.8464 k = 0.2713 0.4699-0.0000 ( 4160 PWs) bands (ev): -16.3586 -16.3582 -15.9848 -15.9840 -15.3626 -15.3613 -14.7931 -14.7926 -14.7571 -14.7558 -14.7358 -14.7357 -5.8961 -5.8951 -4.5666 -4.5647 -3.7603 -3.7592 -2.8376 -2.8342 -2.7448 -2.7428 -2.0170 -2.0159 -0.5053 -0.4953 -0.3728 -0.3643 -0.2696 -0.2681 0.3865 0.3882 0.4125 0.4188 0.6897 0.6939 0.9352 0.9362 1.1989 1.2045 1.4168 1.4218 1.9435 1.9469 2.1923 2.1940 2.5090 2.5121 10.8806 10.8817 11.8365 11.8367 11.9843 11.9881 12.7583 12.7604 12.8102 12.8105 k = 0.2636 0.4565-0.0000 ( 4164 PWs) bands (ev): -16.3831 -16.3828 -15.9595 -15.9586 -15.3616 -15.3602 -14.7930 -14.7924 -14.7577 -14.7563 -14.7342 -14.7341 -5.8917 -5.8905 -4.6161 -4.6142 -3.7104 -3.7094 -2.8451 -2.8415 -2.7429 -2.7409 -2.0319 -2.0306 -0.5169 -0.5068 -0.3691 -0.3606 -0.2483 -0.2466 0.3664 0.3681 0.4073 0.4141 0.7030 0.7077 0.9631 0.9642 1.1878 1.1936 1.4318 1.4368 1.9222 1.9260 2.2023 2.2041 2.5050 2.5084 10.7948 10.7958 11.8770 11.8778 11.9833 11.9876 12.7402 12.7421 12.7751 12.7759 k = 0.2558 0.4431-0.0000 ( 4160 PWs) bands (ev): -16.4077 -16.4074 -15.9339 -15.9330 -15.3606 -15.3591 -14.7928 -14.7922 -14.7581 -14.7566 -14.7326 -14.7324 -5.8868 -5.8855 -4.6653 -4.6635 -3.6610 -3.6601 -2.8524 -2.8486 -2.7416 -2.7396 -2.0484 -2.0469 -0.5283 -0.5180 -0.3656 -0.3572 -0.2248 -0.2229 0.3463 0.3479 0.4027 0.4099 0.7169 0.7220 0.9917 0.9929 1.1771 1.1831 1.4465 1.4516 1.9006 1.9045 2.2117 2.2137 2.5005 2.5042 10.7070 10.7079 11.9140 11.9154 11.9804 11.9852 12.7246 12.7263 12.7415 12.7428 k = 0.2481 0.4297-0.0000 ( 4152 PWs) bands (ev): -16.4323 -16.4320 -15.9081 -15.9072 -15.3597 -15.3581 -14.7925 -14.7919 -14.7584 -14.7567 -14.7310 -14.7307 -5.8815 -5.8800 -4.7143 -4.7125 -3.6123 -3.6115 -2.8595 -2.8554 -2.7409 -2.7390 -2.0665 -2.0647 -0.5392 -0.5288 -0.3625 -0.3541 -0.1995 -0.1975 0.3265 0.3281 0.3985 0.4062 0.7312 0.7368 1.0208 1.0222 1.1668 1.1730 1.4611 1.4663 1.8785 1.8826 2.2204 2.2227 2.4955 2.4994 10.6177 10.6185 11.9466 11.9487 11.9756 11.9810 12.7084 12.7102 12.7130 12.7142 k = 0.2403 0.4162-0.0000 ( 4142 PWs) bands (ev): -16.4567 -16.4565 -15.8823 -15.8813 -15.3589 -15.3572 -14.7922 -14.7915 -14.7584 -14.7566 -14.7293 -14.7291 -5.8757 -5.8742 -4.7629 -4.7611 -3.5643 -3.5637 -2.8662 -2.8620 -2.7408 -2.7390 -2.0859 -2.0840 -0.5496 -0.5390 -0.3596 -0.3513 -0.1730 -0.1708 0.3078 0.3094 0.3947 0.4028 0.7459 0.7519 1.0500 1.0515 1.1570 1.1633 1.4755 1.4807 1.8561 1.8605 2.2286 2.2310 2.4899 2.4940 10.5270 10.5278 11.9675 11.9708 11.9785 11.9787 12.6790 12.6813 12.7026 12.7033 k = 0.2326 0.4028-0.0000 ( 4138 PWs) bands (ev): -16.4810 -16.4808 -15.8564 -15.8554 -15.3582 -15.3564 -14.7917 -14.7910 -14.7582 -14.7563 -14.7277 -14.7274 -5.8697 -5.8681 -4.8111 -4.8094 -3.5171 -3.5166 -2.8726 -2.8683 -2.7414 -2.7396 -2.1067 -2.1045 -0.5593 -0.5486 -0.3569 -0.3487 -0.1459 -0.1435 0.2908 0.2925 0.3912 0.3996 0.7608 0.7673 1.0790 1.0808 1.1476 1.1542 1.4897 1.4950 1.8336 1.8381 2.2361 2.2387 2.4837 2.4880 10.4354 10.4361 11.9596 11.9657 11.9983 12.0015 12.6507 12.6535 12.6956 12.6958 k = 0.2248 0.3894-0.0000 ( 4138 PWs) bands (ev): -16.5051 -16.5049 -15.8305 -15.8296 -15.3577 -15.3558 -14.7912 -14.7904 -14.7577 -14.7558 -14.7261 -14.7258 -5.8633 -5.8616 -4.8588 -4.8572 -3.4708 -3.4704 -2.8787 -2.8742 -2.7425 -2.7408 -2.1287 -2.1262 -0.5681 -0.5574 -0.3543 -0.3463 -0.1192 -0.1165 0.2765 0.2783 0.3877 0.3965 0.7759 0.7829 1.1076 1.1096 1.1387 1.1455 1.5038 1.5092 1.8110 1.8156 2.2431 2.2459 2.4769 2.4813 10.3431 10.3436 11.9495 11.9561 12.0155 12.0195 12.6242 12.6275 12.6905 12.6912 k = 0.2171 0.3759-0.0000 ( 4134 PWs) bands (ev): -16.5289 -16.5287 -15.8048 -15.8038 -15.3573 -15.3553 -14.7905 -14.7896 -14.7571 -14.7550 -14.7246 -14.7241 -5.8566 -5.8548 -4.9060 -4.9045 -3.4255 -3.4252 -2.8844 -2.8797 -2.7442 -2.7425 -2.1516 -2.1490 -0.5759 -0.5651 -0.3520 -0.3442 -0.0939 -0.0910 0.2661 0.2680 0.3842 0.3933 0.7912 0.7985 1.1298 1.1349 1.1381 1.1384 1.5177 1.5232 1.7885 1.7931 2.2494 2.2524 2.4695 2.4741 10.2503 10.2508 11.9381 11.9452 12.0273 12.0321 12.5993 12.6031 12.6868 12.6883 k = 0.2093 0.3625-0.0000 ( 4138 PWs) bands (ev): -16.5523 -16.5522 -15.7792 -15.7782 -15.3571 -15.3550 -14.7897 -14.7888 -14.7561 -14.7541 -14.7230 -14.7225 -5.8497 -5.8478 -4.9527 -4.9512 -3.3811 -3.3810 -2.8896 -2.8848 -2.7464 -2.7448 -2.1755 -2.1726 -0.5828 -0.5719 -0.3499 -0.3424 -0.0717 -0.0685 0.2611 0.2631 0.3805 0.3899 0.8064 0.8142 1.1221 1.1294 1.1631 1.1658 1.5316 1.5371 1.7661 1.7708 2.2550 2.2582 2.4616 2.4663 10.1573 10.1578 11.9257 11.9332 12.0341 12.0396 12.5761 12.5803 12.6835 12.6859 k = 0.2016 0.3491-0.0000 ( 4142 PWs) bands (ev): -16.5753 -16.5752 -15.7539 -15.7529 -15.3570 -15.3549 -14.7888 -14.7878 -14.7550 -14.7529 -14.7215 -14.7210 -5.8425 -5.8406 -4.9987 -4.9972 -3.3379 -3.3378 -2.8944 -2.8894 -2.7491 -2.7475 -2.2001 -2.1970 -0.5884 -0.5776 -0.3481 -0.3408 -0.0543 -0.0509 0.2632 0.2652 0.3765 0.3861 0.8216 0.8298 1.1146 1.1222 1.1896 1.1925 1.5454 1.5510 1.7440 1.7488 2.2600 2.2634 2.4531 2.4579 10.0644 10.0648 11.9128 11.9206 12.0365 12.0425 12.5542 12.5589 12.6795 12.6828 k = 0.1938 0.3357-0.0000 ( 4146 PWs) bands (ev): -16.5979 -16.5978 -15.7289 -15.7279 -15.3571 -15.3549 -14.7877 -14.7866 -14.7536 -14.7515 -14.7200 -14.7194 -5.8352 -5.8332 -5.0440 -5.0426 -3.2958 -3.2958 -2.8988 -2.8936 -2.7521 -2.7507 -2.2252 -2.2219 -0.5929 -0.5820 -0.3465 -0.3395 -0.0429 -0.0394 0.2736 0.2755 0.3721 0.3819 0.8367 0.8453 1.1076 1.1154 1.2150 1.2183 1.5591 1.5649 1.7224 1.7272 2.2644 2.2679 2.4440 2.4488 9.9719 9.9723 11.8997 11.9078 12.0349 12.0416 12.5336 12.5386 12.6740 12.6782 k = 0.1860 0.3222-0.0000 ( 4146 PWs) bands (ev): -16.6200 -16.6199 -15.7043 -15.7033 -15.3574 -15.3552 -14.7865 -14.7853 -14.7520 -14.7499 -14.7186 -14.7180 -5.8277 -5.8257 -5.0885 -5.0872 -3.2550 -3.2549 -2.9027 -2.8974 -2.7555 -2.7542 -2.2508 -2.2473 -0.5961 -0.5852 -0.3453 -0.3386 -0.0380 -0.0345 0.2926 0.2944 0.3671 0.3770 0.8517 0.8606 1.1011 1.1092 1.2393 1.2430 1.5729 1.5788 1.7013 1.7062 2.2680 2.2717 2.4344 2.4393 9.8800 9.8803 11.8868 11.8952 12.0303 12.0374 12.5140 12.5193 12.6661 12.6712 k = 0.1783 0.3088-0.0000 ( 4150 PWs) bands (ev): -16.6416 -16.6415 -15.6802 -15.6792 -15.3578 -15.3556 -14.7851 -14.7839 -14.7502 -14.7481 -14.7172 -14.7165 -5.8201 -5.8181 -5.1322 -5.1309 -3.2155 -3.2152 -2.9061 -2.9007 -2.7592 -2.7579 -2.2767 -2.2730 -0.5981 -0.5871 -0.3444 -0.3380 -0.0390 -0.0355 0.3192 0.3210 0.3615 0.3714 0.8663 0.8757 1.0951 1.1035 1.2626 1.2666 1.5866 1.5928 1.6811 1.6859 2.2710 2.2748 2.4242 2.4291 9.7889 9.7892 11.8745 11.8830 12.0232 12.0306 12.4953 12.5009 12.6557 12.6615 k = 0.1705 0.2954-0.0000 ( 4140 PWs) bands (ev): -16.6625 -16.6624 -15.6566 -15.6556 -15.3584 -15.3562 -14.7835 -14.7822 -14.7483 -14.7461 -14.7159 -14.7151 -5.8124 -5.8104 -5.1749 -5.1737 -3.1773 -3.1769 -2.9090 -2.9035 -2.7631 -2.7619 -2.3028 -2.2988 -0.5986 -0.5877 -0.3439 -0.3379 -0.0444 -0.0410 0.3495 0.3535 0.3577 0.3652 0.8807 0.8904 1.0896 1.0982 1.2846 1.2890 1.6004 1.6067 1.6617 1.6664 2.2732 2.2771 2.4136 2.4185 9.6990 9.6992 11.8630 11.8716 12.0143 12.0221 12.4775 12.4832 12.6426 12.6491 k = 0.1628 0.2820-0.0000 ( 4150 PWs) bands (ev): -16.6828 -16.6827 -15.6336 -15.6326 -15.3592 -15.3570 -14.7818 -14.7804 -14.7461 -14.7439 -14.7146 -14.7138 -5.8048 -5.8027 -5.2166 -5.2154 -3.1405 -3.1400 -2.9115 -2.9058 -2.7671 -2.7660 -2.3289 -2.3247 -0.5979 -0.5870 -0.3439 -0.3383 -0.0528 -0.0496 0.3466 0.3572 0.3908 0.3915 0.8946 0.9047 1.0845 1.0934 1.3055 1.3102 1.6138 1.6207 1.6437 1.6479 2.2747 2.2787 2.4025 2.4074 9.6104 9.6106 11.8525 11.8613 12.0041 12.0121 12.4604 12.4663 12.6272 12.6341 k = 0.1550 0.2685-0.0000 ( 4150 PWs) bands (ev): -16.7024 -16.7024 -15.6113 -15.6103 -15.3600 -15.3579 -14.7798 -14.7785 -14.7438 -14.7417 -14.7134 -14.7126 -5.7971 -5.7951 -5.2571 -5.2561 -3.1052 -3.1045 -2.9134 -2.9077 -2.7710 -2.7701 -2.3548 -2.3504 -0.5958 -0.5849 -0.3444 -0.3392 -0.0632 -0.0600 0.3383 0.3488 0.4315 0.4322 0.9082 0.9186 1.0799 1.0892 1.3251 1.3302 1.6213 1.6295 1.6329 1.6358 2.2755 2.2796 2.3910 2.3959 9.5234 9.5236 11.8434 11.8522 11.9931 12.0013 12.4439 12.4500 12.6097 12.6171 k = 0.1473 0.2551-0.0000 ( 4144 PWs) bands (ev): -16.7213 -16.7213 -15.5898 -15.5888 -15.3610 -15.3589 -14.7777 -14.7763 -14.7414 -14.7393 -14.7122 -14.7114 -5.7895 -5.7875 -5.2965 -5.2955 -3.0716 -3.0707 -2.9149 -2.9091 -2.7749 -2.7741 -2.3805 -2.3759 -0.5923 -0.5815 -0.3454 -0.3406 -0.0745 -0.0714 0.3287 0.3392 0.4746 0.4750 0.9212 0.9320 1.0758 1.0853 1.3437 1.3490 1.6082 1.6140 1.6439 1.6492 2.2756 2.2797 2.3792 2.3840 9.4383 9.4385 11.8357 11.8445 11.9817 11.9900 12.4282 12.4344 12.5906 12.5983 k = 0.1395 0.2417-0.0000 ( 4150 PWs) bands (ev): -16.7395 -16.7394 -15.5691 -15.5681 -15.3622 -15.3601 -14.7755 -14.7740 -14.7389 -14.7369 -14.7112 -14.7103 -5.7820 -5.7800 -5.3346 -5.3336 -3.0396 -3.0386 -2.9159 -2.9100 -2.7785 -2.7778 -2.4059 -2.4011 -0.5875 -0.5768 -0.3470 -0.3427 -0.0862 -0.0831 0.3180 0.3284 0.5189 0.5192 0.9337 0.9448 1.0720 1.0820 1.3611 1.3667 1.5936 1.5991 1.6576 1.6633 2.2749 2.2791 2.3671 2.3718 9.3554 9.3555 11.8296 11.8383 11.9701 11.9784 12.4133 12.4195 12.5703 12.5782 k = 0.1318 0.2283-0.0000 ( 4154 PWs) bands (ev): -16.7568 -16.7568 -15.5492 -15.5483 -15.3633 -15.3614 -14.7731 -14.7716 -14.7363 -14.7344 -14.7102 -14.7092 -5.7747 -5.7727 -5.3713 -5.3704 -3.0097 -3.0084 -2.9163 -2.9104 -2.7816 -2.7811 -2.4308 -2.4259 -0.5814 -0.5709 -0.3492 -0.3453 -0.0978 -0.0947 0.3061 0.3165 0.5638 0.5640 0.9455 0.9571 1.0687 1.0790 1.3774 1.3832 1.5803 1.5855 1.6716 1.6773 2.2734 2.2776 2.3548 2.3594 9.2749 9.2750 11.8250 11.8336 11.9586 11.9670 12.3991 12.4053 12.5493 12.5572 k = 0.1240 0.2148-0.0000 ( 4152 PWs) bands (ev): -16.7733 -16.7733 -15.5303 -15.5294 -15.3646 -15.3627 -14.7705 -14.7689 -14.7337 -14.7318 -14.7093 -14.7083 -5.7675 -5.7656 -5.4065 -5.4057 -2.9819 -2.9804 -2.9163 -2.9104 -2.7840 -2.7838 -2.4552 -2.4501 -0.5741 -0.5637 -0.3520 -0.3485 -0.1089 -0.1058 0.2931 0.3034 0.6088 0.6088 0.9568 0.9687 1.0659 1.0765 1.3927 1.3986 1.5682 1.5733 1.6856 1.6913 2.2713 2.2754 2.3423 2.3468 9.1971 9.1972 11.8219 11.8304 11.9474 11.9558 12.3857 12.3919 12.5277 12.5356 k = 0.1163 0.2014-0.0000 ( 4154 PWs) bands (ev): -16.7890 -16.7890 -15.5124 -15.5115 -15.3659 -15.3641 -14.7678 -14.7662 -14.7311 -14.7293 -14.7085 -14.7074 -5.7605 -5.7587 -5.4402 -5.4394 -2.9567 -2.9548 -2.9157 -2.9099 -2.7854 -2.7854 -2.4789 -2.4737 -0.5656 -0.5554 -0.3554 -0.3523 -0.1193 -0.1163 0.2790 0.2892 0.6532 0.6532 0.9673 0.9795 1.0633 1.0744 1.4070 1.4131 1.5576 1.5625 1.6995 1.7051 2.2684 2.2725 2.3298 2.3341 9.1222 9.1222 11.8204 11.8287 11.9367 11.9449 12.3733 12.3794 12.5061 12.5139 k = 0.1085 0.1880-0.0000 ( 4146 PWs) bands (ev): -16.8038 -16.8038 -15.4955 -15.4946 -15.3672 -15.3655 -14.7650 -14.7634 -14.7285 -14.7267 -14.7078 -14.7067 -5.7538 -5.7520 -5.4722 -5.4715 -2.9347 -2.9321 -2.9143 -2.9090 -2.7856 -2.7853 -2.5018 -2.4966 -0.5560 -0.5459 -0.3593 -0.3566 -0.1290 -0.1260 0.2640 0.2739 0.6966 0.6967 0.9771 0.9897 1.0612 1.0727 1.4205 1.4265 1.5484 1.5532 1.7133 1.7188 2.2649 2.2690 2.3173 2.3215 9.0505 9.0506 11.8202 11.8283 11.9266 11.9347 12.3619 12.3678 12.4846 12.4923 k = 0.1008 0.1745-0.0000 ( 4138 PWs) bands (ev): -16.8177 -16.8177 -15.4796 -15.4788 -15.3686 -15.3669 -14.7620 -14.7604 -14.7260 -14.7243 -14.7071 -14.7060 -5.7473 -5.7456 -5.5024 -5.5018 -2.9187 -2.9130 -2.9099 -2.9076 -2.7838 -2.7832 -2.5239 -2.5186 -0.5454 -0.5355 -0.3636 -0.3613 -0.1378 -0.1348 0.2480 0.2577 0.7388 0.7389 0.9862 0.9991 1.0595 1.0713 1.4330 1.4390 1.5406 1.5452 1.7269 1.7322 2.2608 2.2647 2.3050 2.3090 8.9823 8.9823 11.8213 11.8291 11.9171 11.9250 12.3515 12.3573 12.4636 12.4711 k = 0.0930 0.1611-0.0000 ( 4128 PWs) bands (ev): -16.8306 -16.8306 -15.4648 -15.4640 -15.3699 -15.3684 -14.7591 -14.7574 -14.7235 -14.7219 -14.7066 -14.7054 -5.7412 -5.7396 -5.5308 -5.5302 -2.9135 -2.9061 -2.8983 -2.8975 -2.7795 -2.7787 -2.5451 -2.5397 -0.5339 -0.5243 -0.3684 -0.3664 -0.1457 -0.1428 0.2312 0.2407 0.7792 0.7794 0.9945 1.0077 1.0581 1.0703 1.4447 1.4506 1.5342 1.5386 1.7403 1.7453 2.2562 2.2599 2.2930 2.2967 8.9178 8.9179 11.8234 11.8309 11.9084 11.9160 12.3423 12.3480 12.4432 12.4505 k = 0.0853 0.1477-0.0000 ( 4128 PWs) bands (ev): -16.8426 -16.8426 -15.4512 -15.4504 -15.3712 -15.3698 -14.7561 -14.7544 -14.7211 -14.7196 -14.7062 -14.7050 -5.7354 -5.7339 -5.5573 -5.5568 -2.9108 -2.9040 -2.8878 -2.8864 -2.7725 -2.7715 -2.5653 -2.5599 -0.5217 -0.5124 -0.3733 -0.3716 -0.1527 -0.1499 0.2139 0.2231 0.8176 0.8179 1.0021 1.0154 1.0572 1.0696 1.4556 1.4613 1.5290 1.5332 1.7533 1.7581 2.2510 2.2545 2.2814 2.2847 8.8574 8.8574 11.8264 11.8335 11.9005 11.9077 12.3344 12.3397 12.4237 12.4306 k = 0.0775 0.1343-0.0000 ( 4114 PWs) bands (ev): -16.8536 -16.8536 -15.4387 -15.4380 -15.3724 -15.3711 -14.7530 -14.7514 -14.7188 -14.7174 -14.7058 -14.7046 -5.7300 -5.7286 -5.5818 -5.5813 -2.9081 -2.9016 -2.8807 -2.8792 -2.7631 -2.7622 -2.5843 -2.5790 -0.5089 -0.4999 -0.3784 -0.3770 -0.1589 -0.1562 0.1962 0.2051 0.8537 0.8540 1.0089 1.0222 1.0567 1.0692 1.4657 1.4711 1.5250 1.5289 1.7658 1.7703 2.2455 2.2487 2.2703 2.2733 8.8012 8.8012 11.8300 11.8366 11.8934 11.9002 12.3276 12.3327 12.4053 12.4119 k = 0.0698 0.1208-0.0000 ( 4118 PWs) bands (ev): -16.8636 -16.8636 -15.4274 -15.4267 -15.3736 -15.3724 -14.7501 -14.7485 -14.7167 -14.7154 -14.7056 -14.7044 -5.7251 -5.7238 -5.6042 -5.6038 -2.9051 -2.8989 -2.8764 -2.8750 -2.7523 -2.7513 -2.6022 -2.5970 -0.4957 -0.4871 -0.3835 -0.3823 -0.1642 -0.1617 0.1785 0.1870 0.8870 0.8875 1.0150 1.0279 1.0567 1.0691 1.4750 1.4801 1.5220 1.5256 1.7779 1.7820 2.2398 2.2425 2.2599 2.2625 8.7495 8.7495 11.8340 11.8400 11.8872 11.8935 12.3221 12.3268 12.3882 12.3942 k = 0.0620 0.1074-0.0000 ( 4113 PWs) bands (ev): -16.8727 -16.8726 -15.4172 -15.4166 -15.3747 -15.3736 -14.7472 -14.7457 -14.7147 -14.7136 -14.7054 -14.7042 -5.7205 -5.7194 -5.6244 -5.6241 -2.9020 -2.8960 -2.8742 -2.8729 -2.7408 -2.7399 -2.6187 -2.6137 -0.4823 -0.4742 -0.3884 -0.3875 -0.1688 -0.1665 0.1610 0.1690 0.9175 0.9180 1.0204 1.0326 1.0573 1.0692 1.4835 1.4882 1.5199 1.5232 1.7893 1.7930 2.2338 2.2361 2.2504 2.2525 8.7025 8.7025 11.8381 11.8435 11.8819 11.8876 12.3178 12.3221 12.3724 12.3780 k = 0.0543 0.0940-0.0000 ( 4109 PWs) bands (ev): -16.8806 -16.8806 -15.4083 -15.4077 -15.3756 -15.3747 -14.7444 -14.7430 -14.7130 -14.7120 -14.7053 -14.7041 -5.7164 -5.7154 -5.6425 -5.6422 -2.8987 -2.8931 -2.8732 -2.8721 -2.7296 -2.7288 -2.6338 -2.6291 -0.4691 -0.4615 -0.3931 -0.3923 -0.1727 -0.1706 0.1440 0.1514 0.9446 0.9453 1.0252 1.0362 1.0586 1.0695 1.4911 1.4953 1.5186 1.5215 1.7999 1.8032 2.2278 2.2295 2.2418 2.2433 8.6604 8.6605 11.8421 11.8468 11.8776 11.8825 12.3146 12.3185 12.3582 12.3632 k = 0.0465 0.0806-0.0000 ( 4105 PWs) bands (ev): -16.8876 -16.8876 -15.4005 -15.4000 -15.3765 -15.3757 -14.7419 -14.7405 -14.7115 -14.7107 -14.7052 -14.7041 -5.7129 -5.7120 -5.6582 -5.6580 -2.8953 -2.8901 -2.8731 -2.8722 -2.7191 -2.7184 -2.6473 -2.6430 -0.4563 -0.4494 -0.3973 -0.3967 -0.1759 -0.1741 