Program PWSCF v.5.1.1 starts on 28Jul2015 at 0:33:54 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 2350 1027 157 Max 61 36 10 2354 1045 166 Sum 1921 1123 313 75275 33183 5221 bravais-lattice index = 14 lattice parameter (alat) = 9.2899 a.u. unit-cell volume = 763.4467 (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)= 9.289893 celldm(2)= 1.000000 celldm(3)= 1.099552 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 1.099552 ) 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 0.909461 ) 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 ) ( -0.3665175 ) 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 ) ( 0.3665175 ) 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 ) ( -0.3665175 ) 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 ) ( 0.3665175 ) 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 0.0151577), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.0303154), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.0454730), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.0606307), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.0757884), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.0909461), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.1061038), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.1212615), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.1364191), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.1515768), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.1667345), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.1818922), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.1970499), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.2122075), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.2273652), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.2425229), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.2576806), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.2728383), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.2879960), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.3031536), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.3183113), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.3334690), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.3486267), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.3637844), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.3789420), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.3940997), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.4092574), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.4244151), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.4395728), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.4547305), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.4547305), wk = 0.0033003 k( 138) = ( 0.0135135 0.0078020 0.4547305), wk = 0.0033003 k( 139) = ( 0.0270270 0.0156041 0.4547305), wk = 0.0033003 k( 140) = ( 0.0405405 0.0234061 0.4547305), wk = 0.0033003 k( 141) = ( 0.0540540 0.0312081 0.4547305), wk = 0.0033003 k( 142) = ( 0.0675676 0.0390102 0.4547305), wk = 0.0033003 k( 143) = ( 0.0810811 0.0468122 0.4547305), wk = 0.0033003 k( 144) = ( 0.0945946 0.0546142 0.4547305), wk = 0.0033003 k( 145) = ( 0.1081081 0.0624162 0.4547305), wk = 0.0033003 k( 146) = ( 0.1216216 0.0702183 0.4547305), wk = 0.0033003 k( 147) = ( 0.1351351 0.0780203 0.4547305), wk = 0.0033003 k( 148) = ( 0.1486486 0.0858223 0.4547305), wk = 0.0033003 k( 149) = ( 0.1621622 0.0936244 0.4547305), wk = 0.0033003 k( 150) = ( 0.1756757 0.1014264 0.4547305), wk = 0.0033003 k( 151) = ( 0.1891892 0.1092284 0.4547305), wk = 0.0033003 k( 152) = ( 0.2027027 0.1170305 0.4547305), wk = 0.0033003 k( 153) = ( 0.2162162 0.1248325 0.4547305), wk = 0.0033003 k( 154) = ( 0.2297297 0.1326345 0.4547305), wk = 0.0033003 k( 155) = ( 0.2432432 0.1404366 0.4547305), wk = 0.0033003 k( 156) = ( 0.2567568 0.1482386 0.4547305), wk = 0.0033003 k( 157) = ( 0.2702703 0.1560406 0.4547305), wk = 0.0033003 k( 158) = ( 0.2837838 0.1638426 0.4547305), wk = 0.0033003 k( 159) = ( 0.2972973 0.1716447 0.4547305), wk = 0.0033003 k( 160) = ( 0.3108108 0.1794467 0.4547305), wk = 0.0033003 k( 161) = ( 0.3243243 0.1872487 0.4547305), wk = 0.0033003 k( 162) = ( 0.3378378 0.1950508 0.4547305), wk = 0.0033003 k( 163) = ( 0.3513514 0.2028528 0.4547305), wk = 0.0033003 k( 164) = ( 0.3648649 0.2106548 0.4547305), wk = 0.0033003 k( 165) = ( 0.3783784 0.2184569 0.4547305), wk = 0.0033003 k( 166) = ( 0.3918919 0.2262589 0.4547305), wk = 0.0033003 k( 167) = ( 0.4054054 0.2340609 0.4547305), wk = 0.0033003 k( 168) = ( 0.4189189 0.2418630 0.4547305), wk = 0.0033003 k( 169) = ( 0.4324324 0.2496650 0.4547305), wk = 0.0033003 k( 170) = ( 0.4459459 0.2574670 0.4547305), wk = 0.0033003 k( 171) = ( 0.4594595 0.2652690 0.4547305), wk = 0.0033003 k( 172) = ( 0.4729730 0.2730711 0.4547305), wk = 0.0033003 k( 173) = ( 0.4864865 0.2808731 0.4547305), wk = 0.0033003 k( 174) = ( 0.5000000 0.2886751 0.4547305), wk = 0.0033003 k( 175) = ( 0.5000000 0.2886751 0.4547305), wk = 0.0033003 k( 176) = ( 0.4924242 0.3017967 0.4547305), wk = 0.0033003 k( 177) = ( 0.4848485 0.3149183 0.4547305), wk = 0.0033003 k( 178) = ( 0.4772727 0.3280399 0.4547305), wk = 0.0033003 k( 179) = ( 0.4696970 0.3411615 0.4547305), wk = 0.0033003 k( 180) = ( 0.4621212 0.3542831 0.4547305), wk = 0.0033003 k( 181) = ( 0.4545455 0.3674047 0.4547305), wk = 0.0033003 k( 182) = ( 0.4469697 0.3805263 0.4547305), wk = 0.0033003 k( 183) = ( 0.4393939 0.3936479 0.4547305), wk = 0.0033003 k( 184) = ( 0.4318182 0.4067695 0.4547305), wk = 0.0033003 k( 185) = ( 0.4242424 0.4198911 0.4547305), wk = 0.0033003 k( 186) = ( 0.4166667 0.4330127 0.4547305), wk = 0.0033003 k( 187) = ( 0.4090909 0.4461343 0.4547305), wk = 0.0033003 k( 188) = ( 0.4015151 0.4592559 0.4547305), wk = 0.0033003 k( 189) = ( 0.3939394 0.4723775 0.4547305), wk = 0.0033003 k( 190) = ( 0.3863636 0.4854991 0.4547305), wk = 0.0033003 k( 191) = ( 0.3787879 0.4986207 0.4547305), wk = 0.0033003 k( 192) = ( 0.3712121 0.5117423 0.4547305), wk = 0.0033003 k( 193) = ( 0.3636364 0.5248639 0.4547305), wk = 0.0033003 k( 194) = ( 0.3560606 0.5379855 0.4547305), wk = 0.0033003 k( 195) = ( 0.3484849 0.5511071 0.4547305), wk = 0.0033003 k( 196) = ( 0.3409091 0.5642287 0.4547305), wk = 0.0033003 k( 197) = ( 0.3333333 0.5773503 0.4547305), wk = 0.0033003 k( 198) = ( 0.3333333 0.5773503 0.4547305), wk = 0.0033003 k( 199) = ( 0.3255814 0.5639235 0.4547305), wk = 0.0033003 k( 200) = ( 0.3178295 0.5504968 0.4547305), wk = 0.0033003 k( 201) = ( 0.3100775 0.5370700 0.4547305), wk = 0.0033003 k( 202) = ( 0.3023256 0.5236433 0.4547305), wk = 0.0033003 k( 203) = ( 0.2945736 0.5102165 0.4547305), wk = 0.0033003 k( 204) = ( 0.2868217 0.4967898 0.4547305), wk = 0.0033003 k( 205) = ( 0.2790698 0.4833630 0.4547305), wk = 0.0033003 k( 206) = ( 0.2713178 0.4699363 0.4547305), wk = 0.0033003 k( 207) = ( 0.2635659 0.4565095 0.4547305), wk = 0.0033003 k( 208) = ( 0.2558140 0.4430828 0.4547305), wk = 0.0033003 k( 209) = ( 0.2480620 0.4296560 0.4547305), wk = 0.0033003 k( 210) = ( 0.2403101 0.4162293 0.4547305), wk = 0.0033003 k( 211) = ( 0.2325581 0.4028025 0.4547305), wk = 0.0033003 k( 212) = ( 0.2248062 0.3893758 0.4547305), wk = 0.0033003 k( 213) = ( 0.2170543 0.3759490 0.4547305), wk = 0.0033003 k( 214) = ( 0.2093023 0.3625223 0.4547305), wk = 0.0033003 k( 215) = ( 0.2015504 0.3490955 0.4547305), wk = 0.0033003 k( 216) = ( 0.1937985 0.3356688 0.4547305), wk = 0.0033003 k( 217) = ( 0.1860465 0.3222420 0.4547305), wk = 0.0033003 k( 218) = ( 0.1782946 0.3088153 0.4547305), wk = 0.0033003 k( 219) = ( 0.1705426 0.2953885 0.4547305), wk = 0.0033003 k( 220) = ( 0.1627907 0.2819618 0.4547305), wk = 0.0033003 k( 221) = ( 0.1550388 0.2685350 0.4547305), wk = 0.0033003 k( 222) = ( 0.1472868 0.2551083 0.4547305), wk = 0.0033003 k( 223) = ( 0.1395349 0.2416815 0.4547305), wk = 0.0033003 k( 224) = ( 0.1317830 0.2282548 0.4547305), wk = 0.0033003 k( 225) = ( 0.1240310 0.2148280 0.4547305), wk = 0.0033003 k( 226) = ( 0.1162791 0.2014013 0.4547305), wk = 0.0033003 k( 227) = ( 0.1085271 0.1879745 0.4547305), wk = 0.0033003 k( 228) = ( 0.1007752 0.1745477 0.4547305), wk = 0.0033003 k( 229) = ( 0.0930233 0.1611210 0.4547305), wk = 0.0033003 k( 230) = ( 0.0852713 0.1476943 0.4547305), wk = 0.0033003 k( 231) = ( 0.0775194 0.1342675 0.4547305), wk = 0.0033003 k( 232) = ( 0.0697674 0.1208408 0.4547305), wk = 0.0033003 k( 233) = ( 0.0620155 0.1074140 0.4547305), wk = 0.0033003 k( 234) = ( 0.0542636 0.0939873 0.4547305), wk = 0.0033003 k( 235) = ( 0.0465116 0.0805605 0.4547305), wk = 0.0033003 k( 236) = ( 0.0387597 0.0671338 0.4547305), wk = 0.0033003 k( 237) = ( 0.0310078 0.0537070 0.4547305), wk = 0.0033003 k( 238) = ( 0.0232558 0.0402802 0.4547305), wk = 0.0033003 k( 239) = ( 0.0155039 0.0268535 0.4547305), wk = 0.0033003 k( 240) = ( 0.0077519 0.0134268 0.4547305), wk = 0.0033003 k( 241) = ( 0.0000000 0.0000000 0.4547305), wk = 0.0033003 k( 242) = ( 0.5000000 0.2886751 0.4547305), wk = 0.0033003 k( 243) = ( 0.5000000 0.2886751 0.4395728), wk = 0.0033003 k( 244) = ( 0.5000000 0.2886751 0.4244151), wk = 0.0033003 k( 245) = ( 0.5000000 0.2886751 0.4092574), wk = 0.0033003 k( 246) = ( 0.5000000 0.2886751 0.3940997), wk = 0.0033003 k( 247) = ( 0.5000000 0.2886751 0.3789420), wk = 0.0033003 k( 248) = ( 0.5000000 0.2886751 0.3637844), wk = 0.0033003 k( 249) = ( 0.5000000 0.2886751 0.3486267), wk = 0.0033003 k( 250) = ( 0.5000000 0.2886751 0.3334690), wk = 0.0033003 k( 251) = ( 0.5000000 0.2886751 0.3183113), wk = 0.0033003 k( 252) = ( 0.5000000 0.2886751 0.3031536), wk = 0.0033003 k( 253) = ( 0.5000000 0.2886751 0.2879960), wk = 0.0033003 k( 254) = ( 0.5000000 0.2886751 0.2728383), wk = 0.0033003 k( 255) = ( 0.5000000 0.2886751 0.2576806), wk = 0.0033003 k( 256) = ( 0.5000000 0.2886751 0.2425229), wk = 0.0033003 k( 257) = ( 0.5000000 0.2886751 0.2273652), wk = 0.0033003 k( 258) = ( 0.5000000 0.2886751 0.2122075), wk = 0.0033003 k( 259) = ( 0.5000000 0.2886751 0.1970499), wk = 0.0033003 k( 260) = ( 0.5000000 0.2886751 0.1818922), wk = 0.0033003 k( 261) = ( 0.5000000 0.2886751 0.1667345), wk = 0.0033003 k( 262) = ( 0.5000000 0.2886751 0.1515768), wk = 0.0033003 k( 263) = ( 0.5000000 0.2886751 0.1364191), wk = 0.0033003 k( 264) = ( 0.5000000 0.2886751 0.1212615), wk = 0.0033003 k( 265) = ( 0.5000000 0.2886751 0.1061038), wk = 0.0033003 k( 266) = ( 0.5000000 0.2886751 0.0909461), wk = 0.0033003 k( 267) = ( 0.5000000 0.2886751 0.0757884), wk = 0.0033003 k( 268) = ( 0.5000000 0.2886751 0.0606307), wk = 0.0033003 k( 269) = ( 0.5000000 0.2886751 0.0454730), wk = 0.0033003 k( 270) = ( 0.5000000 0.2886751 0.0303154), wk = 0.0033003 k( 271) = ( 0.5000000 0.2886751 0.0151577), 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 0.0151577), wk = 0.0033003 k( 275) = ( 0.3333333 0.5773503 0.0303154), wk = 0.0033003 k( 276) = ( 0.3333333 0.5773503 0.0454730), wk = 0.0033003 k( 277) = ( 0.3333333 0.5773503 0.0606307), wk = 0.0033003 k( 278) = ( 0.3333333 0.5773503 0.0757884), wk = 0.0033003 k( 279) = ( 0.3333333 0.5773503 0.0909461), wk = 0.0033003 k( 280) = ( 0.3333333 0.5773503 0.1061038), wk = 0.0033003 k( 281) = ( 0.3333333 0.5773503 0.1212615), wk = 0.0033003 k( 282) = ( 0.3333333 0.5773503 0.1364191), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 0.1515768), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.1667345), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.1818922), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.1970499), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.2122075), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.2273652), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.2425229), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.2576806), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.2728383), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.2879960), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.3031536), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.3183113), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.3334690), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.3486267), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.3637844), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.3789420), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.3940997), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.4092574), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.4244151), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.4395728), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.4547305), 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 0.0454545 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 0.1937985 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 0.0454545 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 0.1937985 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: 75275 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 ( 2354) G-vector shells 0.01 Mb ( 1054) 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 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 7.7 secs Computing kpt #: 4 total cpu time spent up to now is 9.2 secs Computing kpt #: 5 total cpu time spent up to now is 10.6 secs Computing kpt #: 6 total cpu time spent up to now is 12.1 secs Computing kpt #: 7 total cpu time spent up to now is 13.6 secs Computing kpt #: 8 total cpu time spent up to now is 15.2 secs Computing kpt #: 9 total cpu time spent up to now is 16.8 secs Computing kpt #: 10 total cpu time spent up to now is 18.3 secs Computing kpt #: 11 total cpu time spent up to now is 19.8 secs Computing kpt #: 12 total cpu time spent up to now is 21.4 secs Computing kpt #: 13 total cpu time spent up to now is 22.9 secs Computing kpt #: 14 total cpu time spent up to now is 24.4 secs Computing kpt #: 15 total cpu time spent up to now is 26.0 secs Computing kpt #: 16 total cpu time spent up to now is 27.6 secs Computing kpt #: 17 total cpu time spent up to now is 29.3 secs Computing kpt #: 18 total cpu time spent up to now is 30.9 secs Computing kpt #: 19 total cpu time spent up to now is 32.5 secs Computing kpt #: 20 total cpu time spent up to now is 34.2 secs Computing kpt #: 21 total cpu time spent up to now is 36.0 secs Computing kpt #: 22 total cpu time spent up to now is 37.7 secs Computing kpt #: 23 total cpu time spent up to now is 39.6 secs Computing kpt #: 24 total cpu time spent up to now is 41.7 secs Computing kpt #: 25 total cpu time spent up to now is 43.6 secs Computing kpt #: 26 total cpu time spent up to now is 45.9 secs Computing kpt #: 27 total cpu time spent up to now is 48.4 secs Computing kpt #: 28 total cpu time spent up to now is 51.0 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.0 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.0 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.0 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.0 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.1 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.1 secs Computing kpt #: 35 total cpu time spent up to now is 71.9 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.9 secs Computing kpt #: 37 total cpu time spent up to now is 77.1 secs Computing kpt #: 38 total cpu time spent up to now is 79.4 secs Computing kpt #: 39 total cpu time spent up to now is 81.5 secs Computing kpt #: 40 total cpu time spent up to now is 84.0 secs Computing kpt #: 41 total cpu time spent up to now is 86.2 secs Computing kpt #: 42 total cpu time spent up to now is 88.1 secs Computing kpt #: 43 total cpu time spent up to now is 90.3 secs Computing kpt #: 44 total cpu time spent up to now is 92.8 secs Computing kpt #: 45 total cpu time spent up to now is 95.0 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.0 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.1 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.1 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.1 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.2 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.2 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.2 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.3 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.4 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.4 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.5 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 131.5 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.6 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 137.8 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.9 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.1 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.2 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.4 secs Computing kpt #: 64 total cpu time spent up to now is 153.4 secs Computing kpt #: 65 total cpu time spent up to now is 155.6 secs Computing kpt #: 66 total cpu time spent up to now is 157.6 secs Computing kpt #: 67 total cpu time spent up to now is 159.6 secs Computing kpt #: 68 total cpu time spent up to now is 161.5 secs Computing kpt #: 69 total cpu time spent up to now is 163.4 secs Computing kpt #: 70 total cpu time spent up to now is 165.3 secs Computing kpt #: 71 total cpu time spent up to now is 167.5 secs Computing kpt #: 72 total cpu time spent up to now is 169.3 secs Computing kpt #: 73 total cpu time spent up to now is 171.2 secs Computing kpt #: 74 total cpu time spent up to now is 173.3 secs Computing kpt #: 75 total cpu time spent up to now is 175.4 secs Computing kpt #: 76 total cpu time spent up to now is 177.5 secs Computing kpt #: 77 total cpu time spent up to now is 179.6 secs Computing kpt #: 78 total cpu time spent up to now is 181.4 secs Computing kpt #: 79 total cpu time spent up to now is 183.3 secs Computing kpt #: 80 total cpu time spent up to now is 185.2 secs Computing kpt #: 81 total cpu time spent up to now is 187.0 secs Computing kpt #: 82 total cpu time spent up to now is 188.6 secs Computing kpt #: 83 total cpu time spent up to now is 190.3 secs Computing kpt #: 84 total cpu time spent up to now is 191.9 secs Computing kpt #: 85 total cpu time spent up to now is 193.6 secs Computing kpt #: 86 total cpu time spent up to now is 195.3 secs Computing kpt #: 87 total cpu time spent up to now is 196.9 secs Computing kpt #: 88 total cpu time spent up to now is 198.6 secs Computing kpt #: 89 total cpu time spent up to now is 200.2 secs Computing kpt #: 90 total cpu time spent up to now is 201.8 secs Computing kpt #: 91 total cpu time spent up to now is 203.3 secs Computing kpt #: 92 total cpu time spent up to now is 204.9 secs Computing kpt #: 93 total cpu time spent up to now is 206.4 secs Computing kpt #: 94 total cpu time spent up to now is 208.0 secs Computing kpt #: 95 total cpu time spent up to now is 209.5 secs Computing kpt #: 96 total cpu time spent up to now is 211.0 secs Computing kpt #: 97 total cpu time spent up to now is 212.5 secs Computing kpt #: 98 total cpu time spent up to now is 214.0 secs Computing kpt #: 99 total cpu time spent up to now is 215.5 secs Computing kpt #: 100 total cpu time spent up to now is 216.9 secs Computing kpt #: 101 total cpu time spent up to now is 218.4 secs Computing kpt #: 102 total cpu time spent up to now is 219.9 secs Computing kpt #: 103 total cpu time spent up to now is 221.3 secs Computing kpt #: 104 total cpu time spent up to now is 222.8 secs Computing kpt #: 105 total cpu time spent up to now is 224.2 secs Computing kpt #: 106 total cpu time spent up to now is 225.7 secs Computing kpt #: 107 total cpu time spent up to now is 227.2 secs Computing kpt #: 108 total cpu time spent up to now is 228.6 secs Computing kpt #: 109 total cpu time spent up to now is 230.1 secs Computing kpt #: 110 total cpu time spent up to now is 231.6 secs Computing kpt #: 111 total cpu time spent up to now is 233.1 secs Computing kpt #: 112 total cpu time spent up to now is 234.6 secs Computing kpt #: 113 total cpu time spent up to now is 236.1 secs Computing kpt #: 114 total cpu time spent up to now is 237.6 secs Computing kpt #: 115 total cpu time spent up to now is 239.1 secs Computing kpt #: 116 total cpu time spent up to now is 