0.1281 0.1348 0.9682 0.9691 1.0297 1.0389 1.0605 1.0699 1.4979 1.5016 1.5179 1.5204 1.8097 1.8125 2.2220 2.2231 2.2343 2.2352 8.6236 8.6236 11.8458 11.8496 11.8743 11.8783 12.3124 12.3158 12.3457 12.3501 k = 0.0388 0.0671-0.0000 ( 4111 PWs) bands (ev): -16.8935 -16.8935 -15.3939 -15.3935 -15.3773 -15.3766 -14.7395 -14.7383 -14.7102 -14.7096 -14.7051 -14.7041 -5.7098 -5.7090 -5.6717 -5.6714 -2.8920 -2.8873 -2.8733 -2.8726 -2.7098 -2.7091 -2.6591 -2.6553 -0.4443 -0.4383 -0.4011 -0.4007 -0.1786 -0.1770 0.1135 0.1194 0.9878 0.9891 1.0339 1.0410 1.0626 1.0704 1.5037 1.5068 1.5176 1.5197 1.8183 1.8207 2.2165 2.2172 2.2278 2.2283 8.5920 8.5921 11.8489 11.8517 11.8720 11.8750 12.3110 12.3139 12.3349 12.3387 k = 0.0310 0.0537-0.0000 ( 4121 PWs) bands (ev): -16.8983 -16.8983 -15.3885 -15.3882 -15.3779 -15.3773 -14.7374 -14.7364 -14.7093 -14.7088 -14.7049 -14.7042 -5.7072 -5.7066 -5.6827 -5.6825 -2.8888 -2.8848 -2.8738 -2.8732 -2.7021 -2.7014 -2.6689 -2.6658 -0.4335 -0.4284 -0.4043 -0.4040 -0.1806 -0.1794 0.1008 0.1058 1.0031 1.0049 1.0383 1.0429 1.0649 1.0708 1.5086 1.5111 1.5177 1.5193 1.8258 1.8277 2.2115 2.2119 2.2223 2.2225 8.5660 8.5660 11.8513 11.8530 11.8707 11.8726 12.3103 12.3126 12.3261 12.3291 k = 0.0233 0.0403-0.0000 ( 4125 PWs) bands (ev): -16.9021 -16.9021 -15.3843 -15.3841 -15.3784 -15.3779 -14.7357 -14.7349 -14.7086 -14.7084 -14.7047 -14.7042 -5.7052 -5.7047 -5.6913 -5.6912 -2.8860 -2.8828 -2.8742 -2.8738 -2.6961 -2.6953 -2.6764 -2.6742 -0.4244 -0.4204 -0.4069 -0.4067 -0.1822 -0.1812 0.0905 0.0944 1.0138 1.0160 1.0429 1.0453 1.0671 1.0713 1.5125 1.5142 1.5181 1.5191 1.8318 1.8333 2.2074 2.2075 2.2180 2.2180 8.5456 8.5456 11.8528 11.8536 11.8702 11.8712 12.3100 12.3117 12.3193 12.3215 k = 0.0155 0.0269-0.0000 ( 4135 PWs) bands (ev): -16.9048 -16.9048 -15.3813 -15.3812 -15.3787 -15.3784 -14.7343 -14.7338 -14.7082 -14.7081 -14.7044 -14.7042 -5.7037 -5.7034 -5.6975 -5.6974 -2.8837 -2.8815 -2.8745 -2.8743 -2.6921 -2.6912 -2.6814 -2.6803 -0.4173 -0.4144 -0.4087 -0.4087 -0.1832 -0.1826 0.0829 0.0856 1.0205 1.0226 1.0473 1.0481 1.0690 1.0715 1.5154 1.5162 1.5187 1.5191 1.8363 1.8373 2.2043 2.2043 2.2147 2.2148 8.5310 8.5310 11.8536 11.8538 11.8702 11.8706 12.3100 12.3109 12.3147 12.3160 k = 0.0078 0.0134-0.0000 ( 4137 PWs) bands (ev): -16.9064 -16.9064 -15.3795 -15.3794 -15.3789 -15.3787 -14.7335 -14.7331 -14.7080 -14.7080 -14.7043 -14.7041 -5.7028 -5.7027 -5.7012 -5.7012 -2.8820 -2.8809 -2.8747 -2.8746 -2.6906 -2.6897 -2.6834 -2.6832 -0.4127 -0.4110 -0.4099 -0.4097 -0.1838 -0.1835 0.0785 0.0799 1.0242 1.0254 1.0504 1.0505 1.0704 1.0716 1.5169 1.5171 1.5193 1.5194 1.8392 1.8397 2.2023 2.2023 2.2128 2.2128 8.5222 8.5222 11.8538 11.8539 11.8703 11.8704 12.3099 12.3100 12.3125 12.3128 k = 0.0000 0.0000 0.0000 ( 4145 PWs) bands (ev): -16.9070 -16.9070 -15.3789 -15.3789 -15.3788 -15.3788 -14.7330 -14.7330 -14.7080 -14.7080 -14.7042 -14.7042 -5.7025 -5.7025 -5.7023 -5.7023 -2.8810 -2.8810 -2.8747 -2.8747 -2.6901 -2.6901 -2.6836 -2.6836 -0.4108 -0.4108 -0.4099 -0.4099 -0.1839 -0.1839 0.0775 0.0775 1.0258 1.0258 1.0515 1.0515 1.0713 1.0713 1.5174 1.5174 1.5195 1.5195 1.8403 1.8403 2.2017 2.2017 2.2121 2.2121 8.5192 8.5192 11.8539 11.8539 11.8703 11.8703 12.3096 12.3096 12.3119 12.3119 k = 0.0000 0.0000 0.0000 ( 4145 PWs) bands (ev): -16.9070 -16.9070 -15.3789 -15.3789 -15.3788 -15.3788 -14.7330 -14.7330 -14.7080 -14.7080 -14.7042 -14.7042 -5.7025 -5.7025 -5.7023 -5.7023 -2.8810 -2.8810 -2.8747 -2.8747 -2.6901 -2.6901 -2.6836 -2.6836 -0.4108 -0.4108 -0.4099 -0.4099 -0.1839 -0.1839 0.0775 0.0775 1.0258 1.0258 1.0515 1.0515 1.0713 1.0713 1.5174 1.5174 1.5195 1.5195 1.8403 1.8403 2.2017 2.2017 2.2121 2.2121 8.5192 8.5192 11.8539 11.8539 11.8703 11.8703 12.3096 12.3096 12.3119 12.3119 k = 0.0000 0.0000 0.0151 ( 4145 PWs) bands (ev): -16.9064 -16.9064 -15.4148 -15.4147 -15.3435 -15.3434 -14.7331 -14.7330 -14.7090 -14.7069 -14.7051 -14.7032 -5.7662 -5.7661 -5.6377 -5.6375 -2.8867 -2.8835 -2.8734 -2.8706 -2.7144 -2.7078 -2.6653 -2.6590 -0.4250 -0.4239 -0.3959 -0.3950 -0.1836 -0.1834 0.0782 0.0789 1.0232 1.0274 1.0489 1.0535 1.0695 1.0701 1.4963 1.4982 1.5351 1.5375 1.8408 1.8412 2.1895 2.1998 2.2160 2.2267 8.5221 8.5221 11.8354 11.8525 11.8714 11.8871 12.2899 12.2925 12.3289 12.3309 k = 0.0000 0.0000 0.0303 ( 4139 PWs) bands (ev): -16.9048 -16.9048 -15.4511 -15.4510 -15.3085 -15.3084 -14.7332 -14.7329 -14.7101 -14.7061 -14.7058 -14.7022 -5.8288 -5.8286 -5.5719 -5.5717 -2.8945 -2.8910 -2.8700 -2.8672 -2.7382 -2.7315 -2.6401 -2.6339 -0.4382 -0.4370 -0.3803 -0.3795 -0.1825 -0.1821 0.0808 0.0823 1.0197 1.0280 1.0456 1.0549 1.0647 1.0660 1.4722 1.4739 1.5490 1.5517 1.8428 1.8435 2.1801 2.1900 2.2321 2.2429 8.5307 8.5308 11.8167 11.8341 11.8872 11.9022 12.2693 12.2720 12.3484 12.3499 k = 0.0000 0.0000 0.0454 ( 4127 PWs) bands (ev): -16.9020 -16.9020 -15.4877 -15.4876 -15.2742 -15.2741 -14.7332 -14.7328 -14.7111 -14.7071 -14.7047 -14.7012 -5.8900 -5.8899 -5.5052 -5.5050 -2.9038 -2.9001 -2.8678 -2.8651 -2.7614 -2.7546 -2.6146 -2.6084 -0.4503 -0.4491 -0.3642 -0.3634 -0.1805 -0.1800 0.0855 0.0877 1.0153 1.0269 1.0417 1.0557 1.0570 1.0598 1.4455 1.4471 1.5588 1.5619 1.8463 1.8473 2.1738 2.1833 2.2495 2.2603 8.5451 8.5451 11.7981 11.8160 11.9008 11.9148 12.2471 12.2499 12.3689 12.3698 k = 0.0000 0.0000 0.0606 ( 4127 PWs) bands (ev): -16.8982 -16.8982 -15.5246 -15.5245 -15.2404 -15.2403 -14.7333 -14.7326 -14.7121 -14.7080 -14.7036 -14.7002 -5.9499 -5.9498 -5.4377 -5.4375 -2.9144 -2.9106 -2.8669 -2.8644 -2.7839 -2.7772 -2.5887 -2.5826 -0.4614 -0.4601 -0.3476 -0.3469 -0.1778 -0.1772 0.0922 0.0951 1.0096 1.0232 1.0372 1.0466 1.0524 1.0559 1.4165 1.4181 1.5645 1.5679 1.8511 1.8525 2.1708 2.1799 2.2675 2.2784 8.5651 8.5652 11.7803 11.7984 11.9116 11.9245 12.2229 12.2257 12.3909 12.3911 k = 0.0000 0.0000 0.0757 ( 4121 PWs) bands (ev): -16.8933 -16.8933 -15.5617 -15.5616 -15.2072 -15.2072 -14.7333 -14.7325 -14.7131 -14.7090 -14.7025 -14.6992 -6.0084 -6.0083 -5.3694 -5.3692 -2.9263 -2.9224 -2.8675 -2.8653 -2.8059 -2.7991 -2.5625 -2.5566 -0.4712 -0.4698 -0.3308 -0.3301 -0.1742 -0.1735 0.1007 0.1043 1.0023 1.0149 1.0319 1.0342 1.0460 1.0556 1.3858 1.3872 1.5659 1.5698 1.8574 1.8591 2.1713 2.1799 2.2859 2.2968 8.5907 8.5908 11.7636 11.7819 11.9189 11.9306 12.1962 12.1990 12.4145 12.4150 k = 0.0000 0.0000 0.0909 ( 4121 PWs) bands (ev): -16.8873 -16.8873 -15.5990 -15.5989 -15.1748 -15.1748 -14.7333 -14.7324 -14.7141 -14.7099 -14.7015 -14.6982 -6.0654 -6.0652 -5.3006 -5.3003 -2.9394 -2.9354 -2.8695 -2.8676 -2.8271 -2.8203 -2.5362 -2.5304 -0.4797 -0.4782 -0.3138 -0.3132 -0.1698 -0.1690 0.1110 0.1152 0.9921 1.0012 1.0210 1.0260 1.0417 1.0547 1.3534 1.3547 1.5634 1.5677 1.8650 1.8671 2.1751 2.1832 2.3042 2.3152 8.6218 8.6218 11.7484 11.7669 11.9226 11.9331 12.1669 12.1696 12.4402 12.4416 k = 0.0000 0.0000 0.1060 ( 4133 PWs) bands (ev): -16.8802 -16.8802 -15.6365 -15.6364 -15.1432 -15.1431 -14.7333 -14.7322 -14.7150 -14.7108 -14.7004 -14.6972 -6.1207 -6.1206 -5.2311 -5.2309 -2.9537 -2.9497 -2.8730 -2.8714 -2.8476 -2.8408 -2.5097 -2.5041 -0.4867 -0.4852 -0.2968 -0.2963 -0.1646 -0.1638 0.1230 0.1278 0.9775 0.9829 1.0088 1.0194 1.0386 1.0533 1.3198 1.3209 1.5573 1.5619 1.8740 1.8764 2.1820 2.1896 2.3222 2.3331 8.6581 8.6582 11.7350 11.7536 11.9224 11.9317 12.1345 12.1372 12.4685 12.4707 k = 0.0000 0.0000 0.1212 ( 4133 PWs) bands (ev): -16.8720 -16.8720 -15.6741 -15.6740 -15.1124 -15.1123 -14.7333 -14.7321 -14.7160 -14.7117 -14.6993 -14.6963 -6.1744 -6.1743 -5.1613 -5.1610 -2.9692 -2.9652 -2.8778 -2.8767 -2.8672 -2.8606 -2.4832 -2.4777 -0.4922 -0.4907 -0.2800 -0.2795 -0.1586 -0.1577 0.1365 0.1420 0.9582 0.9612 0.9981 1.0120 1.0361 1.0515 1.2851 1.2861 1.5482 1.5531 1.8843 1.8871 2.1915 2.1986 2.3394 2.3503 8.6997 8.6997 11.7237 11.7424 11.9184 11.9266 12.0990 12.1016 12.4994 12.5023 k = 0.0000 0.0000 0.1363 ( 4132 PWs) bands (ev): -16.8628 -16.8628 -15.7117 -15.7116 -15.0825 -15.0824 -14.7332 -14.7319 -14.7169 -14.7126 -14.6983 -14.6953 -6.2263 -6.2262 -5.0911 -5.0908 -2.9859 -2.9819 -2.8873 -2.8839 -2.8820 -2.8795 -2.4567 -2.4514 -0.4962 -0.4946 -0.2634 -0.2630 -0.1518 -0.1509 0.1514 0.1575 0.9350 0.9367 0.9883 1.0038 1.0336 1.0492 1.2497 1.2505 1.5365 1.5417 1.8958 1.8990 2.2033 2.2099 2.3557 2.3665 8.7462 8.7462 11.7147 11.7334 11.9110 11.9180 12.0603 12.0627 12.5328 12.5364 k = 0.0000 0.0000 0.1515 ( 4120 PWs) bands (ev): -16.8525 -16.8525 -15.7493 -15.7492 -15.0535 -15.0534 -14.7332 -14.7317 -14.7178 -14.7134 -14.6972 -14.6944 -6.2764 -6.2763 -5.0206 -5.0203 -3.0038 -2.9999 -2.9051 -2.8977 -2.8912 -2.8901 -2.4303 -2.4252 -0.4985 -0.4968 -0.2473 -0.2468 -0.1443 -0.1435 0.1677 0.1743 0.9090 0.9100 0.9785 0.9948 1.0311 1.0465 1.2137 1.2143 1.5230 1.5283 1.9086 1.9122 2.2168 2.2229 2.3709 2.3816 8.7975 8.7975 11.7081 11.7269 11.9003 11.9064 12.0182 12.0206 12.5684 12.5726 k = 0.0000 0.0000 0.1666 ( 4132 PWs) bands (ev): -16.8411 -16.8411 -15.7869 -15.7868 -15.0255 -15.0254 -14.7332 -14.7315 -14.7186 -14.7143 -14.6962 -14.6935 -6.3246 -6.3245 -4.9500 -4.9497 -3.0230 -3.0191 -2.9224 -2.9151 -2.8995 -2.8989 -2.4042 -2.3992 -0.4991 -0.4974 -0.2317 -0.2313 -0.1362 -0.1354 0.1850 0.1922 0.8808 0.8815 0.9683 0.9849 1.0283 1.0434 1.1774 1.1776 1.5081 1.5134 1.9226 1.9266 2.2315 2.2373 2.3846 2.3953 8.8534 8.8535 11.7040 11.7228 11.8869 11.8920 11.9728 11.9750 12.6059 12.6106 k = 0.0000 0.0000 0.1818 ( 4138 PWs) bands (ev): -16.8287 -16.8287 -15.8244 -15.8243 -14.9985 -14.9985 -14.7331 -14.7313 -14.7194 -14.7151 -14.6952 -14.6926 -6.3708 -6.3707 -4.8794 -4.8791 -3.0434 -3.0398 -2.9389 -2.9316 -2.9088 -2.9087 -2.3783 -2.3735 -0.4980 -0.4961 -0.2168 -0.2164 -0.1274 -0.1267 0.2033 0.2110 0.8511 0.8515 0.9576 0.9740 1.0255 1.0401 1.1407 1.1410 1.4923 1.4976 1.9377 1.9421 2.2471 2.2525 2.3969 2.4075 8.9137 8.9138 11.7023 11.7210 11.8711 11.8755 11.9243 11.9264 12.6451 12.6501 k = 0.0000 0.0000 0.1969 ( 4138 PWs) bands (ev): -16.8153 -16.8152 -15.8617 -15.8616 -14.9727 -14.9726 -14.7330 -14.7311 -14.7202 -14.7158 -14.6943 -14.6918 -6.4150 -6.4149 -4.8088 -4.8085 -3.0653 -3.0618 -2.9546 -2.9472 -2.9192 -2.9189 -2.3528 -2.3482 -0.4951 -0.4931 -0.2026 -0.2023 -0.1182 -0.1176 0.2224 0.2305 0.8204 0.8206 0.9460 0.9619 1.0225 1.0366 1.1038 1.1048 1.4760 1.4813 1.9539 1.9586 2.2631 2.2682 2.4075 2.4181 8.9782 8.9782 11.7023 11.7208 11.8533 11.8571 11.8737 11.8754 12.6856 12.6908 k = 0.0000 0.0000 0.2121 ( 4138 PWs) bands (ev): -16.8008 -16.8008 -15.8989 -15.8988 -14.9480 -14.9479 -14.7329 -14.7309 -14.7210 -14.7166 -14.6933 -14.6910 -6.4570 -6.4569 -4.7384 -4.7381 -3.0886 -3.0853 -2.9693 -2.9620 -2.9303 -2.9295 -2.3279 -2.3235 -0.4903 -0.4883 -0.1894 -0.1890 -0.1087 -0.1083 0.2421 0.2505 0.7890 0.7892 0.9333 0.9483 1.0195 1.0329 1.0673 1.0692 1.4597 1.4648 1.9711 1.9762 2.2793 2.2841 2.4164 2.4269 9.0466 9.0466 11.7020 11.7191 11.8234 11.8239 11.8351 11.8374 12.7270 12.7324 k = 0.0000 0.0000 0.2272 ( 4144 PWs) bands (ev): -16.7853 -16.7853 -15.9359 -15.9358 -14.9245 -14.9244 -14.7328 -14.7306 -14.7217 -14.7173 -14.6924 -14.6902 -6.4969 -6.4968 -4.6682 -4.6679 -3.1134 -3.1104 -2.9831 -2.9758 -2.9419 -2.9406 -2.3035 -2.2993 -0.4837 -0.4816 -0.1771 -0.1767 -0.0991 -0.0989 0.2620 0.2709 0.7578 0.7579 0.9194 0.9329 1.0165 1.0291 1.0313 1.0347 1.4436 1.4485 1.9893 1.9947 2.2954 2.2998 2.4234 2.4338 9.1187 9.1187 11.6927 11.7044 11.7811 11.7870 11.8149 11.8168 12.7690 12.7744 k = 0.0000 0.0000 0.2424 ( 4144 PWs) bands (ev): -16.7688 -16.7688 -15.9726 -15.9725 -14.9022 -14.9022 -14.7327 -14.7304 -14.7224 -14.7181 -14.6916 -14.6895 -6.5345 -6.5344 -4.5984 -4.5981 -3.1400 -3.1372 -2.9960 -2.9887 -2.9537 -2.9520 -2.2799 -2.2760 -0.4752 -0.4730 -0.1658 -0.1654 -0.0897 -0.0896 0.2821 0.2912 0.7271 0.7273 0.9037 0.9149 0.9966 1.0022 1.0136 1.0253 1.4280 1.4325 2.0083 2.0140 2.3112 2.3154 2.4285 2.4389 9.1942 9.1943 11.6566 11.6607 11.7645 11.7787 11.7950 11.7956 12.8112 12.8166 k = 0.0000 0.0000 0.2575 ( 4150 PWs) bands (ev): -16.7513 -16.7513 -16.0091 -16.0090 -14.8813 -14.8812 -14.7326 -14.7301 -14.7231 -14.7187 -14.6907 -14.6888 -6.5698 -6.5697 -4.5290 -4.5287 -3.1682 -3.1658 -3.0079 -3.0006 -2.9655 -2.9633 -2.2571 -2.2534 -0.4648 -0.4626 -0.1556 -0.1552 -0.0810 -0.0806 0.3020 0.3111 0.6978 0.6981 0.8854 0.8935 0.9640 0.9726 1.0108 1.0216 1.4130 1.4172 2.0280 2.0341 2.3264 2.3304 2.4316 2.4419 9.2730 9.2730 11.5981 11.5993 11.7647 11.7742 11.7803 11.7881 12.8534 12.8587 k = 0.0000 0.0000 0.2727 ( 4150 PWs) bands (ev): -16.7329 -16.7328 -16.0452 -16.0451 -14.8617 -14.8616 -14.7324 -14.7299 -14.7238 -14.7194 -14.6899 -14.6882 -6.6027 -6.6027 -4.4602 -4.4599 -3.1984 -3.1962 -3.0189 -3.0115 -2.9773 -2.9746 -2.2354 -2.2319 -0.4526 -0.4503 -0.1466 -0.1461 -0.0732 -0.0725 0.3213 0.3303 0.6707 0.6714 0.8637 0.8681 0.9344 0.9466 1.0082 1.0181 1.3988 1.4026 2.0484 2.0549 2.3410 2.3447 2.4328 2.4430 9.3547 9.3548 11.5301 11.5304 11.7496 11.7531 11.7907 11.8051 12.8952 12.9003 k = 0.0000 0.0000 0.2878 ( 4150 PWs) bands (ev): -16.7134 -16.7134 -16.0810 -16.0809 -14.8435 -14.8434 -14.7323 -14.7296 -14.7244 -14.7201 -14.6892 -14.6876 -6.6332 -6.6332 -4.3920 -4.3917 -3.2304 -3.2285 -3.0288 -3.0214 -2.9888 -2.9857 -2.2147 -2.2115 -0.4385 -0.4361 -0.1386 -0.1381 -0.0667 -0.0657 0.3397 0.3483 0.6468 0.6480 0.8381 0.8392 0.9086 0.9238 1.0058 1.0148 1.3855 1.3889 2.0695 2.0762 2.3547 2.3583 2.4321 2.4421 9.4392 9.4392 11.4567 11.4568 11.7300 11.7324 11.8116 11.8272 12.9362 12.9409 k = 0.0000 0.0000 0.3030 ( 4174 PWs) bands (ev): -16.6930 -16.6930 -16.1163 -16.1162 -14.8267 -14.8267 -14.7321 -14.7293 -14.7250 -14.7207 -14.6885 -14.6870 -6.6613 -6.6612 -4.3246 -4.3243 -3.2644 -3.2628 -3.0377 -3.0304 -2.9999 -2.9963 -2.1953 -2.1923 -0.4227 -0.4202 -0.1317 -0.1312 -0.0622 -0.0607 0.3567 0.3646 0.6271 0.6292 0.8079 0.8089 0.8861 0.9032 1.0038 1.0118 1.3731 1.3761 2.0909 2.0980 2.3675 2.3710 2.4294 2.4392 9.5261 9.5261 11.3792 11.3795 11.7107 11.7125 11.8376 11.8534 12.9760 12.9766 k = 0.0000 0.0000 0.3181 ( 4174 PWs) bands (ev): -16.6717 -16.6717 -16.1512 -16.1511 -14.8114 -14.8114 -14.7319 -14.7290 -14.7255 -14.7213 -14.6879 -14.6865 -6.6868 -6.6868 -4.2581 -4.2578 -3.3003 -3.2990 -3.0456 -3.0383 -3.0104 -3.0065 -2.1772 -2.1745 -0.4051 -0.4025 -0.1258 -0.1253 -0.0602 -0.0583 0.3721 0.3788 0.6126 0.6160 0.7752 0.7775 0.8658 0.8839 1.0020 1.0091 1.3618 1.3644 2.1128 2.1202 2.3792 2.3826 2.4249 2.4344 9.6152 9.6152 11.2985 11.2988 11.6922 11.6936 11.8676 11.8836 12.9137 12.9251 k = 0.0000 0.0000 0.3333 ( 4162 PWs) bands (ev): -16.6495 -16.6494 -16.1857 -16.1856 -14.7977 -14.7976 -14.7317 -14.7287 -14.7260 -14.7219 -14.6873 -14.6861 -6.7098 -6.7097 -4.1925 -4.1922 -3.3383 -3.3372 -3.0524 -3.0451 -3.0203 -3.0160 -2.1605 -2.1581 -0.3859 -0.3832 -0.1209 -0.1204 -0.0612 -0.0589 0.3856 0.3908 0.6042 0.6092 0.7421 0.7450 0.8466 0.8651 1.0005 1.0067 1.3516 1.3538 2.1349 2.1426 2.3894 2.3933 2.4189 2.4276 9.7063 9.7063 11.2148 11.2152 11.6749 11.6761 11.9016 11.9175 12.8400 12.8515 k = 0.0000 0.0000 0.3484 ( 4174 PWs) bands (ev): -16.6263 -16.6263 -16.2196 -16.2195 -14.7854 -14.7854 -14.7314 -14.7284 -14.7265 -14.7224 -14.6868 -14.6857 -6.7301 -6.7301 -4.1279 -4.1277 -3.3783 -3.3774 -3.0582 -3.0510 -3.0295 -3.0248 -2.1456 -2.1434 -0.3651 -0.3624 -0.1169 -0.1163 -0.0658 -0.0630 0.3976 0.4011 0.6020 0.6089 0.7091 0.7124 0.8279 0.8465 0.9994 1.0047 1.3425 1.3444 2.1571 2.1651 2.3970 2.4028 2.4126 2.4191 9.7991 9.7991 11.1285 11.1289 11.6591 11.6601 11.9391 11.9550 12.7667 12.7785 k = 0.0000 0.0000 0.3636 ( 4186 PWs) bands (ev): -16.6023 -16.6022 -16.2531 -16.2530 -14.7748 -14.7747 -14.7312 -14.7280 -14.7270 -14.7230 -14.6863 -14.6854 -6.7478 -6.7478 -4.0645 -4.0643 -3.4203 -3.4195 -3.0629 -3.0558 -3.0379 -3.0329 -2.1323 -2.1304 -0.3429 -0.3401 -0.1137 -0.1131 -0.0742 -0.0710 0.4089 0.4107 0.6057 0.6145 0.6765 0.6800 0.8093 0.8277 0.9985 1.0030 1.3346 1.3361 2.1794 2.1877 2.3953 2.4087 2.4111 2.4125 9.8933 9.8933 11.0398 11.0402 11.6451 11.6458 11.9802 11.9959 12.6943 12.7065 k = 0.0000 0.0000 0.3787 ( 4174 PWs) bands (ev): -16.5774 -16.5773 -16.2859 -16.2858 -14.7657 -14.7657 -14.7308 -14.7277 -14.7274 -14.7235 -14.6859 -14.6851 -6.7629 -6.7628 -4.0023 -4.0021 -3.4643 -3.4637 -3.0666 -3.0595 -3.0454 -3.0401 -2.1208 -2.1193 -0.3194 -0.3165 -0.1113 -0.1106 -0.0864 -0.0828 0.4205 0.4209 0.6142 0.6249 0.6447 0.6485 0.7907 0.8088 0.9979 1.0016 1.3278 1.3291 2.2015 2.2101 2.3852 2.3967 2.4181 2.4181 9.9887 9.9887 10.9491 10.9494 11.6329 11.6335 12.0247 12.0402 12.6232 12.6357 k = 0.0000 0.0000 0.3939 ( 4180 PWs) bands (ev): -16.5517 -16.5516 -16.3182 -16.3181 -14.7583 -14.7583 -14.7305 -14.7278 -14.7273 -14.7240 -14.6855 -14.6849 -6.7752 -6.7752 -3.9414 -3.9412 -3.5102 -3.5097 -3.0691 -3.0622 -3.0521 -3.0465 -2.1113 -2.1100 -0.2949 -0.2919 -0.1101 -0.1087 -0.1024 -0.0978 0.4327 0.4336 0.6138 0.6161 0.6281 0.6388 0.7718 0.7896 0.9976 1.0005 1.3223 1.3232 2.2234 2.2322 2.3723 2.3831 2.4236 2.4239 10.0850 10.0851 10.8566 10.8569 11.6227 11.6231 12.0725 12.0877 12.5534 12.5663 k = 0.0000 0.0000 0.4090 ( 4180 PWs) bands (ev): -16.5251 -16.5251 -16.3498 -16.3498 -14.7526 -14.7526 -14.7301 -14.7281 -14.7270 -14.7244 -14.6852 -14.6847 -6.7848 -6.7848 -3.8818 -3.8817 -3.5580 -3.5576 -3.0707 -3.0638 -3.0578 -3.0519 -2.1037 -2.1028 -0.2695 -0.2665 -0.1215 -0.1193 -0.1073 -0.1063 0.4470 0.4487 0.5843 0.5875 0.6422 0.6550 0.7528 0.7702 0.9974 0.9996 1.3180 1.3187 2.2449 2.2539 2.3576 2.3681 2.4281 2.4285 10.1820 10.1821 10.7626 10.7629 11.6146 11.6150 12.1233 12.1383 12.4854 12.4986 k = 0.0000 0.0000 0.4242 ( 4192 PWs) bands (ev): -16.4978 -16.4977 -16.3808 -16.3808 -14.7485 -14.7485 -14.7298 -14.7284 -14.7266 -14.7249 -14.6850 -14.6847 -6.7917 -6.7917 -3.8237 -3.8237 -3.6076 -3.6074 -3.0711 -3.0644 -3.0625 -3.0564 -2.0982 -2.0976 -0.2437 -0.2406 -0.1432 -0.1402 -0.1063 -0.1061 0.4639 0.4662 0.5562 0.5595 0.6589 0.6729 0.7337 0.7506 0.9974 0.9988 1.3149 1.3153 2.2658 2.2751 2.3414 2.3517 2.4314 2.4317 10.2793 10.2795 10.6673 10.6676 11.6088 11.6090 12.1772 12.1919 12.4192 12.4327 k = 0.0000 0.0000 0.4393 ( 4186 PWs) bands (ev): -16.4697 -16.4696 -16.4112 -16.4111 -14.7461 -14.7461 -14.7294 -14.7287 -14.7262 -14.7253 -14.6848 -14.6846 -6.7959 -6.7959 -3.7672 -3.7672 -3.6591 -3.6590 -3.0705 -3.0662 -3.0639 -3.0599 -2.0948 -2.0945 -0.2176 -0.2145 -0.1669 -0.1637 -0.1058 -0.1057 0.4835 0.4862 0.5299 0.5331 0.6769 0.6918 0.7145 0.7308 0.9976 0.9983 1.3131 1.3133 2.2861 2.2956 2.3241 2.3341 2.4335 2.4336 10.3768 10.3770 10.5711 10.5713 11.6053 11.6054 12.2339 12.2484 12.3551 12.3689 k = 0.0000 0.0000 0.4545 ( 4198 PWs) bands (ev): -16.4408 -16.4408 -16.4407 -16.4407 -14.7453 -14.7453 -14.7290 -14.7290 -14.7258 -14.7258 -14.6847 -14.6847 -6.7972 -6.7972 -3.7123 -3.7123 -3.7123 -3.7123 -3.0689 -3.0689 -3.0625 -3.0625 -2.0936 -2.0936 -0.1919 -0.1919 -0.1887 -0.1887 -0.1056 -0.1056 0.5055 0.5055 0.5086 0.5086 0.6955 0.6955 0.7112 0.7112 0.9979 0.9979 1.3126 1.3126 2.3055 2.3055 2.3153 2.3153 2.4342 2.4342 10.4742 10.4742 10.4743 10.4743 11.6042 11.6042 12.2932 12.2932 12.3074 12.3074 k = 0.0000 0.0000 0.4545 ( 4198 PWs) bands (ev): -16.4408 -16.4408 -16.4407 -16.4407 -14.7453 -14.7453 -14.7290 -14.7290 -14.7258 -14.7258 -14.6847 -14.6847 -6.7972 -6.7972 -3.7123 -3.7123 -3.7123 -3.7123 -3.0689 -3.0689 -3.0625 -3.0625 -2.0936 -2.0936 -0.1919 -0.1919 -0.1887 -0.1887 -0.1056 -0.1056 0.5055 0.5055 0.5086 0.5086 0.6955 0.6955 0.7112 0.7112 0.9979 0.9979 1.3126 1.3126 2.3055 2.3055 2.3153 2.3153 2.4342 2.4342 10.4742 10.4742 10.4743 10.4743 11.6042 11.6042 12.2932 12.2932 12.3074 12.3074 k = 0.0135 0.0078 0.4545 ( 4190 PWs) bands (ev): -16.4406 -16.4406 -16.4402 -16.4401 -14.7457 -14.7451 -14.7298 -14.7293 -14.7262 -14.7261 -14.6849 -14.6847 -6.7958 -6.7958 -3.7142 -3.7138 -3.7131 -3.7124 -3.0678 -3.0678 -3.0614 -3.0613 -2.0940 -2.0940 -0.1931 -0.1931 -0.1901 -0.1897 -0.1052 -0.1050 0.5032 0.5037 0.5068 0.5070 0.6980 0.6981 0.7137 0.7138 0.9984 0.9991 1.3129 1.3134 2.3046 2.3052 2.3146 2.3147 2.4336 2.4341 10.4755 10.4755 10.4758 10.4760 11.6053 11.6055 12.2930 12.2942 12.3077 12.3078 k = 0.0270 0.0156 0.4545 ( 4178 PWs) bands (ev): -16.4401 -16.4401 -16.4385 -16.4384 -14.7465 -14.7452 -14.7320 -14.7314 -14.7271 -14.7264 -14.6853 -14.6850 -6.7916 -6.7916 -3.7195 -3.7187 -3.7150 -3.7136 -3.0646 -3.0645 -3.0582 -3.0579 -2.0952 -2.0951 -0.1969 -0.1969 -0.1938 -0.1932 -0.1039 -0.1034 0.4968 0.4984 0.5016 0.5026 0.7049 0.7056 0.7208 0.7213 1.0006 1.0020 1.3143 1.3153 2.3022 2.3034 2.3126 2.3129 2.4323 2.4334 10.4793 10.4795 10.4806 10.4809 11.6088 11.6091 12.2935 12.2959 12.3086 12.3091 k = 0.0405 0.0234 0.4545 ( 4180 PWs) bands (ev): -16.4394 -16.4393 -16.4356 -16.4356 -14.7475 -14.7457 -14.7362 -14.7357 -14.7277 -14.7263 -14.6859 -14.6856 -6.7845 -6.7845 -3.7281 -3.7270 -3.7178 -3.7159 -3.0594 -3.0590 -3.0529 -3.0523 -2.0972 -2.0970 -0.2035 -0.2034 -0.1997 -0.1988 -0.1015 -0.1008 0.4875 0.4905 0.4936 0.4959 0.7151 0.7173 0.7316 0.7334 1.0044 1.0065 1.3169 1.3183 2.2982 2.3002 2.3093 2.3101 2.4304 2.4320 10.4857 10.4860 10.4886 10.4891 11.6145 11.6150 12.2946 12.2984 12.3098 12.3116 k = 0.0541 0.0312 0.4545 ( 4174 PWs) bands (ev): -16.4383 -16.4382 -16.4317 -16.4316 -14.7491 -14.7469 -14.7421 -14.7417 -14.7281 -14.7261 -14.6868 -14.6863 -6.7747 -6.7746 -3.7398 -3.7384 -3.7215 -3.7190 -3.0526 -3.0517 -3.0456 -3.0444 -2.0999 -2.0996 -0.2128 -0.2125 -0.2074 -0.2065 -0.0981 -0.0973 0.4761 0.4807 0.4842 0.4879 0.7276 0.7320 0.7453 0.7490 1.0101 1.0128 1.3204 1.3223 2.2924 2.2952 2.3049 2.3066 2.4279 2.4299 10.4945 10.4949 10.4998 10.5005 11.6226 11.6231 12.2959 12.3021 12.3112 12.3154 k = 0.0676 0.0390 0.4545 ( 4170 PWs) bands (ev): -16.4370 -16.4368 -16.4266 -16.4265 -14.7530 -14.7519 -14.7474 -14.7462 -14.7284 -14.7259 -14.6879 -14.6873 -6.7621 -6.7620 -3.7545 -3.7528 -3.7260 -3.7229 -3.0443 -3.0428 -3.0362 -3.0344 -2.1035 -2.1030 -0.2246 -0.2240 -0.2170 -0.2162 -0.0937 -0.0929 0.4634 0.4690 0.4746 0.4793 0.7415 0.7484 0.7613 0.7674 1.0175 1.0208 1.3250 1.3273 2.2849 2.2885 2.2996 2.3022 2.4248 2.4272 10.5059 10.5064 10.5143 10.5151 11.6328 11.6336 12.2973 12.3072 12.3126 12.3207 k = 0.0811 0.0468 0.4545 ( 4170 PWs) bands (ev): -16.4353 -16.4351 -16.4204 -16.4203 -14.7619 -14.7615 -14.7501 -14.7478 -14.7286 -14.7257 -14.6891 -14.6885 -6.7468 -6.7467 -3.7719 -3.7700 -3.7312 -3.7277 -3.0348 -3.0328 -3.0246 -3.0223 -2.1077 -2.1072 -0.2386 -0.2378 -0.2286 -0.2279 -0.0884 -0.0875 0.4499 0.4560 0.4657 0.4709 0.7560 0.7651 0.7796 0.7877 1.0266 1.0305 1.3303 1.3331 2.2758 2.2801 2.2932 2.2968 2.4214 2.4240 10.5196 10.5202 10.5320 10.5329 11.6452 11.6461 12.2985 12.3131 12.3146 12.3277 k = 0.0946 0.0546 0.4545 ( 4170 PWs) bands (ev): -16.4334 -16.4332 -16.4130 -16.4129 -14.7735 -14.7733 -14.7520 -14.7493 -14.7288 -14.7256 -14.6906 -14.6898 -6.7288 -6.7287 -3.7918 -3.7897 -3.7370 -3.7330 -3.0244 -3.0220 -3.0110 -3.0083 -2.1127 -2.1122 -0.2545 -0.2535 -0.2420 -0.2414 -0.0820 -0.0812 0.4360 0.4424 0.4577 0.4632 0.7708 0.7814 0.7999 0.8095 1.0374 1.0418 1.3365 1.3396 2.2652 2.2702 2.2857 2.2902 2.4176 2.4204 10.5358 10.5365 10.5529 10.5539 11.6596 11.6607 12.2993 12.3143 12.3228 12.3366 k = 0.1081 0.0624 0.4545 ( 4174 PWs) bands (ev): -16.4312 -16.4309 -16.4046 -16.4045 -14.7870 -14.7868 -14.7539 -14.7510 -14.7291 -14.7257 -14.6922 -14.6913 -6.7083 -6.7082 -3.8139 -3.8117 -3.7432 -3.7388 -3.0132 -3.0105 -2.9955 -2.9925 -2.1185 -2.1178 -0.2720 -0.2708 -0.2573 -0.2567 -0.0747 -0.0740 0.4218 0.4283 0.4508 0.4564 0.7856 0.7971 0.8217 0.8322 1.0499 1.0546 1.3433 1.3468 2.2533 2.2588 2.2769 2.2822 2.4135 2.4164 10.5542 10.5550 10.5769 10.5781 11.6760 11.6772 12.2996 12.3146 12.3335 12.3475 k = 0.1216 0.0702 0.4545 ( 4170 PWs) bands (ev): -16.4288 -16.4285 -16.3951 -16.3949 -14.8022 -14.8020 -14.7559 -14.7528 -14.7294 -14.7258 -14.6940 -14.6930 -6.6852 -6.6851 -3.8382 -3.8359 -3.7497 -3.7451 -3.0015 -2.9985 -2.9783 -2.9751 -2.1250 -2.1242 -0.2908 -0.2895 -0.2742 -0.2735 -0.0665 -0.0658 0.4075 0.4141 0.4451 0.4508 0.8002 0.8121 0.8444 0.8555 1.0638 1.0689 1.3506 1.3544 2.2403 2.2463 2.2666 2.2727 2.4094 2.4123 10.5748 10.5758 10.6042 10.6055 11.6941 11.6956 12.2994 12.3143 12.3464 12.3606 k = 0.1351 0.0780 0.4545 ( 4172 PWs) bands (ev): -16.4261 -16.4257 -16.3845 -16.3843 -14.8190 -14.8188 -14.7580 -14.7547 -14.7297 -14.7260 -14.6958 -14.6948 -6.6597 -6.6596 -3.8643 -3.8619 -3.7565 -3.7516 -2.9893 -2.9861 -2.9597 -2.9564 -2.1322 -2.1314 -0.3107 -0.3093 -0.2925 -0.2918 -0.0573 -0.0566 0.3932 0.3998 0.4407 0.4465 0.8145 0.8267 0.8675 0.8790 1.0789 1.0843 1.3585 1.3626 2.2262 2.2327 2.2547 2.2617 2.4053 2.4081 10.5977 10.5987 10.6346 10.6360 11.7139 11.7156 12.2985 12.3134 12.3616 12.3760 k = 0.1486 0.0858 0.4545 ( 4164 PWs) bands (ev): -16.4232 -16.4228 -16.3729 -16.3727 -14.8373 -14.8371 -14.7601 -14.7569 -14.7302 -14.7264 -14.6978 -14.6966 -6.6318 -6.6317 -3.8921 -3.8898 -3.7634 -3.7583 -2.9770 -2.9736 -2.9399 -2.9365 -2.1402 -2.1392 -0.3314 -0.3298 -0.3122 -0.3112 -0.0471 -0.0466 0.3790 0.3855 0.4376 0.4434 0.8285 0.8409 0.8909 0.9026 1.0951 1.1007 1.3667 1.3710 2.2112 2.2183 2.2412 2.2490 2.4012 2.4039 10.6225 10.6237 10.6680 10.6695 11.7353 11.7372 12.2969 12.3118 12.3793 12.3938 k = 0.1622 0.0936 0.4545 ( 4160 PWs) bands (ev): -16.4201 -16.4197 -16.3602 -16.3600 -14.8571 -14.8568 -14.7625 -14.7592 -14.7307 -14.7268 -14.6998 -14.6986 -6.6017 -6.6016 -3.9216 -3.9192 -3.7703 -3.7651 -2.9645 -2.9610 -2.9190 -2.9155 -2.1488 -2.1477 -0.3526 -0.3510 -0.3328 -0.3317 -0.0361 -0.0355 0.3649 0.3713 0.4356 0.4413 0.8424 0.8548 0.9140 0.9260 1.1121 1.1178 1.3752 1.3798 2.1955 2.2030 2.2260 2.2346 2.3972 2.3998 10.6494 10.6507 10.7044 10.7061 11.7579 11.7601 12.2947 12.3095 12.3996 12.4141 k = 0.1757 0.1014 0.4545 ( 4156 PWs) bands (ev): -16.4168 -16.4164 -16.3465 -16.3463 -14.8783 -14.8780 -14.7649 -14.7616 -14.7313 -14.7274 -14.7018 -14.7006 -6.5695 -6.5694 -3.9525 -3.9501 -3.7772 -3.7719 -2.9520 -2.9484 -2.8971 -2.8937 -2.1580 -2.1568 -0.3742 -0.3724 -0.3541 -0.3529 -0.0241 -0.0236 0.3510 0.3573 0.4345 0.4403 0.8561 0.8686 0.9368 0.9489 1.1296 1.1354 1.3841 1.3888 2.1790 2.1870 2.2092 2.2186 2.3934 2.3958 10.6782 10.6796 10.7437 10.7455 11.7817 11.7841 12.2920 12.3066 12.4224 12.4370 k = 0.1892 0.1092 0.4545 ( 4164 PWs) bands (ev): -16.4133 -16.4129 -16.3318 -16.3315 -14.9007 -14.9004 -14.7674 -14.7642 -14.7319 -14.7281 -14.7038 -14.7026 -6.5352 -6.5351 -3.9847 -3.9823 -3.7840 -3.7787 -2.9397 -2.9359 -2.8746 -2.8711 -2.1679 -2.1666 -0.3959 -0.3940 -0.3760 -0.3745 -0.0114 -0.0107 0.3374 0.3435 0.4343 0.4401 0.8699 0.8823 0.9589 0.9711 1.1473 1.1532 1.3932 1.3980 2.1618 2.1704 2.1910 2.2011 2.3897 2.3920 10.7088 10.7103 10.7858 10.7877 11.8065 11.8092 12.2887 12.3031 12.4478 12.4625 k = 0.2027 0.1170 0.4545 ( 4172 PWs) bands (ev): -16.4097 -16.4093 -16.3161 -16.3159 -14.9244 -14.9240 -14.7701 -14.7669 -14.7327 -14.7290 -14.7057 -14.7046 -6.4991 -6.4989 -4.0181 -4.0158 -3.7906 -3.7854 -2.9276 -2.9237 -2.8515 -2.8481 -2.1783 -2.1769 -0.4175 -0.4155 -0.3980 -0.3965 0.0021 0.0029 0.3241 0.3300 0.4348 0.4405 0.8838 0.8962 0.9802 0.9924 1.1650 1.1710 1.4026 1.4075 2.1441 2.1531 2.1717 2.1824 2.3862 2.3883 10.7412 10.7427 10.8306 10.8326 11.8321 11.8350 12.2851 12.2994 12.4758 12.4906 k = 0.2162 0.1248 0.4545 ( 4180 PWs) bands (ev): -16.4060 -16.4056 -16.2995 -16.2992 -14.9491 -14.9488 -14.7728 -14.7697 -14.7335 -14.7300 -14.7076 -14.7065 -6.4612 -6.4610 -4.0527 -4.0504 -3.7971 -3.7918 -2.9157 -2.9117 -2.8281 -2.8247 -2.1893 -2.1878 -0.4389 -0.4368 -0.4201 -0.4184 0.0163 0.0173 0.3113 0.3169 0.4358 0.4414 0.8978 0.9102 1.0003 1.0126 1.1825 1.1887 1.4123 1.4172 2.1256 2.1349 2.1516 2.1628 2.3828 2.3848 10.7752 10.7768 10.8780 10.8800 11.8583 11.8615 12.2814 12.2953 12.5063 12.5211 k = 0.2297 0.1326 0.4545 ( 4176 PWs) bands (ev): -16.4022 -16.4018 -16.2820 -16.2817 -14.9749 -14.9745 -14.7757 -14.7726 -14.7344 -14.7310 -14.7095 -14.7084 -6.4216 -6.4214 -4.0883 -4.0860 -3.8032 -3.7981 -2.9041 -2.9001 -2.8044 -2.8011 -2.2008 -2.1992 -0.4599 -0.4577 -0.4419 -0.4400 0.0311 0.0324 0.2990 0.3043 0.4371 0.4427 0.9120 0.9245 1.0192 1.0316 1.1995 1.2059 1.4224 1.4273 2.1064 2.1153 2.1316 2.1426 2.3796 2.3813 10.8107 10.8124 10.9277 10.9298 11.8849 11.8883 12.2777 12.2913 12.5391 12.5539 k = 0.2432 0.1404 0.4545 ( 4174 PWs) bands (ev): -16.3984 -16.3979 -16.2636 -16.2633 -15.0016 -15.0012 -14.7786 -14.7756 -14.7354 -14.7322 -14.7112 -14.7103 -6.3806 -6.3804 -4.1248 -4.1226 -3.8091 -3.8041 -2.8928 -2.8888 -2.7806 -2.7775 -2.2126 -2.2110 -0.4804 -0.4781 -0.4632 -0.4612 0.0464 0.0479 0.2873 0.2923 0.4386 0.4442 0.9263 0.9390 1.0367 1.0491 1.2158 1.2226 1.4330 1.4377 2.0862 2.0937 2.1126 2.1223 2.3764 2.3780 10.8476 10.8494 10.9797 10.9819 11.9117 11.9154 12.2743 12.2875 12.5740 12.5887 k = 0.2568 0.1482 0.4545 ( 4162 PWs) bands (ev): -16.3945 -16.3940 -16.2444 -16.2441 -15.0291 -15.0287 -14.7816 -14.7787 -14.7364 -14.7334 -14.7128 -14.7120 -6.3383 -6.3380 -4.1622 -4.1601 -3.8147 -3.8098 -2.8820 -2.8780 -2.7570 -2.7540 -2.2248 -2.2231 -0.5004 -0.4979 -0.4838 -0.4818 0.0618 0.0637 0.2766 0.2811 0.4403 0.4458 0.9407 0.9536 1.0526 1.0651 1.2315 1.2386 1.4440 1.4485 2.0647 2.0703 2.0946 2.1025 2.3733 2.3747 10.8858 10.8876 11.0338 11.0360 11.9386 11.9423 12.2714 12.2842 12.6104 12.6251 k = 0.2703 0.1560 0.4545 ( 4158 PWs) bands (ev): -16.3906 -16.3901 -16.2244 -16.2241 -15.0573 -15.0569 -14.7847 -14.7819 -14.7374 -14.7347 -14.7144 -14.7137 -6.2948 -6.2945 -4.2003 -4.1983 -3.8199 -3.8152 -2.8715 -2.8675 -2.7336 -2.7308 -2.2373 -2.2355 -0.5196 -0.5170 -0.5035 -0.5014 0.0770 0.0794 0.2670 0.2710 0.4419 0.4473 0.9550 0.9681 1.0669 1.0795 1.2463 1.2538 1.4556 1.4597 2.0419 2.0454 2.0776 2.0835 2.3702 2.3715 10.9250 10.9270 11.0897 11.0919 11.9651 11.9689 12.2693 12.2815 12.6478 12.6624 k = 0.2838 0.1638 0.4545 ( 4158 PWs) bands (ev): -16.3867 -16.3862 -16.2037 -16.2034 -15.0861 -15.0857 -14.7877 -14.7851 -14.7384 -14.7360 -14.7158 -14.7152 -6.2504 -6.2501 -4.2391 -4.2371 -3.8248 -3.8203 -2.8615 -2.8576 -2.7107 -2.7080 -2.2500 -2.2481 -0.5380 -0.5353 -0.5222 -0.5202 0.0916 0.0946 0.2592 0.2625 0.4435 0.4487 0.9690 0.9823 1.0797 1.0924 1.2602 1.2682 1.4676 1.4714 2.0178 2.0196 2.0613 2.0658 