240.6 secs Computing kpt #: 117 total cpu time spent up to now is 242.2 secs Computing kpt #: 118 total cpu time spent up to now is 243.8 secs Computing kpt #: 119 total cpu time spent up to now is 245.4 secs Computing kpt #: 120 total cpu time spent up to now is 247.0 secs Computing kpt #: 121 total cpu time spent up to now is 248.7 secs Computing kpt #: 122 total cpu time spent up to now is 250.5 secs Computing kpt #: 123 total cpu time spent up to now is 252.5 secs Computing kpt #: 124 total cpu time spent up to now is 255.0 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.1 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.1 secs Computing kpt #: 127 total cpu time spent up to now is 263.0 secs Computing kpt #: 128 total cpu time spent up to now is 264.8 secs Computing kpt #: 129 total cpu time spent up to now is 266.6 secs Computing kpt #: 130 total cpu time spent up to now is 268.3 secs Computing kpt #: 131 total cpu time spent up to now is 270.0 secs Computing kpt #: 132 total cpu time spent up to now is 271.5 secs Computing kpt #: 133 total cpu time spent up to now is 273.1 secs Computing kpt #: 134 total cpu time spent up to now is 274.6 secs Computing kpt #: 135 total cpu time spent up to now is 276.2 secs Computing kpt #: 136 total cpu time spent up to now is 277.7 secs Computing kpt #: 137 total cpu time spent up to now is 279.2 secs Computing kpt #: 138 total cpu time spent up to now is 280.7 secs Computing kpt #: 139 total cpu time spent up to now is 282.2 secs Computing kpt #: 140 total cpu time spent up to now is 283.8 secs Computing kpt #: 141 total cpu time spent up to now is 285.3 secs Computing kpt #: 142 total cpu time spent up to now is 286.9 secs Computing kpt #: 143 total cpu time spent up to now is 288.5 secs Computing kpt #: 144 total cpu time spent up to now is 290.1 secs Computing kpt #: 145 total cpu time spent up to now is 291.7 secs Computing kpt #: 146 total cpu time spent up to now is 293.3 secs Computing kpt #: 147 total cpu time spent up to now is 294.9 secs Computing kpt #: 148 total cpu time spent up to now is 296.6 secs Computing kpt #: 149 total cpu time spent up to now is 298.2 secs Computing kpt #: 150 total cpu time spent up to now is 299.9 secs Computing kpt #: 151 total cpu time spent up to now is 301.6 secs Computing kpt #: 152 total cpu time spent up to now is 303.2 secs Computing kpt #: 153 total cpu time spent up to now is 304.8 secs Computing kpt #: 154 total cpu time spent up to now is 306.6 secs Computing kpt #: 155 total cpu time spent up to now is 308.4 secs Computing kpt #: 156 total cpu time spent up to now is 310.2 secs Computing kpt #: 157 total cpu time spent up to now is 312.0 secs Computing kpt #: 158 total cpu time spent up to now is 313.8 secs Computing kpt #: 159 total cpu time spent up to now is 316.0 secs Computing kpt #: 160 total cpu time spent up to now is 318.1 secs Computing kpt #: 161 total cpu time spent up to now is 320.3 secs Computing kpt #: 162 total cpu time spent up to now is 322.7 secs Computing kpt #: 163 total cpu time spent up to now is 325.1 secs Computing kpt #: 164 total cpu time spent up to now is 327.5 secs Computing kpt #: 165 total cpu time spent up to now is 329.7 secs Computing kpt #: 166 total cpu time spent up to now is 331.8 secs Computing kpt #: 167 total cpu time spent up to now is 333.8 secs Computing kpt #: 168 total cpu time spent up to now is 335.8 secs Computing kpt #: 169 total cpu time spent up to now is 338.0 secs Computing kpt #: 170 total cpu time spent up to now is 340.1 secs Computing kpt #: 171 total cpu time spent up to now is 342.0 secs Computing kpt #: 172 total cpu time spent up to now is 344.1 secs Computing kpt #: 173 total cpu time spent up to now is 346.2 secs Computing kpt #: 174 total cpu time spent up to now is 347.9 secs Computing kpt #: 175 total cpu time spent up to now is 350.0 secs Computing kpt #: 176 total cpu time spent up to now is 352.1 secs Computing kpt #: 177 total cpu time spent up to now is 354.2 secs Computing kpt #: 178 total cpu time spent up to now is 356.3 secs Computing kpt #: 179 total cpu time spent up to now is 358.1 secs Computing kpt #: 180 total cpu time spent up to now is 360.1 secs Computing kpt #: 181 total cpu time spent up to now is 362.2 secs Computing kpt #: 182 total cpu time spent up to now is 364.1 secs Computing kpt #: 183 total cpu time spent up to now is 366.1 secs Computing kpt #: 184 total cpu time spent up to now is 368.3 secs Computing kpt #: 185 total cpu time spent up to now is 370.4 secs Computing kpt #: 186 total cpu time spent up to now is 372.5 secs Computing kpt #: 187 total cpu time spent up to now is 374.5 secs Computing kpt #: 188 total cpu time spent up to now is 376.6 secs Computing kpt #: 189 total cpu time spent up to now is 378.7 secs Computing kpt #: 190 total cpu time spent up to now is 380.9 secs Computing kpt #: 191 total cpu time spent up to now is 383.1 secs Computing kpt #: 192 total cpu time spent up to now is 385.4 secs Computing kpt #: 193 total cpu time spent up to now is 387.6 secs Computing kpt #: 194 total cpu time spent up to now is 389.9 secs Computing kpt #: 195 total cpu time spent up to now is 392.3 secs Computing kpt #: 196 total cpu time spent up to now is 394.6 secs Computing kpt #: 197 total cpu time spent up to now is 396.9 secs Computing kpt #: 198 total cpu time spent up to now is 399.1 secs Computing kpt #: 199 total cpu time spent up to now is 401.3 secs Computing kpt #: 200 total cpu time spent up to now is 403.6 secs Computing kpt #: 201 total cpu time spent up to now is 405.8 secs Computing kpt #: 202 total cpu time spent up to now is 408.2 secs Computing kpt #: 203 total cpu time spent up to now is 410.5 secs Computing kpt #: 204 total cpu time spent up to now is 413.6 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 416.8 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 420.0 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.0 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.0 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.0 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 432.0 secs Computing kpt #: 211 total cpu time spent up to now is 435.0 secs Computing kpt #: 212 total cpu time spent up to now is 437.3 secs Computing kpt #: 213 total cpu time spent up to now is 439.5 secs Computing kpt #: 214 total cpu time spent up to now is 441.7 secs Computing kpt #: 215 total cpu time spent up to now is 443.8 secs Computing kpt #: 216 total cpu time spent up to now is 446.0 secs Computing kpt #: 217 total cpu time spent up to now is 448.1 secs Computing kpt #: 218 total cpu time spent up to now is 450.1 secs Computing kpt #: 219 total cpu time spent up to now is 452.0 secs Computing kpt #: 220 total cpu time spent up to now is 453.8 secs Computing kpt #: 221 total cpu time spent up to now is 455.7 secs Computing kpt #: 222 total cpu time spent up to now is 457.5 secs Computing kpt #: 223 total cpu time spent up to now is 459.3 secs Computing kpt #: 224 total cpu time spent up to now is 460.9 secs Computing kpt #: 225 total cpu time spent up to now is 462.7 secs Computing kpt #: 226 total cpu time spent up to now is 464.4 secs Computing kpt #: 227 total cpu time spent up to now is 466.0 secs Computing kpt #: 228 total cpu time spent up to now is 467.7 secs Computing kpt #: 229 total cpu time spent up to now is 469.4 secs Computing kpt #: 230 total cpu time spent up to now is 471.0 secs Computing kpt #: 231 total cpu time spent up to now is 472.7 secs Computing kpt #: 232 total cpu time spent up to now is 474.3 secs Computing kpt #: 233 total cpu time spent up to now is 475.9 secs Computing kpt #: 234 total cpu time spent up to now is 477.5 secs Computing kpt #: 235 total cpu time spent up to now is 479.0 secs Computing kpt #: 236 total cpu time spent up to now is 480.6 secs Computing kpt #: 237 total cpu time spent up to now is 482.2 secs Computing kpt #: 238 total cpu time spent up to now is 483.7 secs Computing kpt #: 239 total cpu time spent up to now is 485.2 secs Computing kpt #: 240 total cpu time spent up to now is 486.8 secs Computing kpt #: 241 total cpu time spent up to now is 488.3 secs Computing kpt #: 242 total cpu time spent up to now is 490.1 secs Computing kpt #: 243 total cpu time spent up to now is 492.1 secs Computing kpt #: 244 total cpu time spent up to now is 494.1 secs Computing kpt #: 245 total cpu time spent up to now is 496.3 secs Computing kpt #: 246 total cpu time spent up to now is 498.5 secs Computing kpt #: 247 total cpu time spent up to now is 501.0 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.0 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.1 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.2 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.3 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 516.3 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 519.4 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 522.4 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 525.4 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 528.4 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 531.4 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 534.5 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 537.5 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 540.5 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 543.5 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 546.5 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 549.5 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 552.6 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.6 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 558.6 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 561.6 secs Computing kpt #: 268 total cpu time spent up to now is 563.8 secs Computing kpt #: 269 total cpu time spent up to now is 565.7 secs Computing kpt #: 270 total cpu time spent up to now is 567.9 secs Computing kpt #: 271 total cpu time spent up to now is 570.5 secs Computing kpt #: 272 total cpu time spent up to now is 573.0 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 576.2 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 579.5 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.6 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 585.8 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 588.9 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 592.0 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.2 secs Computing kpt #: 280 total cpu time spent up to now is 600.2 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 603.5 secs Computing kpt #: 282 total cpu time spent up to now is 606.6 secs Computing kpt #: 283 total cpu time spent up to now is 609.7 secs Computing kpt #: 284 total cpu time spent up to now is 612.8 secs Computing kpt #: 285 total cpu time spent up to now is 615.9 secs Computing kpt #: 286 total cpu time spent up to now is 619.0 secs Computing kpt #: 287 total cpu time spent up to now is 621.6 secs Computing kpt #: 288 total cpu time spent up to now is 624.1 secs Computing kpt #: 289 total cpu time spent up to now is 627.4 secs Computing kpt #: 290 total cpu time spent up to now is 630.4 secs Computing kpt #: 291 total cpu time spent up to now is 633.7 secs Computing kpt #: 292 total cpu time spent up to now is 636.8 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 640.1 secs Computing kpt #: 294 total cpu time spent up to now is 642.8 secs Computing kpt #: 295 total cpu time spent up to now is 645.4 secs Computing kpt #: 296 total cpu time spent up to now is 647.7 secs Computing kpt #: 297 total cpu time spent up to now is 650.2 secs Computing kpt #: 298 total cpu time spent up to now is 652.7 secs Computing kpt #: 299 total cpu time spent up to now is 655.0 secs Computing kpt #: 300 total cpu time spent up to now is 657.4 secs Computing kpt #: 301 total cpu time spent up to now is 659.6 secs Computing kpt #: 302 total cpu time spent up to now is 661.9 secs Computing kpt #: 303 total cpu time spent up to now is 664.1 secs ethr = 2.08E-11, avg # of iterations = 67.9 total cpu time spent up to now is 664.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4145 PWs) bands (ev): -16.9191 -16.9191 -15.3889 -15.3889 -15.3888 -15.3888 -14.7480 -14.7480 -14.7164 -14.7164 -14.7126 -14.7126 -5.7169 -5.7169 -5.7167 -5.7167 -2.8883 -2.8883 -2.8826 -2.8826 -2.7086 -2.7086 -2.7021 -2.7021 -0.4197 -0.4197 -0.4186 -0.4186 -0.1926 -0.1926 0.0693 0.0693 1.0141 1.0141 1.0400 1.0400 1.0584 1.0584 1.5188 1.5188 1.5210 1.5210 1.8397 1.8397 2.1905 2.1905 2.2010 2.2010 8.5220 8.5220 11.8464 11.8464 11.8628 11.8628 12.3101 12.3101 12.3123 12.3123 k = 0.0135 0.0078-0.0000 ( 4137 PWs) bands (ev): -16.9186 -16.9186 -15.3895 -15.3894 -15.3888 -15.3887 -14.7484 -14.7481 -14.7165 -14.7165 -14.7127 -14.7126 -5.7172 -5.7170 -5.7156 -5.7155 -2.8893 -2.8881 -2.8826 -2.8825 -2.7091 -2.7081 -2.7018 -2.7016 -0.4215 -0.4199 -0.4187 -0.4185 -0.1925 -0.1922 0.0704 0.0717 1.0125 1.0137 1.0389 1.0391 1.0575 1.0588 1.5183 1.5185 1.5207 1.5208 1.8385 1.8390 2.1912 2.1912 2.2017 2.2017 8.5249 8.5249 11.8463 11.8464 11.8628 11.8629 12.3104 12.3106 12.3129 12.3132 k = 0.0270 0.0156-0.0000 ( 4137 PWs) bands (ev): -16.9169 -16.9169 -15.3914 -15.3912 -15.3887 -15.3884 -14.7492 -14.7486 -14.7167 -14.7166 -14.7129 -14.7127 -5.7181 -5.7178 -5.7118 -5.7117 -2.8911 -2.8888 -2.8825 -2.8823 -2.7106 -2.7097 -2.6997 -2.6985 -0.4261 -0.4233 -0.4175 -0.4174 -0.1919 -0.1913 0.0748 0.0775 1.0087 1.0109 1.0358 1.0366 1.0560 1.0587 1.5167 1.5175 1.5201 1.5205 1.8355 1.8365 2.1932 2.1933 2.2037 2.2038 8.5338 8.5338 11.8460 11.8465 11.8626 11.8632 12.3105 12.3116 12.3152 12.3165 k = 0.0405 0.0234-0.0000 ( 4121 PWs) bands (ev): -16.9142 -16.9142 -15.3945 -15.3942 -15.3883 -15.3879 -14.7503 -14.7495 -14.7172 -14.7169 -14.7133 -14.7128 -5.7196 -5.7191 -5.7056 -5.7054 -2.8937 -2.8903 -2.8823 -2.8818 -2.7146 -2.7138 -2.6945 -2.6922 -0.4333 -0.4292 -0.4156 -0.4154 -0.1909 -0.1899 0.0824 0.0863 1.0020 1.0043 1.0313 1.0338 1.0541 1.0585 1.5138 1.5156 1.5192 1.5204 1.8309 1.8323 2.1965 2.1967 2.2071 2.2072 8.5486 8.5486 11.8451 11.8466 11.8624 11.8640 12.3106 12.3125 12.3198 12.3221 k = 0.0541 0.0312-0.0000 ( 4117 PWs) bands (ev): -16.9104 -16.9104 -15.3988 -15.3984 -15.3879 -15.3873 -14.7519 -14.7508 -14.7180 -14.7172 -14.7138 -14.7129 -5.7216 -5.7209 -5.6969 -5.6966 -2.8968 -2.8926 -2.8819 -2.8812 -2.7207 -2.7199 -2.6866 -2.6834 -0.4425 -0.4374 -0.4129 -0.4126 -0.1893 -0.1881 0.0928 0.0978 0.9911 0.9930 1.0266 1.0316 1.0517 1.0580 1.5099 1.5125 1.5185 1.5203 1.8246 1.8265 2.2008 2.2013 2.2117 2.2119 8.5692 8.5692 11.8435 11.8464 11.8625 11.8657 12.3110 12.3136 12.3267 12.3298 k = 0.0676 0.0390-0.0000 ( 4115 PWs) bands (ev): -16.9055 -16.9055 -15.4043 -15.4039 -15.3872 -15.3865 -14.7537 -14.7525 -14.7191 -14.7178 -14.7143 -14.7130 -5.7241 -5.7233 -5.6857 -5.6854 -2.9003 -2.8954 -2.8814 -2.8804 -2.7287 -2.7279 -2.6764 -2.6724 -0.4535 -0.4475 -0.4094 -0.4089 -0.1873 -0.1858 0.1056 0.1115 0.9757 0.9771 1.0222 1.0299 1.0490 1.0574 1.5052 1.5084 1.5178 1.5201 1.8169 1.8193 2.2059 2.2070 2.2173 2.2178 8.5955 8.5955 11.8412 11.8458 11.8631 11.8682 12.3119 12.3151 12.3356 12.3395 k = 0.0811 0.0468-0.0000 ( 4113 PWs) bands (ev): -16.8995 -16.8995 -15.4111 -15.4106 -15.3864 -15.3856 -14.7559 -14.7545 -14.7204 -14.7187 -14.7148 -14.7131 -5.7272 -5.7262 -5.6722 -5.6717 -2.9040 -2.8986 -2.8810 -2.8796 -2.7383 -2.7374 -2.6641 -2.6596 -0.4657 -0.4590 -0.4051 -0.4045 -0.1849 -0.1830 0.1204 0.1271 0.9559 0.9570 1.0181 1.0283 1.0461 1.0566 1.4997 1.5036 1.5172 1.5200 1.8080 1.8109 2.2117 2.2134 2.2240 2.2250 8.6274 8.6274 11.8384 11.8446 11.8645 11.8714 12.3135 12.3173 12.3465 12.3510 k = 0.0946 0.0546-0.0000 ( 4117 PWs) bands (ev): -16.8925 -16.8925 -15.4191 -15.4185 -15.3855 -15.3845 -14.7582 -14.7567 -14.7219 -14.7198 -14.7153 -14.7133 -5.7307 -5.7296 -5.6563 -5.6558 -2.9079 -2.9020 -2.8806 -2.8790 -2.7495 -2.7485 -2.6500 -2.6451 -0.4789 -0.4715 -0.4001 -0.3994 -0.1820 -0.1799 0.1366 0.1440 0.9322 0.9331 1.0139 1.0266 1.0431 1.0557 1.4937 1.4981 1.5166 1.5199 1.7980 1.8014 2.2179 2.2203 2.2318 2.2332 8.6646 8.6646 11.8354 11.8429 11.8667 11.8752 12.3160 12.3203 12.3593 12.3643 k = 0.1081 0.0624-0.0000 ( 4121 PWs) bands (ev): -16.8844 -16.8844 -15.4283 -15.4277 -15.3844 -15.3833 -14.7607 -14.7591 -14.7237 -14.7212 -14.7159 -14.7135 -5.7347 -5.7335 -5.6382 -5.6376 -2.9118 -2.9056 -2.8806 -2.8786 -2.7619 -2.7607 -2.6342 -2.6291 -0.4927 -0.4848 -0.3943 -0.3935 -0.1788 -0.1764 0.1538 0.1618 0.9049 0.9058 1.0094 1.0242 1.0401 1.0545 1.4872 1.4921 1.5162 1.5198 1.7873 1.7911 2.2243 2.2274 2.2405 2.2424 8.7070 8.7071 11.8324 11.8409 11.8696 11.8795 12.3196 12.3244 12.3738 12.3794 k = 0.1216 0.0702-0.0000 ( 4129 PWs) bands (ev): -16.8753 -16.8753 -15.4388 -15.4381 -15.3832 -15.3820 -14.7634 -14.7617 -14.7256 -14.7228 -14.7164 -14.7139 -5.7391 -5.7377 -5.6179 -5.6173 -2.9156 -2.9091 -2.8811 -2.8788 -2.7753 -2.7739 -2.6169 -2.6116 -0.5067 -0.4984 -0.3878 -0.3868 -0.1753 -0.1726 0.1718 0.1803 0.8745 0.8753 1.0045 1.0210 1.0372 1.0531 1.4805 1.4859 1.5158 1.5198 1.7759 1.7801 2.2306 2.2345 2.2502 2.2525 8.7545 8.7545 11.8297 11.8390 11.8731 11.8841 12.3245 12.3297 12.3900 12.3960 k = 0.1351 0.0780-0.0000 ( 4135 PWs) bands (ev): -16.8652 -16.8651 -15.4505 -15.4497 -15.3819 -15.3806 -14.7662 -14.7644 -14.7276 -14.7246 -14.7171 -14.7144 -5.7438 -5.7424 -5.5955 -5.5948 -2.9192 -2.9126 -2.8825 -2.8799 -2.7893 -2.7876 -2.5982 -2.5928 -0.5207 -0.5121 -0.3806 -0.3794 -0.1717 -0.1687 0.1902 0.1991 0.8413 0.8420 0.9991 1.0167 1.0346 1.0514 1.4737 1.4794 1.5155 1.5199 1.7642 1.7688 2.2369 2.2413 2.2607 2.2632 8.8067 8.8067 11.8275 11.8373 11.8771 11.8889 12.3307 12.3363 12.4078 12.4142 k = 0.1486 0.0858-0.0000 ( 4137 PWs) bands (ev): -16.8540 -16.8540 -15.4634 -15.4626 -15.3804 -15.3790 -14.7690 -14.7672 -14.7298 -14.7265 -14.7178 -14.7150 -5.7489 -5.7474 -5.5711 -5.5704 -2.9228 -2.9159 -2.8854 -2.8825 -2.8030 -2.8011 -2.5783 -2.5729 -0.5346 -0.5256 -0.3727 -0.3713 -0.1680 -0.1647 0.2088 0.2179 0.8056 0.8062 0.9932 1.0115 1.0320 1.0493 1.4669 1.4729 1.5154 1.5201 1.7524 1.7573 2.2430 2.2479 2.2718 2.2745 8.8634 8.8634 11.8259 11.8361 11.8813 11.8939 12.3384 12.3442 12.4270 12.4338 k = 0.1622 0.0936-0.0000 ( 4153 PWs) bands (ev): -16.8419 -16.8419 -15.4775 -15.4767 -15.3788 -15.3774 -14.7718 -14.7701 -14.7320 -14.7285 -14.7187 -14.7157 -5.7543 -5.7527 -5.5449 -5.5441 -2.9262 -2.9192 -2.8906 -2.8875 -2.8157 -2.8135 -2.5572 -2.5518 -0.5480 -0.5388 -0.3641 -0.3626 -0.1642 -0.1606 0.2273 0.2366 0.7676 0.7681 0.9867 1.0053 1.0293 1.0469 1.4603 1.4665 1.5154 1.5204 1.7406 1.7458 2.2487 2.2540 2.2834 2.2862 8.9244 8.9244 11.8253 11.8357 11.8859 11.8989 12.3474 12.3534 12.4478 12.4549 k = 0.1757 0.1014-0.0000 ( 4155 PWs) bands (ev): -16.8289 -16.8288 -15.4928 -15.4919 -15.3772 -15.3756 -14.7747 -14.7729 -14.7343 -14.7306 -14.7196 -14.7166 -5.7600 -5.7583 -5.5169 -5.5160 -2.9297 -2.9226 -2.8989 -2.8959 -2.8259 -2.8238 -2.5351 -2.5297 -0.5608 -0.5515 -0.3551 -0.3533 -0.1605 -0.1566 0.2455 0.2550 0.7278 0.7283 0.9795 0.9982 1.0264 1.0439 1.4539 1.4603 1.5154 1.5207 1.7292 1.7347 2.2539 2.2596 2.2953 2.2982 8.9893 8.9894 11.8257 11.8362 11.8906 11.9039 12.3577 12.3638 12.4699 12.4773 k = 0.1892 0.1092-0.0000 ( 4161 PWs) bands (ev): -16.8149 -16.8148 -15.5092 -15.5084 -15.3754 -15.3738 -14.7774 -14.7757 -14.7366 -14.7328 -14.7207 -14.7176 -5.7659 -5.7641 -5.4873 -5.4864 -2.9339 -2.9267 -2.9102 -2.9074 -2.8332 -2.8312 -2.5120 -2.5068 -0.5730 -0.5636 -0.3455 -0.3435 -0.1569 -0.1527 0.2632 0.2728 0.6865 0.6870 0.9717 0.9904 1.0231 1.0404 1.4478 1.4544 1.5154 1.5209 1.7184 1.7240 2.2587 2.2647 2.3074 2.3103 9.0581 9.0582 11.8274 11.8378 11.8954 11.9090 12.3692 12.3754 12.4933 12.5010 k = 0.2027 0.1170-0.0000 ( 4151 PWs) bands (ev): -16.8000 -16.7999 -15.5268 -15.5259 -15.3736 -15.3719 -14.7801 -14.7784 -14.7389 -14.7351 -14.7218 -14.7187 -5.7719 -5.7701 -5.4562 -5.4553 -2.9411 -2.9350 -2.9217 -2.9183 -2.8379 -2.8361 -2.4882 -2.4830 -0.5843 -0.5748 -0.3355 -0.3333 -0.1535 -0.1489 0.2804 0.2900 0.6442 0.6446 0.9633 0.9818 1.0192 1.0361 1.4422 1.4489 1.5152 