2.3672 2.3684 10.9652 10.9672 11.1472 11.1495 11.9912 11.9950 12.2684 12.2799 12.6854 12.6998 k = 0.2973 0.1716 0.4545 ( 4150 PWs) bands (ev): -16.3829 -16.3824 -16.1824 -16.1821 -15.1154 -15.1150 -14.7908 -14.7883 -14.7395 -14.7373 -14.7172 -14.7167 -6.2052 -6.2049 -4.2784 -4.2765 -3.8294 -3.8250 -2.8519 -2.8480 -2.6883 -2.6858 -2.2628 -2.2609 -0.5555 -0.5528 -0.5398 -0.5378 0.1049 0.1085 0.2536 0.2562 0.4450 0.4499 0.9822 0.9957 1.0912 1.1040 1.2733 1.2818 1.4801 1.4835 1.9927 1.9933 2.0456 2.0492 2.3642 2.3653 11.0062 11.0082 11.2062 11.2085 12.0165 12.0200 12.2689 12.2796 12.7221 12.7363 k = 0.3108 0.1794 0.4545 ( 4152 PWs) bands (ev): -16.3791 -16.3787 -16.1605 -16.1601 -15.1450 -15.1446 -14.7939 -14.7915 -14.7405 -14.7385 -14.7184 -14.7181 -6.1596 -6.1593 -4.3181 -4.3163 -3.8336 -3.8294 -2.8428 -2.8390 -2.6666 -2.6643 -2.2756 -2.2736 -0.5721 -0.5694 -0.5561 -0.5542 0.1158 0.1201 0.2513 0.2532 0.4463 0.4509 0.9941 1.0078 1.1018 1.1147 1.2856 1.2945 1.4930 1.4960 1.9666 1.9670 2.0305 2.0337 2.3613 2.3622 11.0476 11.0496 11.2663 11.2686 12.0406 12.0438 12.2712 12.2809 12.7565 12.7701 k = 0.3243 0.1872 0.4545 ( 4158 PWs) bands (ev): -16.3755 -16.3750 -16.1381 -16.1377 -15.1748 -15.1744 -14.7969 -14.7947 -14.7415 -14.7398 -14.7196 -14.7194 -6.1137 -6.1133 -4.3580 -4.3562 -3.8374 -3.8335 -2.8342 -2.8304 -2.6458 -2.6436 -2.2882 -2.2862 -0.5876 -0.5850 -0.5712 -0.5694 0.1234 0.1284 0.2529 0.2545 0.4473 0.4516 1.0043 1.0177 1.1121 1.1251 1.2970 1.3065 1.5062 1.5087 1.9399 1.9408 2.0162 2.0192 2.3583 2.3592 11.0892 11.0912 11.3272 11.3296 12.0633 12.0660 12.2755 12.2840 12.7866 12.7995 k = 0.3378 0.1951 0.4545 ( 4152 PWs) bands (ev): -16.3719 -16.3715 -16.1153 -16.1149 -15.2046 -15.2042 -14.7998 -14.7977 -14.7425 -14.7410 -14.7207 -14.7206 -6.0678 -6.0674 -4.3979 -4.3963 -3.8409 -3.8373 -2.8260 -2.8224 -2.6260 -2.6240 -2.3006 -2.2986 -0.6019 -0.5994 -0.5851 -0.5834 0.1272 0.1326 0.2590 0.2607 0.4482 0.4521 1.0120 1.0249 1.1228 1.1357 1.3077 1.3176 1.5195 1.5215 1.9133 1.9146 2.0028 2.0058 2.3555 2.3562 11.1307 11.1327 11.3888 11.3912 12.0840 12.0862 12.2822 12.2893 12.8105 12.8224 k = 0.3514 0.2029 0.4545 ( 4152 PWs) bands (ev): -16.3686 -16.3682 -16.0922 -16.0919 -15.2344 -15.2339 -14.8026 -14.8007 -14.7434 -14.7421 -14.7217 -14.7217 -6.0222 -6.0218 -4.4376 -4.4361 -3.8441 -3.8407 -2.8183 -2.8148 -2.6073 -2.6054 -2.3127 -2.3107 -0.6151 -0.6127 -0.5977 -0.5962 0.1275 0.1330 0.2694 0.2713 0.4489 0.4524 1.0168 1.0288 1.1344 1.1470 1.3176 1.3280 1.5327 1.5343 1.8871 1.8886 1.9903 1.9933 2.3527 2.3533 11.1718 11.1737 11.4505 11.4529 12.1024 12.1044 12.2912 12.2967 12.8267 12.8372 k = 0.3649 0.2107 0.4545 ( 4148 PWs) bands (ev): -16.3654 -16.3650 -16.0691 -16.0688 -15.2637 -15.2633 -14.8053 -14.8036 -14.7442 -14.7431 -14.7227 -14.7226 -5.9773 -5.9770 -4.4768 -4.4754 -3.8469 -3.8438 -2.8110 -2.8078 -2.5898 -2.5881 -2.3243 -2.3224 -0.6270 -0.6248 -0.6091 -0.6078 0.1252 0.1305 0.2831 0.2852 0.4493 0.4524 1.0186 1.0294 1.1471 1.1592 1.3269 1.3376 1.5458 1.5469 1.8615 1.8630 1.9788 1.9817 2.3500 2.3506 11.2120 11.2138 11.5121 11.5145 12.1182 12.1206 12.3023 12.3061 12.8344 12.8435 k = 0.3784 0.2185 0.4545 ( 4146 PWs) bands (ev): -16.3625 -16.3621 -16.0461 -16.0458 -15.2925 -15.2921 -14.8079 -14.8063 -14.7450 -14.7440 -14.7236 -14.7235 -5.9336 -5.9332 -4.5152 -4.5139 -3.8494 -3.8465 -2.8044 -2.8013 -2.5737 -2.5722 -2.3353 -2.3334 -0.6376 -0.6356 -0.6193 -0.6182 0.1213 0.1262 0.2990 0.3012 0.4496 0.4521 1.0175 1.0269 1.1606 1.1722 1.3354 1.3464 1.5584 1.5592 1.8366 1.8380 1.9683 1.9712 2.3474 2.3479 11.2508 11.2525 11.5731 11.5754 12.1318 12.1350 12.3148 12.3170 12.8345 12.8422 k = 0.3919 0.2263 0.4545 ( 4146 PWs) bands (ev): -16.3597 -16.3594 -16.0234 -16.0231 -15.3204 -15.3201 -14.8102 -14.8088 -14.7457 -14.7449 -14.7245 -14.7243 -5.8915 -5.8911 -4.5524 -4.5511 -3.8515 -3.8490 -2.7982 -2.7954 -2.5590 -2.5577 -2.3456 -2.3438 -0.6470 -0.6452 -0.6284 -0.6273 0.1164 0.1209 0.3159 0.3183 0.4496 0.4515 1.0139 1.0220 1.1746 1.1858 1.3433 1.3544 1.5706 1.5711 1.8126 1.8139 1.9589 1.9617 2.3450 2.3454 11.2877 11.2893 11.6329 11.6352 12.1435 12.1475 12.3279 12.3289 12.8285 12.8351 k = 0.4054 0.2341 0.4545 ( 4146 PWs) bands (ev): -16.3573 -16.3570 -16.0014 -16.0011 -15.3472 -15.3468 -14.8123 -14.8111 -14.7463 -14.7456 -14.7252 -14.7250 -5.8515 -5.8511 -4.5878 -4.5866 -3.8534 -3.8512 -2.7926 -2.7901 -2.5458 -2.5447 -2.3550 -2.3534 -0.6552 -0.6535 -0.6363 -0.6354 0.1113 0.1153 0.3332 0.3357 0.4493 0.4507 1.0085 1.0153 1.1885 1.1992 1.3505 1.3615 1.5821 1.5827 1.7898 1.7909 1.9506 1.9532 2.3427 2.3431 11.3223 11.3237 11.6908 11.6930 12.1538 12.1585 12.3402 12.3410 12.8186 12.8243 k = 0.4189 0.2419 0.4545 ( 4148 PWs) bands (ev): -16.3551 -16.3549 -15.9804 -15.9801 -15.3723 -15.3720 -14.8142 -14.8131 -14.7469 -14.7463 -14.7258 -14.7256 -5.8144 -5.8140 -4.6208 -4.6198 -3.8550 -3.8530 -2.7876 -2.7854 -2.5342 -2.5333 -2.3634 -2.3620 -0.6621 -0.6606 -0.6431 -0.6423 0.1064 0.1098 0.3502 0.3528 0.4487 0.4496 1.0020 1.0076 1.2021 1.2122 1.3570 1.3678 1.5929 1.5937 1.7683 1.7691 1.9434 1.9458 2.3407 2.3410 11.3538 11.3551 11.7460 11.7481 12.1631 12.1681 12.3508 12.3524 12.8066 12.8117 k = 0.4324 0.2497 0.4545 ( 4152 PWs) bands (ev): -16.3532 -16.3530 -15.9610 -15.9607 -15.3953 -15.3950 -14.8158 -14.8149 -14.7473 -14.7469 -14.7264 -14.7262 -5.7808 -5.7804 -4.6508 -4.6499 -3.8562 -3.8546 -2.7833 -2.7814 -2.5243 -2.5235 -2.3708 -2.3695 -0.6678 -0.6666 -0.6488 -0.6481 0.1018 0.1047 0.3662 0.3690 0.4477 0.4484 0.9949 0.9995 1.2147 1.2240 1.3629 1.3730 1.6031 1.6041 1.7483 1.7490 1.9374 1.9395 2.3389 2.3392 11.3818 11.3829 11.7974 11.7993 12.1716 12.1767 12.3593 12.3614 12.7944 12.7989 k = 0.4459 0.2575 0.4545 ( 4144 PWs) bands (ev): -16.3517 -16.3515 -15.9436 -15.9433 -15.4156 -15.4154 -14.8171 -14.8164 -14.7477 -14.7473 -14.7268 -14.7266 -5.7516 -5.7513 -4.6770 -4.6763 -3.8572 -3.8559 -2.7796 -2.7780 -2.5162 -2.5155 -2.3769 -2.3759 -0.6724 -0.6714 -0.6534 -0.6529 0.0979 0.1003 0.3809 0.3838 0.4460 0.4470 0.9881 0.9917 1.2261 1.2342 1.3682 1.3772 1.6128 1.6139 1.7300 1.7306 1.9325 1.9342 2.3374 2.3376 11.4057 11.4065 11.8435 11.8452 12.1794 12.1842 12.3652 12.3675 12.7833 12.7872 k = 0.4595 0.2653 0.4545 ( 4146 PWs) bands (ev): -16.3504 -16.3503 -15.9289 -15.9287 -15.4325 -15.4323 -14.8181 -14.8176 -14.7480 -14.7477 -14.7271 -14.7270 -5.7276 -5.7273 -4.6986 -4.6980 -3.8580 -3.8570 -2.7767 -2.7755 -2.5097 -2.5093 -2.3818 -2.3810 -0.6759 -0.6751 -0.6569 -0.6565 0.0948 0.0966 0.3938 0.3967 0.4438 0.4452 0.9821 0.9848 1.2357 1.2423 1.3728 1.3801 1.6219 1.6231 1.7138 1.7144 1.9287 1.9301 2.3362 2.3363 11.4248 11.4255 11.8827 11.8842 12.1863 12.1906 12.3683 12.3705 12.7744 12.7776 k = 0.4730 0.2731 0.4545 ( 4150 PWs) bands (ev): -16.3495 -16.3494 -15.9177 -15.9176 -15.4453 -15.4452 -14.8189 -14.8185 -14.7481 -14.7480 -14.7274 -14.7273 -5.7097 -5.7095 -4.7147 -4.7143 -3.8584 -3.8578 -2.7745 -2.7737 -2.5051 -2.5048 -2.3853 -2.3847 -0.6783 -0.6778 -0.6594 -0.6592 0.0926 0.0938 0.4045 0.4071 0.4414 0.4429 0.9775 0.9792 1.2433 1.2480 1.3766 1.3819 1.6302 1.6313 1.7002 1.7008 1.9261 1.9271 2.3353 2.3354 11.4389 11.4394 11.9130 11.9141 12.1922 12.1954 12.3692 12.3710 12.7682 12.7705 k = 0.4865 0.2809 0.4545 ( 4150 PWs) bands (ev): -16.3490 -16.3489 -15.9106 -15.9106 -15.4533 -15.4533 -14.8192 -14.8191 -14.7482 -14.7482 -14.7275 -14.7275 -5.6986 -5.6985 -4.7246 -4.7244 -3.8587 -3.8583 -2.7731 -2.7727 -2.5023 -2.5022 -2.3873 -2.3871 -0.6797 -0.6794 -0.6609 -0.6608 0.0914 0.0920 0.4124 0.4141 0.4392 0.4404 0.9747 0.9755 1.2485 1.2510 1.3796 1.3823 1.6369 1.6376 1.6905 1.6909 1.9247 1.9252 2.3348 2.3348 11.4476 11.4478 11.9324 11.9330 12.1965 12.1983 12.3691 12.3701 12.7648 12.7660 k = 0.5000 0.2887 0.4545 ( 4148 PWs) bands (ev): -16.3488 -16.3488 -15.9082 -15.9082 -15.4560 -15.4560 -14.8193 -14.8193 -14.7482 -14.7482 -14.7275 -14.7275 -5.6948 -5.6948 -4.7279 -4.7279 -3.8586 -3.8586 -2.7725 -2.7725 -2.5013 -2.5013 -2.3879 -2.3879 -0.6801 -0.6801 -0.6613 -0.6613 0.0911 0.0911 0.4161 0.4161 0.4386 0.4386 0.9740 0.9740 1.2511 1.2511 1.3815 1.3815 1.6399 1.6399 1.6869 1.6869 1.9244 1.9244 2.3346 2.3346 11.4506 11.4506 11.9392 11.9392 12.1986 12.1986 12.3693 12.3693 12.7641 12.7641 k = 0.5000 0.2887 0.4545 ( 4148 PWs) bands (ev): -16.3488 -16.3488 -15.9082 -15.9082 -15.4560 -15.4560 -14.8193 -14.8193 -14.7482 -14.7482 -14.7275 -14.7275 -5.6948 -5.6948 -4.7279 -4.7279 -3.8586 -3.8586 -2.7725 -2.7725 -2.5013 -2.5013 -2.3879 -2.3879 -0.6801 -0.6801 -0.6613 -0.6613 0.0911 0.0911 0.4161 0.4161 0.4386 0.4386 0.9740 0.9740 1.2511 1.2511 1.3815 1.3815 1.6399 1.6399 1.6869 1.6869 1.9244 1.9244 2.3346 2.3346 11.4506 11.4506 11.9392 11.9392 12.1986 12.1986 12.3693 12.3693 12.7641 12.7641 k = 0.4924 0.3018 0.4545 ( 4148 PWs) bands (ev): -16.3487 -16.3486 -15.9078 -15.9077 -15.4566 -15.4564 -14.8194 -14.8193 -14.7484 -14.7482 -14.7278 -14.7277 -5.6936 -5.6934 -4.7287 -4.7284 -3.8598 -3.8595 -2.7717 -2.7716 -2.5016 -2.5015 -2.3882 -2.3881 -0.6839 -0.6815 -0.6593 -0.6568 0.0898 0.0899 0.4163 0.4164 0.4392 0.4396 0.9714 0.9720 1.2530 1.2538 1.3821 1.3826 1.6401 1.6404 1.6866 1.6869 1.9241 1.9242 2.3332 2.3336 11.4505 11.4511 11.9404 11.9412 12.1994 12.1995 12.3695 12.3697 12.7632 12.7636 k = 0.4848 0.3149 0.4545 ( 4156 PWs) bands (ev): -16.3483 -16.3482 -15.9066 -15.9064 -15.4580 -15.4578 -14.8194 -14.8192 -14.7486 -14.7483 -14.7284 -14.7282 -5.6898 -5.6895 -4.7309 -4.7302 -3.8629 -3.8623 -2.7695 -2.7693 -2.5024 -2.5022 -2.3889 -2.3887 -0.6896 -0.6864 -0.6522 -0.6489 0.0858 0.0862 0.4169 0.4172 0.4414 0.4421 0.9645 0.9657 1.2592 1.2606 1.3841 1.3851 1.6412 1.6418 1.6860 1.6865 1.9234 1.9237 2.3292 2.3301 11.4510 11.4521 11.9446 11.9461 12.2018 12.2020 12.3705 12.3708 12.7609 12.7616 k = 0.4773 0.3280 0.4545 ( 4152 PWs) bands (ev): -16.3476 -16.3475 -15.9046 -15.9043 -15.4603 -15.4600 -14.8193 -14.8191 -14.7489 -14.7485 -14.7294 -14.7291 -5.6834 -5.6829 -4.7343 -4.7334 -3.8679 -3.8671 -2.7657 -2.7654 -2.5036 -2.5033 -2.3900 -2.3897 -0.6954 -0.6921 -0.6429 -0.6395 0.0795 0.0800 0.4181 0.4184 0.4449 0.4460 0.9540 0.9556 1.2692 1.2712 1.3876 1.3892 1.6431 1.6440 1.6850 1.6858 1.9223 1.9227 2.3228 2.3241 11.4520 11.4537 11.9518 11.9541 12.2057 12.2060 12.3720 12.3725 12.7573 12.7583 k = 0.4697 0.3412 0.4545 ( 4148 PWs) bands (ev): -16.3467 -16.3465 -15.9017 -15.9013 -15.4636 -15.4632 -14.8193 -14.8190 -14.7493 -14.7488 -14.7308 -14.7304 -5.6744 -5.6739 -4.7392 -4.7379 -3.8747 -3.8736 -2.7605 -2.7602 -2.5053 -2.5049 -2.3915 -2.3911 -0.7009 -0.6977 -0.6324 -0.6290 0.0709 0.0714 0.4197 0.4202 0.4498 0.4512 0.9404 0.9425 1.2822 1.2846 1.3926 1.3947 1.6458 1.6471 1.6836 1.6847 1.9209 1.9214 2.3140 2.3157 11.4536 11.4557 11.9620 11.9649 12.2112 12.2116 12.3743 12.3750 12.7524 12.7538 k = 0.4621 0.3543 0.4545 ( 4148 PWs) bands (ev): -16.3455 -16.3454 -15.8980 -15.8974 -15.4678 -15.4673 -14.8193 -14.8188 -14.7499 -14.7492 -14.7324 -14.7320 -5.6630 -5.6623 -4.7455 -4.7440 -3.8829 -3.8817 -2.7541 -2.7537 -2.5074 -2.5070 -2.3934 -2.3929 -0.7060 -0.7030 -0.6208 -0.6175 0.0602 0.0608 0.4219 0.4225 0.4558 0.4574 0.9246 0.9269 1.2974 1.3003 1.3990 1.4015 1.6494 1.6509 1.6819 1.6832 1.9190 1.9197 2.3028 2.3049 11.4557 11.4583 11.9750 11.9786 12.2182 12.2188 12.3772 12.3781 12.7463 12.7480 k = 0.4545 0.3674 0.4545 ( 4152 PWs) bands (ev): -16.3442 -16.3440 -15.8933 -15.8927 -15.4730 -15.4723 -14.8192 -14.8187 -14.7505 -14.7497 -14.7344 -14.7339 -5.6491 -5.6482 -4.7533 -4.7515 -3.8925 -3.8911 -2.7465 -2.7461 -2.5099 -2.5095 -2.3957 -2.3951 -0.7108 -0.7080 -0.6081 -0.6049 0.0475 0.0482 0.4247 0.4253 0.4628 0.4645 0.9071 0.9097 1.3144 1.3176 1.4066 1.4096 1.6538 1.6556 1.6798 1.6814 1.9168 1.9176 2.2894 2.2920 11.4584 11.4614 11.9906 11.9948 12.2267 12.2273 12.3807 12.3818 12.7392 12.7411 k = 0.4470 0.3805 0.4545 ( 4148 PWs) bands (ev): -16.3426 -16.3424 -15.8878 -15.8871 -15.4791 -15.4783 -14.8191 -14.8186 -14.7511 -14.7503 -14.7366 -14.7360 -5.6327 -5.6318 -4.7628 -4.7608 -3.9032 -3.9015 -2.7379 -2.7374 -2.5128 -2.5123 -2.3982 -2.3975 -0.7152 -0.7126 -0.5944 -0.5915 0.0332 0.0338 0.4280 0.4288 0.4705 0.4724 0.8884 0.8911 1.3324 1.3359 1.4154 1.4188 1.6590 1.6610 1.6773 1.6792 1.9143 1.9153 2.2739 2.2768 11.4618 11.4651 12.0085 12.0133 12.2365 12.2373 12.3849 12.3863 12.7311 12.7334 k = 0.4394 0.3936 0.4545 ( 4144 PWs) bands (ev): -16.3409 -16.3407 -15.8814 -15.8806 -15.4862 -15.4853 -14.8191 -14.8184 -14.7519 -14.7509 -14.7389 -14.7382 -5.6141 -5.6130 -4.7740 -4.7718 -3.9146 -3.9128 -2.7285 -2.7279 -2.5161 -2.5156 -2.4011 -2.4003 -0.7194 -0.7170 -0.5797 -0.5770 0.0173 0.0178 0.4320 0.4329 0.4788 0.4808 0.8688 0.8717 1.3513 1.3550 1.4252 1.4291 1.6650 1.6673 1.6744 1.6766 1.9115 1.9127 2.2564 2.2597 11.4658 11.4693 12.0286 12.0339 12.2475 12.2484 12.3900 12.3917 12.7224 12.7249 k = 0.4318 0.4068 0.4545 ( 4144 PWs) bands (ev): -16.3391 -16.3389 -15.8741 -15.8732 -15.4942 -15.4933 -14.8190 -14.8184 -14.7527 -14.7516 -14.7414 -14.7406 -5.5931 -5.5919 -4.7871 -4.7847 -3.9264 -3.9245 -2.7184 -2.7178 -2.5198 -2.5192 -2.4042 -2.4033 -0.7232 -0.7210 -0.5640 -0.5616 0.0001 0.0005 0.4367 0.4377 0.4874 0.4895 0.8486 0.8517 1.3706 1.3745 1.4359 1.4402 1.6711 1.6715 1.6739 1.6743 1.9085 1.9099 2.2370 2.2408 11.4705 11.4742 12.0505 12.0563 12.2597 12.2607 12.3959 12.3979 12.7131 12.7158 k = 0.4242 0.4199 0.4545 ( 4148 PWs) bands (ev): -16.3372 -16.3370 -15.8658 -15.8649 -15.5033 -15.5023 -14.8190 -14.8183 -14.7536 -14.7524 -14.7439 -14.7430 -5.5699 -5.5686 -4.8022 -4.7996 -3.9384 -3.9364 -2.7077 -2.7071 -2.5237 -2.5231 -2.4074 -2.4065 -0.7267 -0.7248 -0.5474 -0.5453 -0.0184 -0.0181 0.4421 0.4432 0.4963 0.4984 0.8281 0.8312 1.3900 1.3941 1.4474 1.4521 1.6673 1.6700 1.6795 1.6820 1.9054 1.9070 2.2160 2.2202 11.4759 11.4796 12.0737 12.0799 12.2727 12.2739 12.4029 12.4053 12.7035 12.7063 k = 0.4167 0.4330 0.4545 ( 4148 PWs) bands (ev): -16.3353 -16.3350 -15.8566 -15.8555 -15.5134 -15.5123 -14.8190 -14.8183 -14.7545 -14.7532 -14.7464 -14.7454 -5.5446 -5.5431 -4.8194 -4.8167 -3.9503 -3.9483 -2.6967 -2.6961 -2.5280 -2.5273 -2.4108 -2.4099 -0.7300 -0.7283 -0.5298 -0.5280 -0.0380 -0.0378 0.4483 0.4495 0.5054 0.5075 0.8072 0.8105 1.4094 1.4136 1.4594 1.4645 1.6632 1.6661 1.6876 1.6903 1.9023 1.9041 2.1935 2.1981 11.4819 11.4857 12.0978 12.1043 12.2864 12.2878 12.4112 12.4141 12.6938 12.6968 k = 0.4091 0.4461 0.4545 ( 4148 PWs) bands (ev): -16.3334 -16.3331 -15.8463 -15.8453 -15.5245 -15.5233 -14.8191 -14.8183 -14.7555 -14.7540 -14.7487 -14.7477 -5.5173 -5.5157 -4.8388 -4.8359 -3.9617 -3.9598 -2.6855 -2.6848 -2.5325 -2.5318 -2.4143 -2.4134 -0.7331 -0.7316 -0.5114 -0.5099 -0.0585 -0.0585 0.4553 0.4567 0.5144 0.5164 0.7863 0.7896 1.4286 1.4329 1.4720 1.4772 1.6585 1.6618 1.6965 1.6991 1.8992 1.9014 2.1698 2.1747 11.4885 11.4922 12.1222 12.1291 12.3004 12.3020 12.4212 12.4245 12.6842 12.6874 k = 0.4015 0.4593 0.4545 ( 4150 PWs) bands (ev): -16.3315 -16.3312 -15.8351 -15.8340 -15.5366 -15.5354 -14.8192 -14.8184 -14.7564 -14.7549 -14.7510 -14.7499 -5.4880 -5.4863 -4.8604 -4.8575 -3.9726 -3.9706 -2.6742 -2.6735 -2.5372 -2.5365 -2.4178 -2.4169 -0.7360 -0.7347 -0.4921 -0.4909 -0.0801 -0.0799 0.4632 0.4647 0.5232 0.5253 0.7652 0.7686 1.4473 1.4517 1.4848 1.4903 1.6534 1.6570 1.7057 1.7083 1.8965 1.8989 2.1451 2.1503 11.4956 11.4992 12.1464 12.1535 12.3143 12.3161 12.4332 12.4370 12.6753 12.6786 k = 0.3939 0.4724 0.4545 ( 4142 PWs) bands (ev): -16.3296 -16.3294 -15.8229 -15.8217 -15.5497 -15.5485 -14.8193 -14.8186 -14.7574 -14.7558 -14.7530 -14.7518 -5.4569 -5.4551 -4.8844 -4.8814 -3.9826 -3.9807 -2.6629 -2.6623 -2.5421 -2.5415 -2.4213 -2.4203 -0.7386 -0.7375 -0.4721 -0.4712 -0.1024 -0.1020 0.4719 0.4736 0.5319 0.5339 0.7442 0.7476 1.4655 1.4698 1.4977 1.5034 1.6478 1.6518 1.7152 1.7176 1.8943 1.8971 2.1196 2.1252 11.5031 11.5065 12.1699 12.1771 12.3275 12.3295 12.4476 12.4517 12.6674 12.6708 k = 0.3864 0.4855 0.4545 ( 4150 PWs) bands (ev): -16.3279 -16.3277 -15.8096 -15.8084 -15.5638 -15.5625 -14.8195 -14.8188 -14.7585 -14.7567 -14.7548 -14.7534 -5.4241 -5.4222 -4.9106 -4.9077 -3.9916 -3.9898 -2.6518 -2.6512 -2.5472 -2.5466 -2.4246 -2.4237 -0.7410 -0.7401 -0.4513 -0.4508 -0.1253 -0.1247 0.4816 0.4834 0.5402 0.5421 0.7232 0.7267 1.4828 1.4871 1.5107 1.5165 1.6418 1.6461 1.7247 1.7268 1.8928 1.8961 2.0938 2.0996 11.5108 11.5139 12.1923 12.1994 12.3393 12.3416 12.4645 12.4691 12.6612 12.6646 k = 0.3788 0.4986 0.4545 ( 4154 PWs) bands (ev): -16.3263 -16.3261 -15.7954 -15.7941 -15.5789 -15.5776 -14.8197 -14.8191 -14.7595 -14.7577 -14.7563 -14.7548 -5.3897 -5.3877 -4.9393 -4.9363 -3.9994 -3.9979 -2.6411 -2.6405 -2.5524 -2.5519 -2.4277 -2.4269 -0.7431 -0.7425 -0.4299 -0.4297 -0.1487 -0.1480 0.4922 0.4942 0.5481 0.5500 0.7022 0.7058 1.4992 1.5033 1.5234 1.5293 1.6353 1.6399 1.7337 1.7355 1.8927 1.8964 2.0678 2.0738 11.5185 11.5213 12.2134 12.2202 12.3489 12.3514 12.4842 12.4891 12.6571 12.6606 k = 0.3712 0.5117 0.4545 ( 4146 PWs) bands (ev): -16.3249 -16.3247 -15.7801 -15.7788 -15.5949 -15.5937 -14.8199 -14.8194 -14.7604 -14.7585 -14.7575 -14.7559 -5.3538 -5.3517 -4.9702 -4.9673 -4.0060 -4.0047 -2.6307 -2.6301 -2.5578 -2.5575 -2.4306 -2.4298 -0.7450 -0.7445 -0.4080 -0.4079 -0.1725 -0.1715 0.5039 0.5060 0.5556 0.5573 0.6814 0.6849 1.5143 1.5181 1.5359 1.5419 1.6284 1.6334 1.7419 1.7433 1.8941 1.8983 2.0422 2.0484 11.5260 11.5284 12.2330 12.2395 12.3555 12.3582 12.5066 12.5116 12.6559 12.6594 k = 0.3636 0.5249 0.4545 ( 4148 PWs) bands (ev): -16.3237 -16.3236 -15.7638 -15.7625 -15.6119 -15.6107 -14.8202 -14.8197 -14.7612 -14.7593 -14.7585 -14.7567 -5.3165 -5.3144 -5.0033 -5.0005 -4.0114 -4.0103 -2.6208 -2.6203 -2.5634 -2.5632 -2.4331 -2.4324 -0.7466 -0.7463 -0.3858 -0.3854 -0.1965 -0.1954 0.5165 0.5188 0.5624 0.5641 0.6605 0.6641 1.5280 1.5312 1.5478 1.5539 1.6211 1.6264 1.7487 1.7497 1.8977 1.9024 2.0174 2.0236 11.5329 11.5349 12.2516 12.2575 12.3581 12.3609 12.5313 12.5364 12.6577 12.6612 k = 0.3561 0.5380 0.4545 ( 4152 PWs) bands (ev): -16.3227 -16.3226 -15.7465 -15.7452 -15.6298 -15.6286 -14.8204 -14.8200 -14.7619 -14.7598 -14.7592 -14.7573 -5.2780 -5.2758 -5.0386 -5.0359 -4.0155 -4.0147 -2.6115 -2.6110 -2.5692 -2.5691 -2.4351 -2.4346 -0.7480 -0.7477 -0.3632 -0.3626 -0.2207 -0.2193 0.5301 0.5326 0.5687 0.5702 0.6398 0.6434 1.5397 1.5422 1.5590 1.5654 1.6134 1.6191 1.7539 1.7545 1.9038 1.9088 1.9939 2.0000 11.5390 11.5405 12.2693 12.2746 12.3563 12.3592 12.5578 12.5631 12.6621 12.6655 k = 0.3485 0.5511 0.4545 ( 4158 PWs) bands (ev): -16.3220 -16.3219 -15.7281 -15.7269 -15.6486 -15.6473 -14.8206 -14.8203 -14.7624 -14.7602 -14.7598 -14.7578 -5.2384 -5.2361 -5.0759 -5.0734 -4.0183 -4.0177 -2.6029 -2.6025 -2.5751 -2.5751 -2.4367 -2.4363 -0.7489 -0.7488 -0.3404 -0.3395 -0.2448 -0.2432 0.5447 0.5473 0.5742 0.5757 0.6191 0.6227 1.5491 1.5506 1.5694 1.5761 1.6056 1.6114 1.7572 1.7575 1.9124 1.9177 1.9724 1.9782 11.5438 11.5449 12.2867 12.2913 12.3496 12.3526 12.5856 12.5910 12.6666 12.6700 k = 0.3409 0.5642 0.4545 ( 4158 PWs) bands (ev): -16.3216 -16.3215 -15.7089 -15.7076 -15.6682 -15.6669 -14.8207 -14.8205 -14.7626 -14.7604 -14.7602 -14.7581 -5.1978 -5.1954 -5.1151 -5.1127 -4.0199 -4.0196 -2.5951 -2.5948 -2.5814 -2.5811 -2.4376 -2.4374 -0.7495 -0.7494 -0.3175 -0.3166 -0.2686 -0.2666 0.5602 0.5630 0.5789 0.5803 0.5986 0.6022 1.5554 1.5559 1.5786 1.5860 1.5980 1.6034 1.7590 1.7591 1.9234 1.9290 1.9536 1.9588 11.5471 11.5476 12.3043 12.3080 12.3382 12.3415 12.6138 12.6196 12.6648 12.6683 k = 0.3333 0.5774 0.4545 ( 4158 PWs) bands (ev): -16.3214 -16.3214 -15.6899 -15.6874 -15.6872 -15.6872 -14.8206 -14.8206 -14.7627 -14.7604 -14.7604 -14.7582 -5.1586 -5.1539 -5.1539 -5.1539 -4.0203 -4.0203 -2.5893 -2.5893 -2.5867 -2.5859 -2.4379 -2.4379 -0.7497 -0.7497 -0.2995 -0.2995 -0.2869 -0.2837 0.5743 0.5794 0.5796 0.5796 0.5850 0.5850 1.5577 1.5577 1.5837 1.5936 1.5936 1.5962 1.7595 1.7595 1.9333 1.9414 1.9414 1.9433 11.5484 11.5484 12.3217 12.3229 12.3229 12.3281 12.6362 12.6459 12.6521 12.6521 k = 0.3333 0.5774 0.4545 ( 4158 PWs) bands (ev): -16.3214 -16.3214 -15.6899 -15.6874 -15.6872 -15.6872 -14.8206 -14.8206 -14.7627 -14.7604 -14.7604 -14.7582 -5.1586 -5.1539 -5.1539 -5.1539 -4.0203 -4.0203 -2.5893 -2.5893 -2.5867 -2.5859 -2.4379 -2.4379 -0.7497 -0.7497 -0.2995 -0.2995 -0.2869 -0.2837 0.5743 0.5794 0.5796 0.5796 0.5850 0.5850 1.5577 1.5577 1.5837 1.5936 1.5936 1.5962 1.7595 1.7595 1.9333 1.9414 1.9414 1.9433 11.5484 11.5484 12.3217 12.3229 12.3229 12.3281 12.6362 12.6459 12.6521 12.6521 k = 0.3256 0.5639 0.4545 ( 4158 PWs) bands (ev): -16.3216 -16.3215 -15.7102 -15.7089 -15.6668 -15.6656 -14.8206 -14.8205 -14.7626 -14.7604 -14.7602 -14.7581 -5.1999 -5.1976 -5.1129 -5.1106 -4.0199 -4.0196 -2.5951 -2.5945 -2.5817 -2.5812 -2.4376 -2.4374 -0.7495 -0.7494 -0.3181 -0.3167 -0.2683 -0.2660 0.5561 0.5597 0.5867 0.5871 0.5957 0.5979 1.5553 1.5556 1.5792 1.5854 1.5982 1.6028 1.7592 1.7592 1.9244 1.9292 1.9536 1.9578 11.5469 11.5475 12.3015 12.3047 12.3415 12.3442 12.6060 12.6117 12.6749 12.6790 k = 0.3178 0.5505 0.4545 ( 4166 PWs) bands (ev): -16.3221 -16.3220 -15.7324 -15.7312 -15.6442 -15.6430 -14.8205 -14.8202 -14.7624 -14.7601 -14.7599 -14.7578 -5.2451 -5.2430 -5.0691 -5.0667 -4.0184 -4.0178 -2.6022 -2.6013 -2.5766 -2.5762 -2.4364 -2.4360 -0.7488 -0.7486 -0.3411 -0.3394 -0.2445 -0.2423 0.5350 0.5384 0.5891 0.5897 0.6143 0.6167 1.5480 1.5496 1.5720 1.5753 1.6042 1.6091 1.7588 1.7589 1.9167 1.9203 1.9704 1.9746 11.5428 11.5439 12.2762 12.2798 12.3615 12.3635 12.5610 12.5664 12.7040 12.7087 k = 0.3101 0.5371 0.4545 ( 4170 PWs) bands (ev): -16.3229 -16.3228 -15.7552 -15.7540 -15.6207 -15.6195 -14.8202 -14.8198 -14.7620 -14.7597 -14.7595 -14.7572 -5.2917 -5.2897 -5.0247 -5.0223 -4.0159 -4.0150 -2.6096 -2.6085 -2.5726 -2.5723 -2.4344 -2.4338 -0.7474 -0.7473 -0.3637 -0.3618 -0.2206 -0.2183 0.5137 0.5171 0.5907 0.5911 0.6340 0.6365 1.5368 1.5398 1.5637 1.5642 1.6089 1.6135 1.7589 1.7591 1.9131 1.9156 1.9884 1.9925 11.5359 11.5374 12.2462 12.2503 12.3823 12.3837 12.5133 12.5188 12.7332 12.7382 k = 0.3023 0.5236 0.4545 ( 4166 PWs) bands (ev): -16.3240 -16.3238 -15.7786 -15.7774 -15.5963 -15.5951 -14.8197 -14.8191 -14.7615 -14.7591 -14.7589 -14.7564 -5.3394 -5.3376 -4.9799 -4.9775 -4.0125 -4.0113 -2.6173 -2.6159 -2.5697 -2.5695 -2.4315 -2.4307 -0.7455 -0.7453 -0.3855 -0.3834 -0.1966 -0.1942 0.4922 0.4955 0.5915 0.5917 0.6545 0.6569 1.5224 1.5260 1.5528 1.5540 1.6117 1.6159 1.7600 1.7603 1.9135 1.9149 2.0072 2.0110 11.5260 11.5279 12.2114 12.2157 12.4033 12.4044 12.4660 12.4717 12.7623 12.7675 k = 0.2946 0.5102 0.4545 ( 4168 PWs) bands (ev): -16.3255 -16.3252 -15.8024 -15.8013 -15.5711 -15.5700 -14.8190 -14.8183 -14.7609 -14.7583 -14.7583 -14.7555 -5.3883 -5.3866 -4.9348 -4.9324 -4.0082 -4.0067 -2.6254 -2.6237 -2.5681 -2.5680 -2.4277 -2.4266 -0.7429 -0.7426 -0.4062 -0.4040 -0.1728 -0.1704 0.4707 0.4739 0.5914 0.5915 0.6757 0.6780 1.5053 1.5085 1.5414 1.5433 1.6124 1.6160 1.7625 1.7629 1.9173 1.9177 2.0265 2.0300 11.5131 11.5154 12.1712 12.1758 12.4192 12.4214 12.4266 12.4296 12.7915 12.7969 k = 0.2868 0.4968 0.4545 ( 4160 PWs) bands (ev): -16.3272 -16.3269 -15.8266 -15.8256 -15.5451 -15.5440 -14.8181 -14.8173 -14.7601 -14.7574 -14.7573 -14.7544 -5.4381 -5.4365 -4.8895 -4.8872 -4.0032 -4.0013 -2.6337 -2.6317 -2.5679 -2.5678 -2.4228 -2.4216 -0.7395 -0.7392 -0.4256 -0.4234 -0.1493 -0.1467 0.4489 0.4520 0.5904 0.5905 0.6975 0.6996 1.4856 1.4879 1.5301 1.5320 1.6108 1.6139 1.7666 1.7672 1.9236 1.9240 2.0460 2.0493 11.4972 11.4998 12.1257 12.1304 12.3783 12.3838 12.4453 12.4455 12.8210 12.8267 k = 0.2791 0.4834 0.4545 ( 4164 PWs) bands (ev): -16.3293 -16.3289 -15.8512 -15.8502 -15.5184 -15.5174 -14.8171 -14.8161 -14.7591 -14.7564 -14.7562 -14.7532 -5.4886 -5.4872 -4.8443 -4.8419 -3.9974 -3.9953 -2.6423 -2.6401 -2.5690 -2.5690 -2.4171 -2.4157 -0.7354 -0.7351 -0.4437 -0.4415 -0.1259 -0.1234 0.4271 0.4300 0.5886 0.5888 0.7197 0.7216 1.4637 1.4650 1.5187 1.5203 1.6073 1.6096 1.7725 1.7732 1.9319 1.9329 2.0655 2.0686 11.4783 11.4812 12.0750 12.0798 12.3397 12.3452 12.4640 12.4642 12.8513 12.8573 k = 0.2713 0.4699 0.4545 ( 4158 PWs) bands (ev): -16.3316 -16.3312 -15.8759 -15.8750 -15.4911 -15.4901 -14.8158 -14.8147 -14.7580 -14.7553 -14.7551 -14.7520 -5.5398 -5.5385 -4.7990 -4.7967 -3.9910 -3.9886 -2.6512 -2.6488 -2.5716 -2.5715 -2.4103 -2.4088 -0.7305 -0.7301 -0.4603 -0.4580 -0.1029 -0.1004 0.4051 0.4079 0.5860 0.5864 0.7421 0.7437 1.4401 1.4404 1.5072 1.5083 1.6018 1.6036 1.7799 1.7807 1.9420 1.9435 2.0850 2.0878 11.4566 11.4597 12.0199 12.0245 12.3046 12.3098 12.4807 12.4807 12.8829 12.8891 k = 0.2636 0.4565 0.4545 ( 4158 PWs) bands (ev): -16.3342 -16.3338 -15.9009 -15.9000 -15.4632 -15.4622 -14.8144 -14.8131 -14.7566 -14.7540 -14.7538 -14.7506 -5.5915 -5.5903 -4.7539 -4.7517 -3.9841 -3.9814 -2.6604 -2.6577 -2.5757 -2.5755 -2.4027 -2.4010 -0.7247 -0.7243 -0.4752 -0.4729 -0.0802 -0.0777 0.3829 0.3856 0.5827 0.5834 0.7646 0.7658 1.4147 1.4153 1.4953 1.4961 1.5949 1.5960 1.7888 1.7896 1.9536 1.9555 2.1043 2.1068 11.4322 11.4354 11.9611 11.9655 12.2724 12.2773 12.4944 12.4945 12.9161 12.9224 k = 0.2558 0.4431 0.4545 ( 4154 PWs) bands (ev): -16.3371 -16.3366 -15.9259 -15.9250 -15.4348 -15.4338 -14.8128 -14.8113 -14.7552 -14.7525 -14.7525 -14.7492 -5.6435 -5.6424 -4.7091 -4.7069 -3.9767 -3.9737 -2.6699 -2.6670 -2.5813 -2.5810 -2.3942 -2.3923 -0.7179 -0.7175 -0.4882 -0.4859 -0.0578 -0.0554 0.3607 0.3632 0.5789 0.5797 0.7868 0.7877 1.3882 1.3895 1.4832 1.4836 1.5867 1.5873 1.7990 1.7998 1.9663 1.9686 2.1233 2.1256 11.4053 11.4086 11.8995 11.9036 12.2428 12.2473 12.5050 12.5051 12.9506 12.9575 k = 0.2481 0.4297 0.4545 ( 4156 PWs) bands (ev): -16.3402 -16.3397 -15.9509 -15.9501 -15.4059 -15.4050 -14.8110 -14.8094 -14.7535 -14.7511 -14.7508 -14.7478 -5.6958 -5.6948 -4.6645 -4.6624 -3.9688 -3.9656 -2.6797 -2.6767 -2.5884 -2.5880 -2.3848 -2.3829 -0.7102 -0.7098 -0.4993 -0.4970 -0.0358 -0.0335 0.3383 0.3407 0.5744 0.5754 0.8087 0.8090 1.3613 1.3632 1.4707 1.4707 1.5775 1.5776 1.8103 1.8111 1.9798 1.9823 2.1419 2.1440 11.3760 11.3794 11.8359 11.8397 12.2152 12.2192 12.5120 12.5121 12.9516 12.9528 k = 0.2403 0.4162 0.4545 ( 4144 PWs) bands (ev): -16.3435 -16.3430 -15.9759 -15.9751 -15.3766 -15.3758 -14.8091 -14.8073 -14.7517 -14.7497 -14.7490 -14.7463 -5.7481 -5.7472 -4.6204 -4.6184 -3.9605 -3.9570 -2.6899 -2.6866 -2.5970 -2.5965 -2.3747 -2.3727 -0.7015 -0.7010 -0.5084 -0.5061 -0.0142 -0.0120 0.3160 0.3182 0.5695 0.5706 0.8297 0.8298 1.3341 1.3365 1.4575 1.4579 1.5672 1.5676 1.8227 1.8234 1.9940 1.9966 2.1600 2.1619 11.3446 11.3480 11.7709 11.7745 12.1892 12.1929 12.5157 12.5158 12.9303 12.9310 k = 0.2326 0.4028 0.4545 ( 4144 PWs) bands (ev): -16.3470 -16.3465 -16.0007 -16.0000 -15.3470 -15.3462 -14.8070 -14.8052 -14.7498 -14.7482 -14.7470 -14.7449 -5.8004 -5.7996 -4.5767 -4.5748 -3.9519 -3.9482 -2.7004 -2.6969 -2.6071 -2.6065 -2.3639 -2.3618 -0.6918 -0.6913 -0.5154 -0.5132 0.0071 0.0092 0.2936 0.2957 0.5641 0.5654 0.8494 0.8501 1.3069 1.3097 1.4439 1.4445 1.5563 1.5572 1.8360 1.8366 2.0086 2.0113 2.1776 2.1793 11.3113 11.3147 11.7050 11.7085 12.1647 12.1678 12.5161 12.5163 12.8973 12.9001 k = 0.2248 0.3894 0.4545 ( 4152 PWs) bands (ev): -16.3508 -16.3502 -16.0254 -16.0247 -15.3172 -15.3164 -14.8049 -14.8028 -14.7480 -14.7465 -14.7449 -14.7434 -5.8526 -5.8518 -4.5336 -4.5318 -3.9429 -3.9390 -2.7112 -2.7076 -2.6187 -2.6179 -2.3525 -2.3504 -0.6810 -0.6804 -0.5202 -0.5180 0.0281 0.0300 0.2713 0.2733 0.5583 0.5597 0.8678 0.8691 1.2797 1.2829 1.4298 1.4307 1.5451 1.5464 1.8503 1.8508 2.0235 2.0263 2.1946 2.1962 11.2763 11.2796 11.6388 11.6421 12.1412 12.1439 12.5138 12.5139 12.8584 12.8629 k = 0.2171 0.3759 0.4545 ( 4160 PWs) bands (ev): -16.3547 -16.3541 -16.0498 -16.0491 -15.2872 -15.2865 -14.8026 -14.8004 -14.7463 -14.7445 -14.7428 -14.7417 -5.9045 -5.9038 -4.4910 -4.4893 -3.9338 -3.9296 -2.7223 -2.7186 -2.6316 -2.6308 -2.3406 -2.3384 -0.6691 -0.6685 -0.5228 -0.5207 0.0487 0.0504 0.2492 0.2510 0.5522 0.5537 0.8848 0.8867 1.2528 1.2563 1.4151 1.4163 1.5336 1.5355 1.8655 1.8659 2.0386 2.0414 2.2111 2.2126 11.2399 11.2431 11.5726 11.5757 12.1186 12.1209 12.5089 12.5091 12.8164 12.8225 k = 0.2093 0.3625 0.4545 ( 4160 PWs) bands (ev): -16.3587 -16.3581 -16.0739 -16.0732 -15.2572 -15.2565 -14.8002 -14.7979 -14.7448 -14.7422 -14.7410 -14.7397 -5.9560 -5.9554 -4.4490 -4.4475 -3.9244 -3.9200 -2.7338 -2.7299 -2.6459 -2.6449 -2.3282 -2.3260 -0.6561 -0.6554 -0.5232 -0.5211 0.0691 0.0706 0.2272 0.2289 0.5458 0.5474 0.9000 0.9026 1.2262 1.2300 1.3999 1.4013 1.5222 1.5244 1.8817 1.8820 2.0538 2.0566 2.2269 2.2283 11.2023 11.2054 11.5067 11.5097 12.0967 12.0986 12.5021 12.5024 12.7732 12.7808 k = 0.2016 0.3491 0.4545 ( 4160 PWs) bands (ev): -16.3628 -16.3622 -16.0976 -16.0970 -15.2271 -15.2264 -14.7977 -14.7953 -14.7434 -14.7398 -14.7394 -14.7374 -6.0070 -6.0065 -4.4077 -4.4063 -3.9147 -3.9102 -2.7457 -2.7417 -2.6615 -2.6603 -2.3154 -2.3132 -0.6420 -0.6412 -0.5214 -0.5194 0.0891 0.0904 0.2056 0.2071 0.5391 0.5408 0.9133 0.9166 1.1999 1.2040 1.3841 1.3858 1.5107 1.5134 1.8987 1.8989 2.0690 2.0718 2.2421 2.2434 11.1637 11.1667 11.4414 11.4443 12.0754 12.0768 12.4938 12.4940 12.7301 12.7389 k = 0.1938 0.3357 0.4545 ( 4156 PWs) bands (ev): -16.3670 -16.3665 -16.1208 -16.1203 -15.1971 -15.1965 -14.7952 -14.7927 -14.7421 -14.7380 -14.7371 -14.7348 -6.0574 -6.0569 -4.3670 -4.3658 -3.9050 -3.9003 -2.7579 -2.7537 -2.6782 -2.6769 -2.3024 -2.3003 -0.6267 -0.6259 -0.5174 -0.5154 0.1089 0.1100 0.1842 0.1856 0.5323 0.5339 0.9244 0.9284 1.1741 1.1785 1.3678 1.3697 1.4994 1.5025 1.9166 1.9167 2.0842 2.0869 2.2566 2.2579 11.1243 11.1272 11.3770 11.3797 12.0544 12.0553 12.4842 12.4844 12.6879 12.6977 k = 0.1860 0.3222 0.4545 ( 4154 PWs) bands (ev): -16.3713 -16.3708 -16.1436 -16.1431 -15.1673 -15.1667 -14.7926 -14.7900 -14.7408 -14.7367 -14.7344 -14.7321 -6.1071 -6.1066 -4.3271 -4.3260 -3.8951 -3.8903 -2.7704 -2.7662 -2.6960 -2.6945 -2.2892 -2.2871 -0.6104 -0.6095 -0.5114 -0.5095 0.1284 0.1293 0.1633 0.1646 0.5253 0.5269 0.9331 0.9379 1.1489 1.1534 1.3508 1.3529 1.4883 1.4918 1.9353 1.9354 2.0992 2.1018 2.2706 2.2718 11.0845 11.0873 11.3136 11.3163 12.0334 12.0339 12.4738 12.4739 12.6470 12.6578 k = 0.1783 0.3088 0.4545 ( 4150 PWs) bands (ev): -16.3757 -16.3751 -16.1658 -16.1653 -15.1377 -15.1372 -14.7900 -14.7873 -14.7395 -14.7354 -14.7316 -14.7294 -6.1559 -6.1555 -4.2879 -4.2869 -3.8851 -3.8801 -2.7833 -2.7790 -2.7147 -2.7130 -2.2760 -2.2739 -0.5930 -0.5920 -0.5033 -0.5014 0.1425 0.1431 0.1486 0.1487 0.5182 0.5198 0.9395 0.9449 1.1242 1.1290 1.3331 1.3355 1.4774 1.4813 1.9548 1.9549 2.1141 2.1166 2.2838 2.2851 11.0445 11.0471 11.2515 11.2541 12.0124 12.0124 12.4628 12.4629 12.6082 12.6198 k = 0.1705 0.2954 0.4545 ( 4154 PWs) bands (ev): -16.3801 -16.3795 -16.1874 -16.1869 -15.1085 -15.1080 -14.7873 -14.7845 -14.7384 -14.7342 -14.7287 -14.7266 -6.2037 -6.2033 -4.2494 -4.2486 -3.8750 -3.8699 -2.7966 -2.7923 -2.7341 -2.7323 -2.2628 -2.2608 -0.5745 -0.5736 -0.4933 -0.4915 0.1229 0.1237 0.1671 0.1673 0.5110 0.5126 0.9433 0.9493 1.1001 1.1052 1.3149 1.3175 1.4669 1.4711 1.9750 1.9751 2.1287 2.1311 2.2964 2.2977 11.0045 11.0070 11.1910 11.1935 11.9906 11.9911 12.4514 12.4515 12.5716 12.5839 k = 0.1628 0.2820 0.4545 ( 4146 PWs) bands (ev): -16.3844 -16.3839 -16.2084 -16.2079 -15.0797 -15.0792 -14.7847 -14.7818 -14.7372 -14.7331 -14.7258 -14.7237 -6.2505 -6.2501 -4.2117 -4.2111 -3.8649 -3.8597 -2.8103 -2.8059 -2.7542 -2.7523 -2.2497 -2.2477 -0.5551 -0.5541 -0.4815 -0.4799 0.1036 0.1043 0.1861 0.1861 0.5039 0.5054 0.9446 0.9512 1.0767 1.0820 1.2961 1.2990 1.4566 1.4611 1.9958 1.9959 2.1430 2.1453 2.3084 2.3097 10.9647 10.9670 11.1320 11.1344 11.9684 11.9693 12.4398 12.4400 12.5377 12.5505 k = 0.1550 0.2685 0.4545 ( 4146 PWs) bands (ev): -16.3888 -16.3882 -16.2286 -16.2283 -15.0515 -15.0510 -14.7820 -14.7790 -14.7362 -14.7320 -14.7229 -14.7208 -6.2960 -6.2957 -4.1748 -4.1744 -3.8548 -3.8495 -2.8243 -2.8198 -2.7748 -2.7728 -2.2368 -2.2349 -0.5349 -0.5338 -0.4681 -0.4665 0.0849 0.0855 0.2046 0.2049 0.4969 0.4983 0.9435 0.9505 1.0540 1.0595 1.2767 1.2799 1.4466 1.4513 2.0171 2.0173 2.1570 2.1592 2.3198 2.3212 10.9253 10.9276 11.0749 11.0772 11.9458 11.9470 12.4281 12.4286 12.5067 12.5198 k = 0.1473 0.2551 0.4545 ( 4146 PWs) bands (ev): -16.3931 -16.3925 -16.2482 -16.2478 -15.0238 -15.0234 -14.7794 -14.7763 -14.7352 -14.7310 -14.7199 -14.7180 -6.3403 -6.3400 -4.1388 -4.1385 -3.8447 -3.8393 -2.8386 -2.8341 -2.7958 -2.7936 -2.2241 -2.2223 -0.5138 -0.5126 -0.4532 -0.4518 0.0669 0.0674 0.2230 0.2236 0.4900 0.4913 0.9399 0.9474 1.0319 1.0377 1.2569 1.2603 1.4369 1.4418 2.0388 2.0391 2.1706 2.1727 2.3305 2.3320 10.8866 10.8887 11.0197 11.0220 11.9225 11.9241 12.4164 12.4173 12.4787 12.4918 k = 0.1395 0.2417 0.4545 ( 4154 PWs) bands (ev): -16.3973 -16.3968 -16.2670 -16.2666 -14.9969 -14.9965 -14.7767 -14.7736 -14.7343 -14.7300 -14.7170 -14.7151 -6.3831 -6.3828 -4.1035 -4.1034 -3.8346 -3.8292 -2.8532 -2.8488 -2.8169 -2.8146 -2.2118 -2.2101 -0.4920 -0.4908 -0.4371 -0.4357 0.0497 0.0500 0.2413 0.2422 0.4835 0.4846 0.9341 0.9419 1.0105 1.0165 1.2367 1.2404 1.4275 1.4324 2.0606 2.0611 2.1838 2.1857 2.3407 2.3423 10.8488 10.8508 10.9666 10.9688 11.8988 11.9006 12.4048 12.4062 12.4537 12.4666 k = 0.1318 0.2283 0.4545 ( 4154 PWs) bands (ev): -16.4014 -16.4009 -16.2849 -16.2846 -14.9708 -14.9704 -14.7741 -14.7709 -14.7334 -14.7292 -14.7141 -14.7123 -6.4244 -6.4241 -4.0692 -4.0692 -3.8246 -3.8192 -2.8682 -2.8638 -2.8381 -2.8356 -2.1999 -2.1983 -0.4697 -0.4684 -0.4198 -0.4186 0.0333 0.0335 0.2595 0.2606 0.4773 0.4782 0.9262 0.9341 0.9897 0.9959 1.2162 1.2202 1.4182 1.4232 2.0825 2.0831 2.1965 2.1983 2.3502 2.3520 10.8121 10.8139 10.9158 10.9179 11.8747 11.8767 12.3934 12.3955 12.4318 12.4440 k = 0.1240 0.2148 0.4545 ( 4154 PWs) bands (ev): -16.4055 -16.4050 -16.3021 -16.3018 -14.9455 -14.9452 -14.7716 -14.7683 -14.7326 -14.7284 -14.7113 -14.7096 -6.4640 -6.4638 -4.0360 -4.0357 -3.8147 -3.8093 -2.8833 -2.8790 -2.8591 -2.8566 -2.1884 -2.1869 -0.4469 -0.4456 -0.4017 -0.4006 0.0177 0.0178 0.2775 0.2790 0.4716 0.4723 0.9163 0.9244 0.9694 0.9759 1.1956 1.1998 1.4091 1.4141 2.1043 2.1051 2.2088 2.2104 2.3592 2.3611 10.7765 10.7783 10.8673 10.8693 11.8504 11.8525 12.3822 12.3851 12.4128 12.4240 k = 0.1163 0.2014 0.4545 ( 4158 PWs) bands (ev): -16.4093 -16.4089 -16.3183 -16.3180 -14.9213 -14.9209 -14.7691 -14.7658 -14.7319 -14.7277 -14.7085 -14.7069 -6.5019 -6.5017 -4.0036 -4.0033 -3.8049 -3.7995 -2.8987 -2.8945 -2.8798 -2.8773 -2.1775 -2.1761 -0.4239 -0.4226 -0.3829 -0.3820 0.0029 0.0030 0.2954 0.2972 0.4666 0.4671 0.9047 0.9128 0.9497 0.9563 1.1750 1.1795 1.4002 1.4051 2.1256 2.1267 2.2204 2.2219 2.3677 2.3697 10.7424 10.7440 10.8212 10.8231 11.8260 11.8281 12.3712 12.3752 12.3965 12.4064 k = 0.1085 0.1880 0.4545 ( 4160 PWs) bands (ev): -16.4131 -16.4126 -16.3336 -16.3334 -14.8981 -14.8978 -14.7667 -14.7633 -14.7313 -14.7272 -14.7058 -14.7043 -6.5379 -6.5377 -3.9723 -3.9718 -3.7953 -3.7900 -2.9143 -2.9103 -2.9000 -2.8975 -2.1671 -2.1658 -0.4008 -0.3995 -0.3638 -0.3630 -0.0110 -0.0109 0.3133 0.3153 0.4624 0.4626 0.8916 0.8997 0.9303 0.9370 1.1546 1.1594 1.3913 1.3962 2.1465 2.1479 2.2315 2.2328 2.3756 2.3778 10.7098 10.7113 10.7777 10.7796 11.8019 11.8039 12.3605 12.3658 12.3827 12.3909 k = 0.1008 0.1745 0.4545 ( 4156 PWs) bands (ev): -16.4166 -16.4162 -16.3480 -16.3478 -14.8760 -14.8758 -14.7643 -14.7610 -14.7308 -14.7267 -14.7032 -14.7018 -6.5719 -6.5718 -3.9421 -3.9414 -3.7860 -3.7808 -2.9299 -2.9264 -2.9193 -2.9172 -2.1573 -2.1561 -0.3778 -0.3765 -0.3445 -0.3438 -0.0241 -0.0238 0.3310 0.3333 0.4591 0.4592 0.8773 0.8851 0.9112 0.9179 1.1347 1.1396 1.3827 1.3874 2.1667 2.1683 2.2420 2.2432 2.3830 2.3853 10.6789 10.6803 10.7369 10.7386 11.7782 11.7801 12.3504 12.3568 12.3708 12.3774 k = 0.0930 0.1611 0.4545 ( 4152 PWs) bands (ev): -16.4200 -16.4196 -16.3615 -16.3613 -14.8553 -14.8550 -14.7620 -14.7587 -14.7303 -14.7262 -14.7007 -14.6994 -6.6039 -6.6038 -3.9130 -3.9122 -3.7769 -3.7718 -2.9456 -2.9430 -2.9374 -2.9361 -2.1481 -2.1470 -0.3551 -0.3538 -0.3253 -0.3248 -0.0362 -0.0358 0.3485 0.3512 0.4566 0.4571 0.8618 0.8694 0.8922 0.8989 1.1155 1.1205 1.3742 1.3787 2.1861 2.1879 2.2519 2.2529 2.3899 2.3924 10.6499 10.6511 10.6988 10.7004 11.7552 11.7570 12.3409 12.3484 12.3606 12.3655 k = 0.0853 0.1477 0.4545 ( 4160 PWs) bands (ev): -16.4232 -16.4228 -16.3739 -16.3737 -14.8358 -14.8356 -14.7598 -14.7565 -14.7299 -14.7259 -14.6984 -14.6972 -6.6338 -6.6336 -3.8852 -3.8843 -3.7681 -3.7633 -2.9613 -2.9601 -2.9541 -2.9540 -2.1396 -2.1386 -0.3329 -0.3316 -0.3065 -0.3062 -0.0473 -0.0468 0.3659 0.3689 0.4554 0.4562 0.8455 0.8528 0.8733 0.8799 1.0971 1.1022 1.3659 1.3702 2.2044 2.2065 2.2611 2.2619 2.3963 2.3989 10.6227 10.6239 10.6634 10.6650 11.7332 11.7349 12.3324 12.3404 12.3516 12.3551 k = 0.0775 0.1343 0.4545 ( 4168 PWs) bands (ev): -16.4261 -16.4258 -16.3854 -16.3852 -14.8178 -14.8176 -14.7577 -14.7545 -14.7295 -14.7257 -14.6962 -14.6951 -6.6613 -6.6612 -3.8588 -3.8578 -3.7597 -3.7551 -2.9768 -2.9768 -2.9708 -2.9699 -2.1318 -2.1309 -0.3115 -0.3103 -0.2883 -0.2882 -0.0575 -0.0569 0.3830 0.3863 0.4555 0.4567 0.8285 0.8355 0.8542 0.8606 1.0799 1.0850 1.3578 1.3619 2.2215 2.2239 2.2696 2.2703 2.4022 2.4050 10.5976 10.5986 10.6310 10.6324 11.7123 11.7139 12.3247 12.3330 12.3437 12.3461 k = 0.0698 0.1208 0.4545 ( 4172 PWs) bands (ev): -16.4288 -16.4285 -16.3958 -16.3956 -14.8012 -14.8010 -14.7557 -14.7526 -14.7292 -14.7256 -14.6942 -14.6932 -6.6866 -6.6865 -3.8339 -3.8329 -3.7518 -3.7475 -2.9928 -2.9920 -2.9865 -2.9848 -2.1246 -2.1239 -0.2910 -0.2899 -0.2712 -0.2711 -0.0667 -0.0661 0.3999 0.4035 0.4571 0.4586 0.8112 0.8177 0.8352 0.8412 1.0641 1.0690 1.3501 1.3539 2.2373 2.2399 2.2775 2.2779 2.4077 2.4105 10.5747 10.5756 10.6015 10.6027 11.6929 11.6943 12.3180 12.3262 12.3367 12.3383 k = 0.0620 0.1074 0.4545 ( 4170 PWs) bands (ev): -16.4313 -16.4310 -16.4051 -16.4050 -14.7863 -14.7861 -14.7538 -14.7508 -14.7290 -14.7255 -14.6923 -14.6914 -6.7094 -6.7093 -3.8107 -3.8097 -3.7444 -3.7404 -3.0076 -3.0065 -3.0009 -2.9991 -2.1182 -2.1175 -0.2719 -0.2709 -0.2553 -0.2550 -0.0750 -0.0742 0.4164 0.4203 0.4603 0.4621 0.7937 0.7997 0.8161 0.8217 1.0498 1.0545 1.3429 1.3463 2.2517 2.2544 2.2846 2.2849 2.4127 2.4155 10.5539 10.5547 10.5749 10.5761 11.6750 11.6762 12.3121 12.3199 12.3305 12.3315 k = 0.0543 0.0940 0.4545 ( 4176 PWs) bands (ev): -16.4335 -16.4332 -16.4134 -16.4133 -14.7730 -14.7727 -14.7519 -14.7492 -14.7288 -14.7256 -14.6906 -14.6898 -6.7297 -6.7296 -3.7894 -3.7884 -3.7376 -3.7339 -3.0211 -3.0200 -3.0142 -3.0124 -2.1125 -2.1119 -0.2542 -0.2533 -0.2408 -0.2403 -0.0823 -0.0815 0.4325 0.4365 0.4649 0.4670 0.7764 0.7817 0.7973 0.8022 1.0372 1.0415 1.3362 1.3393 2.2645 2.2673 2.2910 2.2912 2.4172 2.4200 10.5354 10.5361 10.5514 10.5524 11.6589 11.6599 12.3071 12.3143 12.3251 12.3257 k = 0.0465 0.0806 0.4545 ( 4180 PWs) bands (ev): -16.4354 -16.4352 -16.4206 -16.4205 -14.7615 -14.7611 -14.7500 -14.7478 -14.7286 -14.7257 -14.6891 -14.6884 -6.7474 -6.7474 -3.7702 -3.7692 -3.7314 -3.7282 -3.0331 -3.0322 -3.0263 -3.0247 -2.1076 -2.1071 -0.2382 -0.2375 -0.2278 -0.2272 -0.0886 -0.0877 0.4479 0.4520 0.4709 0.4733 0.7595 0.7639 0.7790 0.7830 1.0263 1.0302 1.3301 1.3328 2.2756 2.2785 2.2967 2.2968 2.4213 2.4239 10.5193 10.5199 10.5310 10.5319 11.6447 11.6456 12.3028 12.3092 12.3204 12.3207 k = 0.0388 0.0671 0.4545 ( 4184 PWs) bands (ev): -16.4370 -16.4368 -16.4268 -16.4267 -14.7528 -14.7516 -14.7473 -14.7462 -14.7283 -14.7258 -14.6879 -14.6873 -6.7625 -6.7625 -3.7533 -3.7525 -3.7260 -3.7232 -3.0436 -3.0429 -3.0369 -3.0356 -2.1033 -2.1029 -0.2243 -0.2238 -0.2166 -0.2158 -0.0939 -0.0931 0.4624 0.4665 0.4781 0.4806 0.7433 0.7468 0.7616 0.7645 1.0172 1.0206 1.3248 1.3271 2.2850 2.2877 2.3016 2.3018 2.4248 2.4272 10.5056 10.5061 10.5136 10.5144 11.6325 11.6332 12.2994 12.3049 12.3164 12.3166 k = 0.0310 0.0537 0.4545 ( 4176 PWs) bands (ev): -16.4384 -16.4382 -16.4318 -16.4317 -14.7491 -14.7468 -14.7419 -14.7415 -14.7281 -14.7261 -14.6868 -14.6863 -6.7750 -6.7749 -3.7391 -3.7383 -3.7214 -3.7191 -3.0524 -3.0519 -3.0458 -3.0450 -2.0999 -2.0995 -0.2126 -0.2123 -0.2071 -0.2063 -0.0982 -0.0974 0.4758 0.4794 0.4862 0.4884 0.7285 0.7308 0.7456 0.7474 1.0099 1.0126 1.3203 1.3222 2.2926 2.2949 2.3060 2.3062 2.4279 2.4299 10.4943 10.4947 10.4994 10.5001 11.6223 11.6229 12.2967 12.3012 12.3132 12.3133 k = 0.0233 0.0403 0.4545 ( 4184 PWs) bands (ev): -16.4394 -16.4393 -16.4357 -16.4357 -14.7475 -14.7457 -14.7361 -14.7356 -14.7277 -14.7263 -14.6859 -14.6856 -6.7847 -6.7847 -3.7276 -3.7271 -3.7177 -3.7159 -3.0594 -3.0592 -3.0530 -3.0525 -2.0972 -2.0969 -0.2034 -0.2033 -0.1995 -0.1987 -0.1015 -0.1009 0.4875 0.4902 0.4945 0.4960 0.7154 0.7166 0.7318 0.7326 1.0044 1.0064 1.3168 1.3182 2.2983 2.3001 2.3098 2.3099 2.4304 2.4320 10.4855 10.4858 10.4884 10.4889 11.6144 11.6148 12.2947 12.2981 12.3106 12.3107 k = 0.0155 0.0269 0.4545 ( 4186 PWs) bands (ev): -16.4402 -16.4401 -16.4385 -16.4385 -14.7465 -14.7452 -14.7320 -14.7314 -14.7271 -14.7264 -14.6853 -14.6850 -6.7917 -6.7916 -3.7193 -3.7188 -3.7149 -3.7137 -3.0646 -3.0645 -3.0583 -3.0580 -2.0952 -2.0951 -0.1969 -0.1969 -0.1938 -0.1931 -0.1039 -0.1034 0.4969 0.4984 0.5019 0.5026 0.7049 0.7054 0.7209 0.7210 1.0005 1.0019 1.3143 1.3153 2.3022 2.3035 2.3127 2.3128 2.4323 2.4334 10.4792 10.4794 10.4805 10.4808 11.6087 11.6090 12.2935 12.2958 12.3088 12.3089 k = 0.0078 0.0134 0.4545 ( 4182 PWs) bands (ev): -16.4406 -16.4406 -16.4402 -16.4402 -14.7457 -14.7451 -14.7298 -14.7293 -14.7262 -14.7261 -14.6849 -14.6847 -6.7958 -6.7958 -3.7141 -3.7139 -3.7130 -3.7125 -3.0678 -3.0678 -3.0614 -3.0613 -2.0940 -2.0939 -0.1931 -0.1931 -0.1901 -0.1897 -0.1052 -0.1050 0.5032 0.5037 0.5069 0.5070 0.6980 0.6981 0.7136 0.7138 0.9984 0.9991 1.3129 1.3134 2.3046 2.3052 2.3147 2.3147 2.4336 2.4341 10.4755 10.4755 10.4758 10.4760 11.6053 11.6054 12.2930 12.2942 12.3078 12.3078 k = 0.0000 0.0000 0.4545 ( 4198 PWs) bands (ev): -16.4408 -16.4408 -16.4407 -16.4407 -14.7453 -14.7453 -14.7290 -14.7290 -14.7258 -14.7258 -14.6847 -14.6847 -6.7972 -6.7972 -3.7123 -3.7123 -3.7123 -3.7123 -3.0689 -3.0689 -3.0625 -3.0625 -2.0936 -2.0936 -0.1919 -0.1919 -0.1887 -0.1887 -0.1056 -0.1056 0.5055 0.5055 0.5086 0.5086 0.6955 0.6955 0.7112 0.7112 0.9979 0.9979 1.3126 1.3126 2.3055 2.3055 2.3153 2.3153 2.4342 2.4342 10.4742 10.4742 10.4743 10.4743 11.6042 11.6042 12.2932 12.2932 12.3074 12.3074 k = 0.5000 0.2887 0.4545 ( 4148 PWs) bands (ev): -16.3488 -16.3488 -15.9082 -15.9082 -15.4560 -15.4560 -14.8193 -14.8193 -14.7482 -14.7482 -14.7275 -14.7275 -5.6948 -5.6948 -4.7279 -4.7279 -3.8586 -3.8586 -2.7725 -2.7725 -2.5013 -2.5013 -2.3879 -2.3879 -0.6801 -0.6801 -0.6613 -0.6613 0.0911 0.0911 0.4161 0.4161 0.4386 0.4386 0.9740 0.9740 1.2511 1.2511 1.3815 1.3815 1.6399 1.6399 1.6869 1.6869 1.9244 1.9244 2.3346 2.3346 11.4506 11.4506 11.9392 11.9392 12.1986 12.1986 12.3693 12.3693 12.7641 12.7641 k = 0.5000 0.2887 0.4393 ( 4158 PWs) bands (ev): -16.3490 -16.3490 -15.9083 -15.9083 -15.4558 -15.4556 -14.8192 -14.8192 -14.7486 -14.7482 -14.7277 -14.7273 -5.6954 -5.6952 -4.7283 -4.7282 -3.8578 -3.8574 -2.7740 -2.7734 -2.4995 -2.4991 -2.3888 -2.3887 -0.6800 -0.6796 -0.6609 -0.6606 0.0904 0.0911 0.4086 0.4117 0.4426 0.4457 0.9723 0.9733 1.2497 1.2508 1.3809 1.3823 1.6294 1.6306 1.6979 1.6991 1.9235 1.9239 2.3348 2.3352 11.4483 11.4489 11.9330 11.9336 12.1962 12.1997 12.3735 12.3761 12.7670 12.7680 k = 0.5000 0.2887 0.4242 ( 4158 PWs) bands (ev): -16.3497 -16.3495 -15.9086 -15.9086 -15.4548 -15.4545 -14.8189 -14.8188 -14.7492 -14.7483 -14.7278 -14.7271 -5.6969 -5.6965 -4.7293 -4.7291 -3.8549 -3.8541 -2.7778 -2.7766 -2.4939 -2.4931 -2.3911 -2.3909 -0.6795 -0.6787 -0.6594 -0.6587 0.0889 0.0903 0.3967 0.4004 0.4527 0.4564 0.9683 0.9702 1.2465 1.2487 1.3804 1.3832 1.6114 1.6129 1.7209 1.7223 1.9214 1.9221 2.3356 2.3365 11.4420 11.4432 11.9162 11.9176 12.1927 12.1988 12.3879 12.3923 12.7768 12.7788 k = 0.5000 0.2887 0.4090 ( 4154 PWs) bands (ev): -16.3507 -16.3505 -15.9091 -15.9091 -15.4532 -15.4526 -14.8184 -14.8181 -14.7499 -14.7487 -14.7278 -14.7268 -5.6993 -5.6987 -4.7310 -4.7306 -3.8499 -3.8487 -2.7836 -2.7819 -2.4848 -2.4837 -2.3950 -2.3947 -0.6785 -0.6773 -0.6567 -0.6556 0.0866 0.0888 0.3834 0.3872 0.4638 0.4676 0.9621 0.9649 1.2415 1.2447 1.3799 1.3840 1.5937 1.5951 1.7475 1.7489 1.9180 1.9191 2.3373 2.3385 11.4316 11.4334 11.8920 11.8941 12.1881 12.1959 12.4092 12.4147 12.7938 12.7966 k = 0.5000 0.2887 0.3939 ( 4166 PWs) bands (ev): -16.3521 -16.3519 -15.9097 -15.9097 -15.4509 -15.4501 -14.8176 -14.8173 -14.7509 -14.7493 -14.7278 -14.7265 -5.7026 -5.7018 -4.7332 -4.7327 -3.8429 -3.8413 -2.7908 -2.7887 -2.4728 -2.4715 -2.4002 -2.3997 -0.6771 -0.6754 -0.6528 -0.6514 0.0835 0.0864 0.3693 0.3732 0.4751 0.4790 0.9536 0.9573 1.2347 1.2389 1.3793 1.3845 1.5782 1.5794 1.7757 1.7770 1.9134 1.9148 2.3396 2.3412 11.4170 11.4193 11.8636 11.8665 12.1824 12.1913 12.4338 12.4400 12.8181 12.8215 k = 0.5000 0.2887 0.3787 ( 4164 PWs) bands (ev): -16.3539 -16.3536 -15.9106 -15.9105 -15.4479 -15.4470 -14.8167 -14.8162 -14.7520 -14.7501 -14.7277 -14.7262 -5.7067 -5.7057 -4.7360 -4.7354 -3.8339 -3.8319 -2.7991 -2.7966 -2.4589 -2.4575 -2.4065 -2.4057 -0.6751 -0.6730 -0.6479 -0.6461 0.0797 0.0833 