1.5209 1.7085 1.7142 2.2629 2.2691 2.3196 2.3225 9.1303 9.1304 11.8303 11.8405 11.9004 11.9139 12.3817 12.3878 12.5180 12.5259 k = 0.2162 0.1248-0.0000 ( 4151 PWs) bands (ev): -16.7842 -16.7842 -15.5454 -15.5445 -15.3717 -15.3699 -14.7827 -14.7810 -14.7413 -14.7373 -14.7231 -14.7199 -5.7780 -5.7762 -5.4238 -5.4228 -2.9554 -2.9514 -2.9286 -2.9238 -2.8408 -2.8391 -2.4636 -2.4586 -0.5948 -0.5852 -0.3253 -0.3228 -0.1503 -0.1454 0.2967 0.3064 0.6013 0.6017 0.9543 0.9724 1.0147 1.0311 1.4371 1.4437 1.5149 1.5206 1.6998 1.7055 2.2665 2.2729 2.3318 2.3347 9.2056 9.2058 11.8345 11.8443 11.9053 11.9187 12.3949 12.4010 12.5439 12.5520 k = 0.2297 0.1326-0.0000 ( 4152 PWs) bands (ev): -16.7676 -16.7676 -15.5650 -15.5641 -15.3697 -15.3679 -14.7852 -14.7835 -14.7436 -14.7396 -14.7244 -14.7213 -5.7843 -5.7824 -5.3902 -5.3892 -2.9751 -2.9722 -2.9320 -2.9265 -2.8428 -2.8411 -2.4385 -2.4337 -0.6042 -0.5946 -0.3150 -0.3122 -0.1473 -0.1421 0.3120 0.3216 0.5584 0.5587 0.9446 0.9622 1.0095 1.0253 1.4325 1.4391 1.5141 1.5198 1.6925 1.6981 2.2694 2.2760 2.3439 2.3467 9.2838 9.2840 11.8399 11.8491 11.9103 11.9233 12.4084 12.4145 12.5710 12.5792 k = 0.2432 0.1404-0.0000 ( 4154 PWs) bands (ev): -16.7503 -16.7502 -15.5856 -15.5847 -15.3677 -15.3659 -14.7875 -14.7859 -14.7459 -14.7418 -14.7258 -14.7227 -5.7905 -5.7887 -5.3557 -5.3547 -2.9974 -2.9950 -2.9339 -2.9281 -2.8442 -2.8424 -2.4130 -2.4084 -0.6126 -0.6030 -0.3048 -0.3017 -0.1446 -0.1391 0.3258 0.3352 0.5163 0.5167 0.9344 0.9514 1.0036 1.0185 1.4284 1.4349 1.5129 1.5185 1.6869 1.6923 2.2717 2.2785 2.3558 2.3585 9.3647 9.3649 11.8463 11.8547 11.9155 11.9280 12.4219 12.4279 12.5993 12.6076 k = 0.2568 0.1482-0.0000 ( 4154 PWs) bands (ev): -16.7322 -16.7321 -15.6070 -15.6061 -15.3656 -15.3638 -14.7897 -14.7882 -14.7481 -14.7440 -14.7273 -14.7242 -5.7967 -5.7949 -5.3204 -5.3194 -3.0210 -3.0191 -2.9350 -2.9292 -2.8453 -2.8435 -2.3872 -2.3828 -0.6199 -0.6104 -0.2950 -0.2915 -0.1421 -0.1363 0.3371 0.3461 0.4765 0.4772 0.9235 0.9398 0.9968 1.0108 1.4249 1.4312 1.5111 1.5166 1.6831 1.6881 2.2733 2.2802 2.3674 2.3700 9.4478 9.4481 11.8533 11.8606 11.9210 11.9328 12.4349 12.4408 12.6288 12.6371 k = 0.2703 0.1560-0.0000 ( 4164 PWs) bands (ev): -16.7134 -16.7133 -15.6292 -15.6284 -15.3636 -15.3618 -14.7917 -14.7903 -14.7503 -14.7462 -14.7288 -14.7257 -5.8029 -5.8011 -5.2846 -5.2835 -3.0456 -3.0439 -2.9357 -2.9299 -2.8465 -2.8445 -2.3614 -2.3571 -0.6261 -0.6165 -0.2859 -0.2820 -0.1398 -0.1338 0.3430 0.3511 0.4422 0.4437 0.9121 0.9275 0.9892 1.0021 1.4220 1.4281 1.5088 1.5140 1.6812 1.6857 2.2742 2.2812 2.3787 2.3812 9.5329 9.5332 11.8600 11.8661 11.9272 11.9382 12.4469 12.4528 12.6594 12.6676 k = 0.2838 0.1638-0.0000 ( 4144 PWs) bands (ev): -16.6940 -16.6939 -15.6521 -15.6513 -15.3615 -15.3597 -14.7936 -14.7922 -14.7524 -14.7483 -14.7304 -14.7273 -5.8090 -5.8072 -5.2483 -5.2473 -3.0707 -3.0692 -2.9359 -2.9301 -2.8476 -2.8456 -2.3355 -2.3315 -0.6310 -0.6215 -0.2779 -0.2735 -0.1376 -0.1315 0.3374 0.3432 0.4202 0.4237 0.9003 0.9146 0.9809 0.9926 1.4195 1.4254 1.5061 1.5110 1.6810 1.6850 2.2746 2.2816 2.3896 2.3920 9.6197 9.6201 11.8653 11.8704 11.9348 11.9451 12.4575 12.4632 12.6911 12.6992 k = 0.2973 0.1716-0.0000 ( 4148 PWs) bands (ev): -16.6741 -16.6740 -15.6756 -15.6748 -15.3595 -15.3577 -14.7953 -14.7940 -14.7544 -14.7503 -14.7320 -14.7290 -5.8149 -5.8132 -5.2120 -5.2110 -3.0960 -3.0948 -2.9357 -2.9301 -2.8490 -2.8468 -2.3098 -2.3061 -0.6346 -0.6252 -0.2714 -0.2666 -0.1354 -0.1295 0.3166 0.3202 0.4148 0.4201 0.8880 0.9012 0.9718 0.9821 1.4176 1.4232 1.5031 1.5076 1.6823 1.6858 2.2744 2.2813 2.4001 2.4024 9.7079 9.7083 11.8675 11.8726 11.9443 11.9543 12.4659 12.4714 12.7239 12.7316 k = 0.3108 0.1794-0.0000 ( 4144 PWs) bands (ev): -16.6537 -16.6536 -15.6995 -15.6987 -15.3575 -15.3557 -14.7968 -14.7956 -14.7563 -14.7523 -14.7335 -14.7306 -5.8206 -5.8190 -5.1758 -5.1748 -3.1214 -3.1203 -2.9352 -2.9297 -2.8505 -2.8482 -2.2846 -2.2810 -0.6370 -0.6277 -0.2668 -0.2615 -0.1334 -0.1279 0.2882 0.2909 0.4188 0.4247 0.8754 0.8872 0.9621 0.9709 1.4161 1.4214 1.4999 1.5040 1.6850 1.6880 2.2736 2.2805 2.4100 2.4122 9.7971 9.7976 11.8656 11.8717 11.9562 11.9664 12.4716 12.4770 12.7577 12.7650 k = 0.3243 0.1872-0.0000 ( 4148 PWs) bands (ev): -16.6329 -16.6328 -15.7237 -15.7230 -15.3555 -15.3538 -14.7982 -14.7971 -14.7581 -14.7542 -14.7351 -14.7323 -5.8262 -5.8246 -5.1400 -5.1390 -3.1466 -3.1457 -2.9344 -2.9289 -2.8522 -2.8498 -2.2599 -2.2566 -0.6381 -0.6288 -0.2647 -0.2588 -0.1317 -0.1268 0.2596 0.2619 0.4258 0.4316 0.8626 0.8729 0.9519 0.9591 1.4150 1.4199 1.4969 1.5006 1.6887 1.6912 2.2724 2.2791 2.4195 2.4215 9.8870 9.8875 11.8596 11.8665 11.9708 11.9810 12.4741 12.4792 12.7922 12.7990 k = 0.3378 0.1951-0.0000 ( 4144 PWs) bands (ev): -16.6119 -16.6118 -15.7481 -15.7475 -15.3536 -15.3520 -14.7994 -14.7984 -14.7598 -14.7560 -14.7366 -14.7339 -5.8314 -5.8299 -5.1049 -5.1039 -3.1714 -3.1706 -2.9332 -2.9279 -2.8541 -2.8516 -2.2360 -2.2329 -0.6378 -0.6287 -0.2652 -0.2587 -0.1306 -0.1267 0.2339 0.2361 0.4332 0.4386 0.8497 0.8585 0.9414 0.9469 1.4143 1.4189 1.4940 1.4973 1.6931 1.6952 2.2708 2.2773 2.4284 2.4302 9.9772 9.9778 11.8493 11.8567 11.9877 11.9980 12.4730 12.4777 12.8275 12.8336 k = 0.3514 0.2029-0.0000 ( 4148 PWs) bands (ev): -16.5908 -16.5907 -15.7725 -15.7719 -15.3518 -15.3503 -14.8005 -14.7996 -14.7614 -14.7577 -14.7381 -14.7355 -5.8364 -5.8350 -5.0708 -5.0698 -3.1956 -3.1949 -2.9318 -2.9266 -2.8562 -2.8537 -2.2130 -2.2102 -0.6362 -0.6272 -0.2688 -0.2617 -0.1303 -0.1277 0.2128 0.2152 0.4400 0.4448 0.8371 0.8442 0.9305 0.9345 1.4138 1.4181 1.4914 1.4944 1.6980 1.6998 2.2688 2.2751 2.4366 2.4384 10.0672 10.0679 11.8346 11.8421 12.0066 12.0168 12.4681 12.4724 12.8631 12.8683 k = 0.3649 0.2107-0.0000 ( 4158 PWs) bands (ev): -16.5698 -16.5697 -15.7968 -15.7961 -15.3501 -15.3486 -14.8015 -14.8007 -14.7628 -14.7593 -14.7395 -14.7371 -5.8410 -5.8397 -5.0380 -5.0371 -3.2190 -3.2183 -2.9300 -2.9250 -2.8586 -2.8560 -2.1912 -2.1887 -0.6332 -0.6244 -0.2755 -0.2677 -0.1313 -0.1300 0.1972 0.2000 0.4456 0.4495 0.8249 0.8302 0.9196 0.9220 1.4137 1.4175 1.4893 1.4920 1.7032 1.7047 2.2667 2.2727 2.4443 2.4459 10.1567 10.1574 11.8153 11.8227 12.0270 12.0370 12.4593 12.4633 12.8986 12.9029 k = 0.3784 0.2185-0.0000 ( 4150 PWs) bands (ev): -16.5490 -16.5489 -15.8205 -15.8199 -15.3485 -15.3471 -14.8024 -14.8016 -14.7640 -14.7608 -14.7409 -14.7385 -5.8453 -5.8441 -5.0068 -5.0059 -3.2412 -3.2407 -2.9281 -2.9232 -2.8611 -2.8584 -2.1707 -2.1684 -0.6289 -0.6203 -0.2852 -0.2770 -0.1335 -0.1334 0.1876 0.1908 0.4496 0.4527 0.8133 0.8170 0.9087 0.9098 1.4137 1.4171 1.4876 1.4900 1.7083 1.7096 2.2644 2.2701 2.4513 2.4527 10.2450 10.2458 11.7915 11.7985 12.0486 12.0583 12.4471 12.4509 12.9336 12.9368 k = 0.3919 0.2263-0.0000 ( 4152 PWs) bands (ev): -16.5286 -16.5285 -15.8436 -15.8430 -15.3470 -15.3457 -14.8031 -14.8024 -14.7652 -14.7622 -14.7421 -14.7399 -5.8491 -5.8481 -4.9775 -4.9767 -3.2622 -3.2617 -2.9259 -2.9212 -2.8637 -2.8611 -2.1518 -2.1498 -0.6233 -0.6149 -0.2978 -0.2892 -0.1378 -0.1367 0.1835 0.1872 0.4518 0.4539 0.8028 0.8048 0.8975 0.8985 1.4139 1.4169 1.4863 1.4884 1.7133 1.7145 2.2622 2.2673 2.4576 2.4589 10.3316 10.3324 11.7632 11.7698 12.0712 12.0805 12.4319 12.4355 12.9670 12.9695 k = 0.4054 0.2341-0.0000 ( 4152 PWs) bands (ev): -16.5091 -16.5090 -15.8656 -15.8651 -15.3456 -15.3445 -14.8037 -14.8031 -14.7661 -14.7634 -14.7432 -14.7412 -5.8526 -5.8517 -4.9506 -4.9499 -3.2815 -3.2811 -2.9235 -2.9190 -2.8665 -2.8638 -2.1345 -2.1328 -0.6166 -0.6084 -0.3127 -0.3040 -0.1424 -0.1407 0.1845 0.1884 0.4520 0.4531 0.7934 0.7942 0.8864 0.8882 1.4142 1.4168 1.4855 1.4873 1.7181 1.7191 2.2599 2.2646 2.4632 2.4643 10.4155 10.4165 11.7309 11.7369 12.0944 12.1033 12.4144 12.4179 12.9971 13.0002 k = 0.4189 0.2419-0.0000 ( 4154 PWs) bands (ev): -16.4907 -16.4906 -15.8862 -15.8858 -15.3444 -15.3434 -14.8042 -14.8037 -14.7669 -14.7645 -14.7442 -14.7424 -5.8557 -5.8548 -4.9264 -4.9257 -3.2990 -3.2986 -2.9210 -2.9168 -2.8693 -2.8667 -2.1192 -2.1177 -0.6088 -0.6010 -0.3292 -0.3207 -0.1469 -0.1448 0.1893 0.1934 0.4502 0.4505 0.7848 0.7860 0.8760 0.8785 1.4145 1.4168 1.4849 1.4865 1.7224 1.7233 2.2578 2.2620 2.4681 2.4691 10.4958 10.4968 11.6954 11.7007 12.1180 12.1265 12.3951 12.3986 13.0220 13.0270 k = 0.4324 0.2497-0.0000 ( 4150 PWs) bands (ev): -16.4738 -16.4737 -15.9050 -15.9047 -15.3433 -15.3425 -14.8046 -14.8042 -14.7676 -14.7655 -14.7450 -14.7435 -5.8583 -5.8576 -4.9051 -4.9046 -3.3143 -3.3140 -2.9184 -2.9145 -2.8721 -2.8695 -2.1059 -2.1046 -0.6001 -0.5928 -0.3463 -0.3383 -0.1509 -0.1488 0.1969 0.2009 0.4461 0.4466 0.7777 0.7797 0.8666 0.8696 1.4149 1.4168 1.4847 1.4860 1.7262 1.7270 2.2560 2.2595 2.4723 2.4731 10.5711 10.5721 11.6579 11.6626 12.1420 12.1499 12.3746 12.3782 13.0397 13.0456 k = 0.4459 0.2575-0.0000 ( 4144 PWs) bands (ev): -16.4589 -16.4588 -15.9215 -15.9212 -15.3424 -15.3417 -14.8049 -14.8046 -14.7681 -14.7664 -14.7456 -14.7444 -5.8604 -5.8598 -4.8872 -4.8868 -3.3273 -3.3271 -2.9158 -2.9123 -2.8748 -2.8723 -2.0947 -2.0937 -0.5910 -0.5844 -0.3630 -0.3558 -0.1542 -0.1523 0.2059 0.2097 0.4406 0.4417 0.7724 0.7749 0.8585 0.8616 1.4153 1.4169 1.4846 1.4857 1.7294 1.7301 2.2544 2.2573 2.4758 2.4764 10.6395 10.6405 11.6203 11.6243 12.1660 12.1735 12.3532 12.3570 13.0498 13.0540 k = 0.4595 0.2653-0.0000 ( 4146 PWs) bands (ev): -16.4465 -16.4464 -15.9351 -15.9349 -15.3417 -15.3412 -14.8052 -14.8049 -14.7684 -14.7671 -14.7461 -14.7452 -5.8621 -5.8616 -4.8730 -4.8726 -3.3376 -3.3375 -2.9133 -2.9104 -2.8771 -2.8749 -2.0859 -2.0852 -0.5820 -0.5764 -0.3781 -0.3720 -0.1568 -0.1552 0.2151 0.2184 0.4348 0.4360 0.7689 0.7714 0.8520 0.8549 1.4157 1.4169 1.4847 1.4855 1.7320 1.7325 2.2533 2.2555 2.4785 2.4790 10.6986 10.6994 11.5853 11.5884 12.1901 12.1970 12.3311 12.3353 13.0550 13.0576 k = 0.4730 0.2731-0.0000 ( 4140 PWs) bands (ev): -16.4372 -16.4371 -15.9453 -15.9451 -15.3411 -15.3408 -14.8053 -14.8051 -14.7685 -14.7677 -14.7464 -14.7458 -5.8632 -5.8630 -4.8625 -4.8623 -3.3452 -3.3451 -2.9110 -2.9089 -2.8789 -2.8772 -2.0795 -2.0790 -0.5739 -0.5697 -0.3901 -0.3856 -0.1586 -0.1575 0.2233 0.2257 0.4296 0.4307 0.7670 0.7690 0.8474 0.8496 1.4161 1.4168 1.4848 1.4854 1.7339 1.7342 2.2525 2.2540 2.4805 2.4808 10.7450 10.7457 11.5562 11.5584 12.2139 12.2203 12.3087 12.3132 13.0579 13.0594 k = 0.4865 0.2809-0.0000 ( 4136 PWs) bands (ev): -16.4313 -16.4313 -15.9516 -15.9516 -15.3407 -15.3406 -14.8054 -14.8053 -14.7685 -14.7681 -14.7465 -14.7462 -5.8639 -5.8638 -4.8562 -4.8561 -3.3498 -3.3497 -2.9093 -2.9081 -2.8799 -2.8790 -2.0756 -2.0754 -0.5678 -0.5655 -0.3976 -0.3952 -0.1595 -0.1589 0.2291 0.2304 0.4261 0.4267 0.7663 0.7674 0.8448 0.8460 1.4164 1.4167 1.4850 1.4853 1.7351 1.7353 2.2522 2.2529 2.4817 2.4819 10.7751 10.7755 11.5367 11.5379 12.2374 12.2431 12.2863 12.2910 13.0596 13.0603 k = 0.5000 0.2887-0.0000 ( 4132 PWs) bands (ev): -16.4293 -16.4293 -15.9538 -15.9538 -15.3406 -15.3406 -14.8054 -14.8054 -14.7684 -14.7684 -14.7464 -14.7464 -5.8641 -5.8641 -4.8540 -4.8540 -3.3513 -3.3513 -2.9083 -2.9083 -2.8799 -2.8799 -2.0742 -2.0742 -0.5648 -0.5648 -0.3994 -0.3994 -0.1596 -0.1596 0.2316 0.2316 0.4250 0.4250 0.7665 0.7665 0.8443 0.8443 1.4166 1.4166 1.4852 1.4852 1.7356 1.7356 2.2523 2.2523 2.4822 2.4822 10.7857 10.7857 11.5302 11.5302 12.2573 12.2573 12.2719 12.2719 13.0604 13.0604 k = 0.5000 0.2887-0.0000 ( 4132 PWs) bands (ev): -16.4293 -16.4293 -15.9538 -15.9538 -15.3406 -15.3406 -14.8054 -14.8054 -14.7684 -14.7684 -14.7464 -14.7464 -5.8641 -5.8641 -4.8540 -4.8540 -3.3513 -3.3513 -2.9083 -2.9083 -2.8799 -2.8799 -2.0742 -2.0742 -0.5648 -0.5648 -0.3994 -0.3994 -0.1596 -0.1596 0.2316 0.2316 0.4250 0.4250 0.7665 0.7665 0.8443 0.8443 1.4166 1.4166 1.4852 1.4852 1.7356 1.7356 2.2523 2.2523 2.4822 2.4822 10.7857 10.7857 11.5302 11.5302 12.2573 12.2573 12.2719 12.2719 13.0604 13.0604 k = 0.4924 0.3018-0.0000 ( 4142 PWs) bands (ev): -16.4288 -16.4288 -15.9542 -15.9542 -15.3409 -15.3407 -14.8054 -14.8053 -14.7684 -14.7684 -14.7465 -14.7464 -5.8646 -5.8644 -4.8523 -4.8521 -3.3552 -3.3550 -2.9062 -2.9060 -2.8797 -2.8796 -2.0739 -2.0739 -0.5645 -0.5640 -0.3996 -0.3991 -0.1612 -0.1605 0.2321 0.2329 0.4251 0.4253 0.7668 0.7676 0.8434 0.8434 1.4144 1.4145 1.4845 1.4847 1.7376 1.7377 2.2516 2.2522 2.4821 2.4828 10.7872 10.7875 11.5307 11.5309 12.2564 12.2566 12.2735 12.2736 13.0606 13.0607 k = 0.4848 0.3149-0.0000 ( 4148 PWs) bands (ev): -16.4272 -16.4272 -15.9556 -15.9554 -15.3416 -15.3413 -14.8053 -14.8053 -14.7684 -14.7683 -14.7465 -14.7464 -5.8658 -5.8654 -4.8471 -4.8465 -3.3664 -3.3660 -2.9000 -2.8997 -2.8790 -2.8787 -2.0731 -2.0729 -0.5633 -0.5622 -0.3995 -0.3985 -0.1652 -0.1639 0.2342 0.2359 0.4255 0.4258 0.7687 0.7702 0.8406 0.8408 1.4082 1.4084 1.4828 1.4831 1.7437 1.7438 2.2500 2.2513 2.4824 2.4838 10.7921 10.7926 11.5323 11.5327 12.2539 12.2542 12.2786 12.2789 13.0616 13.0616 k = 0.4773 0.3280-0.0000 ( 4152 PWs) bands (ev): -16.4246 -16.4245 -15.9579 -15.9576 -15.3427 -15.3423 -14.8053 -14.8052 -14.7684 -14.7682 -14.7466 -14.7464 -5.8677 -5.8672 -4.8382 -4.8374 -3.3843 -3.3836 -2.8905 -2.8902 -2.8777 -2.8773 -2.0715 -2.0713 -0.5611 -0.5595 -0.3992 -0.3977 -0.1714 -0.1695 0.2379 0.2404 0.4262 0.4267 0.7720 0.7742 0.8361 0.8363 1.3985 1.3987 1.4799 1.4805 1.7533 1.7534 2.2477 2.2495 2.4832 2.4852 10.8002 10.8011 11.5351 11.5356 12.2496 12.2500 12.2872 12.2877 13.0631 13.0632 k = 0.4697 0.3412-0.0000 ( 4156 PWs) bands (ev): -16.4208 -16.4207 -15.9611 -15.9607 -15.3442 -15.3437 -14.8052 -14.8050 -14.7683 -14.7681 -14.7466 -14.7464 -5.8702 -5.8696 -4.8259 -4.8249 -3.4077 -3.4070 -2.8794 -2.8789 -2.8751 -2.8747 -2.0694 -2.0691 -0.5579 -0.5558 -0.3987 -0.3968 -0.1796 -0.1772 0.2433 0.2464 0.4273 0.4279 0.7766 0.7794 0.8299 0.8302 1.3860 1.3862 1.4760 1.4767 1.7659 1.7660 2.2447 2.2470 2.4845 2.4870 10.8116 10.8127 11.5389 11.5396 12.2434 12.2439 12.2994 12.3000 13.0652 13.0653 k = 0.4621 0.3543-0.0000 ( 4160 PWs) bands (ev): -16.4160 -16.4159 -15.9652 -15.9647 -15.3460 -15.3454 -14.8050 -14.8049 -14.7682 -14.7680 -14.7467 -14.7464 -5.8733 -5.8726 -4.8103 -4.8090 -3.4359 -3.4350 -2.8747 -2.8739 -2.8642 -2.8639 -2.0665 -2.0662 -0.5539 -0.5512 -0.3981 -0.3957 -0.1895 -0.1867 0.2500 0.2536 0.4286 0.4294 0.7823 0.7857 0.8220 0.8223 1.3713 1.3716 1.4711 1.4720 1.7807 1.7808 2.2409 2.2437 2.4861 2.4892 10.8263 10.8276 11.5438 11.5446 12.2354 12.2360 12.3150 12.3158 13.0679 13.0680 k = 0.4545 0.3674-0.0000 ( 4156 PWs) bands (ev): -16.4102 -16.4100 -15.9702 -15.9697 -15.3482 -15.3474 -14.8048 -14.8047 -14.7680 -14.7678 -14.7468 -14.7465 -5.8769 -5.8761 -4.7913 -4.7899 -3.4679 -3.4668 -2.8719 -2.8710 -2.8504 -2.8499 -2.0630 -2.0627 -0.5490 -0.5458 -0.3974 -0.3945 -0.2008 -0.1978 0.2580 0.2619 0.4304 0.4312 0.7889 0.7928 0.8126 0.8130 1.3553 1.3556 1.4652 1.4662 1.7971 1.7973 2.2365 2.2396 2.4881 2.4915 10.8440 10.8456 11.5496 11.5505 12.2255 12.2262 12.3341 12.3351 13.0711 13.0712 k = 0.4470 0.3805-0.0000 ( 4162 PWs) bands (ev): -16.4033 -16.4031 -15.9762 -15.9756 -15.3505 -15.3497 -14.8046 -14.8044 -14.7679 -14.7676 -14.7470 -14.7466 -5.8809 -5.8800 -4.7693 -4.7677 -3.5030 -3.5018 -2.8688 -2.8678 -2.8365 -2.8360 -2.0589 -2.0585 -0.5434 -0.5397 -0.3966 -0.3933 -0.2132 -0.2100 0.2671 0.2712 0.4324 0.4333 0.7957 0.7996 0.8026 0.8027 1.3385 1.3388 1.4583 1.4595 1.8148 1.8149 2.2315 2.2348 2.4903 2.4940 10.8648 10.8666 11.5562 11.5573 12.2136 12.2144 12.3567 12.3577 13.0748 13.0749 k = 0.4394 0.3936-0.0000 ( 4156 PWs) bands (ev): -16.3953 -16.3951 -15.9831 -15.9825 -15.3531 -15.3522 -14.8044 -14.8042 -14.7676 -14.7674 -14.7472 -14.7468 -5.8851 -5.8841 -4.7443 -4.7426 -3.5405 -3.5393 -2.8653 -2.8642 -2.8232 -2.8227 -2.0541 -2.0537 -0.5371 -0.5329 -0.3958 -0.3921 -0.2264 -0.2230 0.2773 0.2814 0.4347 0.4357 0.7892 0.7893 0.8044 0.8087 1.3217 1.3219 1.4506 1.4520 1.8332 1.8334 2.2259 2.2293 2.4928 2.4967 10.8886 10.8906 11.5634 11.5647 12.1998 12.2007 12.3825 12.3837 13.0788 13.0790 k = 0.4318 0.4068-0.0000 ( 4160 PWs) bands (ev): -16.3864 -16.3861 -15.9911 -15.9904 -15.3557 -15.3547 -14.8042 -14.8039 -14.7674 -14.7671 -14.7474 -14.7470 -5.8895 -5.8885 -4.7166 -4.7147 -3.5802 -3.5788 -2.8614 -2.8602 -2.8110 -2.8104 -2.0488 -2.0483 -0.5303 -0.5255 -0.3951 -0.3910 -0.2400 -0.2366 0.2884 0.2925 0.4374 0.4384 0.7758 0.7759 0.8118 0.8165 1.3052 1.3053 1.4420 1.4436 1.8522 1.8524 2.2197 2.2231 2.4954 2.4993 10.9152 10.9174 11.5711 11.5726 12.1839 12.1849 12.4117 12.4130 13.0832 13.0834 k = 0.4242 0.4199-0.0000 ( 4160 PWs) bands (ev): -16.3764 -16.3761 -16.0000 -15.9993 -15.3584 -15.3574 -14.8040 -14.8037 -14.7671 -14.7668 -14.7477 -14.7473 -5.8939 -5.8929 -4.6863 -4.6842 -3.6215 -3.6201 -2.8571 -2.8558 -2.8002 -2.7996 -2.0429 -2.0424 -0.5229 -0.5177 -0.3946 -0.3900 -0.2538 -0.2504 0.3004 0.3043 0.4404 0.4414 0.7612 0.7614 0.8188 0.8237 1.2896 1.2897 1.4327 1.4345 1.8715 1.8717 2.2129 2.2164 2.4980 2.5020 10.9445 10.9469 11.5791 11.5808 12.1661 12.1671 12.4440 12.4454 13.0877 13.0879 k = 0.4167 0.4330-0.0000 ( 4164 PWs) bands (ev): -16.3654 -16.3651 -16.0100 -16.0092 -15.3611 -15.3600 -14.8037 -14.8034 -14.7667 -14.7664 -14.7481 -14.7477 -5.8984 -5.8974 -4.6535 -4.6514 -3.6642 -3.6627 -2.8524 -2.8510 -2.7910 -2.7903 -2.0366 -2.0360 -0.5153 -0.5095 -0.3942 -0.3893 -0.2676 -0.2642 0.3132 0.3168 0.4436 0.4447 0.7459 0.7460 0.8250 0.8299 1.2755 1.2756 1.4227 1.4246 1.8909 1.8911 2.2056 2.2089 2.5007 2.5046 10.9764 10.9790 11.5869 11.5888 12.1463 12.1475 12.4794 12.4809 13.0922 13.0923 k = 0.4091 0.4461-0.0000 ( 4160 PWs) bands (ev): -16.3535 -16.3531 -16.0210 -16.0202 -15.3636 -15.3626 -14.8035 -14.8032 -14.7663 -14.7660 -14.7486 -14.7482 -5.9027 -5.9017 -4.6185 -4.6163 -3.7080 -3.7065 -2.8474 -2.8459 -2.7834 -2.7826 -2.0299 -2.0294 -0.5073 -0.5010 -0.3942 -0.3890 -0.2810 -0.2777 0.3267 0.3300 0.4471 0.4481 0.7299 0.7299 0.8299 0.8347 1.2632 1.2635 1.4121 1.4142 1.9102 1.9104 2.1978 2.2009 2.5034 2.5071 11.0107 11.0134 11.5943 11.5964 12.1248 12.1261 12.5178 12.5192 13.0956 13.0959 k = 0.4015 0.4593-0.0000 ( 4164 PWs) bands (ev): -16.3406 -16.3402 -16.0331 -16.0323 -15.3661 -15.3651 -14.8032 -14.8030 -14.7658 -14.7655 -14.7491 -14.7487 -5.9068 -5.9059 -4.5814 -4.5791 -3.7529 -3.7513 -2.8422 -2.8405 -2.7775 -2.7766 -2.0231 -2.0226 -0.4992 -0.4925 -0.3946 -0.3890 -0.2939 -0.2907 0.3410 0.3438 0.4508 0.4517 0.7135 0.7136 0.8331 0.8376 1.2532 1.2539 1.4010 1.4032 1.9294 1.9296 2.1893 2.1922 2.5059 2.5095 11.0474 11.0502 11.6007 11.6030 12.1019 12.1032 12.5588 12.5602 13.0953 13.0955 k = 0.3939 0.4724-0.0000 ( 4164 PWs) bands (ev): -16.3268 -16.3263 -16.0462 -16.0454 -15.3683 -15.3674 -14.8030 -14.8028 -14.7653 -14.7649 -14.7497 -14.7494 -5.9106 -5.9098 -4.5424 -4.5401 -3.7985 -3.7969 -2.8366 -2.8349 -2.7733 -2.7723 -2.0162 -2.0157 -0.4910 -0.4838 -0.3954 -0.3895 -0.3060 -0.3031 0.3558 0.3581 0.4545 0.4553 0.6970 0.6972 0.8344 0.8385 1.2460 1.2471 1.3893 1.3918 1.9484 1.9485 2.1804 2.1830 2.5084 2.5116 11.0861 11.0890 11.6053 11.6079 12.0779 12.0793 12.6022 12.6036 13.0901 13.0902 k = 0.3864 0.4855-0.0000 ( 4168 PWs) bands (ev): -16.3120 -16.3116 -16.0603 -16.0595 -15.3704 -15.3695 -14.8028 -14.8026 -14.7646 -14.7643 -14.7504 -14.7502 -5.9141 -5.9133 -4.5016 -4.4993 -3.8449 -3.8431 -2.8309 -2.8291 -2.7708 -2.7697 -2.0095 -2.0090 -0.4828 -0.4752 -0.3968 -0.3906 -0.3172 -0.3145 0.3710 0.3729 0.4581 0.4589 0.6807 0.6810 0.8334 0.8371 1.2418 1.2433 1.3773 1.3799 1.9670 1.9671 2.1708 2.1730 2.5107 2.5136 11.1269 11.1298 11.6074 11.6101 12.0537 12.0552 12.6477 12.6490 13.0832 13.0836 k = 0.3788 0.4986-0.0000 ( 4180 PWs) bands (ev): -16.2964 -16.2959 -16.0755 -16.0747 -15.3722 -15.3714 -14.8026 -14.8024 -14.7639 -14.7636 -14.7512 -14.7510 -5.9173 -5.9166 -4.4593 -4.4570 -3.8918 -3.8900 -2.8250 -2.8231 -2.7697 -2.7685 -2.0031 -2.0026 -0.4747 -0.4668 -0.3987 -0.3924 -0.3273 -0.3248 0.3865 0.3878 0.4616 0.4622 0.6650 0.6656 0.8305 0.8336 1.2407 1.2426 1.3649 1.3677 1.9852 1.9853 2.1606 2.1625 2.5127 2.5153 11.1694 11.1724 11.6057 11.6086 12.0300 12.0315 12.6946 12.6957 13.0754 13.0760 k = 0.3712 0.5117-0.0000 ( 4184 PWs) bands (ev): -16.2799 -16.2794 -16.0916 -16.0908 -15.3737 -15.3730 -14.8025 -14.8023 -14.7632 -14.7629 -14.7521 -14.7520 -5.9200 -5.9194 -4.4155 -4.4133 -3.9392 -3.9374 -2.8189 -2.8170 -2.7701 -2.7688 -1.9972 -1.9968 -0.4668 -0.4585 -0.4014 -0.3948 -0.3360 -0.3338 0.4019 0.4027 0.4645 0.4649 0.6505 0.6512 0.8257 0.8284 1.2426 1.2450 1.3523 1.3553 2.0030 2.0030 2.1498 2.1513 2.5146 2.5168 11.2135 11.2165 11.5989 11.6019 12.0082 12.0097 12.7423 12.7431 13.0669 13.0678 k = 0.3636 0.5249-0.0000 ( 4180 PWs) bands (ev): -16.2625 -16.2620 -16.1086 -16.1079 -15.3749 -15.3743 -14.8023 -14.8022 -14.7623 -14.7621 -14.7530 -14.7530 -5.9222 -5.9217 -4.3705 -4.3683 -3.9869 -3.9851 -2.8128 -2.8108 -2.7718 -2.7703 -1.9920 -1.9917 -0.4590 -0.4505 -0.4048 -0.3981 -0.3433 -0.3415 0.4169 0.4172 0.4665 0.4669 0.6377 0.6384 0.8198 0.8219 1.2473 1.2501 1.3395 1.3426 2.0203 2.0203 2.1383 2.1394 2.5162 2.5180 11.2591 11.2621 11.5857 11.5887 11.9895 11.9908 12.7893 12.7897 13.0583 13.0595 k = 0.3561 0.5380-0.0000 ( 4190 PWs) bands (ev): -16.2444 -16.2438 -16.1266 -16.1259 -15.3758 -15.3754 -14.8022 -14.8021 -14.7614 -14.7612 -14.7540 -14.7539 -5.9240 -5.9236 -4.3244 -4.3222 -4.0350 -4.0332 -2.8067 -2.8046 -2.7746 -2.7730 -1.9877 -1.9874 -0.4514 -0.4427 -0.4090 -0.4022 -0.3491 -0.3477 0.4307 0.4310 0.4674 0.4678 0.6271 0.6278 0.8135 0.8150 1.2544 1.2577 1.3265 1.3298 2.0370 2.0371 2.1262 2.1268 2.5176 2.5189 11.3059 11.3088 11.5647 11.5677 11.9748 11.9760 12.8333 12.8333 13.0509 13.0522 k = 0.3485 0.5511-0.0000 ( 4190 PWs) bands (ev): -16.2254 -16.2249 -16.1454 -16.1447 -15.3764 -15.3761 -14.8022 -14.8021 -14.7605 -14.7604 -14.7551 -14.7548 -5.9253 -5.9250 -4.2773 -4.2752 -4.0834 -4.0815 -2.8006 -2.7985 -2.7785 -2.7767 -1.9844 -1.9842 -0.4442 -0.4351 -0.4139 -0.4071 -0.3532 -0.3523 0.4425 0.4435 0.4667 0.4671 0.6193 0.6199 0.8078 0.8087 1.2636 1.2673 1.3135 1.3169 2.0532 2.0533 2.1135 2.1136 2.5186 2.5195 11.3538 11.3566 11.5353 11.5382 11.9649 11.9657 12.8700 12.8705 13.0475 13.0488 k = 0.3409 0.5642-0.0000 ( 4198 PWs) bands (ev): -16.2058 -16.2052 -16.1650 -16.1644 -15.3767 -15.3766 -14.8021 -14.8020 -14.7597 -14.7596 -14.7561 -14.7556 -5.9260 -5.9259 -4.2295 -4.2274 -4.1320 -4.1301 -2.7947 -2.7926 -2.7831 -2.7813 -1.9823 -1.9822 -0.4376 -0.4278 -0.4191 -0.4128 -0.3557 -0.3552 0.4519 0.4536 0.4644 0.4648 0.6147 0.6150 0.8036 0.8040 1.2743 1.2785 1.3006 1.3040 2.0685 2.0687 2.0999 2.1003 2.5194 2.5198 11.4024 11.4051 11.4976 11.5002 11.9595 11.9599 12.8944 12.8949 13.0526 13.0533 k = 0.3333 0.5774-0.0000 ( 4206 PWs) bands (ev): -16.1861 -16.1848 -16.1847 -16.1847 -15.3768 -15.3768 -14.8021 -14.8021 -14.7593 -14.7593 -14.7565 -14.7560 -5.9262 -5.9262 -4.1838 -4.1799 -4.1778 -4.1778 -2.7901 -2.7875 -2.7875 -2.7858 -1.9816 -1.9816 -0.4339 -0.4224 -0.4224 -0.4176 -0.3563 -0.3563 0.4565 0.4595 0.4620 0.4620 0.6133 0.6133 0.8021 0.8021 1.2839 1.2902 1.2902 1.2919 2.0796 2.0796 2.0893 2.0903 2.5198 2.5198 11.4483 11.4533 11.4553 11.4553 11.9581 11.9581 12.9024 12.9024 13.0681 13.0683 k = 0.3333 0.5774-0.0000 ( 4206 PWs) bands (ev): -16.1861 -16.1848 -16.1847 -16.1847 -15.3768 -15.3768 -14.8021 -14.8021 -14.7593 -14.7593 -14.7565 -14.7560 -5.9262 -5.9262 -4.1838 -4.1799 -4.1778 -4.1778 -2.7901 -2.7875 -2.7875 -2.7858 -1.9816 -1.9816 -0.4339 -0.4224 -0.4224 -0.4176 -0.3563 -0.3563 0.4565 0.4595 0.4620 0.4620 0.6133 0.6133 0.8021 0.8021 1.2839 1.2902 1.2902 1.2919 2.0796 2.0796 2.0893 2.0903 2.5198 2.5198 11.4483 11.4533 11.4553 11.4553 11.9581 11.9581 12.9024 12.9024 13.0681 13.0682 k = 0.3256 0.5639-0.0000 ( 4194 PWs) bands (ev): -16.2069 -16.2063 -16.1638 -16.1632 -15.3767 -15.3766 -14.8021 -14.8020 -14.7598 -14.7596 -14.7560 -14.7556 -5.9260 -5.9259 -4.2309 -4.2289 -4.1305 -4.1287 -2.7951 -2.7928 -2.7829 -2.7809 -1.9824 -1.9823 -0.4381 -0.4282 -0.4188 -0.4122 -0.3556 -0.3551 0.4525 0.4550 0.4627 0.4642 0.6146 0.6150 0.8040 0.8044 1.2734 1.2780 1.3010 1.3050 2.0678 2.0686 2.1001 2.1009 2.5194 2.5198 11.3977 11.4001 11.5028 11.5050 11.9592 11.9597 12.8958 12.8965 13.0453 13.0461 k = 0.3178 0.5505-0.0000 ( 4186 PWs) bands (ev): -16.2291 -16.2285 -16.1417 -16.1410 -15.3765 -15.3761 -14.8022 -14.8020 -14.7608 -14.7604 -14.7549 -14.7546 -5.9252 -5.9249 -4.2809 -4.2789 -4.0799 -4.0781 -2.8018 -2.7993 -2.7776 -2.7755 -1.9848 -1.9846 -0.4462 -0.4367 -0.4124 -0.4050 -0.3526 -0.3519 0.4457 0.4485 0.4608 0.4628 0.6186 0.6196 0.8104 0.8110 1.2604 1.2650 1.3153 1.3195 2.0515 2.0528 2.1141 2.1149 2.5186 2.5195 11.3374 11.3394 11.5537 11.5557 11.9625 11.9634 12.8807 12.8820 13.0181 13.0191 k = 0.3101 0.5371-0.0000 ( 4178 PWs) bands (ev): -16.2518 -16.2513 -16.1189 -16.1181 -15.3760 -15.3755 -14.8022 -14.8020 -14.7619 -14.7613 -14.7536 -14.7534 -5.9239 -5.9235 -4.3310 -4.3290 -4.0290 -4.0273 -2.8089 -2.8063 -2.7725 -2.7704 -1.9890 -1.9886 -0.4556 -0.4462 -0.4057 -0.3980 -0.3473 -0.3463 0.4382 0.4414 0.4547 0.4569 0.6249 0.6264 0.8215 0.8223 1.2474 1.2522 1.3302 1.3346 2.0342 2.0360 2.1277 2.1285 2.5174 2.5187 11.2715 11.2733 11.6045 11.6062 11.9670 11.9683 12.8611 12.8628 12.9874 12.9883 k = 0.3023 0.5236-0.0000 ( 4178 PWs) bands (ev): -16.2750 -16.2746 -16.0955 -16.0948 -15.3753 -15.3747 -14.8023 -14.8020 -14.7631 -14.7623 -14.7522 -14.7521 -5.9220 -5.9214 -4.3811 -4.3791 -3.9779 -3.9764 -2.8163 -2.8135 -2.7679 -2.7658 -1.9949 -1.9944 -0.4658 -0.4564 -0.3994 -0.3914 -0.3393 -0.3382 0.4305 0.4342 0.4446 0.4470 0.6330 0.6351 0.8370 0.8378 1.2347 1.2396 1.3454 1.3501 2.0162 2.0183 2.1407 2.1417 2.5157 2.5174 11.2008 11.2025 11.6547 11.6562 11.9718 11.9736 12.8393 12.8413 12.9540 12.9548 k = 0.2946 0.5102-0.0000 ( 4176 PWs) bands (ev): -16.2987 -16.2982 -16.0716 -16.0708 -15.3746 -15.3737 -14.8023 -14.8020 -14.7641 -14.7632 -14.7507 -14.7507 -5.9196 -5.9189 -4.4312 -4.4292 -3.9269 -3.9255 -2.8239 -2.8209 -2.7638 -2.7617 -2.0026 -2.0020 -0.4767 -0.4672 -0.3937 -0.3855 -0.3285 -0.3272 0.4230 0.4269 0.4312 0.4338 0.6426 0.6453 0.8563 0.8572 1.2221 1.2272 1.3609 1.3657 1.9974 1.9999 2.1531 2.1542 2.5136 2.5157 11.1261 11.1276 11.7041 11.7051 11.9764 11.9786 12.8168 12.8191 12.9190 12.9197 k = 0.2868 0.4968-0.0000 ( 4172 PWs) bands (ev): -16.3226 -16.3222 -16.0473 -16.0465 -15.3737 -15.3727 -14.8024 -14.8020 -14.7651 -14.7641 -14.7492 -14.7492 -5.9166 -5.9158 -4.4812 -4.4792 -3.8760 -3.8747 -2.8316 -2.8284 -2.7601 -2.7581 -2.0122 -2.0114 -0.4881 -0.4783 -0.3886 -0.3804 -0.3147 -0.3133 0.4144 0.4159 0.4167 0.4222 0.6535 0.6567 0.8787 0.8795 1.2099 1.2152 1.3765 1.3813 1.9779 1.9807 2.1649 2.1662 2.5111 2.5136 11.0479 11.0492 11.7521 11.7528 11.9802 11.9829 12.7945 12.7969 12.8832 12.8836 k = 0.2791 0.4834-0.0000 ( 4164 PWs) bands (ev): -16.3469 -16.3465 -16.0225 -16.0217 -15.3727 -15.3716 -14.8024 -14.8019 -14.7660 -14.7648 -14.7477 -14.7477 -5.9131 -5.9122 -4.5310 -4.5291 -3.8253 -3.8241 -2.8393 -2.8359 -2.7571 -2.7550 -2.0235 -2.0225 -0.4997 -0.4898 -0.3842 -0.3758 -0.2981 -0.2966 0.3967 0.3983 0.4099 0.4158 0.6653 0.6690 0.9034 0.9043 1.1980 1.2035 1.3920 1.3969 1.9578 1.9609 2.1761 2.1776 2.5081 2.5109 10.9666 10.9678 11.7983 11.7985 11.9827 11.9860 12.7732 12.7756 12.8474 12.8475 k = 0.2713 0.4699-0.0000 ( 4168 PWs) bands (ev): -16.3713 -16.3709 -15.9974 -15.9966 -15.3718 -15.3705 -14.8024 -14.8019 -14.7667 -14.7654 -14.7462 -14.7461 -5.9092 -5.9081 -4.5807 -4.5788 -3.7750 -3.7739 -2.8469 -2.8434 -2.7546 -2.7525 -2.0365 -2.0354 -0.5114 -0.5014 -0.3802 -0.3718 -0.2789 -0.2773 0.3773 0.3790 0.4041 0.4104 0.6779 0.6822 0.9300 0.9309 1.1864 1.1921 1.4074 1.4124 1.9371 1.9405 2.1867 2.1883 2.5045 2.5076 10.8826 10.8838 11.8419 11.8421 11.9838 11.9875 12.7534 12.7557 12.8117 12.8120 k = 0.2636 0.4565-0.0000 ( 4164 PWs) bands (ev): -16.3958 -16.3955 -15.9720 -15.9712 -15.3708 -15.3694 -14.8023 -14.8017 -14.7672 -14.7658 -14.7446 -14.7444 -5.9047 -5.9035 -4.6302 -4.6283 -3.7251 -3.7241 -2.8544 -2.8507 -2.7527 -2.7507 -2.0513 -2.0499 -0.5231 -0.5129 -0.3766 -0.3682 -0.2574 -0.2556 0.3572 0.3589 0.3989 0.4057 0.6912 0.6960 0.9578 0.9588 1.1753 1.1812 1.4228 1.4278 1.9159 1.9196 2.1967 2.1985 2.5004 2.5038 10.7965 10.7975 11.8821 11.8829 11.9830 11.9872 12.7357 12.7379 12.7770 12.7777 k = 0.2558 0.4431-0.0000 ( 4160 PWs) bands (ev): -16.4204 -16.4201 -15.9464 -15.9455 -15.3699 -15.3684 -14.8022 -14.8015 -14.7676 -14.7660 -14.7430 -14.7428 -5.8998 -5.8985 -4.6794 -4.6776 -3.6758 -3.6749 -2.8617 -2.8579 -2.7514 -2.7494 -2.0677 -2.0661 -0.5345 -0.5242 -0.3734 -0.3649 -0.2337 -0.2318 0.3370 0.3386 0.3943 0.4015 0.7050 0.7103 0.9864 0.9875 1.1645 1.1706 1.4379 1.4430 1.8943 1.8982 2.2060 2.2080 2.4958 2.4995 10.7085 10.7094 11.9186 11.9201 11.9803 11.9851 12.7206 12.7226 12.7436 12.7448 k = 0.2481 0.4297-0.0000 ( 4156 PWs) bands (ev): -16.4449 -16.4446 -15.9206 -15.9197 -15.3691 -15.3674 -14.8020 -14.8013 -14.7678 -14.7661 -14.7414 -14.7412 -5.8945 -5.8931 -4.7283 -4.7265 -3.6272 -3.6264 -2.8688 -2.8647 -2.7508 -2.7488 -2.0855 -2.0838 -0.5455 -0.5350 -0.3703 -0.3619 -0.2084 -0.2063 0.3171 0.3187 0.3901 0.3978 0.7193 0.7251 1.0154 1.0167 1.1542 1.1605 1.4529 1.4580 1.8723 1.8764 2.2147 2.2169 2.4906 2.4945 10.6189 10.6197 11.9506 11.9527 11.9758 11.9811 12.7078 12.7096 12.7125 12.7140 k = 0.2403 0.4162-0.0000 ( 4144 PWs) bands (ev): -16.4693 -16.4691 -15.8947 -15.8938 -15.3683 -15.3665 -14.8017 -14.8009 -14.7677 -14.7659 -14.7399 -14.7395 -5.8889 -5.8873 -4.7769 -4.7752 -3.5792 -3.5786 -2.8756 -2.8713 -2.7508 -2.7489 -2.1049 -2.1029 -0.5559 -0.5453 -0.3675 -0.3592 -0.1817 -0.1795 0.2983 0.2999 0.3863 0.3944 0.7340 0.7402 1.0446 1.0461 1.1443 1.1509 1.4676 1.4728 1.8500 1.8543 2.2228 2.2252 2.4849 2.4890 10.5281 10.5288 11.9680 11.9721 11.9807 11.9818 12.6814 12.6836 12.6998 12.7007 k = 0.2326 0.4028-0.0000 ( 4138 PWs) bands (ev): -16.4936 -16.4934 -15.8688 -15.8678 -15.3677 -15.3658 -14.8013 -14.8005 -14.7675 -14.7656 -14.7383 -14.7379 -5.8828 -5.8812 -4.8251 -4.8234 -3.5321 -3.5316 -2.8820 -2.8776 -2.7513 -2.7495 -2.1255 -2.1233 -0.5656 -0.5550 -0.3648 -0.3567 -0.1545 -0.1521 0.2811 0.2828 0.3828 0.3913 0.7489 0.7555 1.0736 1.0753 1.1349 1.1417 1.4822 1.4875 1.8276 1.8320 2.2303 2.2329 2.4786 2.4829 10.4363 10.4369 11.9599 11.9659 12.0008 12.0041 12.6531 12.6559 12.6935 12.6938 k = 0.2248 0.3894-0.0000 ( 4138 PWs) bands (ev): -16.5177 -16.5175 -15.8429 -15.8419 -15.3672 -15.3652 -14.8009 -14.8000 -14.7669 -14.7650 -14.7367 -14.7362 -5.8765 -5.8748 -4.8729 -4.8712 -3.4859 -3.4854 -2.8881 -2.8835 -2.7525 -2.7507 -2.1472 -2.1448 -0.5745 -0.5638 -0.3623 -0.3544 -0.1276 -0.1249 0.2667 0.2685 0.3793 0.3882 0.7640 0.7711 1.1023 1.1042 1.1261 1.1330 1.4967 1.5020 1.8052 1.8097 2.2372 2.2399 2.4716 2.4761 10.3438 10.3444 11.9498 11.9564 12.0170 12.0211 12.6266 12.6299 12.6892 12.6897 k = 0.2171 0.3759-0.0000 ( 4134 PWs) bands (ev): -16.5414 -16.5412 -15.8171 -15.8161 -15.3668 -15.3648 -14.8003 -14.7993 -14.7662 -14.7642 -14.7351 -14.7346 -5.8698 -5.8680 -4.9201 -4.9185 -3.4406 -3.4403 -2.8938 -2.8890 -2.7542 -2.7525 -2.1700 -2.1674 -0.5824 -0.5716 -0.3601 -0.3523 -0.1023 -0.0993 0.2561 0.2580 0.3758 0.3850 0.7792 0.7867 1.1173 1.1244 1.1308 1.1329 1.5110 1.5164 1.7827 1.7874 2.2434 2.2463 2.4641 2.4687 10.2509 10.2514 11.9384 11.9454 12.0279 12.0328 12.6018 12.6055 12.6860 12.6874 k = 0.2093 0.3625-0.0000 ( 4142 PWs) bands (ev): -16.5648 -16.5647 -15.7914 -15.7904 -15.3666 -15.3645 -14.7996 -14.7985 -14.7652 -14.7632 -14.7336 -14.7330 -5.8629 -5.8611 -4.9667 -4.9652 -3.3963 -3.3961 -2.8990 -2.8941 -2.7564 -2.7548 -2.1937 -2.1908 -0.5893 -0.5785 -0.3580 -0.3505 -0.0800 -0.0767 0.2509 0.2529 0.3721 0.3815 0.7944 0.8023 1.1094 1.1169 1.1580 1.1605 1.5252 1.5307 1.7605 1.7652 2.2489 2.2521 2.4560 2.4607 10.1579 10.1583 11.9259 11.9333 12.0338 12.0393 12.5785 12.5827 12.6832 12.6855 k = 0.2016 0.3491-0.0000 ( 4142 PWs) bands (ev): -16.5879 -16.5877 -15.7660 -15.7650 -15.3666 -15.3644 -14.7988 -14.7976 -14.7640 -14.7619 -14.7321 -14.7315 -5.8558 -5.8539 -5.0128 -5.0113 -3.3531 -3.3530 -2.9039 -2.8988 -2.7591 -2.7575 -2.2182 -2.2150 -0.5951 -0.5842 -0.3562 -0.3489 -0.0624 -0.0590 0.2528 0.2548 0.3681 0.3778 0.8095 0.8179 1.1020 1.1097 1.1845 1.1874 1.5394 1.5450 1.7386 1.7434 2.2538 2.2571 2.4473 2.4521 10.0650 10.0654 11.9128 11.9206 12.0352 12.0414 12.5566 12.5612 12.6797 12.6829 k = 0.1938 0.3357-0.0000 ( 4146 PWs) bands (ev): -16.6104 -16.6103 -15.7410 -15.7400 -15.3667 -15.3645 -14.7978 -14.7966 -14.7626 -14.7605 -14.7306 -14.7300 -5.8485 -5.8466 -5.0581 -5.0567 -3.3111 -3.3110 -2.9083 -2.9031 -2.7622 -2.7607 -2.2432 -2.2398 -0.5996 -0.5887 -0.3547 -0.3477 -0.0510 -0.0474 0.2630 0.2650 0.3637 0.3735 0.8246 0.8334 1.0950 1.1030 1.2101 1.2134 1.5535 1.5592 1.7172 1.7220 2.2580 2.2615 2.4380 2.4429 9.9724 9.9728 11.8995 11.9076 12.0329 12.0395 12.5359 12.5408 12.6743 12.6785 k = 0.1860 0.3222-0.0000 ( 4146 PWs) bands (ev): -16.6325 -16.6324 -15.7163 -15.7153 -15.3670 -15.3648 -14.7967 -14.7954 -14.7610 -14.7588 -14.7292 -14.7285 -5.8411 -5.8391 -5.1026 -5.1012 -3.2703 -3.2701 -2.9122 -2.9068 -2.7656 -2.7642 -2.2686 -2.2650 -0.6029 -0.5920 -0.3535 -0.3468 -0.0461 -0.0426 0.2819 0.2838 0.3586 0.3686 0.8395 0.8486 1.0885 1.0968 1.2347 1.2383 1.5676 1.5734 1.6964 1.7012 2.2615 2.2652 2.4282 2.4331 9.8805 9.8808 11.8864 11.8947 12.0275 12.0346 12.5163 12.5215 12.6666 12.6716 k = 0.1783 0.3088-0.0000 ( 4148 PWs) bands (ev): -16.6540 -16.6539 -15.6921 -15.6911 -15.3675 -15.3653 -14.7954 -14.7941 -14.7591 -14.7569 -14.7278 -14.7270 -5.8336 -5.8315 -5.1463 -5.1450 -3.2308 -3.2305 -2.9156 -2.9101 -2.7694 -2.7680 -2.2944 -2.2906 -0.6049 -0.5940 -0.3527 -0.3463 -0.0471 -0.0436 0.3086 0.3103 0.3530 0.3630 0.8541 0.8637 1.0825 1.0911 1.2581 1.2621 1.5817 1.5877 1.6764 1.6812 2.2643 2.2681 2.4178 2.4228 9.7895 9.7898 11.8738 11.8822 12.0197 12.0272 12.4976 12.5031 12.6562 12.6620 k = 0.1705 0.2954-0.0000 ( 4140 PWs) bands (ev): -16.6749 -16.6748 -15.6685 -15.6674 -15.3681 -15.3659 -14.7940 -14.7926 -14.7571 -14.7549 -14.7265 -14.7256 -5.8260 -5.8239 -5.1890 -5.1878 -3.1926 -3.1922 -2.9186 -2.9130 -2.7733 -2.7720 -2.3203 -2.3163 -0.6056 -0.5947 -0.3523 -0.3463 -0.0525 -0.0492 0.3396 0.3429 0.3484 0.3567 0.8684 0.8784 1.0770 1.0858 1.2804 1.2848 1.5957 1.6020 1.6573 1.6620 2.2664 2.2703 2.4070 2.4119 9.6996 9.6998 11.8619 11.8705 12.0103 12.0180 12.4797 12.4854 12.6432 12.6496 k = 0.1628 0.2820-0.0000 ( 4150 PWs) bands (ev): -16.6952 -16.6951 -15.6454 -15.6444 -15.3689 -15.3667 -14.7924 -14.7909 -14.7549 -14.7527 -14.7252 -14.7243 -5.8183 -5.8163 -5.2307 -5.2295 -3.1558 -3.1553 -2.9210 -2.9153 -2.7773 -2.7762 -2.3463 -2.3420 -0.6049 -0.5940 -0.3523 -0.3467 -0.0611 -0.0579 0.3381 0.3487 0.3801 0.3808 0.8824 0.8927 1.0720 1.0811 1.3016 1.3062 1.6094 1.6162 1.6396 1.6438 2.2678 2.2718 2.3957 2.4006 9.6111 9.6113 11.8511 11.8598 11.9996 12.0076 12.4625 12.4684 12.6278 12.6347 k = 0.1550 0.2685-0.0000 ( 4150 PWs) bands (ev): -16.7148 -16.7147 -15.6230 -15.6220 -15.3698 -15.3677 -14.7907 -14.7891 -14.7526 -14.7504 -14.7240 -14.7230 -5.8108 -5.8087 -5.2713 -5.2702 -3.1205 -3.1199 -2.9230 -2.9172 -2.7814 -2.7804 -2.3721 -2.3677 -0.6029 -0.5921 -0.3528 -0.3476 -0.0715 -0.0684 0.3297 0.3403 0.4208 0.4214 0.8959 0.9065 1.0674 1.0768 1.3216 1.3265 1.6173 1.6256 1.6288 1.6316 2.2684 2.2725 2.3840 2.3889 9.5242 9.5244 11.8416 11.8503 11.9882 11.9963 12.4461 12.4521 12.6103 12.6176 k = 0.1473 0.2551-0.0000 ( 4150 PWs) bands (ev): -16.7337 -16.7336 -15.6014 -15.6004 -15.3709 -15.3688 -14.7887 -14.7871 -14.7501 -14.7480 -14.7228 -14.7218 -5.8032 -5.8012 -5.3107 -5.3096 -3.0868 -3.0860 -2.9244 -2.9185 -2.7853 -2.7845 -2.3977 -2.3931 -0.5995 -0.5887 -0.3539 -0.3491 -0.0829 -0.0798 0.3202 0.3307 0.4638 0.4643 0.9089 0.9199 1.0632 1.0730 1.3404 1.3457 1.6047 1.6104 1.6400 1.6452 2.2683 2.2724 2.3719 2.3767 9.4392 9.4394 11.8335 11.8422 11.9763 11.9846 12.4303 12.4364 12.5912 12.5988 k = 0.1395 0.2417-0.0000 ( 4154 PWs) bands (ev): -16.7518 -16.7517 -15.5806 -15.5796 -15.3720 -15.3699 -14.7866 -14.7850 -14.7476 -14.7456 -14.7217 -14.7207 -5.7958 -5.7938 -5.3487 -5.3478 -3.0548 -3.0538 -2.9254 -2.9194 -2.7891 -2.7884 -2.4230 -2.4182 -0.5948 -0.5841 -0.3555 -0.3511 -0.0947 -0.0916 0.3094 0.3199 0.5081 0.5085 0.9213 0.9327 1.0595 1.0697 1.3582 1.3637 1.5905 1.5959 1.6539 1.6594 2.2674 2.2716 2.3596 2.3643 9.3564 9.3565 11.8269 11.8356 11.9645 11.9728 12.4153 12.4215 12.5709 12.5787 k = 0.1318 0.2283-0.0000 ( 4156 PWs) bands (ev): -16.7691 -16.7691 -15.5606 -15.5596 -15.3732 -15.3712 -14.7844 -14.7827 -14.7450 -14.7430 -14.7207 -14.7196 -5.7885 -5.7865 -5.3855 -5.3846 -3.0246 -3.0234 -2.9258 -2.9198 -2.7924 -2.7919 -2.4479 -2.4429 -0.5888 -0.5783 -0.3578 -0.3538 -0.1063 -0.1032 0.2975 0.3079 0.5530 0.5532 0.9332 0.9449 1.0562 1.0668 1.3749 1.3806 1.5774 1.5826 1.6681 1.6737 2.2657 2.2699 2.3470 2.3516 9.2760 9.2761 11.8219 11.8305 11.9527 11.9610 12.4011 12.4072 12.5498 12.5576 k = 0.1240 0.2148-0.0000 ( 4160 PWs) bands (ev): -16.7856 -16.7856 -15.5416 -15.5406 -15.3745 -15.3726 -14.7820 -14.7803 -14.7424 -14.7405 -14.7198 -14.7186 -5.7813 -5.7794 -5.4207 -5.4199 -2.9966 -2.9951 -2.9258 -2.9198 -2.7952 -2.7949 -2.4722 -2.4670 -0.5816 -0.5712 -0.3606 -0.3571 -0.1175 -0.1144 0.2845 0.2948 0.5979 0.5980 0.9444 0.9565 1.0533 1.0643 1.3905 1.3964 1.5657 1.5708 1.6822 1.6879 2.2634 2.2676 2.3343 2.3388 9.1983 9.1984 11.8184 11.8268 11.9413 11.9496 12.3877 12.3938 12.5283 12.5361 k = 0.1163 0.2014-0.0000 ( 4158 PWs) bands (ev): -16.8013 -16.8013 -15.5235 -15.5226 -15.3758 -15.3740 -14.7795 -14.7778 -14.7397 -14.7379 -14.7189 -14.7177 -5.7744 -5.7725 -5.4544 -5.4536 -2.9709 -2.9691 -2.9251 -2.9193 -2.7970 -2.7970 -2.4958 -2.4906 -0.5732 -0.5629 -0.3640 -0.3609 -0.1280 -0.1249 0.2704 0.2806 0.6423 0.6423 0.9549 0.9674 1.0508 1.0621 1.4053 1.4112 1.5555 1.5604 1.6963 1.7019 2.2603 2.2644 2.3215 2.3259 9.1236 9.1236 11.8164 11.8247 11.9304 11.9386 12.3752 12.3813 12.5066 12.5144 k = 0.1085 0.1880-0.0000 ( 4146 PWs) bands (ev): -16.8161 -16.8160 -15.5065 -15.5056 -15.3771 -15.3754 -14.7769 -14.7751 -14.7371 -14.7353 -14.7181 -14.7168 -5.7677 -5.7659 -5.4864 -5.4857 -2.9483 -2.9459 -2.9238 -2.9183 -2.7978 -2.7976 -2.5187 -2.5134 -0.5637 -0.5536 -0.3679 -0.3652 -0.1377 -0.1346 0.2553 0.2653 0.6857 0.6857 0.9647 0.9775 1.0487 1.0604 1.4191 1.4251 1.5466 1.5514 1.7103 1.7158 2.2566 2.2606 2.3088 2.3130 9.0520 9.0521 11.8158 11.8238 11.9201 11.9281 12.3638 12.3697 12.4852 12.4928 k = 0.1008 0.1745-0.0000 ( 4138 PWs) bands (ev): -16.8299 -16.8299 -15.4905 -15.4896 -15.3785 -15.3769 -14.7742 -14.7724 -14.7345 -14.7329 -14.7174 -14.7161 -5.7613 -5.7596 -5.5166 -5.5160 -2.9304 -2.9259 -2.9205 -2.9168 -2.7968 -2.7963 -2.5409 -2.5354 -0.5532 -0.5433 -0.3723 -0.3700 -0.1465 -0.1435 0.2393 0.2491 0.7277 0.7279 0.9738 0.9870 1.0469 1.0590 1.4320 1.4379 1.5392 1.5438 1.7241 1.7294 2.2523 2.2562 2.2962 2.3002 8.9840 8.9840 11.8165 11.8242 11.9105 11.9183 12.3534 12.3591 12.4641 12.4715 k = 0.0930 0.1611-0.0000 ( 4132 PWs) bands (ev): -16.8428 -16.8428 -15.4756 -15.4748 -15.3798 -15.3783 -14.7715 -14.7697 -14.7320 -14.7304 -14.7167 -14.7154 -5.7552 -5.7536 -5.5451 -5.5445 -2.9230 -2.9152 -2.9099 -2.9094 -2.7936 -2.7928 -2.5621 -2.5566 -0.5418 -0.5322 -0.3770 -0.3750 -0.1544 -0.1515 0.2226 0.2321 0.7681 0.7683 0.9822 0.9956 1.0455 1.0580 1.4440 1.4499 1.5331 1.5375 1.7376 1.7427 2.2474 2.2511 2.2839 2.2876 8.9196 8.9197 11.8182 11.8256 11.9017 11.9091 12.3441 12.3497 12.4438 12.4509 k = 0.0853 0.1477-0.0000 ( 4130 PWs) bands (ev): -16.8548 -16.8548 -15.4619 -15.4611 -15.3811 -15.3797 -14.7687 -14.7669 -14.7296 -14.7282 -14.7162 -14.7149 -5.7495 -5.7480 -5.5716 -5.5710 -2.9200 -2.9129 -2.8986 -2.8974 -2.7877 -2.7867 -2.5823 -2.5768 -0.5297 -0.5203 -0.3820 -0.3803 -0.1614 -0.1586 0.2053 0.2145 0.8065 0.8068 0.9898 1.0034 1.0445 1.0573 1.4553 1.4609 1.5283 1.5324 1.7508 1.7556 2.2420 2.2455 2.2721 2.2755 8.8593 8.8593 11.8208 11.8278 11.8936 11.9007 12.3360 12.3414 12.4243 12.4311 k = 0.0775 0.1343-0.0000 ( 4114 PWs) bands (ev): -16.8658 -16.8658 -15.4493 -15.4486 -15.3824 -15.3811 -14.7659 -14.7642 -14.7273 -14.7260 -14.7157 -14.7144 -5.7442 -5.7428 -5.5961 -5.5956 -2.9171 -2.9104 -2.8907 -2.8892 -2.7793 -2.7783 -2.6014 -2.5960 -0.5169 -0.5079 -0.3871 -0.3857 -0.1676 -0.1649 0.1877 0.1965 0.8425 0.8428 0.9966 1.0102 1.0440 1.0568 1.4657 1.4711 1.5246 1.5285 1.7636 1.7680 2.2363 2.2394 2.2607 2.2638 8.8032 8.8032 11.8241 11.8306 11.8864 11.8931 12.3292 12.3342 12.4059 12.4123 k = 0.0698 0.1208-0.0000 ( 4118 PWs) bands (ev): -16.8758 -16.8758 -15.4379 -15.4372 -15.3835 -15.3824 -14.7632 -14.7615 -14.7252 -14.7240 -14.7153 -14.7140 -5.7392 -5.7379 -5.6185 -5.6181 -2.9140 -2.9076 -2.8857 -2.8843 -2.7692 -2.7682 -2.6194 -2.6141 -0.5038 -0.4952 -0.3922 -0.3911 -0.1729 -0.1704 0.1699 0.1784 0.8758 0.8762 1.0028 1.0161 1.0439 1.0567 1.4752 1.4803 1.5219 1.5255 1.7759 1.7799 2.2302 2.2330 2.2501 2.2527 8.7516 8.7516 11.8277 11.8337 11.8801 11.8863 12.3236 12.3283 12.3887 12.3947 k = 0.0620 0.1074-0.0000 ( 4113 PWs) bands (ev): -16.8848 -16.8848 -15.4276 -15.4270 -15.3846 -15.3836 -14.7606 -14.7590 -14.7233 -14.7222 -14.7149 -14.7137 -5.7347 -5.7336 -5.6388 -5.6384 -2.9107 -2.9045 -2.8830 -2.8817 -2.7583 -2.7574 -2.6360 -2.6309 -0.4905 -0.4825 -0.3972 -0.3962 -0.1775 -0.1752 0.1525 0.1604 0.9061 0.9067 1.0083 1.0210 1.0444 1.0567 1.4840 1.4887 1.5201 1.5234 1.7875 1.7912 2.2240 2.2263 2.2403 2.2424 8.7048 8.7048 11.8315 11.8369 11.8748 11.8803 12.3191 12.3234 12.3729 12.3784 k = 0.0543 0.0940-0.0000 ( 4113 PWs) bands (ev): -16.8928 -16.8928 -15.4186 -15.4180 -15.3856 -15.3847 -14.7581 -14.7566 -14.7215 -14.7206 -14.7146 -14.7135 -5.7307 -5.7297 -5.6568 -5.6565 -2.9072 -2.9014 -2.8818 -2.8806 -2.7474 -2.7465 -2.6513 -2.6465 -0.4774 -0.4699 -0.4018 -0.4011 -0.1814 -0.1793 0.1356 0.1430 0.9332 0.9339 1.0132 1.0247 1.0456 1.0569 1.4918 1.4961 1.5191 1.5220 1.7983 1.8016 2.2178 2.2195 2.2316 2.2331 8.6628 8.6628 11.8353 11.8399 11.8704 11.8752 12.3158 12.3196 12.3587 12.3636 k = 0.0465 0.0806-0.0000 ( 4107 PWs) bands (ev): -16.8997 -16.8997 -15.4107 -15.4103 -15.3865 -15.3857 -14.7558 -14.7544 -14.7200 -14.7193 -14.7143 -14.7133 -5.7271 -5.7262 -5.6726 -5.6723 -2.9036 -2.8982 -2.8814 -2.8805 -2.7372 -2.7364 -2.6650 -2.6605 -0.4647 -0.4579 -0.4061 -0.4055 -0.1846 -0.1828 0.1196 0.1264 0.9567 0.9577 1.0177 1.0274 1.0474 1.0573 1.4988 1.5025 1.5186 1.5211 1.8083 1.8111 2.2117 2.2128 2.2238 2.2248 8.6260 8.6261 11.8388 11.8425 11.8670 11.8710 12.3134 12.3168 12.3462 12.3505 k = 0.0388 0.0671-0.0000 ( 4115 PWs) bands (ev): -16.9056 -16.9056 -15.4041 -15.4037 -15.3873 -15.3866 -14.7537 -14.7524 -14.7188 -14.7182 -14.7140 -14.7131 -5.7241 -5.7233 -5.6860 -5.6858 -2.9000 -2.8952 -2.8816 -2.8808 -2.7281 -2.7273 -2.6769 -2.6730 -0.4528 -0.4468 -0.4099 -0.4095 -0.1873 -0.1857 0.1051 0.1110 0.9763 0.9776 1.0221 1.0295 1.0496 1.0577 1.5048 1.5079 1.5185 1.5206 1.8171 1.8195 2.2059 2.2066 2.2172 2.2177 8.5946 8.5946 11.8417 11.8445 11.8646 11.8676 12.3119 12.3148 12.3354 12.3391 k = 0.0310 0.0537-0.0000 ( 4125 PWs) bands (ev): -16.9105 -16.9105 -15.3986 -15.3983 -15.3879 -15.3873 -14.7518 -14.7508 -14.7178 -14.7175 -14.7136 -14.7130 -5.7215 -5.7209 -5.6970 -5.6969 -2.8966 -2.8925 -2.8819 -2.8813 -2.7204 -2.7197 -2.6869 -2.6837 -0.4421 -0.4371 -0.4131 -0.4128 -0.1894 -0.1881 0.0925 0.0975 0.9915 0.9933 1.0266 1.0315 1.0519 1.0581 1.5098 1.5123 1.5188 1.5204 1.8248 1.8267 2.2008 2.2011 2.2116 2.2117 8.5686 8.5686 11.8439 11.8457 11.8633 11.8652 12.3111 12.3133 12.3266 12.3295 k = 0.0233 0.0403-0.0000 ( 4129 PWs) bands (ev): -16.9142 -16.9142 -15.3944 -15.3941 -15.3884 -15.3879 -14.7503 -14.7495 -14.7171 -14.7170 -14.7132 -14.7128 -5.7195 -5.7191 -5.7057 -5.7055 -2.8936 -2.8903 -2.8822 -2.8819 -2.7145 -2.7136 -2.6947 -2.6924 -0.4331 -0.4291 -0.4157 -0.4155 -0.1909 -0.1900 0.0822 0.0861 1.0021 1.0044 1.0314 1.0338 1.0541 1.0585 1.5138 1.5155 1.5194 1.5204 1.8310 1.8324 2.1965 2.1966 2.2071 2.2071 8.5483 8.5483 11.8454 11.8462 11.8628 11.8638 12.3107 12.3123 12.3198 12.3220 k = 0.0155 0.0269-0.0000 ( 4137 PWs) bands (ev): -16.9169 -16.9169 -15.3913 -15.3912 -15.3887 -15.3884 -14.7491 -14.7486 -14.7167 -14.7166 -14.7129 -14.7127 -5.7181 -5.7178 -5.7119 -5.7118 -2.8911 -2.8888 -2.8825 -2.8823 -2.7106 -2.7096 -2.6997 -2.6986 -0.4261 -0.4232 -0.4175 -0.4175 -0.1920 -0.1913 0.0747 0.0774 1.0088 1.0109 1.0358 1.0366 1.0561 1.0587 1.5167 1.5175 1.5201 1.5205 1.8356 1.8366 2.1932 2.1933 2.2037 2.2038 8.5337 8.5337 11.8461 11.8464 11.8627 11.8631 12.3106 12.3115 12.3152 12.3165 k = 0.0078 0.0134-0.0000 ( 4137 PWs) bands (ev): -16.9186 -16.9186 -15.3895 -15.3894 -15.3888 -15.3887 -14.7484 -14.7481 -14.7165 -14.7165 -14.7127 -14.7126 -5.7172 -5.7170 -5.7156 -5.7155 -2.8893 -2.8881 -2.8826 -2.8825 -2.7091 -2.7081 -2.7018 -2.7016 -0.4215 -0.4198 -0.4187 -0.4185 -0.1925 -0.1922 0.0703 0.0717 1.0125 1.0137 1.0390 1.0391 1.0575 1.0588 1.5183 1.5185 1.5207 1.5208 1.8385 1.8390 2.1912 2.1912 2.2017 2.2017 8.5249 8.5249 11.8464 11.8464 11.8628 11.8629 12.3104 12.3105 12.3129 12.3132 k = 0.0000 0.0000 0.0000 ( 4145 PWs) bands (ev): -16.9191 -16.9191 -15.3889 -15.3889 -15.3888 -15.3888 -14.7480 -14.7480 -14.7164 -14.7164 -14.7126 -14.7126 -5.7169 -5.7169 -5.7167 -5.7167 -2.8883 -2.8883 -2.8826 -2.8826 -2.7086 -2.7086 -2.7021 -2.7021 -0.4197 -0.4197 -0.4186 -0.4186 -0.1926 -0.1926 0.0693 0.0693 1.0141 1.0141 1.0400 1.0400 1.0584 1.0584 1.5188 1.5188 1.5210 1.5210 1.8397 1.8397 2.1905 2.1905 2.2010 2.2010 8.5220 8.5220 11.8464 11.8464 11.8628 11.8628 12.3101 12.3101 12.3123 12.3123 k = 0.0000 0.0000 0.0000 ( 4145 PWs) bands (ev): -16.9191 -16.9191 -15.3889 -15.3889 -15.3888 -15.3888 -14.7480 -14.7480 -14.7164 -14.7164 -14.7126 -14.7126 -5.7169 -5.7169 -5.7167 -5.7167 -2.8883 -2.8883 -2.8826 -2.8826 -2.7086 -2.7086 -2.7021 -2.7021 -0.4197 -0.4197 -0.4186 -0.4186 -0.1926 -0.1926 0.0693 0.0693 1.0141 1.0141 1.0400 1.0400 1.0584 1.0584 1.5188 1.5188 1.5210 1.5210 1.8397 1.8397 2.1905 2.1905 2.2010 2.2010 8.5220 8.5220 11.8464 11.8464 11.8628 11.8628 12.3101 12.3101 12.3123 12.3123 k = 0.0000 0.0000 0.0152 ( 4145 PWs) bands (ev): -16.9186 -16.9186 -15.4249 -15.4248 -15.3534 -15.3533 -14.7481 -14.7479 -14.7176 -14.7153 -14.7137 -14.7115 -5.7808 -5.7806 -5.6519 -5.6517 -2.8940 -2.8908 -2.8814 -2.8785 -2.7328 -2.7262 -2.6839 -2.6775 -0.4338 -0.4326 -0.4048 -0.4038 -0.1923 -0.1921 0.0700 0.0707 1.0116 1.0156 1.0375 1.0420 1.0567 1.0572 1.4973 1.4993 1.5368 1.5393 1.8402 1.8406 2.1780 2.1883 2.2053 2.2160 8.5248 8.5248 11.8282 11.8452 11.8636 11.8794 12.2905 12.2930 12.3294 12.3312 k = 0.0000 0.0000 0.0303 ( 4139 PWs) bands (ev): -16.9169 -16.9169 -15.4612 -15.4612 -15.3183 -15.3183 -14.7481 -14.7478 -14.7187 -14.7147 -14.7141 -14.7104 -5.8434 -5.8433 -5.5860 -5.5858 -2.9018 -2.8982 -2.8780 -2.8751 -2.7565 -2.7498 -2.6588 -2.6525 -0.4469 -0.4457 -0.3892 -0.3883 -0.1911 -0.1908 0.0727 0.0741 1.0081 1.0161 1.0343 1.0433 1.0519 1.0533 1.4727 1.4747 1.5509 1.5538 1.8422 1.8429 2.1683 2.1783 2.2218 2.2326 8.5335 8.5335 11.8098 11.8272 11.8793 11.8942 12.2699 12.2725 12.3488 12.3502 k = 0.0000 0.0000 0.0455 ( 4127 PWs) bands (ev): -16.9142 -16.9142 -15.4979 -15.4979 -15.2838 -15.2838 -14.7482 -14.7477 -14.7198 -14.7158 -14.7129 -14.7093 -5.9049 -5.9047 -5.5191 -5.5189 -2.9110 -2.9073 -2.8759 -2.8732 -2.7796 -2.7729 -2.6333 -2.6270 -0.4591 -0.4578 -0.3730 -0.3722 -0.1892 -0.1887 0.0774 0.0795 1.0037 1.0149 1.0305 1.0441 1.0442 1.0471 1.4456 1.4474 1.5609 1.5641 1.8456 1.8467 2.1619 2.1714 2.2396 2.2505 8.5478 8.5479 11.7916 11.8094 11.8928 11.9068 12.2478 12.2504 12.3692 12.3701 k = 0.0000 0.0000 0.0606 ( 4127 PWs) bands (ev): -16.9103 -16.9103 -15.5349 -15.5348 -15.2500 -15.2499 -14.7482 -14.7475 -14.7210 -14.7168 -14.7118 -14.7083 -5.9649 -5.9648 -5.4514 -5.4512 -2.9216 -2.9177 -2.8752 -2.8727 -2.8021 -2.7953 -2.6074 -2.6013 -0.4701 -0.4687 -0.3565 -0.3557 -0.1864 -0.1858 0.0840 0.0869 0.9980 1.0109 1.0260 1.0340 1.0400 1.0442 1.4163 1.4179 1.5666 1.5702 1.8505 1.8519 2.1588 2.1680 2.2581 2.2690 8.5678 8.5679 11.7741 11.7922 11.9034 11.9164 12.2236 12.2263 12.3911 12.3913 k = 0.0000 0.0000 0.0758 ( 4133 PWs) bands (ev): -16.9054 -16.9054 -15.5722 -15.5721 -15.2167 -15.2167 -14.7482 -14.7474 -14.7221 -14.7179 -14.7106 -14.7072 -6.0236 -6.0234 -5.3830 -5.3828 -2.9334 -2.9295 -2.8760 -2.8738 -2.8239 -2.8171 -2.5813 -2.5754 -0.4798 -0.4784 -0.3396 -0.3389 -0.1828 -0.1821 0.0925 0.0961 0.9905 1.0023 1.0208 1.0218 1.0339 1.0438 1.3850 1.3866 1.5679 1.5719 1.8567 1.8585 2.1594 2.1680 2.2769 2.2878 8.5934 8.5934 11.7577 11.7760 11.9108 11.9226 12.1970 12.1997 12.4145 12.4151 k = 0.0000 0.0000 0.0909 ( 4121 PWs) bands (ev): -16.8994 -16.8994 -15.6096 -15.6095 -15.1842 -15.1842 -14.7481 -14.7472 -14.7231 -14.7189 -14.7094 -14.7061 -6.0807 -6.0806 -5.3140 -5.3137 -2.9465 -2.9424 -2.8782 -2.8763 -2.8450 -2.8382 -2.5550 -2.5492 -0.4882 -0.4868 -0.3226 -0.3220 -0.1784 -0.1775 0.1028 0.1071 0.9801 0.9884 1.0090 1.0150 1.0297 1.0429 1.3522 1.3537 1.5652 1.5696 1.8643 1.8665 2.1634 2.1715 2.2957 2.3066 8.6244 8.6245 11.7428 11.7613 11.9146 11.9252 12.1678 12.1704 12.4400 12.4414 k = 0.0000 0.0000 0.1061 ( 4133 PWs) bands (ev): -16.8923 -16.8923 -15.6471 -15.6470 -15.1525 -15.1524 -14.7481 -14.7470 -14.7242 -14.7200 -14.7083 -14.7051 -6.1362 -6.1361 -5.2444 -5.2442 -2.9608 -2.9567 -2.8818 -2.8803 -2.8653 -2.8586 -2.5286 -2.5229 -0.4952 -0.4937 -0.3056 -0.3050 -0.1731 -0.1722 0.1148 0.1197 0.9652 0.9701 0.9972 1.0085 1.0266 1.0414 1.3182 1.3195 1.5588 1.5636 1.8733 1.8758 2.1706 2.1782 2.3140 2.3249 8.6608 8.6608 11.7298 11.7484 11.9146 11.9240 12.1356 12.1381 12.4680 12.4702 k = 0.0000 0.0000 0.1213 ( 4133 PWs) bands (ev): -16.8841 -16.8841 -15.6848 -15.6847 -15.1216 -15.1215 -14.7480 -14.7468 -14.7253 -14.7210 -14.7072 -14.7041 -6.1901 -6.1899 -5.1744 -5.1741 -2.9763 -2.9722 -2.8873 -2.8868 -2.8834 -2.8782 -2.5022 -2.4966 -0.5007 -0.4991 -0.2887 -0.2882 -0.1670 -0.1661 0.1284 0.1339 0.9456 0.9484 0.9869 1.0012 1.0240 1.0395 1.2831 1.2843 1.5493 1.5544 1.8836 1.8865 2.1805 2.1876 2.3317 2.3425 8.7023 8.7023 11.7188 11.7376 11.9110 11.9192 12.1002 12.1026 12.4986 12.5016 k = 0.0000 0.0000 0.1364 ( 4132 PWs) bands (ev): -16.8749 -16.8749 -15.7225 -15.7224 -15.0916 -15.0915 -14.7479 -14.7466 -14.7263 -14.7219 -14.7061 -14.7031 -6.2421 -6.2420 -5.1040 -5.1038 -2.9930 -2.9889 -2.9045 -2.8971 -2.8931 -2.8917 -2.4757 -2.4704 -0.5046 -0.5029 -0.2721 -0.2716 -0.1602 -0.1593 0.1433 0.1494 0.9224 0.9240 0.9773 0.9932 1.0215 1.0371 1.2472 1.2483 1.5372 1.5425 1.8951 1.8984 2.1927 2.1993 2.3483 2.3592 8.7488 8.7488 11.7102 11.7290 11.9038 11.9110 12.0615 12.0638 12.5317 12.5353 k = 0.0000 0.0000 0.1516 ( 4120 PWs) bands (ev): -16.8646 -16.8646 -15.7601 -15.7600 -15.0625 -15.0624 -14.7478 -14.7463 -14.7273 -14.7229 -14.7050 -14.7021 -6.2924 -6.2923 -5.0334 -5.0332 -3.0109 -3.0069 -2.9224 -2.9152 -2.9006 -2.8997 -2.4494 -2.4442 -0.5069 -0.5051 -0.2559 -0.2554 -0.1526 -0.1517 0.1596 0.1663 0.8964 0.8974 0.9678 0.9844 1.0188 1.0343 1.2108 1.2116 1.5232 1.5287 1.9079 1.9116 2.2066 2.2127 2.3639 2.3747 8.8001 8.8001 11.7040 11.7229 11.8935 11.8997 12.0195 12.0217 12.5671 12.5712 k = 0.0000 0.0000 0.1667 ( 4138 PWs) bands (ev): -16.8532 -16.8532 -15.7978 -15.7977 -15.0344 -15.0343 -14.7477 -14.7461 -14.7283 -14.7239 -14.7039 -14.7012 -6.3407 -6.3406 -4.9627 -4.9624 -3.0301 -3.0262 -2.9397 -2.9324 -2.9092 -2.9087 -2.4233 -2.4183 -0.5075 -0.5057 -0.2402 -0.2397 -0.1444 -0.1436 0.1770 0.1842 0.8683 0.8689 0.9578 0.9747 1.0160 1.0312 1.1739 1.1745 1.5078 1.5134 1.9219 1.9259 2.2217 2.2275 2.3780 2.3887 8.8559 8.8560 11.7004 11.7193 11.8805 11.8857 11.9739 11.9761 12.6044 12.6090 k = 0.0000 0.0000 0.1819 ( 4138 PWs) bands (ev): -16.8408 -16.8408 -15.8354 -15.8353 -15.0073 -15.0073 -14.7476 -14.7458 -14.7292 -14.7248 -14.7029 -14.7002 -6.3871 -6.3870 -4.8919 -4.8916 -3.0506 -3.0469 -2.9560 -2.9488 -2.9187 -2.9186 -2.3975 -2.3926 -0.5063 -0.5044 -0.2252 -0.2247 -0.1355 -0.1348 0.1954 0.2031 0.8387 0.8390 0.9472 0.9641 1.0130 1.0277 1.1370 1.1371 1.4916 1.4972 1.9370 1.9414 2.2377 2.2431 2.3906 2.4013 8.9162 8.9163 11.6993 11.7182 11.8651 11.8695 11.9252 11.9273 12.6433 12.6482 k = 0.0000 0.0000 0.1970 ( 4138 PWs) bands (ev): -16.8274 -16.8273 -15.8728 -15.8727 -14.9814 -14.9813 -14.7474 -14.7455 -14.7301 -14.7257 -14.7019 -14.6994 -6.4314 -6.4313 -4.8212 -4.8209 -3.0725 -3.0690 -2.9715 -2.9642 -2.9293 -2.9290 -2.3720 -2.3674 -0.5034 -0.5014 -0.2109 -0.2105 -0.1263 -0.1257 0.2145 0.2227 0.8080 0.8082 0.9359 0.9524 1.0099 1.0241 1.0998 1.1001 1.4750 1.4804 1.9532 1.9580 2.2542 2.2592 2.4016 2.4122 8.9807 8.9807 11.7003 11.7190 11.8477 11.8516 11.8740 11.8758 12.6835 12.6887 k = 0.0000 0.0000 0.2122 ( 4138 PWs) bands (ev): -16.8129 -16.8128 -15.9100 -15.9099 -14.9566 -14.9565 -14.7472 -14.7452 -14.7310 -14.7266 -14.7009 -14.6985 -6.4736 -6.4735 -4.7506 -4.7503 -3.0959 -3.0927 -2.9861 -2.9788 -2.9407 -2.9398 -2.3471 -2.3427 -0.4986 -0.4965 -0.1975 -0.1971 -0.1167 -0.1163 0.2342 0.2428 0.7767 0.7768 0.9237 0.9394 1.0068 1.0202 1.0626 1.0637 1.4583 1.4635 1.9704 1.9755 2.2707 2.2754 2.4107 2.4213 9.0491 9.0491 11.7017 11.7194 11.8221 11.8225 11.8303 11.8322 12.7247 12.7300 k = 0.0000 0.0000 0.2274 ( 4144 PWs) bands (ev): -16.7974 -16.7973 -15.9471 -15.9470 -14.9330 -14.9329 -14.7470 -14.7448 -14.7319 -14.7275 -14.6999 -14.6977 -6.5136 -6.5135 -4.6803 -4.6800 -3.1209 -3.1179 -2.9998 -2.9924 -2.9524 -2.9511 -2.3228 -2.3186 -0.4919 -0.4898 -0.1850 -0.1846 -0.1070 -0.1069 0.2543 0.2633 0.7455 0.7455 0.9103 0.9248 1.0037 1.0163 1.0259 1.0283 1.4418 1.4468 1.9885 1.9940 2.2871 2.2915 2.4181 2.4286 9.1211 9.1212 11.6958 11.7085 11.7770 11.7820 11.8100 11.8120 12.7665 12.7719 k = 0.0000 0.0000 0.2425 ( 4144 PWs) bands (ev): -16.7809 -16.7808 -15.9839 -15.9838 -14.9106 -14.9106 -14.7468 -14.7445 -14.7327 -14.7283 -14.6990 -14.6969 -6.5513 -6.5512 -4.6104 -4.6101 -3.1476 -3.1449 -3.0125 -3.0051 -2.9644 -2.9626 -2.2993 -2.2953 -0.4834 -0.4812 -0.1736 -0.1732 -0.0976 -0.0975 0.2745 0.2837 0.7148 0.7149 0.8954 0.9078 0.9902 0.9945 1.0006 1.0124 1.4258 1.4306 2.0075 2.0133 2.3032 2.3073 2.4235 2.4339 9.1967 9.1967 11.6621 11.6662 11.7585 11.7728 11.7904 11.7911 12.8086 12.8140 k = 0.0000 0.0000 0.2577 ( 4162 PWs) bands (ev): -16.7634 -16.7633 -16.0204 -16.0203 -14.8896 -14.8896 -14.7466 -14.7442 -14.7336 -14.7292 -14.6982 -14.6962 -6.5867 -6.5866 -4.5409 -4.5406 -3.1760 -3.1736 -3.0242 -3.0168 -2.9764 -2.9742 -2.2766 -2.2728 -0.4730 -0.4707 -0.1632 -0.1628 -0.0889 -0.0885 0.2946 0.3038 0.6855 0.6858 0.8783 0.8877 0.9562 0.9634 0.9976 1.0086 1.4105 1.4149 2.0272 2.0334 2.3187 2.3226 2.4269 2.4373 9.2755 9.2755 11.6033 11.6044 11.7597 11.7701 11.7756 11.7828 12.8506 12.8559 k = 0.0000 0.0000 0.2728 ( 4162 PWs) bands (ev): -16.7449 -16.7448 -16.0565 -16.0564 -14.8699 -14.8699 -14.7463 -14.7438 -14.7344 -14.7300 -14.6973 -14.6955 -6.6198 -6.6197 -4.4719 -4.4716 -3.2063 -3.2042 -3.0350 -3.0276 -2.9884 -2.9857 -2.2548 -2.2514 -0.4608 -0.4584 -0.1540 -0.1535 -0.0810 -0.0803 0.3141 0.3233 0.6584 0.6590 0.8580 0.8636 0.9250 0.9359 0.9949 1.0049 1.3960 1.4000 2.0476 2.0541 2.3335 2.3372 2.4284 2.4386 9.3572 9.3573 11.5350 11.5351 11.7456 11.7492 11.7859 11.8005 12.8923 12.8973 k = 0.0000 0.0000 0.2880 ( 4162 PWs) bands (ev): -16.7254 -16.7254 -16.0923 -16.0923 -14.8517 -14.8516 -14.7461 -14.7434 -14.7351 -14.7308 -14.6966 -14.6949 -6.6504 -6.6503 -4.4037 -4.4034 -3.2385 -3.2367 -3.0447 -3.0373 -3.0000 -2.9969 -2.2342 -2.2310 -0.4467 -0.4443 -0.1458 -0.1453 -0.0746 -0.0735 0.3328 0.3416 0.6344 0.6355 0.8337 0.8356 0.8976 0.9121 0.9924 1.0015 1.3825 1.3861 2.0686 2.0754 2.3475 2.3510 2.4279 2.4380 9.4417 9.4417 11.4612 11.4614 11.7264 11.7288 11.8073 11.8230 12.9332 12.9378 k = 0.0000 0.0000 0.3032 ( 4174 PWs) bands (ev): -16.7050 -16.7050 -16.1278 -16.1277 -14.8348 -14.8348 -14.7458 -14.7430 -14.7358 -14.7316 -14.6959 -14.6943 -6.6785 -6.6785 -4.3361 -4.3358 -3.2727 -3.2711 -3.0534 -3.0460 -3.0113 -3.0077 -2.2148 -2.2119 -0.4309 -0.4284 -0.1387 -0.1382 -0.0701 -0.0686 0.3501 0.3582 0.6146 0.6166 0.8046 0.8053 0.8742 0.8910 0.9901 0.9983 1.3699 1.3731 2.0900 2.0972 2.3605 2.3639 2.4255 2.4354 9.5286 9.5287 11.3836 11.3839 11.7073 11.7091 11.8337 11.8497 12.9729 12.9745 k = 0.0000 0.0000 0.3183 ( 4174 PWs) bands (ev): -16.6837 -16.6837 -16.1627 -16.1626 -14.8195 -14.8195 -14.7455 -14.7426 -14.7365 -14.7323 -14.6952 -14.6938 -6.7041 -6.7041 -4.2695 -4.2692 -3.3089 -3.3075 -3.0611 -3.0537 -3.0220 -3.0180 -2.1968 -2.1941 -0.4133 -0.4107 -0.1326 -0.1321 -0.0681 -0.0662 0.3657 0.3727 0.6001 0.6033 0.7720 0.7741 0.8535 0.8715 0.9882 0.9954 1.3585 1.3612 2.1118 2.1193 2.3724 2.3757 2.4213 2.4308 9.6178 9.6178 11.3027 11.3031 11.6890 11.6905 11.8641 11.8802 12.9148 12.9263 k = 0.0000 0.0000 0.3335 ( 4162 PWs) bands (ev): -16.6615 -16.6614 -16.1972 -16.1971 -14.8057 -14.8056 -14.7451 -14.7421 -14.7372 -14.7330 -14.6946 -14.6933 -6.7272 -6.7271 -4.2037 -4.2035 -3.3470 -3.3459 -3.0677 -3.0604 -3.0321 -3.0277 -2.1802 -2.1778 -0.3940 -0.3914 -0.1275 -0.1270 -0.0691 -0.0668 0.3796 0.3851 0.5916 0.5964 0.7387 0.7417 0.8342 0.8527 0.9866 0.9929 1.3481 1.3505 2.1339 2.1417 2.3829 2.3865 2.4154 2.4243 9.7089 9.7090 11.2189 11.2193 11.6720 11.6732 11.8983 11.9144 12.8408 12.8524 k = 0.0000 0.0000 0.3486 ( 4186 PWs) bands (ev): -16.6383 -16.6382 -16.2312 -16.2311 -14.7934 -14.7934 -14.7447 -14.7417 -14.7378 -14.7337 -14.6940 -14.6929 -6.7476 -6.7476 -4.1390 -4.1388 -3.3872 -3.3863 -3.0732 -3.0660 -3.0415 -3.0367 -2.1653 -2.1631 -0.3733 -0.3705 -0.1234 -0.1228 -0.0738 -0.0710 0.3918 0.3956 0.5894 0.5961 0.7055 0.7089 0.8155 0.8341 0.9853 0.9907 1.3389 1.3409 2.1560 2.1641 2.3911 2.3961 2.4088 2.4160 9.8017 9.8018 11.1325 11.1329 11.6564 11.6574 11.9361 11.9521 12.7672 12.7791 k = 0.0000 0.0000 0.3638 ( 4186 PWs) bands (ev): -16.6143 -16.6142 -16.2647 -16.2646 -14.7827 -14.7827 -14.7443 -14.7412 -14.7384 -14.7344 -14.6935 -14.6926 -6.7654 -6.7654 -4.0755 -4.0752 -3.4294 -3.4286 -3.0777 -3.0705 -3.0501 -3.0450 -2.1520 -2.1502 -0.3511 -0.3483 -0.1200 -0.1194 -0.0822 -0.0791 0.4034 0.4054 0.5931 0.6018 0.6728 0.6763 0.7970 0.8154 0.9843 0.9889 1.3309 1.3325 2.1782 2.1866 2.3916 2.4046 2.4059 2.4069 9.8960 9.8961 11.0438 11.0441 11.6425 11.6433 11.9775 11.9932 12.6945 12.7068 k = 0.0000 0.0000 0.3789 ( 4180 PWs) bands (ev): -16.5893 -16.5893 -16.2976 -16.2975 -14.7736 -14.7736 -14.7439 -14.7408 -14.7390 -14.7351 -14.6931 -14.6923 -6.7805 -6.7805 -4.0131 -4.0129 -3.4735 -3.4729 -3.0811 -3.0740 -3.0578 -3.0524 -2.1406 -2.1391 -0.3276 -0.3247 -0.1175 -0.1167 -0.0946 -0.0909 0.4152 0.4157 0.6016 0.6123 0.6408 0.6446 0.7783 0.7965 0.9836 0.9873 1.3240 1.3254 2.2003 2.2089 2.3823 2.3941 2.4117 2.4119 9.9915 9.9916 10.9529 10.9533 11.6304 11.6311 12.0222 12.0378 12.6231 12.6357 k = 0.0000 0.0000 0.3941 ( 4180 PWs) bands (ev): -16.5636 -16.5635 -16.3299 -16.3298 -14.7662 -14.7662 -14.7434 -14.7403 -14.7395 -14.7357 -14.6927 -14.6921 -6.7929 -6.7929 -3.9520 -3.9519 -3.5196 -3.5192 -3.0835 -3.0765 -3.0646 -3.0590 -2.1311 -2.1298 -0.3031 -0.3001 -0.1164 -0.1147 -0.1105 -0.1058 0.4276 0.4284 0.6098 0.6100 0.6177 0.6262 0.7595 0.7774 0.9831 0.9861 1.3184 1.3195 2.2221 2.2309 2.3697 2.3807 2.4174 2.4176 10.0879 10.0880 10.8603 10.8606 11.6204 11.6209 12.0702 12.0855 12.5531 12.5661 k = 0.0000 0.0000 0.4093 ( 4192 PWs) bands (ev): -16.5370 -16.5369 -16.3616 -16.3615 -14.7605 -14.7605 -14.7428 -14.7399 -14.7398 -14.7363 -14.6924 -14.6920 -6.8025 -6.8025 -3.8924 -3.8923 -3.5676 -3.5673 -3.0848 -3.0779 -3.0705 -3.0647 -2.1236 -2.1226 -0.2778 -0.2747 -0.1297 -0.1273 -0.1132 -0.1124 0.4420 0.4436 0.5801 0.5832 0.6299 0.6426 0.7406 0.7579 0.9829 0.9851 1.3141 1.3148 2.2434 2.2526 2.3552 2.3658 2.4219 2.4222 10.1850 10.1851 10.7662 10.7665 11.6124 11.6128 12.1213 12.1364 12.4847 12.4980 k = 0.0000 0.0000 0.4244 ( 4192 PWs) bands (ev): -16.5096 -16.5096 -16.3926 -16.3925 -14.7565 -14.7564 -14.7422 -14.7403 -14.7392 -14.7370 -14.6922 -14.6919 -6.8094 -6.8094 -3.8342 -3.8341 -3.6174 -3.6172 -3.0850 -3.0783 -3.0755 -3.0694 -2.1181 -2.1175 -0.2519 -0.2488 -0.1514 -0.1484 -0.1122 -0.1120 0.4590 0.4612 0.5518 0.5551 0.6466 0.6606 0.7215 0.7383 0.9829 0.9843 1.3110 1.3115 2.2643 2.2736 2.3393 2.3496 2.4252 2.4255 10.2824 10.2826 10.6708 10.6711 11.6067 11.6069 12.1754 12.1902 12.4183 12.4319 k = 0.0000 0.0000 0.4396 ( 4186 PWs) bands (ev): -16.4815 -16.4814 -16.4229 -16.4229 -14.7541 -14.7541 -14.7416 -14.7407 -14.7387 -14.7375 -14.6920 -14.6918 -6.8136 -6.8136 -3.7775 -3.7774 -3.6691 -3.6689 -3.0842 -3.0794 -3.0776 -3.0731 -2.1147 -2.1144 -0.2259 -0.2227 -0.1751 -0.1720 -0.1116 -0.1116 0.4787 0.4814 0.5254 0.5285 0.6646 0.6795 0.7023 0.7186 0.9830 0.9837 1.3092 1.3094 2.2844 2.2940 2.3221 2.3322 2.4273 2.4274 10.3800 10.3802 10.5745 10.5747 11.6033 11.6034 12.2323 12.2469 12.3539 12.3679 k = 0.0000 0.0000 0.4547 ( 4198 PWs) bands (ev): -16.4526 -16.4526 -16.4525 -16.4525 -14.7533 -14.7533 -14.7411 -14.7411 -14.7381 -14.7381 -14.6919 -14.6919 -6.8150 -6.8150 -3.7224 -3.7224 -3.7224 -3.7224 -3.0823 -3.0823 -3.0758 -3.0758 -2.1135 -2.1135 -0.2002 -0.2002 -0.1969 -0.1969 -0.1114 -0.1114 0.5009 0.5009 0.5039 0.5039 0.6833 0.6833 0.6989 0.6989 0.9833 0.9833 1.3086 1.3086 2.3037 2.3037 2.3136 2.3136 2.4280 2.4280 10.4775 10.4775 10.4776 10.4776 11.6021 11.6021 12.2919 12.2919 12.3061 12.3061 k = 0.0000 0.0000 0.4547 ( 4198 PWs) bands (ev): -16.4526 -16.4526 -16.4525 -16.4525 -14.7533 -14.7533 -14.7411 -14.7411 -14.7381 -14.7381 -14.6919 -14.6919 -6.8150 -6.8150 -3.7224 -3.7224 -3.7224 -3.7224 -3.0823 -3.0823 -3.0758 -3.0758 -2.1135 -2.1135 -0.2002 -0.2002 -0.1969 -0.1969 -0.1114 -0.1114 0.5009 0.5009 0.5039 0.5039 0.6833 0.6833 0.6989 0.6989 0.9833 0.9833 1.3086 1.3086 2.3037 2.3037 2.3136 2.3136 2.4280 2.4280 10.4775 10.4775 10.4776 10.4776 11.6021 11.6021 12.2919 12.2919 12.3061 12.3061 k = 0.0135 0.0078 0.4547 ( 4186 PWs) bands (ev): -16.4524 -16.4524 -16.4520 -16.4520 -14.7539 -14.7530 -14.7420 -14.7413 -14.7386 -14.7384 -14.6921 -14.6919 -6.8136 -6.8136 -3.7243 -3.7239 -3.7232 -3.7225 -3.0812 -3.0812 -3.0748 -3.0747 -2.1139 -2.1138 -0.2014 -0.2014 -0.1984 -0.1980 -0.1111 -0.1108 0.4984 0.4989 0.5021 0.5022 0.6859 0.6860 0.7015 0.7017 0.9838 0.9845 1.3089 1.3094 2.3027 2.3034 2.3129 2.3129 2.4274 2.4280 10.4788 10.4789 10.4791 10.4793 11.6033 11.6034 12.2916 12.2928 12.3065 12.3066 k = 0.0270 0.0156 0.4547 ( 4182 PWs) bands (ev): -16.4520 -16.4519 -16.4503 -16.4502 -14.7549 -14.7532 -14.7443 -14.7434 -14.7394 -14.7384 -14.6925 -14.6922 -6.8093 -6.8093 -3.7296 -3.7289 -3.7251 -3.7238 -3.0780 -3.0779 -3.0716 -3.0713 -2.1151 -2.1149 -0.2052 -0.2052 -0.2021 -0.2014 -0.1097 -0.1092 0.4917 0.4933 0.4966 0.4975 0.6930 0.6938 0.7089 0.7095 0.9860 0.9874 1.3103 1.3113 2.3003 2.3016 2.3108 2.3111 2.4261 2.4273 10.4826 10.4828 10.4838 10.4842 11.6067 11.6070 12.2921 12.2945 12.3074 12.3079 k = 0.0405 0.0234 0.4547 ( 4180 PWs) bands (ev): -16.4512 -16.4511 -16.4474 -16.4474 -14.7563 -14.7539 -14.7483 -14.7477 -14.7399 -14.7380 -14.6931 -14.6928 -6.8022 -6.8022 -3.7383 -3.7372 -3.7280 -3.7260 -3.0729 -3.0725 -3.0663 -3.0656 -2.1171 -2.1168 -0.2118 -0.2116 -0.2080 -0.2071 -0.1073 -0.1066 0.4820 0.4851 0.4883 0.4905 0.7036 0.7058 0.7201 0.7219 0.9900 0.9921 1.3128 1.3143 2.2962 2.2983 2.3075 2.3083 2.4242 2.4259 10.4890 10.4893 10.4918 10.4923 11.6126 11.6130 12.2932 12.2970 12.3086 12.3104 k = 0.0541 0.0312 0.4547 ( 4176 PWs) bands (ev): -16.4501 -16.4500 -16.4435 -16.4434 -14.7587 -14.7566 -14.7531 -14.7528 -14.7402 -14.7376 -14.6940 -14.6935 -6.7924 -6.7923 -3.7500 -3.7486 -3.7317 -3.7291 -3.0660 -3.0651 -3.0589 -3.0578 -2.1198 -2.1194 -0.2211 -0.2207 -0.2157 -0.2149 -0.1039 -0.1031 0.4703 0.4749 0.4783 0.4820 0.7164 0.7209 0.7340 0.7379 0.9958 0.9985 1.3163 1.3182 2.2903 2.2933 2.3030 2.3048 2.4217 2.4239 10.4979 10.4983 10.5030 10.5036 11.6207 11.6213 12.2945 12.3007 12.3099 12.3141 k = 0.0676 0.0390 0.4547 ( 4170 PWs) bands (ev): -16.4488 -16.4486 -16.4384 -16.4383 -14.7646 -14.7640 -14.7570 -14.7548 -14.7402 -14.7372 -14.6950 -14.6945 -6.7798 -6.7797 -3.7648 -3.7631 -3.7362 -3.7331 -3.0577 -3.0563 -3.0495 -3.0477 -2.1232 -2.1228 -0.2328 -0.2323 -0.2254 -0.2246 -0.0995 -0.0987 0.4573 0.4630 0.4683 0.4730 0.7306 0.7377 0.7503 0.7566 1.0033 1.0067 1.3207 1.3230 2.2826 2.2865 2.2976 2.3003 2.4188 2.4213 10.5093 10.5098 10.5174 10.5182 11.6310 11.6318 12.2959 12.3058 12.3113 12.3195 k = 0.0811 0.0468 0.4547 ( 4170 PWs) bands (ev): -16.4472 -16.4470 -16.4322 -16.4321 -14.7742 -14.7739 -14.7592 -14.7564 -14.7402 -14.7368 -14.6963 -14.6956 -6.7644 -6.7644 -3.7822 -3.7803 -3.7414 -3.7378 -3.0482 -3.0462 -3.0380 -3.0356 -2.1274 -2.1269 -0.2468 -0.2460 -0.2370 -0.2363 -0.0941 -0.0933 0.4436 0.4498 0.4589 0.4642 0.7454 0.7547 0.7688 0.7772 1.0127 1.0166 1.3260 1.3287 2.2733 2.2779 2.2912 2.2949 2.4154 2.4181 10.5232 10.5238 10.5351 10.5360 11.6435 11.6444 12.2971 12.3119 12.3131 12.3265 k = 0.0946 0.0546 0.4547 ( 4170 PWs) bands (ev): -16.4453 -16.4450 -16.4249 -16.4247 -14.7859 -14.7857 -14.7612 -14.7580 -14.7402 -14.7365 -14.6978 -14.6970 -6.7464 -6.7464 -3.8022 -3.8001 -3.7472 -3.7432 -3.0378 -3.0354 -3.0243 -3.0216 -2.1324 -2.1318 -0.2626 -0.2616 -0.2505 -0.2499 -0.0878 -0.0870 0.4295 0.4360 0.4505 0.4561 0.7605 0.7712 0.7893 0.7991 1.0238 1.0282 1.3320 1.3351 2.2626 2.2678 2.2837 2.2883 2.4116 2.4146 10.5394 10.5401 10.5559 10.5569 11.6581 11.6592 12.2979 12.3130 12.3214 12.3353 k = 0.1081 0.0624 0.4547 ( 4170 PWs) bands (ev): -16.4431 -16.4428 -16.4164 -16.4163 -14.7994 -14.7992 -14.7632 -14.7599 -14.7402 -14.7364 -14.6994 -14.6985 -6.7258 -6.7258 -3.8244 -3.8222 -3.7534 -3.7490 -3.0266 -3.0239 -3.0088 -3.0058 -2.1380 -2.1373 -0.2801 -0.2789 -0.2658 -0.2652 -0.0804 -0.0797 0.4151 0.4217 0.4432 0.4490 0.7754 0.7870 0.8113 0.8220 1.0365 1.0413 1.3386 1.3421 2.2505 2.2563 2.2748 2.2803 2.4076 2.4107 10.5579 10.5587 10.5799 10.5811 11.6746 11.6759 12.2982 12.3133 12.3321 12.3462 k = 0.1216 0.0702 0.4547 ( 4174 PWs) bands (ev): -16.4406 -16.4403 -16.4069 -16.4068 -14.8146 -14.8144 -14.7654 -14.7619 -14.7403 -14.7363 -14.7011 -14.7002 -6.7027 -6.7027 -3.8487 -3.8464 -3.7599 -3.7553 -3.0149 -3.0119 -2.9916 -2.9884 -2.1444 -2.1437 -0.2989 -0.2976 -0.2827 -0.2821 -0.0721 -0.0715 0.4007 0.4074 0.4372 0.4430 0.7901 0.8022 0.8342 0.8455 1.0508 1.0559 1.3458 1.3496 2.2373 2.2436 2.2645 2.2708 2.4035 2.4066 10.5787 10.5796 10.6071 10.6083 11.6929 11.6944 12.2979 12.3130 12.3451 12.3593 k = 0.1351 0.0780 0.4547 ( 4172 PWs) bands (ev): -16.4380 -16.4376 -16.3964 -16.3962 -14.8314 -14.8312 -14.7676 -14.7641 -14.7404 -14.7364 -14.7030 -14.7020 -6.6772 -6.6771 -3.8749 -3.8726 -3.7667 -3.7618 -3.0028 -2.9996 -2.9730 -2.9697 -2.1515 -2.1507 -0.3188 -0.3173 -0.3011 -0.3003 -0.0629 -0.0623 0.3863 0.3929 0.4325 0.4383 0.8045 0.8168 0.8575 0.8692 1.0663 1.0716 1.3535 1.3576 2.2230 2.2298 2.2525 2.2597 2.3994 2.4024 10.6016 10.6027 10.6373 10.6387 11.7128 11.7146 12.2970 12.3120 12.3604 12.3747 k = 0.1486 0.0858 0.4547 ( 4164 PWs) bands (ev): -16.4351 -16.4347 -16.3847 -16.3845 -14.8497 -14.8495 -14.7699 -14.7664 -14.7406 -14.7365 -14.7050 -14.7038 -6.6493 -6.6492 -3.9028 -3.9004 -3.7736 -3.7685 -2.9905 -2.9871 -2.9531 -2.9497 -2.1593 -2.1583 -0.3394 -0.3379 -0.3208 -0.3198 -0.0527 -0.0522 0.3720 0.3786 0.4290 0.4349 0.8186 0.8310 0.8810 0.8929 1.0829 1.0884 1.3615 1.3659 2.2078 2.2151 2.2390 2.2470 2.3953 2.3982 10.6267 10.6278 10.6707 10.6722 11.7343 11.7363 12.2955 12.3104 12.3781 12.3926 k = 0.1622 0.0936 0.4547 ( 4160 PWs) bands (ev): -16.4320 -16.4316 -16.3720 -16.3718 -14.8695 -14.8692 -14.7723 -14.7688 -14.7409 -14.7368 -14.7070 -14.7058 -6.6191 -6.6190 -3.9323 -3.9299 -3.7806 -3.7754 -2.9781 -2.9746 -2.9322 -2.9287 -2.1678 -2.1667 -0.3607 -0.3590 -0.3414 -0.3403 -0.0416 -0.0411 0.3578 0.3643 0.4266 0.4325 0.8325 0.8450 0.9043 0.9164 1.1002 1.1059 1.3699 1.3745 2.1918 2.1995 2.2238 2.2326 2.3913 2.3941 10.6537 10.6549 10.7070 10.7086 11.7572 11.7594 12.2933 12.3081 12.3984 12.4130 k = 0.1757 0.1014 0.4547 ( 4160 PWs) bands (ev): -16.4287 -16.4283 -16.3583 -16.3581 -14.8907 -14.8904 -14.7749 -14.7714 -14.7413 -14.7372 -14.7091 -14.7078 -6.5868 -6.5867 -3.9633 -3.9609 -3.7875 -3.7822 -2.9657 -2.9620 -2.9104 -2.9069 -2.1769 -2.1757 -0.3823 -0.3805 -0.3627 -0.3615 -0.0297 -0.0292 0.3439 0.3503 0.4253 0.4311 0.8463 0.8588 0.9272 0.9394 1.1181 1.1238 1.3786 1.3834 2.1751 2.1833 2.2071 2.2166 2.3875 2.3901 10.6827 10.6840 10.7462 10.7479 11.7812 11.7836 12.2905 12.3053 12.4214 12.4361 k = 0.1892 0.1092 0.4547 ( 4168 PWs) bands (ev): -16.4253 -16.4249 -16.3437 -16.3434 -14.9131 -14.9128 -14.7775 -14.7741 -14.7417 -14.7377 -14.7112 -14.7099 -6.5525 -6.5524 -3.9956 -3.9932 -3.7943 -3.7890 -2.9534 -2.9497 -2.8878 -2.8844 -2.1865 -2.1852 -0.4040 -0.4021 -0.3846 -0.3831 -0.0169 -0.0163 0.3303 0.3364 0.4247 0.4306 0.8602 0.8726 0.9494 0.9617 1.1361 1.1419 1.3876 1.3925 2.1578 2.1665 2.1889 2.1991 2.3838 2.3862 10.7134 10.7149 10.7882 10.7900 11.8061 11.8089 12.2873 12.3019 12.4470 12.4617 k = 0.2027 0.1170 0.4547 ( 4176 PWs) bands (ev): -16.4217 -16.4213 -16.3280 -16.3278 -14.9368 -14.9364 -14.7802 -14.7769 -14.7423 -14.7383 -14.7132 -14.7120 -6.5163 -6.5161 -4.0291 -4.0268 -3.8009 -3.7956 -2.9414 -2.9375 -2.8647 -2.8613 -2.1968 -2.1954 -0.4257 -0.4236 -0.4066 -0.4050 -0.0034 -0.0026 0.3169 0.3229 0.4249 0.4307 0.8741 0.8865 0.9708 0.9831 1.1541 1.1601 1.3969 1.4018 2.1398 2.1489 2.1696 2.1804 2.3802 2.3824 10.7460 10.7475 10.8329 10.8348 11.8319 11.8349 12.2837 12.2981 12.4752 12.4900 k = 0.2162 0.1248 0.4547 ( 4184 PWs) bands (ev): -16.4181 -16.4176 -16.3114 -16.3112 -14.9615 -14.9612 -14.7831 -14.7798 -14.7429 -14.7391 -14.7152 -14.7140 -6.4783 -6.4781 -4.0638 -4.0615 -3.8073 -3.8021 -2.9296 -2.9256 -2.8413 -2.8379 -2.2076 -2.2061 -0.4471 -0.4450 -0.4287 -0.4269 0.0109 0.0118 0.3041 0.3098 0.4255 0.4313 0.8882 0.9006 0.9910 1.0035 1.1718 1.1779 1.4065 1.4115 2.1212 2.1305 2.1495 2.1607 2.3767 2.3787 10.7802 10.7818 10.8801 10.8821 11.8582 11.8615 12.2800 12.2941 12.5060 12.5208 k = 0.2297 0.1326 0.4547 ( 4176 PWs) bands (ev): -16.4143 -16.4138 -16.2939 -16.2937 -14.9873 -14.9869 -14.7860 -14.7828 -14.7436 -14.7399 -14.7172 -14.7160 -6.4387 -6.4385 -4.0995 -4.0972 -3.8135 -3.8083 -2.9181 -2.9141 -2.8176 -2.8144 -2.2188 -2.2172 -0.4682 -0.4659 -0.4504 -0.4485 0.0257 0.0269 0.2917 0.2971 0.4265 0.4323 0.9025 0.9150 1.0100 1.0225 1.1891 1.1954 1.4165 1.4214 2.1018 2.1109 2.1294 2.1404 2.3733 2.3752 10.8159 10.8176 10.9298 10.9318 11.8850 11.8885 12.2763 12.2901 12.5392 12.5539 k = 0.2432 0.1404 0.4547 ( 4178 PWs) bands (ev): -16.4105 -16.4100 -16.2756 -16.2753 -15.0140 -15.0136 -14.7890 -14.7859 -14.7443 -14.7409 -14.7190 -14.7179 -6.3976 -6.3974 -4.1361 -4.1339 -3.8194 -3.8143 -2.9069 -2.9029 -2.7939 -2.7907 -2.2304 -2.2287 -0.4888 -0.4864 -0.4717 -0.4697 0.0409 0.0424 0.2800 0.2850 0.4278 0.4334 0.9169 0.9296 1.0276 1.0401 1.2056 1.2123 1.4270 1.4318 2.0816 2.0896 2.1099 2.1200 2.3700 2.3717 10.8531 10.8549 10.9816 10.9838 11.9120 11.9157 12.2729 12.2863 12.5744 12.5891 k = 0.2568 0.1482 0.4547 ( 4166 PWs) bands (ev): -16.4066 -16.4061 -16.2564 -16.2561 -15.0415 -15.0411 -14.7920 -14.7890 -14.7451 -14.7419 -14.7208 -14.7198 -6.3552 -6.3550 -4.1736 -4.1715 -3.8249 -3.8200 -2.8962 -2.8922 -2.7702 -2.7672 -2.2424 -2.2406 -0.5087 -0.5062 -0.4923 -0.4902 0.0564 0.0583 0.2692 0.2738 0.4291 0.4346 0.9314 0.9442 1.0436 1.0562 1.2215 1.2285 1.4380 1.4426 2.0602 2.0664 2.0915 2.0999 2.3667 2.3682 10.8915 10.8934 11.0356 11.0378 11.9389 11.9428 12.2700 12.2829 12.6113 12.6260 k = 0.2703 0.1560 0.4547 ( 4158 PWs) bands (ev): -16.4027 -16.4022 -16.2364 -16.2361 -15.0697 -15.0693 -14.7951 -14.7922 -14.7460 -14.7430 -14.7225 -14.7215 -6.3117 -6.3114 -4.2118 -4.2098 -3.8302 -3.8254 -2.8859 -2.8819 -2.7469 -2.7440 -2.2546 -2.2528 -0.5280 -0.5254 -0.5119 -0.5099 0.0717 0.0740 0.2596 0.2636 0.4305 0.4359 0.9458 0.9588 1.0581 1.0707 1.2365 1.2439 1.4496 1.4538 2.0376 2.0419 2.0740 2.0806 2.3635 2.3649 10.9311 10.9330 11.0914 11.0936 11.9656 11.9696 12.2678 12.2802 12.6493 12.6639 k = 0.2838 0.1638 0.4547 ( 4158 PWs) bands (ev): -16.3989 -16.3984 -16.2157 -16.2154 -15.0985 -15.0981 -14.7982 -14.7955 -14.7469 -14.7441 -14.7240 -14.7232 -6.2672 -6.2669 -4.2507 -4.2487 -3.8350 -3.8305 -2.8760 -2.8720 -2.7239 -2.7212 -2.2670 -2.2651 -0.5465 -0.5438 -0.5306 -0.5285 0.0863 0.0892 0.2517 0.2550 0.4318 0.4370 0.9598 0.9731 1.0710 1.0838 1.2505 1.2585 1.4617 1.4655 2.0137 2.0163 2.0573 2.0624 2.3603 2.3615 10.9716 10.9736 11.1488 11.1511 11.9918 11.9957 12.2668 12.2785 12.6877 12.7020 k = 0.2973 0.1716 0.4547 ( 4150 PWs) bands (ev): -16.3950 -16.3946 -16.1944 -16.1941 -15.1278 -15.1274 -14.8012 -14.7987 -14.7478 -14.7452 -14.7255 -14.7248 -6.2220 -6.2217 -4.2901 -4.2882 -3.8396 -3.8352 -2.8666 -2.8627 -2.7016 -2.6990 -2.2795 -2.2775 -0.5641 -0.5614 -0.5481 -0.5461 0.0996 0.1032 0.2461 0.2487 0.4330 0.4379 0.9730 0.9865 1.0827 1.0956 1.2637 1.2722 1.4742 1.4777 1.9889 1.9901 2.0414 2.0454 2.3571 2.3582 11.0129 11.0149 11.2077 11.2100 12.0172 12.0209 12.2671 12.2780 12.7251 12.7392 k = 0.3108 0.1794 0.4547 ( 4152 PWs) bands (ev): -16.3913 -16.3909 -16.1725 -16.1722 -15.1574 -15.1570 -14.8043 -14.8019 -14.7487 -14.7464 -14.7268 -14.7263 -6.1762 -6.1759 -4.3299 -4.3281 -3.8438 -3.8396 -2.8576 -2.8538 -2.6799 -2.6775 -2.2919 -2.2900 -0.5807 -0.5780 -0.5645 -0.5626 0.1105 0.1148 0.2437 0.2456 0.4340 0.4387 0.9850 0.9985 1.0935 1.1065 1.2761 1.2851 1.4872 1.4902 1.9633 1.9636 2.0261 2.0295 2.3540 2.3549 11.0547 11.0567 11.2677 11.2700 12.0415 12.0449 12.2692 12.2791 12.7603 12.7739 k = 0.3243 0.1872 0.4547 ( 4158 PWs) bands (ev): -16.3877 -16.3873 -16.1501 -16.1498 -15.1872 -15.1868 -14.8073 -14.8051 -14.7495 -14.7475 -14.7281 -14.7277 -6.1302 -6.1299 -4.3699 -4.3682 -3.8476 -3.8437 -2.8491 -2.8454 -2.6591 -2.6569 -2.3043 -2.3023 -0.5962 -0.5936 -0.5796 -0.5778 0.1180 0.1230 0.2453 0.2469 0.4349 0.4392 0.9951 1.0084 1.1041 1.1171 1.2876 1.2971 1.5005 1.5030 1.9369 1.9374 2.0116 2.0146 2.3508 2.3517 11.0968 11.0988 11.3286 11.3310 12.0643 12.0672 12.2733 12.2820 12.7912 12.8041 k = 0.3378 0.1951 0.4547 ( 4156 PWs) bands (ev): -16.3842 -16.3838 -16.1273 -16.1270 -15.2170 -15.2166 -14.8102 -14.8081 -14.7504 -14.7486 -14.7293 -14.7289 -6.0843 -6.0839 -4.4099 -4.4083 -3.8511 -3.8474 -2.8411 -2.8375 -2.6393 -2.6373 -2.3164 -2.3144 -0.6106 -0.6081 -0.5935 -0.5919 0.1217 0.1272 0.2515 0.2531 0.4355 0.4395 1.0027 1.0155 1.1151 1.1280 1.2984 1.3083 1.5138 1.5159 1.9104 1.9113 1.9979 2.0009 2.3478 2.3485 11.1387 11.1407 11.3901 11.3924 12.0852 12.0876 12.2796 12.2869 12.8159 12.8277 k = 0.3514 0.2029 0.4547 ( 4156 PWs) bands (ev): -16.3809 -16.3805 -16.1043 -16.1040 -15.2467 -15.2463 -14.8130 -14.8111 -14.7512 -14.7496 -14.7303 -14.7301 -6.0386 -6.0383 -4.4497 -4.4482 -3.8542 -3.8508 -2.8335 -2.8301 -2.6206 -2.6188 -2.3282 -2.3262 -0.6237 -0.6214 -0.6061 -0.6047 0.1219 0.1274 0.2619 0.2638 0.4360 0.4395 1.0075 1.0193 1.1270 1.1396 1.3084 1.3188 1.5272 1.5288 1.8843 1.8854 1.9852 1.9881 2.3448 2.3454 11.1803 11.1822 11.4518 11.4542 12.1039 12.1059 12.2882 12.2939 12.8324 12.8428 k = 0.3649 0.2107 0.4547 ( 4152 PWs) bands (ev): -16.3777 -16.3773 -16.0812 -16.0809 -15.2761 -15.2757 -14.8157 -14.8139 -14.7520 -14.7506 -14.7313 -14.7312 -5.9937 -5.9933 -4.4890 -4.4876 -3.8570 -3.8539 -2.8265 -2.8232 -2.6031 -2.6015 -2.3394 -2.3375 -0.6356 -0.6334 -0.6176 -0.6163 0.1194 0.1247 0.2757 0.2777 0.4363 0.4393 1.0091 1.0198 1.1400 1.1521 1.3177 1.3284 1.5403 1.5415 1.8587 1.8599 1.9735 1.9764 2.3419 2.3425 11.2209 11.2228 11.5134 11.5157 12.1199 12.1222 12.2988 12.3028 12.8401 12.8490 k = 0.3784 0.2185 0.4547 ( 4150 PWs) bands (ev): -16.3748 -16.3744 -16.0582 -16.0579 -15.3048 -15.3044 -14.8182 -14.8166 -14.7527 -14.7515 -14.7322 -14.7322 -5.9499 -5.9495 -4.5275 -4.5262 -3.8595 -3.8567 -2.8200 -2.8169 -2.5870 -2.5855 -2.3501 -2.3483 -0.6463 -0.6443 -0.6279 -0.6267 0.1153 0.1203 0.2916 0.2937 0.4364 0.4389 1.0079 1.0172 1.1538 1.1655 1.3262 1.3373 1.5531 1.5539 1.8338 1.8350 1.9628 1.9657 2.3391 2.3396 11.2603 11.2620 11.5743 11.5766 12.1337 12.1366 12.3109 12.3134 12.8396 12.8472 k = 0.3919 0.2263 0.4547 ( 4146 PWs) bands (ev): -16.3721 -16.3718 -16.0356 -16.0352 -15.3327 -15.3324 -14.8205 -14.8191 -14.7533 -14.7524 -14.7331 -14.7330 -5.9077 -5.9073 -4.5648 -4.5635 -3.8617 -3.8591 -2.8140 -2.8112 -2.5723 -2.5710 -2.3601 -2.3584 -0.6557 -0.6538 -0.6370 -0.6359 0.1104 0.1149 0.3085 0.3109 0.4363 0.4382 1.0043 1.0123 1.1681 1.1793 1.3341 1.3453 1.5654 1.5659 1.8099 1.8109 1.9533 1.9560 2.3365 2.3369 11.2978 11.2994 11.6341 11.6363 12.1454 12.1492 12.3237 12.3248 12.8329 12.8392 k = 0.4054 0.2341 0.4547 ( 4150 PWs) bands (ev): -16.3696 -16.3693 -16.0136 -16.0133 -15.3595 -15.3591 -14.8226 -14.8213 -14.7539 -14.7531 -14.7338 -14.7338 -5.8677 -5.8673 -4.6002 -4.5991 -3.8635 -3.8613 -2.8086 -2.8060 -2.5592 -2.5580 -2.3693 -2.3677 -0.6638 -0.6621 -0.6449 -0.6440 0.1052 0.1092 0.3257 0.3283 0.4360 0.4374 0.9989 1.0056 1.1823 1.1931 1.3412 1.3524 1.5769 1.5774 1.7871 1.7880 1.9448 1.9473 2.3340 2.3344 11.3329 11.3344 11.6921 11.6942 12.1557 12.1602 12.3357 12.3365 12.8219 12.8274 k = 0.4189 0.2419 0.4547 ( 4152 PWs) bands (ev): -16.3675 -16.3672 -15.9926 -15.9923 -15.3846 -15.3842 -14.8245 -14.8234 -14.7544 -14.7537 -14.7345 -14.7344 -5.8305 -5.8301 -4.6333 -4.6323 -3.8651 -3.8631 -2.8037 -2.8015 -2.5476 -2.5466 -2.3775 -2.3760 -0.6707 -0.6693 -0.6518 -0.6510 0.1002 0.1036 0.3425 0.3453 0.4354 0.4363 0.9923 0.9979 1.1961 1.2063 1.3477 1.3586 1.5878 1.5885 1.7657 1.7663 1.9375 1.9398 2.3319 2.3322 11.3650 11.3663 11.7473 11.7494 12.1649 12.1698 12.3460 12.3474 12.8088 12.8136 k = 0.4324 0.2497 0.4547 ( 4156 PWs) bands (ev): -16.3656 -16.3654 -15.9731 -15.9729 -15.4076 -15.4073 -14.8261 -14.8251 -14.7548 -14.7543 -14.7350 -14.7350 -5.7968 -5.7965 -4.6634 -4.6625 -3.8663 -3.8647 -2.7995 -2.7976 -2.5377 -2.5369 -2.3846 -2.3834 -0.6764 -0.6752 -0.6575 -0.6569 0.0956 0.0985 0.3585 0.3614 0.4343 0.4351 0.9852 0.9898 1.2090 1.2184 1.3535 1.3637 1.5981 1.5989 1.7457 1.7463 1.9313 1.9334 2.3299 2.3302 11.3935 11.3946 11.7988 11.8007 12.1733 12.1783 12.3543 12.3563 12.7953 12.7996 k = 0.4459 0.2575 0.4547 ( 4150 PWs) bands (ev): -16.3640 -16.3639 -15.9558 -15.9555 -15.4279 -15.4276 -14.8274 -14.8266 -14.7552 -14.7548 -14.7355 -14.7354 -5.7676 -5.7673 -4.6897 -4.6889 -3.8673 -3.8660 -2.7960 -2.7944 -2.5295 -2.5289 -2.3906 -2.3895 -0.6810 -0.6800 -0.6621 -0.6616 0.0916 0.0940 0.3730 0.3761 0.4326 0.4338 0.9784 0.9819 1.2206 1.2289 1.3587 1.3678 1.6077 1.6087 1.7276 1.7281 1.9263 1.9280 2.3283 2.3285 11.4178 11.4187 11.8451 11.8468 12.1809 12.1857 12.3600 12.3622 12.7831 12.7867 k = 0.4595 0.2653 0.4547 ( 4146 PWs) bands (ev): -16.3628 -16.3627 -15.9411 -15.9409 -15.4448 -15.4446 -14.8284 -14.8278 -14.7554 -14.7551 -14.7359 -14.7358 -5.7436 -5.7433 -4.7113 -4.7107 -3.8681 -3.8671 -2.7931 -2.7919 -2.5231 -2.5227 -2.3953 -2.3945 -0.6845 -0.6837 -0.6657 -0.6653 0.0885 0.0902 0.3858 0.3890 0.4304 0.4321 0.9724 0.9750 1.2305 1.2372 1.3632 1.3707 1.6166 1.6177 1.7116 1.7121 1.9225 1.9238 2.3270 2.3272 11.4374 11.4381 11.8845 11.8859 12.1876 12.1919 12.3630 12.3651 12.7730 12.7759 k = 0.4730 0.2731 0.4547 ( 4150 PWs) bands (ev): -16.3619 -16.3618 -15.9299 -15.9298 -15.4576 -15.4574 -14.8291 -14.8287 -14.7556 -14.7554 -14.7361 -14.7361 -5.7256 -5.7255 -4.7274 -4.7270 -3.8685 -3.8679 -2.7910 -2.7902 -2.5185 -2.5182 -2.3986 -2.3981 -0.6869 -0.6864 -0.6682 -0.6680 0.0862 0.0874 0.3965 0.3996 0.4277 0.4297 0.9677 0.9695 1.2383 1.2431 1.3669 1.3723 1.6246 1.6255 1.6984 1.6989 1.9199 1.9208 2.3261 2.3262 11.4518 11.4523 11.9150 11.9160 12.1933 12.1965 12.3638 12.3656 12.7658 12.7679 k = 0.4865 0.2809 0.4547 ( 4158 PWs) bands (ev): -16.3614 -16.3613 -15.9229 -15.9228 -15.4656 -15.4655 -14.8295 -14.8293 -14.7557 -14.7556 -14.7363 -14.7362 -5.7145 -5.7144 -4.7374 -4.7372 -3.8687 -3.8684 -2.7897 -2.7892 -2.5157 -2.5156 -2.4006 -2.4004 -0.6883 -0.6880 -0.6697 -0.6696 0.0850 0.0856 0.4046 0.4069 0.4251 0.4269 0.9649 0.9658 1.2436 1.2461 1.3699 1.3727 1.6308 1.6314 1.6891 1.6894 1.9184 1.9188 2.3255 2.3256 11.4606 11.4609 11.9345 11.9351 12.1974 12.1992 12.3638 12.3647 12.7617 12.7628 k = 0.5000 0.2887 0.4547 ( 4148 PWs) bands (ev): -16.3612 -16.3612 -15.9204 -15.9204 -15.4683 -15.4683 -14.8295 -14.8295 -14.7557 -14.7557 -14.7363 -14.7363 -5.7107 -5.7107 -4.7407 -4.7407 -3.8687 -3.8687 -2.7891 -2.7891 -2.5147 -2.5147 -2.4012 -2.4012 -0.6886 -0.6886 -0.6702 -0.6702 0.0847 0.0847 0.4090 0.4090 0.4245 0.4245 0.9642 0.9642 1.2463 1.2463 1.3718 1.3718 1.6335 1.6335 1.6857 1.6857 1.9180 1.9180 2.3253 2.3253 11.4637 11.4637 11.9414 11.9414 12.1995 12.1995 12.3639 12.3639 12.7607 12.7607 k = 0.5000 0.2887 0.4547 ( 4148 PWs) bands (ev): -16.3612 -16.3612 -15.9204 -15.9204 -15.4683 -15.4683 -14.8295 -14.8295 -14.7557 -14.7557 -14.7363 -14.7363 -5.7107 -5.7107 -4.7407 -4.7407 -3.8687 -3.8687 -2.7891 -2.7891 -2.5147 -2.5147 -2.4012 -2.4012 -0.6886 -0.6886 -0.6702 -0.6702 0.0847 0.0847 0.4090 0.4090 0.4245 0.4245 0.9642 0.9642 1.2463 1.2463 1.3718 1.3718 1.6335 1.6335 1.6857 1.6857 1.9180 1.9180 2.3253 2.3253 11.4637 11.4637 11.9414 11.9414 12.1995 12.1995 12.3639 12.3639 12.7607 12.7607 k = 0.4924 0.3018 0.4547 ( 4152 PWs) bands (ev): -16.3611 -16.3610 -15.9201 -15.9200 -15.4688 -15.4687 -14.8296 -14.8295 -14.7558 -14.7557 -14.7365 -14.7364 -5.7095 -5.7094 -4.7415 -4.7412 -3.8699 -3.8696 -2.7883 -2.7882 -2.5150 -2.5149 -2.4015 -2.4014 -0.6925 -0.6901 -0.6680 -0.6655 0.0833 0.0835 0.4091 0.4093 0.4251 0.4256 0.9617 0.9623 1.2482 1.2489 1.3724 1.3729 1.6338 1.6341 1.6854 1.6857 1.9178 1.9179 2.3239 2.3243 11.4636 11.4642 11.9426 11.9434 12.2003 12.2004 12.3642 12.3643 12.7598 12.7602 k = 0.4848 0.3149 0.4547 ( 4156 PWs) bands (ev): -16.3607 -16.3606 -15.9189 -15.9187 -15.4702 -15.4700 -14.8296 -14.8294 -14.7560 -14.7558 -14.7371 -14.7370 -5.7057 -5.7054 -4.7436 -4.7430 -3.8730 -3.8724 -2.7860 -2.7859 -2.5158 -2.5156 -2.4022 -2.4019 -0.6983 -0.6952 -0.6609 -0.6576 0.0793 0.0797 0.4098 0.4101 0.4273 0.4281 0.9549 0.9561 1.2543 1.2557 1.3745 1.3755 1.6348 1.6355 1.6847 1.6853 1.9171 1.9173 2.3199 2.3208 11.4641 11.4652 11.9469 11.9485 12.2027 12.2028 12.3650 12.3653 12.7576 12.7583 k = 0.4773 0.3280 0.4547 ( 4152 PWs) bands (ev): -16.3600 -16.3599 -15.9168 -15.9165 -15.4726 -15.4722 -14.8296 -14.8294 -14.7563 -14.7560 -14.7381 -14.7378 -5.6993 -5.6989 -4.7471 -4.7462 -3.8780 -3.8772 -2.7822 -2.7820 -2.5170 -2.5168 -2.4032 -2.4029 -0.7041 -0.7009 -0.6516 -0.6482 0.0728 0.0733 0.4110 0.4113 0.4311 0.4322 0.9444 0.9460 1.2642 1.2662 1.3781 1.3796 1.6367 1.6377 1.6837 1.6845 1.9160 1.9163 2.3135 2.3148 11.4650 11.4667 11.9544 11.9566 12.2067 12.2069 12.3665 12.3670 12.7541 12.7551 k = 0.4697 0.3412 0.4547 ( 4148 PWs) bands (ev): -16.3591 -16.3590 -15.9139 -15.9135 -15.4758 -15.4754 -14.8297 -14.8293 -14.7568 -14.7563 -14.7394 -14.7391 -5.6904 -5.6898 -4.7520 -4.7508 -3.8848 -3.8837 -2.7770 -2.7767 -2.5187 -2.5184 -2.4047 -2.4043 -0.7097 -0.7066 -0.6410 -0.6376 0.0640 0.0646 0.4126 0.4131 0.4361 0.4375 0.9310 0.9330 1.2772 1.2796 1.3831 1.3852 1.6394 1.6407 1.6823 1.6834 1.9145 1.9150 2.3046 2.3063 11.4665 11.4687 11.9648 11.9678 12.2122 12.2126 12.3687 12.3693 12.7493 12.7507 k = 0.4621 0.3543 0.4547 ( 4148 PWs) bands (ev): -16.3580 -16.3578 -15.9102 -15.9097 -15.4801 -15.4795 -14.8297 -14.8292 -14.7573 -14.7566 -14.7410 -14.7406 -5.6789 -5.6782 -4.7584 -4.7569 -3.8931 -3.8918 -2.7705 -2.7701 -2.5209 -2.5205 -2.4065 -2.4060 -0.7149 -0.7119 -0.6294 -0.6261 0.0531 0.0537 0.4148 0.4154 0.4423 0.4440 0.9152 0.9175 1.2924 1.2952 1.3896 1.3921 1.6429 1.6445 1.6805 1.6818 1.9126 1.9132 2.2934 2.2956 11.4685 11.4711 11.9782 11.9817 12.2193 12.2198 12.3714 12.3722 12.7434 12.7450 k = 0.4545 0.3674 0.4547 ( 4152 PWs) bands (ev): -16.3566 -16.3564 -15.9056 -15.9050 -15.4852 -15.4846 -14.8297 -14.8292 -14.7579 -14.7571 -14.7429 -14.7424 -5.6650 -5.6641 -4.7663 -4.7645 -3.9027 -3.9012 -2.7629 -2.7624 -2.5234 -2.5230 -2.4087 -2.4081 -0.7198 -0.7169 -0.6167 -0.6136 0.0403 0.0409 0.4176 0.4183 0.4495 0.4513 0.8978 0.9004 1.3093 1.3125 1.3973 1.4003 1.6473 1.6491 1.6783 1.6799 1.9103 1.9111 2.2800 2.2826 11.4711 11.4741 11.9942 11.9984 12.2278 12.2284 12.3747 12.3758 12.7365 12.7384 k = 0.4470 0.3805 0.4547 ( 4148 PWs) bands (ev): -16.3551 -16.3548 -15.9001 -15.8994 -15.4913 -15.4906 -14.8297 -14.8292 -14.7585 -14.7577 -14.7450 -14.7444 -5.6486 -5.6476 -4.7759 -4.7738 -3.9133 -3.9116 -2.7542 -2.7537 -2.5264 -2.5259 -2.4112 -2.4105 -0.7243 -0.7216 -0.6030 -0.6001 0.0257 0.0263 0.4210 0.4217 0.4575 0.4594 0.8792 0.8819 1.3274 1.3308 1.4063 1.4097 1.6524 1.6545 1.6757 1.6776 1.9077 1.9087 2.2644 2.2674 11.4744 11.4777 12.0127 12.0174 12.2377 12.2384 12.3787 12.3801 12.7287 12.7308 k = 0.4394 0.3936 0.4547 ( 4148 PWs) bands (ev): -16.3534 -16.3531 -15.8937 -15.8929 -15.4984 -15.4976 -14.8298 -14.8291 -14.7593 -14.7583 -14.7472 -14.7465 -5.6299 -5.6288 -4.7872 -4.7849 -3.9247 -3.9229 -2.7447 -2.7441 -2.5298 -2.5292 -2.4140 -2.4132 -0.7284 -0.7260 -0.5883 -0.5856 0.0096 0.0102 0.4250 0.4258 0.4660 0.4680 0.8597 0.8625 1.3462 1.3499 1.4163 1.4202 1.6583 1.6606 1.6726 1.6749 1.9049 1.9060 2.2469 2.2503 11.4783 11.4818 12.0333 12.0386 12.2488 12.2497 12.3835 12.3851 12.7202 12.7225 k = 0.4318 0.4068 0.4547 ( 4144 PWs) bands (ev): -16.3516 -16.3513 -15.8863 -15.8854 -15.5065 -15.5056 -14.8298 -14.8292 -14.7601 -14.7590 -14.7496 -14.7488 -5.6089 -5.6076 -4.8004 -4.7980 -3.9365 -3.9346 -2.7344 -2.7339 -2.5335 -2.5329 -2.4170 -2.4161 -0.7323 -0.7301 -0.5727 -0.5703 -0.0078 -0.0074 0.4297 0.4306 0.4748 0.4769 0.8395 0.8425 1.3656 1.3695 1.4273 1.4315 1.6650 1.6675 1.6693 1.6718 1.9018 1.9031 2.2274 2.2313 11.4829 11.4866 12.0558 12.0616 12.2611 12.2621 12.3891 12.3910 12.7111 12.7137 k = 0.4242 0.4199 0.4547 ( 4148 PWs) bands (ev): -16.3497 -16.3494 -15.8780 -15.8771 -15.5156 -15.5146 -14.8299 -14.8292 -14.7610 -14.7597 -14.7519 -14.7511 -5.5856 -5.5843 -4.8156 -4.8130 -3.9485 -3.9465 -2.7237 -2.7231 -2.5375 -2.5369 -2.4201 -2.4193 -0.7359 -0.7340 -0.5561 -0.5539 -0.0265 -0.0261 0.4351 0.4362 0.4839 0.4860 0.8190 0.8221 1.3851 1.3891 1.4390 1.4436 1.6653 1.6680 1.6727 1.6752 1.8986 1.9001 2.2064 2.2106 11.4882 11.4920 12.0797 12.0859 12.2743 12.2754 12.3957 12.3980 12.7017 12.7044 k = 0.4167 0.4330 0.4547 ( 4152 PWs) bands (ev): -16.3478 -16.3475 -15.8688 -15.8678 -15.5257 -15.5246 -14.8301 -14.8294 -14.7619 -14.7605 -14.7543 -14.7533 -5.5603 -5.5588 -4.8329 -4.8302 -3.9603 -3.9583 -2.7126 -2.7120 -2.5418 -2.5412 -2.4234 -2.4225 -0.7393 -0.7376 -0.5386 -0.5367 -0.0462 -0.0460 0.4413 0.4425 0.4931 0.4952 0.7982 0.8014 1.4046 1.4088 1.4513 1.4563 1.6609 1.6640 1.6808 1.6834 1.8952 1.8971 2.1838 2.1884 11.4941 11.4979 12.1045 12.1110 12.2881 12.2894 12.4036 12.4064 12.6922 12.6951 k = 0.4091 0.4461 0.4547 ( 4148 PWs) bands (ev): -16.3458 -16.3455 -15.8586 -15.8575 -15.5367 -15.5356 -14.8303 -14.8295 -14.7628 -14.7613 -14.7565 -14.7555 -5.5329 -5.5313 -4.8524 -4.8495 -3.9718 -3.9698 -2.7013 -2.7006 -2.5464 -2.5457 -2.4268 -2.4259 -0.7424 -0.7409 -0.5201 -0.5186 -0.0669 -0.0668 0.4483 0.4496 0.5023 0.5043 0.7773 0.7806 1.4239 1.4282 1.4641 1.4694 1.6561 1.6595 1.6895 1.6922 1.8920 1.8941 2.1600 2.1650 11.5006 11.5044 12.1296 12.1365 12.3023 12.3038 12.4132 12.4165 12.6829 12.6859 k = 0.4015 0.4593 0.4547 ( 4154 PWs) bands (ev): -16.3439 -16.3436 -15.8474 -15.8462 -15.5489 -15.5477 -14.8305 -14.8298 -14.7638 -14.7622 -14.7586 -14.7575 -5.5036 -5.5019 -4.8742 -4.8712 -3.9826 -3.9807 -2.6899 -2.6892 -2.5512 -2.5506 -2.4302 -2.4293 -0.7453 -0.7440 -0.5009 -0.4997 -0.0885 -0.0884 0.4561 0.4576 0.5112 0.5133 0.7563 0.7597 1.4427 1.4471 1.4772 1.4827 1.6508 1.6545 1.6988 1.7014 1.8891 1.8915 2.1352 2.1405 11.5077 11.5113 12.1544 12.1615 12.3164 12.3182 12.4249 12.4286 12.6742 12.6773 k = 0.3939 0.4724 0.4547 ( 4150 PWs) bands (ev): -16.3421 -16.3418 -15.8351 -15.8340 -15.5620 -15.5607 -14.8308 -14.8301 -14.7647 -14.7631 -14.7605 -14.7593 -5.4724 -5.4706 -4.8982 -4.8953 -3.9926 -3.9907 -2.6785 -2.6779 -2.5562 -2.5556 -2.4335 -2.4326 -0.7479 -0.7469 -0.4809 -0.4800 -0.1109 -0.1106 0.4649 0.4665 0.5200 0.5220 0.7353 0.7388 1.4610 1.4655 1.4905 1.4961 1.6450 1.6491 1.7083 1.7108 1.8865 1.8893 2.1096 2.1152 11.5151 11.5185 12.1785 12.1856 12.3299 12.3319 12.4390 12.4431 12.6664 12.6697 k = 0.3864 0.4855 0.4547 ( 4150 PWs) bands (ev): -16.3404 -16.3401 -15.8219 -15.8207 -15.5761 -15.5748 -14.8311 -14.8304 -14.7657 -14.7640 -14.7622 -14.7608 -5.4396 -5.4377 -4.9247 -4.9217 -4.0015 -3.9998 -2.6674 -2.6667 -2.5614 -2.5609 -2.4367 -2.4359 -0.7504 -0.7495 -0.4601 -0.4596 -0.1339 -0.1334 0.4745 0.4764 0.5284 0.5303 0.7144 0.7179 1.4786 1.4830 1.5038 1.5095 1.6387 1.6432 1.7179 1.7201 1.8848 1.8880 2.0836 2.0895 11.5228 11.5260 12.2012 12.2083 12.3421 12.3443 12.4560 12.4604 12.6603 12.6636 k = 0.3788 0.4986 0.4547 ( 4154 PWs) bands (ev): -16.3388 -16.3386 -15.8076 -15.8064 -15.5912 -15.5899 -14.8314 -14.8308 -14.7667 -14.7649 -14.7636 -14.7621 -5.4051 -5.4031 -4.9534 -4.9505 -4.0093 -4.0078 -2.6565 -2.6559 -2.5668 -2.5663 -2.4397 -2.4389 -0.7526 -0.7519 -0.4387 -0.4385 -0.1574 -0.1567 0.4852 0.4872 0.5363 0.5382 0.6935 0.6970 1.4951 1.4993 1.5169 1.5227 1.6320 1.6368 1.7270 1.7289 1.8842 1.8879 2.0575 2.0637 11.5306 11.5334 12.2223 12.2291 12.3522 12.3545 12.4759 12.4806 12.6563 12.6596 k = 0.3712 0.5117 0.4547 ( 4146 PWs) bands (ev): -16.3374 -16.3372 -15.7923 -15.7911 -15.6072 -15.6060 -14.8318 -14.8312 -14.7676 -14.7657 -14.7647 -14.7631 -5.3691 -5.3670 -4.9845 -4.9816 -4.0160 -4.0146 -2.6460 -2.6454 -2.5723 -2.5720 -2.4425 -2.4418 -0.7545 -0.7539 -0.4168 -0.4168 -0.1813 -0.1803 0.4968 0.4989 0.5438 0.5456 0.6727 0.6762 1.5105 1.5144 1.5297 1.5356 1.6249 1.6301 1.7354 1.7369 1.8853 1.8895 2.0318 2.0381 11.5381 11.5405 12.2418 12.2483 12.3592 12.3617 12.4986 12.5035 12.6550 12.6583 k = 0.3636 0.5249 0.4547 ( 4150 PWs) bands (ev): -16.3362 -16.3360 -15.7760 -15.7748 -15.6242 -15.6230 -14.8321 -14.8316 -14.7684 -14.7664 -14.7656 -14.7639 -5.3318 -5.3296 -5.0177 -5.0149 -4.0213 -4.0202 -2.6361 -2.6355 -2.5780 -2.5778 -2.4449 -2.4443 -0.7561 -0.7557 -0.3947 -0.3943 -0.2054 -0.2042 0.5093 0.5117 0.5507 0.5523 0.6519 0.6555 1.5243 1.5277 1.5420 1.5480 1.6173 1.6229 1.7424 1.7435 1.8884 1.8931 2.0069 2.0132 11.5450 11.5471 12.2600 12.2659 12.3623 12.3650 12.5239 12.5289 12.6566 12.6599 k = 0.3561 0.5380 0.4547 ( 4152 PWs) bands (ev): -16.3352 -16.3351 -15.7587 -15.7575 -15.6421 -15.6409 -14.8324 -14.8320 -14.7690 -14.7670 -14.7663 -14.7645 -5.2932 -5.2909 -5.0531 -5.0504 -4.0254 -4.0245 -2.6267 -2.6262 -2.5839 -2.5838 -2.4469 -2.4464 -0.7575 -0.7572 -0.3721 -0.3715 -0.2296 -0.2282 0.5229 0.5254 0.5569 0.5585 0.6313 0.6349 1.5364 1.5389 1.5535 1.5598 1.6093 1.6152 1.7478 1.7484 1.8941 1.8991 1.9833 1.9895 11.5512 11.5527 12.2773 12.2824 12.3610 12.3637 12.5512 12.5562 12.6606 12.6638 k = 0.3485 0.5511 0.4547 ( 4162 PWs) bands (ev): -16.3345 -16.3344 -15.7404 -15.7391 -15.6609 -15.6596 -14.8326 -14.8323 -14.7695 -14.7673 -14.7669 -14.7649 -5.2534 -5.2511 -5.0906 -5.0880 -4.0282 -4.0276 -2.6180 -2.6176 -2.5900 -2.5898 -2.4483 -2.4480 -0.7584 -0.7583 -0.3493 -0.3485 -0.2537 -0.2521 0.5374 0.5401 0.5624 0.5639 0.6107 0.6143 1.5461 1.5476 1.5641 1.5708 1.6011 1.6073 1.7513 1.7517 1.9023 1.9077 1.9617 1.9677 11.5560 11.5571 12.2942 12.2986 12.3549 12.3577 12.5797 12.5848 12.6644 12.6677 k = 0.3409 0.5642 0.4547 ( 4158 PWs) bands (ev): -16.3341 -16.3340 -15.7211 -15.7198 -15.6805 -15.6792 -14.8327 -14.8326 -14.7697 -14.7675 -14.7673 -14.7652 -5.2127 -5.2104 -5.1299 -5.1275 -4.0298 -4.0295 -2.6102 -2.6098 -2.5963 -2.5959 -2.4492 -2.4491 -0.7590 -0.7590 -0.3264 -0.3256 -0.2775 -0.2755 0.5529 0.5557 0.5673 0.5687 0.5902 0.5937 1.5526 1.5531 1.5734 1.5809 1.5933 1.5990 1.7531 1.7533 1.9130 1.9187 1.9430 1.9483 11.5593 11.5599 12.3112 12.3147 12.3441 12.3471 12.6087 12.6142 12.6614 12.6646 k = 0.3333 0.5774 0.4547 ( 4158 PWs) bands (ev): -16.3339 -16.3339 -15.7022 -15.6997 -15.6995 -15.6995 -14.8327 -14.8327 -14.7698 -14.7674 -14.7674 -14.7653 -5.1734 -5.1687 -5.1687 -5.1687 -4.0302 -4.0302 -2.6043 -2.6043 -2.6017 -2.6008 -2.4495 -2.4495 -0.7592 -0.7592 -0.3085 -0.3085 -0.2958 -0.2926 0.5670 0.5708 0.5708 0.5721 0.5738 0.5738 1.5550 1.5550 1.5787 1.5887 1.5887 1.5914 1.7537 1.7537 1.9226 1.9309 1.9309 1.9329 11.5607 11.5607 12.3283 12.3290 12.3290 12.3343 12.6318 12.6409 12.6477 12.6477 k = 0.3333 0.5774 0.4547 ( 4158 PWs) bands (ev): -16.3339 -16.3339 -15.7022 -15.6997 -15.6995 -15.6995 -14.8327 -14.8327 -14.7698 -14.7674 -14.7674 -14.7653 -5.1734 -5.1687 -5.1687 -5.1687 -4.0302 -4.0302 -2.6043 -2.6043 -2.6017 -2.6008 -2.4495 -2.4495 -0.7592 -0.7592 -0.3085 -0.3085 -0.2958 -0.2926 0.5670 0.5708 0.5708 0.5721 0.5738 0.5738 1.5550 1.5550 1.5787 1.5887 1.5887 1.5914 1.7537 1.7537 1.9226 1.9309 1.9309 1.9329 11.5607 11.5607 12.3283 12.3290 12.3290 12.3343 12.6318 12.6409 12.6477 12.6477 k = 0.3256 0.5639 0.4547 ( 4158 PWs) bands (ev): -16.3341 -16.3340 -15.7224 -15.7212 -15.6791 -15.6779 -14.8327 -14.8326 -14.7697 -14.7674 -14.7673 -14.7652 -5.2149 -5.2126 -5.1277 -5.1253 -4.0298 -4.0295 -2.6101 -2.6095 -2.5966 -2.5961 -2.4492 -2.4490 -0.7590 -0.7589 -0.3270 -0.3257 -0.2772 -0.2750 0.5482 0.5519 0.5745 0.5751 0.5882 0.5904 1.5523 1.5529 1.5743 1.5803 1.5935 1.5983 1.7534 1.7534 1.9140 1.9190 1.9430 1.9473 11.5592 11.5597 12.3084 12.3114 12.3474 12.3499 12.6011 12.6065 12.6711 12.6750 k = 0.3178 0.5505 0.4547 ( 4166 PWs) bands (ev): -16.3346 -16.3345 -15.7446 -15.7434 -15.6565 -15.6553 -14.8325 -14.8322 -14.7695 -14.7672 -14.7670 -14.7649 -5.2602 -5.2580 -5.0837 -5.0813 -4.0283 -4.0277 -2.6173 -2.6164 -2.5914 -2.5911 -2.4481 -2.4477 -0.7583 -0.7581 -0.3501 -0.3484 -0.2534 -0.2512 0.5272 0.5307 0.5769 0.5775 0.6068 0.6093 1.5443 1.5467 1.5673 1.5700 1.5997 1.6047 1.7529 1.7531 1.9067 1.9103 1.9597 1.9641 11.5550 11.5561 12.2835 12.2870 12.3670 12.3688 12.5557 12.5609 12.7008 12.7053 k = 0.3101 0.5371 0.4547 ( 4174 PWs) bands (ev): -16.3354 -16.3353 -15.7675 -15.7663 -15.6330 -15.6318 -14.8322 -14.8318 -14.7691 -14.7668 -14.7665 -14.7644 -5.3068 -5.3049 -5.0392 -5.0368 -4.0258 -4.0249 -2.6247 -2.6236 -2.5873 -2.5871 -2.4462 -2.4456 -0.7569 -0.7567 -0.3726 -0.3708 -0.2294 -0.2271 0.5060 0.5094 0.5784 0.5789 0.6264 0.6289 1.5324 1.5362 1.5589 1.5592 1.6046 1.6093 1.7529 1.7532 1.9035 1.9060 1.9777 1.9819 11.5480 11.5495 12.2538 12.2577 12.3873 12.3886 12.5077 12.5131 12.7305 12.7352 k = 0.3023 0.5236 0.4547 ( 4170 PWs) bands (ev): -16.3365 -16.3363 -15.7908 -15.7897 -15.6086 -15.6075 -14.8317 -14.8311 -14.7686 -14.7663 -14.7660 -14.7637 -5.3547 -5.3529 -4.9942 -4.9918 -4.0224 -4.0211 -2.6324 -2.6310 -2.5845 -2.5842 -2.4434 -2.4426 -0.7550 -0.7547 -0.3944 -0.3924 -0.2055 -0.2031 0.4847 0.4880 0.5791 0.5794 0.6469 0.6493 1.5173 1.5217 1.5476 1.5497 1.6075 1.6117 1.7540 1.7544 1.9044 1.9058 1.9965 2.0005 11.5380 11.5399 12.2189 12.2231 12.4081 12.4090 12.4603 12.4660 12.7600 12.7650 k = 0.2946 0.5102 0.4547 ( 4168 PWs) bands (ev): -16.3380 -16.3377 -15.8146 -15.8136 -15.5834 -15.5823 -14.8309 -14.8302 -14.7679 -14.7655 -14.7653 -14.7628 -5.4037 -5.4020 -4.9490 -4.9466 -4.0181 -4.0166 -2.6404 -2.6388 -2.5828 -2.5827 -2.4397 -2.4387 -0.7523 -0.7521 -0.4151 -0.4130 -0.1816 -0.1792 0.4633 0.4665 0.5790 0.5791 0.6680 0.6704 1.4995 1.5034 1.5364 1.5389 1.6082 1.6119 1.7566 1.7571 1.9087 1.9092 2.0159 2.0196 11.5249 11.5273 12.1784 12.1829 12.4147 12.4192 12.4301 12.4308 12.7895 12.7947 k = 0.2868 0.4968 0.4547 ( 4164 PWs) bands (ev): -16.3397 -16.3394 -15.8389 -15.8378 -15.5574 -15.5564 -14.8300 -14.8291 -14.7671 -14.7646 -14.7645 -14.7618 -5.4535 -5.4520 -4.9037 -4.9013 -4.0131 -4.0112 -2.6487 -2.6468 -2.5825 -2.5824 -2.4350 -2.4338 -0.7489 -0.7486 -0.4345 -0.4324 -0.1580 -0.1555 0.4417 0.4448 0.5780 0.5781 0.6897 0.6919 1.4793 1.4821 1.5251 1.5275 1.6067 1.6097 1.7608 1.7615 1.9155 1.9159 2.0355 2.0389 11.5088 11.5115 12.1323 12.1369 12.3735 12.3790 12.4496 12.4496 12.8192 12.8247 k = 0.2791 0.4834 0.4547 ( 4164 PWs) bands (ev): -16.3417 -16.3414 -15.8634 -15.8624 -15.5308 -15.5297 -14.8289 -14.8279 -14.7661 -14.7637 -14.7635 -14.7607 -5.5042 -5.5027 -4.8582 -4.8559 -4.0074 -4.0052 -2.6572 -2.6551 -2.5836 -2.5836 -2.4295 -2.4281 -0.7448 -0.7444 -0.4526 -0.4504 -0.1346 -0.1321 0.4200 0.4229 0.5761 0.5764 0.7118 0.7137 1.4569 1.4587 1.5136 1.5156 1.6030 1.6054 1.7668 1.7676 1.9243 1.9253 2.0552 2.0584 11.4897 11.4926 12.0808 12.0854 12.3358 12.3412 12.4681 12.4681 12.8498 12.8555 k = 0.2713 0.4699 0.4547 ( 4162 PWs) bands (ev): -16.3441 -16.3437 -15.8881 -15.8872 -15.5034 -15.5024 -14.8276 -14.8264 -14.7650 -14.7626 -14.7623 -14.7595 -5.5555 -5.5541 -4.8128 -4.8105 -4.0010 -3.9986 -2.6661 -2.6637 -2.5861 -2.5861 -2.4230 -2.4214 -0.7398 -0.7394 -0.4691 -0.4669 -0.1115 -0.1090 0.3981 0.4009 0.5735 0.5739 0.7341 0.7358 1.4329 1.4336 1.5020 1.5035 1.5975 1.5992 1.7744 1.7753 1.9349 1.9364 2.0749 2.0777 11.4677 11.4708 12.0247 12.0291 12.3016 12.3067 12.4845 12.4845 12.8815 12.8874 k = 0.2636 0.4565 0.4547 ( 4158 PWs) bands (ev): -16.3466 -16.3462 -15.9130 -15.9121 -15.4755 -15.4746 -14.8261 -14.8248 -14.7637 -14.7614 -14.7610 -14.7583 -5.6072 -5.6060 -4.7676 -4.7653 -3.9941 -3.9914 -2.6752 -2.6726 -2.5902 -2.5900 -2.4156 -2.4139 -0.7339 -0.7335 -0.4840 -0.4817 -0.0888 -0.0863 0.3761 0.3788 0.5703 0.5709 0.7565 0.7578 1.4074 1.4077 1.4900 1.4910 1.5904 1.5915 1.7834 1.7844 1.9469 1.9489 2.0943 2.0969 11.4431 11.4463 11.9651 11.9692 12.2704 12.2751 12.4980 12.4981 12.9148 12.9209 k = 0.2558 0.4431 0.4547 ( 4158 PWs) bands (ev): -16.3495 -16.3491 -15.9381 -15.9372 -15.4471 -15.4462 -14.8244 -14.8230 -14.7622 -14.7602 -14.7595 -14.7570 -5.6593 -5.6582 -4.7226 -4.7204 -3.9867 -3.9837 -2.6847 -2.6818 -2.5957 -2.5955 -2.4073 -2.4055 -0.7271 -0.7267 -0.4970 -0.4948 -0.0663 -0.0639 0.3539 0.3565 0.5664 0.5672 0.7786 0.7795 1.3806 1.3816 1.4777 1.4783 1.5820 1.5826 1.7937 1.7947 1.9600 1.9623 2.1134 2.1159 11.4158 11.4192 11.9027 11.9066 12.2415 12.2458 12.5083 12.5084 12.9494 12.9562 k = 0.2481 0.4297 0.4547 ( 4152 PWs) bands (ev): -16.3526 -16.3521 -15.9631 -15.9623 -15.4182 -15.4174 -14.8226 -14.8210 -14.7606 -14.7588 -14.7578 -14.7556 -5.7117 -5.7107 -4.6779 -4.6758 -3.9788 -3.9756 -2.6944 -2.6914 -2.6028 -2.6024 -2.3983 -2.3963 -0.7194 -0.7189 -0.5081 -0.5059 -0.0443 -0.0420 0.3317 0.3341 0.5620 0.5630 0.8004 0.8008 1.3533 1.3550 1.4650 1.4652 1.5727 1.5728 1.8052 1.8062 1.9740 1.9764 2.1322 2.1344 11.3863 11.3896 11.8384 11.8421 12.2146 12.2185 12.5151 12.5151 12.9534 12.9552 k = 0.2403 0.4162 0.4547 ( 4148 PWs) bands (ev): -16.3559 -16.3554 -15.9880 -15.9873 -15.3890 -15.3881 -14.8206 -14.8188 -14.7590 -14.7574 -14.7560 -14.7542 -5.7641 -5.7632 -4.6336 -4.6316 -3.9706 -3.9671 -2.7045 -2.7012 -2.6113 -2.6108 -2.3885 -2.3864 -0.7106 -0.7101 -0.5172 -0.5150 -0.0225 -0.0203 0.3095 0.3117 0.5572 0.5582 0.8214 0.8215 1.3258 1.3280 1.4517 1.4519 1.5622 1.5626 1.8177 1.8186 1.9885 1.9910 2.1505 2.1525 11.3545 11.3579 11.7729 11.7764 12.1892 12.1926 12.5185 12.5185 12.9311 12.9319 k = 0.2326 0.4028 0.4547 ( 4148 PWs) bands (ev): -16.3594 -16.3589 -16.0129 -16.0121 -15.3594 -15.3586 -14.8185 -14.8166 -14.7573 -14.7557 -14.7541 -14.7528 -5.8165 -5.8157 -4.5898 -4.5879 -3.9620 -3.9583 -2.7149 -2.7115 -2.6214 -2.6208 -2.3780 -2.3759 -0.7008 -0.7003 -0.5242 -0.5219 -0.0012 0.0009 0.2873 0.2894 0.5518 0.5531 0.8411 0.8417 1.2983 1.3009 1.4378 1.4383 1.5512 1.5521 1.8312 1.8321 2.0034 2.0061 2.1683 2.1702 11.3209 11.3242 11.7067 11.7100 12.1650 12.1680 12.5186 12.5187 12.8979 12.9007 k = 0.2248 0.3894 0.4547 ( 4152 PWs) bands (ev): -16.3631 -16.3626 -16.0375 -16.0368 -15.3296 -15.3288 -14.8162 -14.8142 -14.7558 -14.7538 -14.7523 -14.7511 -5.8688 -5.8680 -4.5465 -4.5447 -3.9531 -3.9491 -2.7256 -2.7220 -2.6329 -2.6322 -2.3669 -2.3647 -0.6899 -0.6893 -0.5290 -0.5268 0.0199 0.0218 0.2651 0.2670 0.5462 0.5475 0.8595 0.8607 1.2709 1.2739 1.4235 1.4242 1.5398 1.5412 1.8456 1.8464 2.0186 2.0213 2.1856 2.1873 11.2856 11.2888 11.6402 11.6433 12.1419 12.1445 12.5158 12.5160 12.8589 12.8635 k = 0.2171 0.3759 0.4547 ( 4164 PWs) bands (ev): -16.3670 -16.3664 -16.0619 -16.0612 -15.2996 -15.2989 -14.8139 -14.8117 -14.7544 -14.7516 -14.7507 -14.7491 -5.9208 -5.9201 -4.5037 -4.5021 -3.9439 -3.9398 -2.7366 -2.7329 -2.6458 -2.6449 -2.3553 -2.3531 -0.6780 -0.6773 -0.5316 -0.5294 0.0406 0.0423 0.2430 0.2448 0.5401 0.5416 0.8764 0.8783 1.2437 1.2470 1.4086 1.4096 1.5282 1.5301 1.8610 1.8616 2.0339 2.0367 2.2022 2.2038 11.2488 11.2520 11.5738 11.5768 12.1195 12.1217 12.5107 12.5108 12.8168 12.8230 k = 0.2093 0.3625 0.4547 ( 4160 PWs) bands (ev): -16.3710 -16.3704 -16.0859 -16.0853 -15.2695 -15.2688 -14.8114 -14.8091 -14.7531 -14.7493 -14.7492 -14.7468 -5.9724 -5.9717 -4.4616 -4.4600 -3.9345 -3.9302 -2.7480 -2.7442 -2.6601 -2.6590 -2.3432 -2.3410 -0.6649 -0.6642 -0.5319 -0.5299 0.0610 0.0625 0.2212 0.2228 0.5339 0.5354 0.8916 0.8942 1.2168 1.2205 1.3931 1.3944 1.5166 1.5189 1.8772 1.8778 2.0494 2.0521 2.2183 2.2198 11.2108 11.2139 11.5078 11.5106 12.0978 12.0995 12.5036 12.5038 12.7737 12.7812 k = 0.2016 0.3491 0.4547 ( 4160 PWs) bands (ev): -16.3751 -16.3745 -16.1096 -16.1090 -15.2395 -15.2388 -14.8089 -14.8065 -14.7519 -14.7479 -14.7467 -14.7444 -6.0234 -6.0229 -4.4201 -4.4187 -3.9249 -3.9204 -2.7598 -2.7558 -2.6756 -2.6744 -2.3308 -2.3286 -0.6507 -0.6499 -0.5301 -0.5281 0.0811 0.0824 0.1996 0.2011 0.5274 0.5289 0.9048 0.9081 1.1903 1.1943 1.3771 1.3786 1.5050 1.5078 1.8943 