0.3546 0.3586 0.4865 0.4903 0.9432 0.9475 1.2262 1.2312 1.3784 1.3845 1.5655 1.5664 1.8047 1.8059 1.9077 1.9093 2.3426 2.3446 11.3983 11.4011 11.8339 11.8375 12.1758 12.1852 12.4588 12.4654 12.8498 12.8534 k = 0.5000 0.2887 0.3636 ( 4172 PWs) bands (ev): -16.3560 -16.3557 -15.9116 -15.9115 -15.4444 -15.4433 -14.8155 -14.8150 -14.7532 -14.7511 -14.7276 -14.7260 -5.7117 -5.7105 -4.7393 -4.7387 -3.8229 -3.8207 -2.8080 -2.8052 -2.4451 -2.4438 -2.4121 -2.4109 -0.6727 -0.6702 -0.6418 -0.6397 0.0751 0.0795 0.3394 0.3435 0.4978 0.5016 0.9308 0.9358 1.2160 1.2216 1.3771 1.3838 1.5559 1.5567 1.8340 1.8351 1.9009 1.9028 2.3463 2.3486 11.3754 11.3786 11.8046 11.8089 12.1683 12.1781 12.4823 12.4890 12.8879 12.8916 k = 0.5000 0.2887 0.3484 ( 4168 PWs) bands (ev): -16.3585 -16.3581 -15.9127 -15.9127 -15.4403 -15.4391 -14.8142 -14.8136 -14.7545 -14.7522 -14.7276 -14.7258 -5.7173 -5.7159 -4.7432 -4.7424 -3.8101 -3.8075 -2.8171 -2.8141 -2.4391 -2.4384 -2.4097 -2.4079 -0.6697 -0.6669 -0.6347 -0.6322 0.0698 0.0749 0.3239 0.3281 0.5091 0.5128 0.9166 0.9222 1.2042 1.2103 1.3753 1.3823 1.5492 1.5505 1.8629 1.8642 1.8934 1.8954 2.3507 2.3533 11.3487 11.3523 11.7770 11.7818 12.1604 12.1703 12.5035 12.5102 12.9310 12.9343 k = 0.5000 0.2887 0.3333 ( 4160 PWs) bands (ev): -16.3612 -16.3608 -15.9140 -15.9140 -15.4357 -15.4343 -14.8127 -14.8120 -14.7558 -14.7534 -14.7276 -14.7257 -5.7235 -5.7220 -4.7475 -4.7466 -3.7956 -3.7927 -2.8262 -2.8231 -2.4456 -2.4455 -2.3948 -2.3929 -0.6663 -0.6631 -0.6266 -0.6237 0.0637 0.0695 0.3082 0.3125 0.5204 0.5241 0.9009 0.9070 1.1908 1.1974 1.3731 1.3801 1.5454 1.5473 1.8804 1.8850 1.8939 1.8978 2.3557 2.3585 11.3187 11.3224 11.7517 11.7569 12.1522 12.1622 12.5220 12.5286 12.9751 12.9771 k = 0.5000 0.2887 0.3181 ( 4158 PWs) bands (ev): -16.3641 -16.3637 -15.9154 -15.9154 -15.4306 -15.4291 -14.8110 -14.8103 -14.7572 -14.7547 -14.7276 -14.7256 -5.7303 -5.7287 -4.7522 -4.7513 -3.7793 -3.7761 -2.8351 -2.8319 -2.4575 -2.4574 -2.3753 -2.3735 -0.6624 -0.6588 -0.6176 -0.6143 0.0569 0.0634 0.2923 0.2970 0.5316 0.5354 0.8838 0.8903 1.1762 1.1831 1.3705 1.3774 1.5441 1.5468 1.8729 1.8760 1.9225 1.9243 2.3613 2.3643 11.2859 11.2897 11.7288 11.7342 12.1440 12.1540 12.5381 12.5444 13.0075 13.0107 k = 0.5000 0.2887 0.3030 ( 4162 PWs) bands (ev): -16.3672 -16.3668 -15.9169 -15.9169 -15.4251 -15.4235 -14.8093 -14.8085 -14.7586 -14.7560 -14.7277 -14.7257 -5.7375 -5.7358 -4.7572 -4.7563 -3.7614 -3.7580 -2.8436 -2.8404 -2.4719 -2.4716 -2.3543 -2.3525 -0.6580 -0.6541 -0.6077 -0.6041 0.0494 0.0565 0.2766 0.2815 0.5429 0.5466 0.8655 0.8724 1.1604 1.1675 1.3677 1.3744 1.5450 1.5483 1.8627 1.8657 1.9509 1.9523 2.3675 2.3706 11.2510 11.2549 11.7081 11.7136 12.1360 12.1461 12.5517 12.5577 13.0200 13.0266 k = 0.5000 0.2887 0.2878 ( 4166 PWs) bands (ev): -16.3706 -16.3701 -15.9185 -15.9185 -15.4193 -15.4176 -14.8076 -14.8067 -14.7599 -14.7573 -14.7279 -14.7258 -5.7451 -5.7434 -4.7626 -4.7616 -3.7421 -3.7384 -2.8517 -2.8484 -2.4880 -2.4875 -2.3326 -2.3309 -0.6531 -0.6489 -0.5970 -0.5930 0.0412 0.0489 0.2613 0.2664 0.5540 0.5577 0.8462 0.8534 1.1438 1.1510 1.3650 1.3712 1.5474 1.5514 1.8516 1.8546 1.9786 1.9799 2.3741 2.3774 11.2148 11.2186 11.6894 11.6950 12.1286 12.1386 12.5631 12.5685 13.0245 13.0318 k = 0.5000 0.2887 0.2727 ( 4156 PWs) bands (ev): -16.3740 -16.3735 -15.9202 -15.9202 -15.4132 -15.4114 -14.8058 -14.8049 -14.7612 -14.7586 -14.7281 -14.7260 -5.7530 -5.7512 -4.7681 -4.7671 -3.7213 -3.7175 -2.8592 -2.8559 -2.5056 -2.5050 -2.3105 -2.3088 -0.6478 -0.6433 -0.5856 -0.5812 0.0323 0.0406 0.2465 0.2518 0.5650 0.5687 0.8262 0.8337 1.1263 1.1337 1.3624 1.3683 1.5510 1.5556 1.8400 1.8431 2.0056 2.0067 2.3812 2.3846 11.1780 11.1817 11.6725 11.6780 12.1219 12.1318 12.5721 12.5768 13.0252 13.0320 k = 0.5000 0.2887 0.2575 ( 4156 PWs) bands (ev): -16.3775 -16.3770 -15.9219 -15.9219 -15.4069 -15.4051 -14.8040 -14.8030 -14.7624 -14.7598 -14.7284 -14.7263 -5.7611 -5.7593 -4.7739 -4.7728 -3.6993 -3.6953 -2.8662 -2.8629 -2.5246 -2.5239 -2.2883 -2.2868 -0.6421 -0.6374 -0.5736 -0.5689 0.0228 0.0315 0.2325 0.2381 0.5756 0.5794 0.8057 0.8135 1.1083 1.1157 1.3602 1.3656 1.5551 1.5603 1.8282 1.8312 2.0315 2.0326 2.3887 2.3920 11.1411 11.1447 11.6570 11.6624 12.1161 12.1258 12.5782 12.5821 13.0226 13.0282 k = 0.5000 0.2887 0.2424 ( 4156 PWs) bands (ev): -16.3810 -16.3806 -15.9237 -15.9236 -15.4005 -15.3986 -14.8022 -14.8013 -14.7634 -14.7609 -14.7287 -14.7267 -5.7693 -5.7674 -4.7797 -4.7787 -3.6761 -3.6719 -2.8725 -2.8693 -2.5448 -2.5441 -2.2663 -2.2648 -0.6360 -0.6311 -0.5611 -0.5561 0.0128 0.0216 0.2197 0.2253 0.5857 0.5895 0.7851 0.7931 1.0899 1.0973 1.3585 1.3634 1.5594 1.5651 1.8162 1.8192 2.0563 2.0574 2.3964 2.3998 11.1047 11.1081 11.6428 11.6480 12.1114 12.1209 12.5810 12.5842 13.0171 13.0225 k = 0.5000 0.2887 0.2272 ( 4160 PWs) bands (ev): -16.3846 -16.3841 -15.9254 -15.9254 -15.3940 -15.3921 -14.8006 -14.7997 -14.7643 -14.7619 -14.7292 -14.7272 -5.7774 -5.7756 -4.7856 -4.7845 -3.6520 -3.6477 -2.8782 -2.8751 -2.5661 -2.5654 -2.2446 -2.2433 -0.6297 -0.6245 -0.5482 -0.5429 0.0021 0.0110 0.2082 0.2139 0.5948 0.5986 0.7649 0.7731 1.0711 1.0786 1.3574 1.3618 1.5635 1.5696 1.8043 1.8074 2.0799 2.0809 2.4044 2.4077 11.0692 11.0724 11.6296 11.6346 12.1079 12.1172 12.5800 12.5824 13.0104 13.0169 k = 0.5000 0.2887 0.2121 ( 4148 PWs) bands (ev): -16.3881 -16.3876 -15.9272 -15.9271 -15.3874 -15.3855 -14.7992 -14.7982 -14.7650 -14.7628 -14.7297 -14.7277 -5.7855 -5.7837 -4.7915 -4.7904 -3.6269 -3.6225 -2.8833 -2.8802 -2.5885 -2.5877 -2.2235 -2.2222 -0.6231 -0.6178 -0.5351 -0.5295 -0.0091 -0.0003 0.1984 0.2040 0.6024 0.6061 0.7459 0.7542 1.0523 1.0596 1.3570 1.3610 1.5669 1.5734 1.7929 1.7960 2.1022 2.1032 2.4125 2.4158 11.0350 11.0379 11.6174 11.6222 12.1057 12.1149 12.5746 12.5765 13.0049 13.0131 k = 0.5000 0.2887 0.1969 ( 4152 PWs) bands (ev): -16.3915 -16.3911 -15.9289 -15.9288 -15.3810 -15.3791 -14.7979 -14.7969 -14.7654 -14.7634 -14.7302 -14.7283 -5.7934 -5.7916 -4.7972 -4.7962 -3.6011 -3.5967 -2.8878 -2.8848 -2.6118 -2.6109 -2.2031 -2.2019 -0.6163 -0.6110 -0.5218 -0.5160 -0.0208 -0.0123 0.1905 0.1960 0.6074 0.6106 0.7293 0.7375 1.0334 1.0407 1.3573 1.3609 1.5692 1.5761 1.7822 1.7853 2.1231 2.1240 2.4206 2.4238 11.0022 11.0050 11.6060 11.6106 12.1051 12.1141 12.5647 12.5663 13.0023 13.0119 k = 0.5000 0.2887 0.1818 ( 4150 PWs) bands (ev): -16.3948 -16.3944 -15.9305 -15.9305 -15.3747 -15.3729 -14.7969 -14.7959 -14.7655 -14.7638 -14.7308 -14.7290 -5.8010 -5.7993 -4.8028 -4.8018 -3.5748 -3.5704 -2.8918 -2.8889 -2.6358 -2.6349 -2.1834 -2.1823 -0.6095 -0.6042 -0.5085 -0.5025 -0.0329 -0.0250 0.1846 0.1900 0.6083 0.6107 0.7170 0.7244 1.0145 1.0217 1.3585 1.3617 1.5702 1.5772 1.7725 1.7757 2.1426 2.1435 2.4286 2.4317 10.9713 10.9739 11.5955 11.5997 12.1060 12.1148 12.5505 12.5519 13.0033 13.0138 k = 0.5000 0.2887 0.1666 ( 4142 PWs) bands (ev): -16.3980 -16.3976 -15.9321 -15.9321 -15.3686 -15.3668 -14.7961 -14.7951 -14.7654 -14.7640 -14.7314 -14.7297 -5.8084 -5.8067 -4.8082 -4.8073 -3.5482 -3.5437 -2.8952 -2.8924 -2.6603 -2.6594 -2.1648 -2.1638 -0.6028 -0.5975 -0.4952 -0.4891 -0.0455 -0.0382 0.1809 0.1863 0.6034 0.6046 0.7105 0.7166 0.9960 1.0030 1.3605 1.3634 1.5694 1.5766 1.7642 1.7674 2.1606 2.1614 2.4366 2.4395 10.9424 10.9447 11.5857 11.5897 12.1086 12.1172 12.5325 12.5340 13.0077 13.0188 k = 0.5000 0.2887 0.1515 ( 4146 PWs) bands (ev): -16.4010 -16.4006 -15.9337 -15.9336 -15.3628 -15.3611 -14.7956 -14.7946 -14.7650 -14.7639 -14.7320 -14.7304 -5.8153 -5.8138 -4.8134 -4.8125 -3.5214 -3.5170 -2.8981 -2.8953 -2.6852 -2.6843 -2.1473 -2.1463 -0.5962 -0.5911 -0.4821 -0.4760 -0.0583 -0.0518 0.1796 0.1850 0.5918 0.5931 0.7100 0.7146 0.9778 0.9847 1.3635 1.3661 1.5666 1.5739 1.7574 1.7606 2.1770 2.1778 2.4442 2.4470 10.9156 10.9177 11.5767 11.5804 12.1130 12.1213 12.5113 12.5130 13.0147 13.0260 k = 0.5000 0.2887 0.1363 ( 4150 PWs) bands (ev): -16.4038 -16.4035 -15.9351 -15.9351 -15.3573 -15.3557 -14.7954 -14.7943 -14.7644 -14.7636 -14.7327 -14.7311 -5.8217 -5.8203 -4.8182 -4.8173 -3.4948 -3.4905 -2.9004 -2.8978 -2.7102 -2.7094 -2.1310 -2.1301 -0.5899 -0.5850 -0.4692 -0.4632 -0.0714 -0.0656 0.1806 0.1861 0.5750 0.5776 0.7137 0.7172 0.9601 0.9668 1.3674 1.3697 1.5619 1.5691 1.7522 1.7554 2.1919 2.1927 2.4515 2.4541 10.8910 10.8929 11.5685 11.5718 12.1191 12.1272 12.4877 12.4896 13.0235 13.0348 k = 0.5000 0.2887 0.1212 ( 4138 PWs) bands (ev): -16.4064 -16.4061 -15.9364 -15.9364 -15.3522 -15.3507 -14.7953 -14.7942 -14.7637 -14.7632 -14.7333 -14.7319 -5.8276 -5.8264 -4.8226 -4.8218 -3.4685 -3.4644 -2.9023 -2.8997 -2.7350 -2.7343 -2.1161 -2.1153 -0.5840 -0.5794 -0.4567 -0.4509 -0.0844 -0.0794 0.1839 0.1895 0.5556 0.5592 0.7200 0.7228 0.9431 0.9495 1.3722 1.3744 1.5554 1.5624 1.7487 1.7517 2.2052 2.2059 2.4584 2.4607 10.8689 10.8705 11.5611 11.5641 12.1271 12.1349 12.4624 12.4647 13.0330 13.0440 k = 0.5000 0.2887 0.1060 ( 4142 PWs) bands (ev): -16.4087 -16.4084 -15.9376 -15.9376 -15.3475 -15.3461 -14.7954 -14.7943 -14.7629 -14.7626 -14.7339 -14.7326 -5.8330 -5.8318 -4.8266 -4.8259 -3.4431 -3.4392 -2.9037 -2.9011 -2.7594 -2.7587 -2.1026 -2.1019 -0.5786 -0.5744 -0.4447 -0.4392 -0.0973 -0.0930 0.1894 0.1951 0.5350 0.5392 0.7276 0.7301 0.9269 0.9329 1.3779 1.3799 1.5472 1.5539 1.7465 1.7493 2.2170 2.2176 2.4647 2.4668 10.8492 10.8506 11.5545 11.5572 12.1369 12.1444 12.4360 12.4387 13.0422 13.0524 k = 0.5000 0.2887 0.0909 ( 4146 PWs) bands (ev): -16.4108 -16.4105 -15.9387 -15.9387 -15.3433 -15.3421 -14.7955 -14.7945 -14.7621 -14.7619 -14.7344 -14.7333 -5.8377 -5.8367 -4.8302 -4.8296 -3.4190 -3.4153 -2.9046 -2.9020 -2.7828 -2.7822 -2.0907 -2.0902 -0.5738 -0.5700 -0.4333 -0.4282 -0.1096 -0.1060 0.1968 0.2024 0.5141 0.5186 0.7359 0.7382 0.9116 0.9172 1.3843 1.3863 1.5379 1.5441 1.7454 1.7479 2.2271 2.2277 2.4704 2.4722 10.8320 10.8332 11.5488 11.5511 12.1485 12.1558 12.4091 12.4122 13.0504 13.0593 k = 0.5000 0.2887 0.0757 ( 4144 PWs) bands (ev): -16.4125 -16.4123 -15.9396 -15.9396 -15.3397 -15.3387 -14.7957 -14.7948 -14.7614 -14.7611 -14.7349 -14.7339 -5.8418 -5.8409 -4.8332 -4.8328 -3.3965 -3.3932 -2.9050 -2.9024 -2.8050 -2.8044 -2.0805 -2.0800 -0.5696 -0.5663 -0.4227 -0.4182 -0.1211 -0.1182 0.2057 0.2112 0.4937 0.4984 0.7443 0.7466 0.8975 0.9027 1.3914 1.3934 1.5278 1.5335 1.7451 1.7472 2.2357 2.2362 2.4754 2.4769 10.8174 10.8184 11.5439 11.5458 12.1620 12.1690 12.3821 12.3856 13.0569 13.0642 k = 0.5000 0.2887 0.0606 ( 4140 PWs) bands (ev): -16.4140 -16.4138 -15.9404 -15.9403 -15.3366 -15.3358 -14.7958 -14.7951 -14.7607 -14.7605 -14.7354 -14.7345 -5.8451 -5.8444 -4.8358 -4.8354 -3.3765 -3.3737 -2.9047 -2.9021 -2.8253 -2.8245 -2.0720 -2.0716 -0.5661 -0.5634 -0.4131 -0.4093 -0.1315 -0.1291 0.2155 0.2206 0.4748 0.4792 0.7526 0.7548 0.8848 0.8894 1.3989 1.4009 1.5176 1.5227 1.7453 1.7470 2.2428 2.2432 2.4796 2.4808 10.8054 10.8063 11.5399 11.5414 12.1772 12.1839 12.3554 12.3593 13.0619 13.0675 k = 0.5000 0.2887 0.0454 ( 4154 PWs) bands (ev): -16.4151 -16.4150 -15.9410 -15.9409 -15.3342 -15.3336 -14.7960 -14.7954 -14.7601 -14.7599 -14.7357 -14.7350 -5.8477 -5.8472 -4.8378 -4.8375 -3.3597 -3.3574 -2.9037 -2.9011 -2.8432 -2.8421 -2.0654 -2.0651 -0.5632 -0.5612 -0.4050 -0.4020 -0.1402 -0.1384 0.2254 0.2298 0.4581 0.4620 0.7603 0.7623 0.8738 0.8777 1.4064 1.4084 1.5078 1.5121 1.7457 1.7470 2.2483 2.2486 2.4830 2.4839 10.7961 10.7967 11.5368 11.5379 12.1941 12.2004 12.3294 12.3336 13.0654 13.0693 k = 0.5000 0.2887 0.0303 ( 4138 PWs) bands (ev): -16.4159 -16.4158 -15.9414 -15.9414 -15.3324 -15.3320 -14.7960 -14.7956 -14.7596 -14.7595 -14.7359 -14.7354 -5.8496 -5.8492 -4.8392 -4.8390 -3.3467 -3.3451 -2.9018 -2.8994 -2.8577 -2.8564 -2.0605 -2.0603 -0.5611 -0.5597 -0.3986 -0.3965 -0.1467 -0.1456 0.2343 0.2377 0.4449 0.4479 0.7670 0.7686 0.8652 0.8681 1.4134 1.4151 1.4995 1.5027 1.7462 1.7471 2.2522 2.2524 2.4855 2.4861 10.7894 10.7899 11.5346 11.5354 12.2125 12.2185 12.3043 12.3089 13.0678 13.0703 k = 0.5000 0.2887 0.0151 ( 4138 PWs) bands (ev): -16.4164 -16.4164 -15.9416 -15.9416 -15.3313 -15.3311 -14.7960 -14.7958 -14.7593 -14.7592 -14.7359 -14.7357 -5.8507 -5.8505 -4.8400 -4.8399 -3.3384 -3.3376 -2.8993 -2.8977 -2.8677 -2.8667 -2.0576 -2.0575 -0.5597 -0.5590 -0.3944 -0.3933 -0.1508 -0.1502 0.2410 0.2428 0.4365 0.4382 0.7718 0.7727 0.8599 0.8614 1.4188 1.4198 1.4939 1.4957 1.7467 1.7471 2.2546 2.2547 2.4870 2.4874 10.7855 10.7857 11.5334 11.5338 12.2320 12.2373 12.2811 12.2858 13.0693 13.0705 k = 0.5000 0.2887-0.0000 ( 4132 PWs) bands (ev): -16.4166 -16.4166 -15.9417 -15.9417 -15.3308 -15.3308 -14.7960 -14.7960 -14.7592 -14.7592 -14.7359 -14.7359 -5.8510 -5.8510 -4.8403 -4.8403 -3.3353 -3.3353 -2.8973 -2.8973 -2.8710 -2.8710 -2.0566 -2.0566 -0.5590 -0.5590 -0.3926 -0.3926 -0.1519 -0.1519 0.2440 0.2440 0.4342 0.4342 0.7739 0.7739 0.8585 0.8585 1.4212 1.4212 1.4924 1.4924 1.7470 1.7470 2.2554 2.2554 2.4877 2.4877 10.7843 10.7843 11.5331 11.5331 12.2482 12.2482 12.2685 12.2685 13.0702 13.0702 k = 0.3333 0.5774-0.0000 ( 4206 PWs) bands (ev): -16.1733 -16.1721 -16.1720 -16.1720 -15.3677 -15.3677 -14.7930 -14.7930 -14.7492 -14.7492 -14.7465 -14.7460 -5.9133 -5.9133 -4.1694 -4.1656 -4.1635 -4.1635 -2.7806 -2.7781 -2.7781 -2.7765 -1.9615 -1.9615 -0.4278 -0.4164 -0.4164 -0.4115 -0.3457 -0.3457 0.4653 0.4683 0.4708 0.4708 0.6250 0.6250 0.8067 0.8067 1.2955 1.3018 1.3018 1.3034 2.0856 2.0856 2.0953 2.0964 2.5238 2.5238 11.4431 11.4482 11.4502 11.4502 11.9608 11.9608 12.9101 12.9101 13.0752 13.0760 k = 0.3333 0.5774 0.0151 ( 4200 PWs) bands (ev): -16.1835 -16.1827 -16.1615 -16.1608 -15.3682 -15.3680 -14.7931 -14.7929 -14.7518 -14.7488 -14.7468 -14.7438 -5.9123 -5.9122 -4.1838 -4.1799 -4.1524 -4.1484 -2.7902 -2.7894 -2.7659 -2.7657 -1.9628 -1.9628 -0.4368 -0.4318 -0.4034 -0.4018 -0.3457 -0.3447 0.4583 0.4624 0.4767 0.4806 0.6226 0.6227 0.8099 0.8105 1.2855 1.2885 1.3139 1.3155 2.0823 2.0880 2.0925 2.0983 2.5228 2.5229 11.4375 11.4424 11.4553 11.4594 11.9615 11.9620 12.9096 12.9098 13.0648 13.0651 k = 0.3333 0.5774 0.0303 ( 4206 PWs) bands (ev): -16.1937 -16.1930 -16.1499 -16.1492 -15.3695 -15.3691 -14.7931 -14.7928 -14.7545 -14.7515 -14.7446 -14.7416 -5.9094 -5.9091 -4.2013 -4.1977 -4.1388 -4.1345 -2.8006 -2.7997 -2.7527 -2.7526 -1.9666 -1.9665 -0.4516 -0.4479 -0.3912 -0.3882 -0.3447 -0.3428 0.4516 0.4554 0.4877 0.4916 0.6162 0.6163 0.8198 0.8209 1.2729 1.2759 1.3279 1.3296 2.0782 2.0884 2.0896 2.0998 2.5199 2.5200 11.4313 11.4360 11.4659 11.4702 11.9640 11.9650 12.9085 12.9089 13.0495 13.0497 k = 0.3333 0.5774 0.0454 ( 4182 PWs) bands (ev): -16.2036 -16.2028 -16.1378 -16.1372 -15.3715 -15.3709 -14.7932 -14.7927 -14.7573 -14.7543 -14.7426 -14.7396 -5.9044 -5.9040 -4.2202 -4.2168 -4.1262 -4.1219 -2.8099 -2.8089 -2.7387 -2.7386 -1.9728 -1.9728 -0.4676 -0.4646 -0.3796 -0.3756 -0.3429 -0.3401 0.4466 0.4502 0.4996 0.5035 0.6069 0.6069 0.8350 0.8365 1.2610 1.2641 1.3423 1.3440 2.0734 2.0836 2.0902 2.1004 2.5151 2.5153 11.4265 11.4310 11.4782 11.4826 11.9684 11.9698 12.9067 12.9073 13.0310 13.0310 k = 0.3333 0.5774 0.0606 ( 4173 PWs) bands (ev): -16.2129 -16.2122 -16.1253 -16.1247 -15.3744 -15.3736 -14.7932 -14.7926 -14.7602 -14.7573 -14.7407 -14.7378 -5.8974 -5.8969 -4.2405 -4.2373 -4.1148 -4.1103 -2.8181 -2.8169 -2.7240 -2.7240 -1.9815 -1.9814 -0.4842 -0.4816 -0.3689 -0.3642 -0.3402 -0.3365 0.4434 0.4468 0.5123 0.5161 0.5959 0.5960 0.8543 0.8561 1.2500 1.2532 1.3569 1.3584 2.0679 2.0780 2.0899 2.0999 2.5084 2.5087 11.4230 11.4275 11.4921 11.4965 11.9745 11.9764 12.9043 12.9050 13.0098 13.0100 k = 0.3333 0.5774 0.0757 ( 4167 PWs) bands (ev): -16.2219 -16.2211 -16.1123 -16.1118 -15.3780 -15.3770 -14.7933 -14.7925 -14.7633 -14.7604 -14.7391 -14.7362 -5.8884 -5.8878 -4.2622 -4.2593 -4.1044 -4.0999 -2.8251 -2.8237 -2.7088 -2.7087 -1.9924 -1.9923 -0.5011 -0.4990 -0.3593 -0.3541 -0.3368 -0.3322 0.4421 0.4451 0.5254 0.5289 0.5842 0.5846 0.8767 0.8787 1.2402 1.2436 1.3715 1.3730 2.0618 2.0718 2.0885 2.0985 2.4998 2.5002 11.4208 11.4252 11.5077 11.5120 11.9825 11.9848 12.9013 12.9021 12.9870 12.9876 k = 0.3333 0.5774 0.0909 ( 4167 PWs) bands (ev): -16.2304 -16.2296 -16.0989 -16.0984 -15.3823 -15.3812 -14.7933 -14.7923 -14.7664 -14.7636 -14.7376 -14.7348 -5.8775 -5.8767 -4.2853 -4.2827 -4.0949 -4.0904 -2.8308 -2.8293 -2.6932 -2.6931 -2.0055 -2.0054 -0.5182 -0.5164 -0.3510 -0.3451 -0.3328 -0.3273 0.4426 0.4453 0.5387 0.5417 0.5725 0.5734 0.9013 0.9036 1.2317 1.2354 1.3862 1.3875 2.0550 2.0649 2.0860 2.0959 2.4895 2.4899 11.4199 11.4242 11.5248 11.5292 11.9921 11.9949 12.8976 12.8984 12.9634 12.9643 k = 0.3333 0.5774 0.1060 ( 4170 PWs) bands (ev): -16.2385 -16.2377 -16.0851 -16.0847 -15.3875 -15.3862 -14.7932 -14.7921 -14.7696 -14.7668 -14.7364 -14.7336 -5.8646 -5.8637 -4.3098 -4.3075 -4.0864 -4.0818 -2.8352 -2.8335 -2.6773 -2.6771 -2.0206 -2.0206 -0.5354 -0.5338 -0.3439 -0.3373 -0.3283 -0.3220 0.4449 0.4473 0.5518 0.5532 0.5614 0.5639 0.9277 0.9302 1.2249 1.2288 1.4009 1.4020 2.0476 2.0574 2.0825 2.0922 2.4773 2.4778 11.4202 11.4244 11.5437 11.5480 12.0035 12.0067 12.8933 12.8940 12.9396 12.9407 k = 0.3333 0.5774 0.1212 ( 4161 PWs) bands (ev): -16.2461 -16.2453 -16.0709 -16.0705 -15.3934 -15.3920 -14.7931 -14.7919 -14.7728 -14.7701 -14.7354 -14.7326 -5.8499 -5.8488 -4.3358 -4.3338 -4.0787 -4.0741 -2.8383 -2.8364 -2.6612 -2.6610 -2.0377 -2.0377 -0.5524 -0.5510 -0.3379 -0.3308 -0.3235 -0.3164 0.4488 0.4509 0.5510 0.5512 0.5643 0.5684 0.9556 0.9582 1.2200 1.2242 1.4155 1.4165 2.0398 2.0494 2.0778 2.0874 2.4634 2.4640 11.4217 11.4258 11.5642 11.5685 12.0165 12.0201 12.8885 12.8885 12.9163 12.9171 k = 0.3333 0.5774 0.1363 ( 4161 PWs) bands (ev): -16.2533 -16.2525 -16.0563 -16.0559 -15.4001 -15.3985 -14.7929 -14.7916 -14.7761 -14.7735 -14.7346 -14.7319 -5.8332 -5.8321 -4.3631 -4.3614 -4.0717 -4.0672 -2.8401 -2.8379 -2.6449 -2.6447 -2.0565 -2.0564 -0.5691 -0.5679 -0.3330 -0.3253 -0.3185 -0.3106 0.4544 0.4561 0.5420 0.5427 0.5761 0.5792 0.9847 0.9874 1.2172 1.2217 1.4300 1.4308 2.0314 2.0409 2.0719 2.0814 2.4479 2.4486 11.4244 11.4283 11.5865 11.5907 12.0311 12.0351 12.8802 12.8832 12.8939 12.8956 k = 0.3333 0.5774 0.1515 ( 4155 PWs) bands (ev): -16.2601 -16.2594 -16.0412 -16.0409 -15.4076 -15.4059 -14.7926 -14.7913 -14.7794 -14.7769 -14.7340 -14.7314 -5.8148 -5.8135 -4.3918 -4.3904 -4.0655 -4.0610 -2.8405 -2.8381 -2.6287 -2.6285 -2.0769 -2.0767 -0.5855 -0.5844 -0.3290 -0.3208 -0.3135 -0.3049 0.4613 0.4626 0.5341 0.5352 0.5867 0.5893 1.0146 1.0174 1.2167 1.2215 1.4444 1.4451 2.0226 2.0319 2.0648 2.0742 2.4309 2.4316 11.4280 11.4318 11.6105 11.6147 12.0471 12.0516 12.8640 12.8713 12.8773 12.8830 k = 0.3333 0.5774 0.1666 ( 4161 PWs) bands (ev): -16.2665 -16.2658 -16.0258 -16.0256 -15.4158 -15.4140 -14.7923 -14.7908 -14.7826 -14.7802 -14.7337 -14.7311 -5.7945 -5.7931 -4.4218 -4.4208 -4.0599 -4.0555 -2.8395 -2.8370 -2.6127 -2.6124 -2.0987 -2.0984 -0.6014 -0.6005 -0.3260 -0.3171 -0.3086 -0.2992 0.4694 0.4703 0.5274 0.5289 0.5960 0.5982 1.0453 1.0482 1.2189 1.2239 1.4588 1.4592 2.0133 2.0224 2.0565 2.0658 2.4123 2.4131 11.4326 11.4363 11.6362 11.6403 12.0646 12.0695 12.8431 12.8494 12.8709 12.8751 k = 0.3333 0.5774 0.1818 ( 4161 PWs) bands (ev): -16.2725 -16.2718 -16.0100 -16.0098 -15.4248 -15.4229 -14.7919 -14.7902 -14.7858 -14.7836 -14.7335 -14.7311 -5.7726 -5.7710 -4.4531 -4.4524 -4.0548 -4.0506 -2.8372 -2.8345 -2.5969 -2.5966 -2.1217 -2.1214 -0.6166 -0.6159 -0.3236 -0.3143 -0.3039 -0.2939 0.4784 0.4789 0.5222 0.5239 0.6037 0.6055 1.0766 1.0796 1.2236 1.2290 1.4730 1.4733 2.0037 2.0126 2.0470 2.0561 2.3923 2.3932 11.4381 11.4416 11.6636 11.6677 12.0834 12.0887 12.8221 12.8284 12.8641 12.8678 k = 0.3333 0.5774 0.1969 ( 4155 PWs) bands (ev): -16.2782 -16.2774 -15.9939 -15.9937 -15.4345 -15.4325 -14.7915 -14.7896 -14.7887 -14.7869 -14.7336 -14.7313 -5.7489 -5.7473 -4.4857 -4.4852 -4.0503 -4.0462 -2.8335 -2.8306 -2.5814 -2.5812 -2.1458 -2.1453 -0.6313 -0.6306 -0.3219 -0.3120 -0.2995 -0.2889 0.4881 0.4881 0.5185 0.5203 0.6098 0.6112 1.1083 1.1114 1.2312 1.2369 1.4872 1.4872 1.9937 2.0023 2.0363 2.0452 2.3710 2.3719 11.4443 11.4477 11.6928 11.6968 12.1033 12.1090 12.8017 12.8084 12.8568 12.8603 k = 0.3333 0.5774 0.2121 ( 4158 PWs) bands (ev): -16.2834 -16.2827 -15.9774 -15.9773 -15.4449 -15.4429 -14.7929 -14.7902 -14.7898 -14.7888 -14.7339 -14.7317 -5.7236 -5.7219 -4.5194 -4.5192 -4.0463 -4.0423 -2.8285 -2.8255 -2.5664 -2.5662 -2.1708 -2.1702 -0.6451 -0.6446 -0.3205 -0.3103 -0.2956 -0.2844 0.4976 0.4983 0.5163 0.5180 0.6142 0.6153 1.1404 1.1434 1.2415 1.2474 1.5011 1.5013 1.9833 1.9918 2.0243 2.0331 2.3485 2.3495 11.4512 11.4544 11.7236 11.7277 12.1243 12.1303 12.7823 12.7895 12.8489 12.8524 k = 0.3333 0.5774 0.2272 ( 4161 PWs) bands (ev): -16.2882 -16.2876 -15.9606 -15.9606 -15.4560 -15.4539 -14.7957 -14.7933 -14.7891 -14.7879 -14.7344 -14.7323 -5.6968 -5.6949 -4.5542 -4.5541 -4.0427 -4.0389 -2.8222 -2.8191 -2.5519 -2.5517 -2.1965 -2.1958 -0.6582 -0.6577 -0.3196 -0.3089 -0.2922 -0.2804 0.5065 0.5088 0.5164 0.5170 0.6170 0.6177 1.1726 1.1757 1.2544 1.2606 1.5150 1.5153 1.9727 1.9809 2.0111 2.0197 2.3249 2.3260 11.4587 11.4617 11.7562 11.7602 12.1462 12.1525 12.7640 12.7716 12.8406 12.8440 k = 0.3333 0.5774 0.2424 ( 4161 PWs) bands (ev): -16.2927 -16.2921 -15.9436 -15.9435 -15.4678 -15.4657 -14.7985 -14.7964 -14.7882 -14.7869 -14.7351 -14.7331 -5.6685 -5.6665 -4.5903 -4.5900 -4.0395 -4.0359 -2.8147 -2.8114 -2.5381 -2.5379 -2.2229 -2.2220 -0.6705 -0.6700 -0.3188 -0.3077 -0.2894 -0.2771 0.5117 0.5173 0.5192 0.5213 0.6181 0.6186 1.2049 1.2080 1.2699 1.2763 1.5289 1.5294 1.9619 1.9698 1.9967 2.0052 2.3003 2.3015 11.4666 11.4694 11.7903 11.7943 12.1687 12.1753 12.7467 12.7549 12.8317 12.8351 k = 0.3333 0.5774 0.2575 ( 4155 PWs) bands (ev): -16.2969 -16.2962 -15.9263 -15.9261 -15.4803 -15.4782 -14.8014 -14.7994 -14.7870 -14.7857 -14.7360 -14.7341 -5.6387 -5.6367 -4.6273 -4.6267 -4.0366 -4.0332 -2.8058 -2.8025 -2.5249 -2.5248 -2.2497 -2.2487 -0.6818 -0.6815 -0.3182 -0.3067 -0.2871 -0.2744 0.5142 0.5187 0.5294 0.5300 0.6180 0.6182 1.2371 1.2403 1.2877 1.2942 1.5427 1.5433 1.9509 1.9585 1.9812 1.9895 2.2748 2.2761 11.4748 11.4774 11.8260 11.8300 12.1917 12.1985 12.7306 12.7393 12.8223 12.8255 k = 0.3333 0.5774 0.2727 ( 4149 PWs) bands (ev): -16.3006 -16.3001 -15.9087 -15.9084 -15.4934 -15.4913 -14.8040 -14.8022 -14.7856 -14.7844 -14.7371 -14.7354 -5.6076 -5.6055 -4.6652 -4.6644 -4.0340 -4.0309 -2.7958 -2.7923 -2.5125 -2.5124 -2.2768 -2.2757 -0.6923 -0.6920 -0.3176 -0.3058 -0.2854 -0.2724 0.5169 0.5212 0.5391 0.5391 0.6166 0.6166 1.2692 1.2723 1.3075 1.3141 1.5563 1.5572 1.9400 1.9473 1.9645 1.9727 2.2486 2.2500 11.4831 11.4856 11.8632 11.8672 12.2149 12.2219 12.7157 12.7250 12.8122 12.8153 k = 0.3333 0.5774 0.2878 ( 4146 PWs) bands (ev): -16.3041 -16.3035 -15.8909 -15.8906 -15.5071 -15.5050 -14.8066 -14.8049 -14.7842 -14.7830 -14.7384 -14.7368 -5.5751 -5.5730 -4.7039 -4.7029 -4.0318 -4.0288 -2.7845 -2.7810 -2.5009 -2.5008 -2.3042 -2.3029 -0.7018 -0.7016 -0.3170 -0.3049 -0.2844 -0.2710 0.5204 0.5246 0.5478 0.5482 0.6142 0.6143 1.3009 1.3041 1.3291 1.3358 1.5698 1.5709 1.9291 1.9361 1.9468 1.9548 2.2218 2.2233 11.4915 11.4938 11.9018 11.9058 12.2379 12.2451 12.7019 12.7118 12.8014 12.8042 k = 0.3333 0.5774 0.3030 ( 4170 PWs) bands (ev): -16.3072 -16.3067 -15.8729 -15.8725 -15.5215 -15.5194 -14.8090 -14.8074 -14.7825 -14.7815 -14.7398 -14.7383 -5.5415 -5.5393 -4.7433 -4.7420 -4.0298 -4.0271 -2.7720 -2.7685 -2.4902 -2.4901 -2.3316 -2.3301 -0.7105 -0.7102 -0.3163 -0.3039 -0.2839 -0.2702 0.5246 0.5288 0.5559 0.5566 0.6110 0.6113 1.3322 1.3353 1.3520 1.3589 1.5829 1.5841 1.9186 1.9252 1.9281 1.9359 2.1945 2.1961 11.4997 11.5018 11.9415 11.9455 12.2605 12.2677 12.6893 12.6997 12.7897 12.7920 k = 0.3333 0.5774 0.3181 ( 4161 PWs) bands (ev): -16.3100 -16.3095 -15.8548 -15.8542 -15.5363 -15.5343 -14.8112 -14.8097 -14.7808 -14.7798 -14.7414 -14.7401 -5.5067 -5.5044 -4.7832 -4.7818 -4.0280 -4.0255 -2.7584 -2.7548 -2.4805 -2.4804 -2.3590 -2.3573 -0.7182 -0.7180 -0.3154 -0.3027 -0.2839 -0.2701 0.5294 0.5336 0.5630 0.5640 0.6075 0.6079 1.3630 1.3661 1.3762 1.3831 1.5953 1.5968 1.9085 1.9087 1.9147 1.9166 2.1669 2.1686 11.5078 11.5096 11.9823 11.9863 12.2823 12.2893 12.6778 12.6888 12.7770 12.7788 k = 0.3333 0.5774 0.3333 ( 4167 PWs) bands (ev): -16.3124 -16.3120 -15.8365 -15.8358 -15.5517 -15.5497 -14.8131 -14.8119 -14.7788 -14.7780 -14.7431 -14.7419 -5.4709 -5.4686 -4.8237 -4.8222 -4.0264 -4.0242 -2.7437 -2.7401 -2.4717 -2.4716 -2.3862 -2.3844 -0.7250 -0.7249 -0.3144 -0.3014 -0.2845 -0.2704 0.5348 0.5390 0.5691 0.5703 0.6037 0.6042 1.3931 1.3960 1.4011 1.4081 1.6067 1.6083 1.8883 1.8956 1.9000 1.9061 2.1392 2.1410 11.5154 11.5170 12.0238 12.0279 12.3026 12.3094 12.6675 12.6791 12.7632 12.7644 k = 0.3333 0.5774 0.3484 ( 4161 PWs) bands (ev): -16.3146 -16.3142 -15.8180 -15.8173 -15.5675 -15.5656 -14.8149 -14.8138 -14.7768 -14.7761 -14.7449 -14.7439 -5.4341 -5.4317 -4.8647 -4.8630 -4.0251 -4.0231 -2.7278 -2.7243 -2.4639 -2.4637 -2.4132 -2.4113 -0.7310 -0.7308 -0.3131 -0.3000 -0.2855 -0.2713 0.5405 0.5447 0.5742 0.5756 0.5999 0.6005 1.4224 1.4251 1.4264 1.4336 1.6165 1.6183 1.8675 1.8746 1.8930 1.8987 2.1115 2.1134 11.5225 11.5239 12.0658 12.0699 12.3210 12.3274 12.6583 12.6705 12.7483 12.7486 k = 0.3333 0.5774 0.3636 ( 4152 PWs) bands (ev): -16.3164 -16.3161 -15.7995 -15.7987 -15.5838 -15.5819 -14.8165 -14.8155 -14.7747 -14.7741 -14.7469 -14.7461 -5.3964 -5.3940 -4.9060 -4.9042 -4.0239 -4.0222 -2.7109 -2.7074 -2.4572 -2.4569 -2.4397 -2.4378 -0.7360 -0.7359 -0.3117 -0.2984 -0.2868 -0.2725 0.5464 0.5505 0.5781 0.5796 0.5963 0.5970 1.4507 1.4518 1.4529 1.4593 1.6239 1.6259 1.8465 1.8533 1.8883 1.8937 2.0841 2.0861 11.5289 11.5301 12.1079 12.1120 12.3368 12.3426 12.6504 12.6630 12.7316 12.7324 k = 0.3333 0.5774 0.3787 ( 4158 PWs) bands (ev): -16.3180 -16.3177 -15.7810 -15.7801 -15.6005 -15.5987 -14.8178 -14.8170 -14.7724 -14.7720 -14.7489 -14.7483 -5.3579 -5.3555 -4.9476 -4.9456 -4.0229 -4.0215 -2.6930 -2.6895 -2.4666 -2.4640 -2.4511 -2.4509 -0.7403 -0.7402 -0.3101 -0.2966 -0.2885 -0.2741 0.5522 0.5563 0.5808 0.5823 0.5930 0.5937 1.4766 1.4779 1.4793 1.4847 1.6282 1.6305 1.8257 1.8321 1.8867 1.8917 2.0570 2.0592 11.5345 11.5356 12.1495 12.1536 12.3491 12.3540 12.6437 12.6568 12.7137 12.7158 k = 0.3333 0.5774 0.3939 ( 4158 PWs) bands (ev): -16.3193 -16.3190 -15.7624 -15.7614 -15.6175 -15.6158 -14.8189 -14.8182 -14.7701 -14.7699 -14.7510 -14.7506 -5.3187 -5.3162 -4.9893 -4.9872 -4.0221 -4.0210 -2.6741 -2.6707 -2.4922 -2.4896 -2.4464 -2.4463 -0.7437 -0.7436 -0.3083 -0.2946 -0.2905 -0.2760 0.5580 0.5620 0.5823 0.5838 0.5901 0.5910 1.5003 1.5036 1.5038 1.5096 1.6288 1.6313 1.8056 1.8115 1.8890 1.8936 2.0307 2.0330 11.5393 11.5402 12.1900 12.1941 12.3570 12.3607 12.6385 12.6519 12.6956 12.6992 k = 0.3333 0.5774 0.4090 ( 4170 PWs) bands (ev): -16.3202 -16.3201 -15.7438 -15.7427 -15.6349 -15.6333 -14.8197 -14.8192 -14.7678 -14.7678 -14.7532 -14.7530 -5.2788 -5.2763 -5.0311 -5.0290 -4.0214 -4.0206 -2.6542 -2.6509 -2.5174 -2.5148 -2.4426 -2.4426 -0.7464 -0.7463 -0.3063 -0.2926 -0.2925 -0.2780 0.5634 0.5673 0.5827 0.5840 0.5878 0.5889 1.5218 1.5253 1.5281 1.5333 1.6253 1.6279 1.7873 1.7923 1.8954 1.8997 2.0054 2.0077 11.5432 11.5438 12.2287 12.2325 12.3595 12.3616 12.6350 12.6486 12.6783 12.6836 k = 0.3333 0.5774 0.4242 ( 4164 PWs) bands (ev): -16.3209 -16.3208 -15.7253 -15.7241 -15.6526 -15.6510 -14.8203 -14.8200 -14.7656 -14.7653 -14.7554 -14.7553 -5.2384 -5.2359 -5.0729 -5.0707 -4.0209 -4.0204 -2.6335 -2.6302 -2.5421 -2.5393 -2.4400 -2.4400 -0.7482 -0.7482 -0.3041 -0.2949 -0.2903 -0.2802 0.5682 0.5722 0.5820 0.5832 0.5861 0.5873 1.5399 1.5428 1.5506 1.5554 1.6176 1.6202 1.7722 1.7760 1.9059 1.9099 1.9814 1.9838 11.5460 11.5464 12.2645 12.2680 12.3553 12.3559 12.6336 12.6472 12.6631 12.6700 k = 0.3333 0.5774 0.4393 ( 4170 PWs) bands (ev): -16.3213 -16.3212 -15.7070 -15.7056 -15.6705 -15.6690 -14.8206 -14.8204 -14.7637 -14.7628 -14.7579 -14.7572 -5.1975 -5.1951 -5.1146 -5.1124 -4.0206 -4.0203 -2.6118 -2.6087 -2.5661 -2.5632 -2.4384 -2.4384 -0.7493 -0.7493 -0.3019 -0.2972 -0.2882 -0.2824 0.5723 0.5764 0.5806 0.5819 0.5851 0.5859 1.5525 1.5542 1.5707 1.5757 1.6063 1.6086 1.7623 1.7644 1.9200 1.9240 1.9592 1.9615 11.5478 11.5480 12.2963 12.2991 12.3430 12.3440 12.6345 12.6482 12.6513 12.6593 k = 0.3333 0.5774 0.4545 ( 4158 PWs) bands (ev): -16.3214 -16.3214 -15.6899 -15.6874 -15.6872 -15.6872 -14.8206 -14.8206 -14.7627 -14.7604 -14.7604 -14.7582 -5.1586 -5.1539 -5.1539 -5.1539 -4.0203 -4.0203 -2.5893 -2.5893 -2.5867 -2.5859 -2.4379 -2.4379 -0.7497 -0.7497 -0.2995 -0.2995 -0.2869 -0.2837 0.5743 0.5794 0.5796 0.5796 0.5850 0.5850 1.5577 1.5577 1.5837 1.5936 1.5936 1.5962 1.7595 1.7595 1.9333 1.9414 1.9414 1.9433 11.5484 11.5484 12.3217 12.3229 12.3229 12.3281 12.6362 12.6459 12.6521 12.6521 Writing output data file SiO2.save init_run : 0.51s CPU 1.04s WALL ( 1 calls) electrons : 617.82s CPU 623.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 617.82s CPU 623.05s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.03s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 303 calls) cegterg : 596.95s CPU 601.69s WALL ( 1132 calls) Called by sum_band: Called by *egterg: h_psi : 300.66s CPU 312.24s WALL ( 22129 calls) s_psi : 12.86s CPU 13.49s WALL ( 22129 calls) g_psi : 0.58s CPU 0.67s WALL ( 20694 calls) cdiaghg : 226.49s CPU 218.90s WALL ( 20997 calls) cegterg:over : 26.39s CPU 24.94s WALL ( 20694 calls) cegterg:upda : 9.14s CPU 15.01s WALL ( 20694 calls) cegterg:last : 7.70s CPU 8.76s WALL ( 2546 calls) Called by h_psi: h_psi:vloc : 280.38s CPU 286.14s WALL ( 22129 calls) h_psi:vnl : 20.02s CPU 25.41s WALL ( 22129 calls) add_vuspsi : 7.53s CPU 10.28s WALL ( 22129 calls) General routines calbec : 12.40s CPU 14.93s WALL ( 22129 calls) fft : 0.04s CPU 0.10s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 276.62s CPU 271.60s WALL ( 1753108 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.02s CPU 0.20s WALL ( 606 calls) Parallel routines fft_scatter : 250.27s CPU 163.16s WALL ( 1753131 calls) PWSCF : 10m42.05s CPU 11m10.13s WALL This run was terminated on: 0:51:56 28Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=