1.8948 2.0648 2.0675 2.2337 2.2351 11.1718 11.1748 11.4424 11.4452 12.0765 12.0778 12.4949 12.4951 12.7305 12.7393 k = 0.1938 0.3357 0.4547 ( 4156 PWs) bands (ev): -16.3793 -16.3787 -16.1329 -16.1323 -15.2095 -15.2089 -14.8063 -14.8037 -14.7507 -14.7466 -14.7441 -14.7418 -6.0739 -6.0734 -4.3793 -4.3781 -3.9152 -3.9105 -2.7719 -2.7678 -2.6922 -2.6909 -2.3181 -2.3160 -0.6353 -0.6345 -0.5262 -0.5242 0.1009 0.1020 0.1783 0.1797 0.5207 0.5223 0.9159 0.9199 1.1644 1.1685 1.3604 1.3622 1.4936 1.4968 1.9123 1.9127 2.0802 2.0828 2.2485 2.2499 11.1322 11.1350 11.3780 11.3806 12.0555 12.0563 12.4851 12.4852 12.6881 12.6980 k = 0.1860 0.3222 0.4547 ( 4154 PWs) bands (ev): -16.3836 -16.3830 -16.1556 -16.1551 -15.1797 -15.1791 -14.8036 -14.8010 -14.7495 -14.7454 -14.7414 -14.7391 -6.1237 -6.1232 -4.3392 -4.3381 -3.9053 -3.9005 -2.7844 -2.7802 -2.7099 -2.7085 -2.3053 -2.3031 -0.6189 -0.6180 -0.5201 -0.5182 0.1205 0.1214 0.1575 0.1587 0.5138 0.5155 0.9247 0.9293 1.1389 1.1433 1.3432 1.3452 1.4824 1.4860 1.9311 1.9314 2.0954 2.0980 2.2626 2.2640 11.0920 11.0948 11.3146 11.3172 12.0346 12.0349 12.4744 12.4745 12.6471 12.6580 k = 0.1783 0.3088 0.4547 ( 4154 PWs) bands (ev): -16.3879 -16.3873 -16.1778 -16.1773 -15.1501 -15.1496 -14.8009 -14.7982 -14.7484 -14.7442 -14.7386 -14.7363 -6.1725 -6.1721 -4.2999 -4.2989 -3.8953 -3.8903 -2.7972 -2.7929 -2.7286 -2.7269 -2.2924 -2.2903 -0.6014 -0.6005 -0.5120 -0.5102 0.1366 0.1369 0.1410 0.1411 0.5069 0.5085 0.9311 0.9363 1.1141 1.1187 1.3252 1.3275 1.4715 1.4754 1.9507 1.9510 2.1105 2.1129 2.2761 2.2775 11.0517 11.0543 11.2526 11.2551 12.0133 12.0135 12.4632 12.4632 12.6081 12.6198 k = 0.1705 0.2954 0.4547 ( 4154 PWs) bands (ev): -16.3922 -16.3917 -16.1994 -16.1989 -15.1209 -15.1204 -14.7982 -14.7953 -14.7473 -14.7431 -14.7357 -14.7335 -6.2204 -6.2201 -4.2613 -4.2605 -3.8853 -3.8802 -2.8104 -2.8061 -2.7480 -2.7462 -2.2795 -2.2774 -0.5829 -0.5819 -0.5020 -0.5003 0.1171 0.1179 0.1593 0.1596 0.5000 0.5016 0.9349 0.9408 1.0899 1.0948 1.3067 1.3092 1.4609 1.4651 1.9710 1.9713 2.1252 2.1276 2.2889 2.2903 11.0113 11.0138 11.1921 11.1945 11.9915 11.9921 12.4515 12.4516 12.5714 12.5837 k = 0.1628 0.2820 0.4547 ( 4154 PWs) bands (ev): -16.3966 -16.3960 -16.2203 -16.2199 -15.0921 -15.0916 -14.7954 -14.7925 -14.7463 -14.7421 -14.7328 -14.7307 -6.2673 -6.2669 -4.2235 -4.2228 -3.8752 -3.8700 -2.8240 -2.8196 -2.7680 -2.7661 -2.2666 -2.2647 -0.5635 -0.5624 -0.4902 -0.4886 0.0978 0.0986 0.1783 0.1783 0.4931 0.4946 0.9362 0.9427 1.0663 1.0715 1.2876 1.2904 1.4506 1.4551 1.9918 1.9922 2.1397 2.1420 2.3011 2.3025 10.9712 10.9735 11.1333 11.1356 11.9692 11.9702 12.4397 12.4400 12.5373 12.5501 k = 0.1550 0.2685 0.4547 ( 4154 PWs) bands (ev): -16.4009 -16.4004 -16.2406 -16.2402 -15.0639 -15.0634 -14.7927 -14.7896 -14.7454 -14.7411 -14.7299 -14.7278 -6.3129 -6.3126 -4.1864 -4.1860 -3.8651 -3.8597 -2.8379 -2.8335 -2.7886 -2.7865 -2.2540 -2.2521 -0.5431 -0.5420 -0.4768 -0.4753 0.0792 0.0798 0.1969 0.1972 0.4863 0.4877 0.9351 0.9420 1.0435 1.0489 1.2679 1.2710 1.4406 1.4453 2.0132 2.0136 2.1539 2.1560 2.3127 2.3142 10.9315 10.9338 11.0762 11.0785 11.9464 11.9478 12.4278 12.4283 12.5061 12.5192 k = 0.1473 0.2551 0.4547 ( 4150 PWs) bands (ev): -16.4052 -16.4046 -16.2601 -16.2598 -15.0362 -15.0358 -14.7899 -14.7868 -14.7445 -14.7402 -14.7269 -14.7250 -6.3572 -6.3569 -4.1502 -4.1500 -3.8549 -3.8496 -2.8522 -2.8477 -2.8095 -2.8072 -2.2416 -2.2398 -0.5220 -0.5208 -0.4619 -0.4605 0.0613 0.0617 0.2154 0.2159 0.4797 0.4810 0.9315 0.9389 1.0213 1.0269 1.2478 1.2511 1.4309 1.4358 2.0349 2.0354 2.1676 2.1696 2.3236 2.3252 10.8926 10.8947 11.0212 11.0234 11.9231 11.9248 12.4160 12.4169 12.4779 12.4911 k = 0.1395 0.2417 0.4547 ( 4154 PWs) bands (ev): -16.4094 -16.4089 -16.2789 -16.2786 -15.0093 -15.0089 -14.7872 -14.7840 -14.7437 -14.7394 -14.7240 -14.7221 -6.4001 -6.3999 -4.1149 -4.1148 -3.8449 -3.8394 -2.8668 -2.8623 -2.8306 -2.8282 -2.2296 -2.2279 -0.5002 -0.4989 -0.4457 -0.4444 0.0441 0.0444 0.2337 0.2345 0.4734 0.4745 0.9256 0.9333 0.9998 1.0057 1.2272 1.2308 1.4215 1.4265 2.0568 2.0575 2.1810 2.1828 2.3339 2.3356 10.8545 10.8565 10.9683 10.9704 11.8992 11.9011 12.4043 12.4057 12.4528 12.4657 k = 0.1318 0.2283 0.4547 ( 4154 PWs) bands (ev): -16.4135 -16.4130 -16.2969 -16.2965 -14.9832 -14.9828 -14.7845 -14.7812 -14.7430 -14.7387 -14.7211 -14.7193 -6.4415 -6.4412 -4.0805 -4.0804 -3.8349 -3.8294 -2.8817 -2.8773 -2.8517 -2.8492 -2.2179 -2.2163 -0.4778 -0.4765 -0.4285 -0.4273 0.0276 0.0279 0.2519 0.2530 0.4675 0.4684 0.9177 0.9256 0.9790 0.9851 1.2064 1.2103 1.4123 1.4174 2.0788 2.0796 2.1938 2.1955 2.3436 2.3455 10.8175 10.8193 10.9176 10.9196 11.8750 11.8770 12.3928 12.3949 12.4307 12.4430 k = 0.1240 0.2148 0.4547 ( 4154 PWs) bands (ev): -16.4175 -16.4170 -16.3140 -16.3137 -14.9579 -14.9576 -14.7819 -14.7785 -14.7424 -14.7381 -14.7183 -14.7166 -6.4812 -6.4810 -4.0471 -4.0469 -3.8250 -3.8195 -2.8968 -2.8925 -2.8727 -2.8701 -2.2067 -2.2052 -0.4550 -0.4537 -0.4104 -0.4093 0.0121 0.0122 0.2700 0.2714 0.4621 0.4628 0.9078 0.9157 0.9587 0.9650 1.1854 1.1896 1.4033 1.4084 2.1006 2.1016 2.2061 2.2077 2.3528 2.3548 10.7817 10.7834 10.8692 10.8712 11.8504 11.8526 12.3814 12.3844 12.4116 12.4228 k = 0.1163 0.2014 0.4547 ( 4160 PWs) bands (ev): -16.4213 -16.4209 -16.3302 -16.3299 -14.9337 -14.9333 -14.7793 -14.7759 -14.7418 -14.7375 -14.7155 -14.7139 -6.5191 -6.5189 -4.0147 -4.0143 -3.8152 -3.8098 -2.9122 -2.9080 -2.8933 -2.8908 -2.1960 -2.1946 -0.4320 -0.4306 -0.3916 -0.3907 -0.0027 -0.0027 0.2880 0.2897 0.4574 0.4578 0.8961 0.9041 0.9390 0.9454 1.1645 1.1689 1.3945 1.3995 2.1220 2.1233 2.2179 2.2193 2.3614 2.3635 10.7473 10.7489 10.8233 10.8252 11.8259 11.8281 12.3702 12.3744 12.3953 12.4051 k = 0.1085 0.1880 0.4547 ( 4164 PWs) bands (ev): -16.4251 -16.4246 -16.3455 -16.3453 -14.9105 -14.9102 -14.7768 -14.7733 -14.7414 -14.7370 -14.7129 -14.7113 -6.5552 -6.5550 -3.9833 -3.9827 -3.8056 -3.8003 -2.9277 -2.9237 -2.9135 -2.9110 -2.1858 -2.1845 -0.4088 -0.4075 -0.3724 -0.3716 -0.0167 -0.0165 0.3058 0.3079 0.4534 0.4536 0.8829 0.8908 0.9196 0.9261 1.1437 1.1484 1.3858 1.3907 2.1430 2.1446 2.2291 2.2304 2.3694 2.3717 10.7146 10.7160 10.7799 10.7817 11.8015 11.8037 12.3594 12.3649 12.3814 12.3895 k = 0.1008 0.1745 0.4547 ( 4156 PWs) bands (ev): -16.4286 -16.4282 -16.3599 -16.3597 -14.8884 -14.8882 -14.7743 -14.7708 -14.7410 -14.7367 -14.7103 -14.7089 -6.5893 -6.5892 -3.9529 -3.9523 -3.7962 -3.7910 -2.9433 -2.9398 -2.9328 -2.9306 -2.1761 -2.1750 -0.3858 -0.3845 -0.3531 -0.3525 -0.0297 -0.0294 0.3236 0.3260 0.4503 0.4505 0.8684 0.8761 0.9006 0.9071 1.1234 1.1283 1.3772 1.3820 2.1633 2.1651 2.2397 2.2408 2.3769 2.3794 10.6835 10.6848 10.7392 10.7409 11.7777 11.7797 12.3491 12.3559 12.3696 12.3759 k = 0.0930 0.1611 0.4547 ( 4152 PWs) bands (ev): -16.4319 -16.4315 -16.3733 -16.3731 -14.8677 -14.8674 -14.7719 -14.7683 -14.7407 -14.7364 -14.7078 -14.7065 -6.6213 -6.6212 -3.9238 -3.9230 -3.7871 -3.7821 -2.9590 -2.9564 -2.9508 -2.9495 -2.1671 -2.1661 -0.3631 -0.3618 -0.3339 -0.3334 -0.0418 -0.0414 0.3412 0.3439 0.4481 0.4486 0.8528 0.8602 0.8817 0.8881 1.1037 1.1087 1.3689 1.3734 2.1828 2.1849 2.2497 2.2506 2.3838 2.3865 10.6542 10.6554 10.7012 10.7028 11.7545 11.7564 12.3396 12.3474 12.3593 12.3640 k = 0.0853 0.1477 0.4547 ( 4160 PWs) bands (ev): -16.4351 -16.4347 -16.3858 -16.3856 -14.8482 -14.8480 -14.7695 -14.7660 -14.7404 -14.7362 -14.7055 -14.7043 -6.6512 -6.6511 -3.8959 -3.8950 -3.7784 -3.7735 -2.9747 -2.9735 -2.9675 -2.9674 -2.1588 -2.1578 -0.3409 -0.3397 -0.3150 -0.3148 -0.0530 -0.0525 0.3586 0.3617 0.4472 0.4480 0.8363 0.8434 0.8628 0.8691 1.0850 1.0901 1.3607 1.3651 2.2012 2.2035 2.2589 2.2597 2.3903 2.3931 10.6269 10.6280 10.6660 10.6675 11.7323 11.7340 12.3310 12.3394 12.3504 12.3536 k = 0.0775 0.1343 0.4547 ( 4168 PWs) bands (ev): -16.4380 -16.4377 -16.3972 -16.3970 -14.8302 -14.8300 -14.7673 -14.7638 -14.7403 -14.7362 -14.7033 -14.7022 -6.6788 -6.6787 -3.8694 -3.8684 -3.7700 -3.7654 -2.9902 -2.9902 -2.9842 -2.9832 -2.1511 -2.1502 -0.3195 -0.3184 -0.2969 -0.2968 -0.0632 -0.0626 0.3759 0.3792 0.4476 0.4488 0.8192 0.8259 0.8438 0.8500 1.0674 1.0724 1.3528 1.3569 2.2185 2.2211 2.2675 2.2682 2.3963 2.3992 10.6017 10.6027 10.6337 10.6351 11.7112 11.7128 12.3233 12.3319 12.3424 12.3446 k = 0.0698 0.1208 0.4547 ( 4172 PWs) bands (ev): -16.4407 -16.4404 -16.4076 -16.4075 -14.8136 -14.8134 -14.7652 -14.7617 -14.7402 -14.7362 -14.7013 -14.7003 -6.7041 -6.7040 -3.8444 -3.8434 -3.7621 -3.7577 -3.0062 -3.0054 -2.9998 -2.9982 -2.1441 -2.1433 -0.2991 -0.2980 -0.2797 -0.2796 -0.0724 -0.0717 0.3929 0.3965 0.4495 0.4511 0.8016 0.8080 0.8248 0.8306 1.0512 1.0561 1.3453 1.3491 2.2344 2.2372 2.2754 2.2759 2.4017 2.4047 10.5785 10.5794 10.6043 10.6055 11.6916 11.6930 12.3165 12.3250 12.3354 12.3368 k = 0.0620 0.1074 0.4547 ( 4174 PWs) bands (ev): -16.4431 -16.4429 -16.4170 -16.4168 -14.7986 -14.7984 -14.7631 -14.7597 -14.7402 -14.7363 -14.6994 -14.6985 -6.7269 -6.7269 -3.8211 -3.8201 -3.7546 -3.7506 -3.0210 -3.0199 -3.0143 -3.0124 -2.1377 -2.1371 -0.2800 -0.2790 -0.2638 -0.2635 -0.0807 -0.0799 0.4096 0.4135 0.4529 0.4549 0.7839 0.7897 0.8057 0.8111 1.0365 1.0412 1.3382 1.3417 2.2489 2.2519 2.2826 2.2829 2.4067 2.4097 10.5577 10.5585 10.5778 10.5790 11.6736 11.6748 12.3106 12.3187 12.3292 12.3301 k = 0.0543 0.0940 0.4547 ( 4184 PWs) bands (ev): -16.4453 -16.4451 -16.4252 -16.4251 -14.7853 -14.7851 -14.7611 -14.7579 -14.7402 -14.7365 -14.6978 -14.6970 -6.7473 -6.7472 -3.7998 -3.7988 -3.7478 -3.7441 -3.0345 -3.0334 -3.0276 -3.0258 -2.1321 -2.1315 -0.2623 -0.2615 -0.2492 -0.2487 -0.0880 -0.0872 0.4258 0.4299 0.4579 0.4601 0.7663 0.7715 0.7867 0.7915 1.0236 1.0279 1.3317 1.3348 2.2619 2.2650 2.2891 2.2892 2.4112 2.4142 10.5391 10.5398 10.5544 10.5554 11.6573 11.6584 12.3056 12.3129 12.3238 12.3243 k = 0.0465 0.0806 0.4547 ( 4184 PWs) bands (ev): -16.4472 -16.4470 -16.4325 -16.4324 -14.7738 -14.7735 -14.7591 -14.7563 -14.7402 -14.7368 -14.6963 -14.6956 -6.7651 -6.7650 -3.7805 -3.7796 -3.7416 -3.7384 -3.0465 -3.0456 -3.0396 -3.0380 -2.1273 -2.1267 -0.2464 -0.2457 -0.2362 -0.2356 -0.0943 -0.0935 0.4415 0.4457 0.4643 0.4667 0.7491 0.7534 0.7683 0.7722 1.0124 1.0163 1.3257 1.3285 2.2732 2.2762 2.2948 2.2949 2.4153 2.4180 10.5229 10.5234 10.5341 10.5349 11.6430 11.6439 12.3014 12.3079 12.3191 12.3194 k = 0.0388 0.0671 0.4547 ( 4184 PWs) bands (ev): -16.4488 -16.4487 -16.4386 -16.4385 -14.7644 -14.7637 -14.7569 -14.7548 -14.7402 -14.7372 -14.6950 -14.6944 -6.7802 -6.7802 -3.7636 -3.7627 -3.7362 -3.7334 -3.0570 -3.0563 -3.0502 -3.0490 -2.1231 -2.1227 -0.2325 -0.2320 -0.2249 -0.2242 -0.0996 -0.0988 0.4563 0.4604 0.4719 0.4744 0.7326 0.7359 0.7506 0.7535 1.0031 1.0064 1.3205 1.3229 2.2828 2.2856 2.2997 2.3000 2.4188 2.4213 10.5091 10.5095 10.5168 10.5175 11.6306 11.6314 12.2980 12.3035 12.3151 12.3153 k = 0.0310 0.0537 0.4547 ( 4180 PWs) bands (ev): -16.4502 -16.4500 -16.4436 -16.4435 -14.7586 -14.7565 -14.7529 -14.7527 -14.7401 -14.7376 -14.6939 -14.6935 -6.7927 -6.7926 -3.7493 -3.7485 -3.7316 -3.7293 -3.0658 -3.0653 -3.0592 -3.0583 -2.1197 -2.1193 -0.2208 -0.2205 -0.2155 -0.2146 -0.1040 -0.1032 0.4700 0.4737 0.4803 0.4826 0.7174 0.7196 0.7344 0.7362 0.9956 0.9983 1.3162 1.3181 2.2905 2.2930 2.3041 2.3044 2.4218 2.4239 10.4977 10.4981 10.5026 10.5032 11.6204 11.6210 12.2953 12.2998 12.3119 12.3120 k = 0.0233 0.0403 0.4547 ( 4184 PWs) bands (ev): -16.4512 -16.4511 -16.4475 -16.4475 -14.7563 -14.7539 -14.7482 -14.7476 -14.7399 -14.7380 -14.6931 -14.6927 -6.8024 -6.8024 -3.7378 -3.7372 -3.7278 -3.7261 -3.0729 -3.0726 -3.0664 -3.0658 -2.1170 -2.1168 -0.2116 -0.2115 -0.2078 -0.2070 -0.1074 -0.1067 0.4820 0.4848 0.4891 0.4907 0.7039 0.7051 0.7203 0.7210 0.9899 0.9920 1.3128 1.3142 2.2963 2.2983 2.3079 2.3081 2.4242 2.4260 10.4889 10.4892 10.4916 10.4921 11.6124 11.6129 12.2934 12.2968 12.3094 12.3094 k = 0.0155 0.0269 0.4547 ( 4186 PWs) bands (ev): -16.4520 -16.4519 -16.4503 -16.4503 -14.7549 -14.7532 -14.7442 -14.7434 -14.7394 -14.7384 -14.6925 -14.6922 -6.8094 -6.8094 -3.7294 -3.7290 -3.7250 -3.7238 -3.0780 -3.0780 -3.0716 -3.0713 -2.1151 -2.1149 -0.2052 -0.2051 -0.2021 -0.2014 -0.1097 -0.1092 0.4918 0.4933 0.4969 0.4976 0.6931 0.6935 0.7090 0.7091 0.9860 0.9874 1.3103 1.3113 2.3003 2.3016 2.3109 2.3110 2.4261 2.4273 10.4826 10.4827 10.4838 10.4841 11.6067 11.6070 12.2921 12.2944 12.3076 12.3076 k = 0.0078 0.0134 0.4547 ( 4182 PWs) bands (ev): -16.4524 -16.4524 -16.4520 -16.4520 -14.7539 -14.7530 -14.7420 -14.7413 -14.7385 -14.7384 -14.6921 -14.6919 -6.8136 -6.8136 -3.7242 -3.7240 -3.7232 -3.7226 -3.0812 -3.0812 -3.0748 -3.0747 -2.1139 -2.1138 -0.2014 -0.2014 -0.1983 -0.1980 -0.1111 -0.1108 0.4984 0.4989 0.5021 0.5022 0.6859 0.6859 0.7015 0.7016 0.9838 0.9845 1.3089 1.3094 2.3027 2.3034 2.3129 2.3129 2.4274 2.4280 10.4788 10.4788 10.4791 10.4793 11.6032 11.6034 12.2917 12.2928 12.3065 12.3065 k = 0.0000 0.0000 0.4547 ( 4198 PWs) bands (ev): -16.4526 -16.4526 -16.4525 -16.4525 -14.7533 -14.7533 -14.7411 -14.7411 -14.7381 -14.7381 -14.6919 -14.6919 -6.8150 -6.8150 -3.7224 -3.7224 -3.7224 -3.7224 -3.0823 -3.0823 -3.0758 -3.0758 -2.1135 -2.1135 -0.2002 -0.2002 -0.1969 -0.1969 -0.1114 -0.1114 0.5009 0.5009 0.5039 0.5039 0.6833 0.6833 0.6989 0.6989 0.9833 0.9833 1.3086 1.3086 2.3037 2.3037 2.3136 2.3136 2.4280 2.4280 10.4775 10.4775 10.4776 10.4776 11.6021 11.6021 12.2919 12.2919 12.3061 12.3061 k = 0.5000 0.2887 0.4547 ( 4148 PWs) bands (ev): -16.3612 -16.3612 -15.9204 -15.9204 -15.4683 -15.4683 -14.8295 -14.8295 -14.7557 -14.7557 -14.7363 -14.7363 -5.7107 -5.7107 -4.7407 -4.7407 -3.8687 -3.8687 -2.7891 -2.7891 -2.5147 -2.5147 -2.4012 -2.4012 -0.6886 -0.6886 -0.6702 -0.6702 0.0847 0.0847 0.4090 0.4090 0.4245 0.4245 0.9642 0.9642 1.2463 1.2463 1.3718 1.3718 1.6335 1.6335 1.6857 1.6857 1.9180 1.9180 2.3253 2.3253 11.4637 11.4637 11.9414 11.9414 12.1995 12.1995 12.3639 12.3639 12.7607 12.7607 k = 0.5000 0.2887 0.4396 ( 4158 PWs) bands (ev): -16.3614 -16.3614 -15.9205 -15.9205 -15.4680 -15.4678 -14.8295 -14.8294 -14.7560 -14.7556 -14.7364 -14.7361 -5.7113 -5.7111 -4.7411 -4.7409 -3.8679 -3.8675 -2.7905 -2.7899 -2.5130 -2.5126 -2.4020 -2.4019 -0.6886 -0.6882 -0.6698 -0.6694 0.0840 0.0847 0.4001 0.4036 0.4295 0.4330 0.9626 0.9636 1.2448 1.2460 1.3712 1.3726 1.6238 1.6250 1.6961 1.6972 1.9172 1.9175 2.3255 2.3259 11.4613 11.4619 11.9350 11.9357 12.1971 12.2006 12.3683 12.3709 12.7636 12.7647 k = 0.5000 0.2887 0.4244 ( 4158 PWs) bands (ev): -16.3621 -16.3620 -15.9208 -15.9208 -15.4670 -15.4667 -14.8292 -14.8290 -14.7566 -14.7558 -14.7365 -14.7358 -5.7128 -5.7124 -4.7421 -4.7419 -3.8650 -3.8642 -2.7942 -2.7930 -2.5075 -2.5067 -2.4044 -2.4042 -0.6881 -0.6872 -0.6682 -0.6675 0.0825 0.0839 0.3876 0.3915 0.4403 0.4442 0.9586 0.9605 1.2416 1.2438 1.3706 1.3735 1.6064 1.6078 1.7185 1.7198 1.9150 1.9157 2.3264 2.3273 11.4549 11.4561 11.9178 11.9192 12.1937 12.1999 12.3830 12.3875 12.7736 12.7756 k = 0.5000 0.2887 0.4093 ( 4162 PWs) bands (ev): -16.3631 -16.3629 -15.9213 -15.9213 -15.4654 -15.4648 -14.8286 -14.8283 -14.7574 -14.7562 -14.7366 -14.7356 -5.7152 -5.7145 -4.7437 -4.7434 -3.8601 -3.8589 -2.7997 -2.7980 -2.4985 -2.4974 -2.4083 -2.4080 -0.6871 -0.6858 -0.6655 -0.6644 0.0802 0.0824 0.3741 0.3781 0.4517 0.4556 0.9523 0.9552 1.2365 1.2398 1.3701 1.3743 1.5890 1.5903 1.7448 1.7462 1.9115 1.9126 2.3281 2.3293 11.4442 11.4460 11.8931 11.8952 12.1892 12.1971 12.4048 12.4105 12.7908 12.7936 k = 0.5000 0.2887 0.3941 ( 4166 PWs) bands (ev): -16.3645 -16.3643 -15.9220 -15.9219 -15.4630 -15.4623 -14.8279 -14.8275 -14.7583 -14.7568 -14.7366 -14.7353 -5.7184 -5.7176 -4.7460 -4.7455 -3.8531 -3.8515 -2.8067 -2.8046 -2.4867 -2.4854 -2.4136 -2.4131 -0.6856 -0.6839 -0.6616 -0.6602 0.0772 0.0801 0.3600 0.3640 0.4630 0.4669 0.9439 0.9476 1.2296 1.2338 1.3695 1.3748 1.5736 1.5747 1.7729 1.7742 1.9068 1.9082 2.3305 2.3321 11.4292 11.4315 11.8644 11.8673 12.1836 12.1924 12.4302 12.4364 12.8154 12.8188 k = 0.5000 0.2887 0.3789 ( 4160 PWs) bands (ev): -16.3663 -16.3661 -15.9228 -15.9228 -15.4600 -15.4591 -14.8269 -14.8264 -14.7594 -14.7576 -14.7366 -14.7351 -5.7225 -5.7214 -4.7488 -4.7483 -3.8442 -3.8423 -2.8146 -2.8122 -2.4729 -2.4715 -2.4199 -2.4192 -0.6835 -0.6815 -0.6566 -0.6548 0.0734 0.0770 0.3453 0.3494 0.4742 0.4781 0.9335 0.9379 1.2210 1.2260 1.3687 1.3748 1.5609 1.5618 1.8019 1.8030 1.9009 1.9026 2.3336 2.3356 11.4098 11.4127 11.8344 11.8380 12.1769 12.1863 12.4560 12.4625 12.8473 12.8510 k = 0.5000 0.2887 0.3638 ( 4172 PWs) bands (ev): -16.3685 -16.3682 -15.9238 -15.9238 -15.4564 -15.4553 -14.8257 -14.8252 -14.7607 -14.7587 -14.7366 -14.7349 -5.7273 -5.7261 -4.7522 -4.7515 -3.8334 -3.8311 -2.8232 -2.8204 -2.4589 -2.4576 -2.4260 -2.4249 -0.6810 -0.6786 -0.6505 -0.6484 0.0688 0.0731 0.3302 0.3343 0.4854 0.4893 0.9212 0.9262 1.2105 1.2163 1.3675 1.3742 1.5512 1.5521 1.8312 1.8322 1.8940 1.8958 2.3375 2.3398 11.3863 11.3895 11.8050 11.8092 12.1694 12.1792 12.4803 12.4871 12.8855 12.8892 k = 0.5000 0.2887 0.3486 ( 4168 PWs) bands (ev): -16.3709 -16.3706 -15.9249 -15.9249 -15.4522 -15.4510 -14.8243 -14.8237 -14.7620 -14.7598 -14.7366 -14.7348 -5.7328 -5.7314 -4.7561 -4.7553 -3.8207 -3.8181 -2.8320 -2.8290 -2.4520 -2.4513 -2.4247 -2.4229 -0.6780 -0.6752 -0.6433 -0.6408 0.0634 0.0685 0.3148 0.3190 0.4965 0.5004 0.9071 0.9127 1.1985 1.2047 1.3659 1.3729 1.5445 1.5457 1.8603 1.8613 1.8864 1.8882 2.3420 2.3446 11.3588 11.3624 11.7774 11.7822 12.1614 12.1713 12.5024 12.5092 12.9285 12.9318 k = 0.5000 0.2887 0.3335 ( 4168 PWs) bands (ev): -16.3736 -16.3733 -15.9262 -15.9262 -15.4475 -15.4462 -14.8228 -14.8221 -14.7634 -14.7611 -14.7366 -14.7347 -5.7389 -5.7374 -4.7604 -4.7596 -3.8063 -3.8034 -2.8408 -2.8377 -2.4583 -2.4582 -2.4103 -2.4084 -0.6745 -0.6714 -0.6352 -0.6323 0.0574 0.0631 0.2991 0.3035 0.5077 0.5115 0.8914 0.8975 1.1849 1.1916 1.3639 1.3710 1.5405 1.5423 1.8743 1.8785 1.8905 1.8936 2.3472 2.3500 11.3279 11.3317 11.7521 11.7572 12.1532 12.1632 12.5219 12.5286 12.9722 12.9742 k = 0.5000 0.2887 0.3183 ( 4170 PWs) bands (ev): -16.3766 -16.3762 -15.9276 -15.9276 -15.4424 -15.4409 -14.8212 -14.8204 -14.7648 -14.7624 -14.7367 -14.7348 -5.7456 -5.7440 -4.7652 -4.7643 -3.7902 -3.7870 -2.8493 -2.8461 -2.4702 -2.4701 -2.3910 -2.3892 -0.6705 -0.6670 -0.6261 -0.6229 0.0505 0.0570 0.2833 0.2879 0.5188 0.5225 0.8743 0.8809 1.1701 1.1770 1.3616 1.3686 1.5390 1.5415 1.8657 1.8689 1.9195 1.9212 2.3529 2.3560 11.2943 11.2981 11.7292 11.7346 12.1450 12.1550 12.5390 12.5454 13.0051 13.0078 k = 0.5000 0.2887 0.3032 ( 4166 PWs) bands (ev): -16.3798 -16.3793 -15.9291 -15.9291 -15.4368 -15.4352 -14.8194 -14.8186 -14.7663 -14.7638 -14.7369 -14.7349 -5.7527 -5.7510 -4.7703 -4.7693 -3.7725 -3.7691 -2.8576 -2.8543 -2.4846 -2.4842 -2.3702 -2.3684 -0.6660 -0.6622 -0.6161 -0.6125 0.0430 0.0501 0.2677 0.2726 0.5299 0.5336 0.8560 0.8630 1.1541 1.1612 1.3592 1.3659 1.5396 1.5428 1.8552 1.8583 1.9480 1.9494 2.3593 2.3624 11.2586 11.2625 11.7085 11.7140 12.1371 12.1470 12.5537 12.5598 13.0193 13.0254 k = 0.5000 0.2887 0.2880 ( 4170 PWs) bands (ev): -16.3831 -16.3826 -15.9307 -15.9307 -15.4309 -15.4292 -14.8176 -14.8167 -14.7677 -14.7652 -14.7371 -14.7351 -5.7601 -5.7584 -4.7756 -4.7747 -3.7533 -3.7496 -2.8653 -2.8620 -2.5007 -2.5002 -2.3486 -2.3469 -0.6611 -0.6569 -0.6053 -0.6014 0.0348 0.0425 0.2524 0.2575 0.5409 0.5446 0.8368 0.8441 1.1371 1.1444 1.3568 1.3632 1.5418 1.5456 1.8439 1.8470 1.9758 1.9770 2.3661 2.3694 11.2217 11.2254 11.6899 11.6954 12.1297 12.1396 12.5663 12.5718 13.0249 13.0321 k = 0.5000 0.2887 0.2728 ( 4168 PWs) bands (ev): -16.3865 -16.3861 -15.9324 -15.9323 -15.4247 -15.4229 -14.8158 -14.8148 -14.7691 -14.7666 -14.7374 -14.7354 -5.7679 -5.7661 -4.7813 -4.7802 -3.7328 -3.7289 -2.8726 -2.8693 -2.5182 -2.5176 -2.3267 -2.3251 -0.6557 -0.6512 -0.5938 -0.5895 0.0258 0.0340 0.2376 0.2430 0.5517 0.5554 0.8168 0.8244 1.1195 1.1268 1.3546 1.3606 1.5450 1.5495 1.8321 1.8352 2.0027 2.0039 2.3734 2.3767 11.1841 11.1878 11.6729 11.6783 12.1231 12.1329 12.5763 12.5812 13.0263 13.0333 k = 0.5000 0.2887 0.2577 ( 4156 PWs) bands (ev): -16.3901 -16.3896 -15.9341 -15.9340 -15.4183 -15.4164 -14.8139 -14.8129 -14.7704 -14.7679 -14.7378 -14.7358 -5.7758 -5.7740 -4.7871 -4.7860 -3.7109 -3.7069 -2.8792 -2.8759 -2.5371 -2.5364 -2.3047 -2.3031 -0.6498 -0.6452 -0.5817 -0.5771 0.0163 0.0249 0.2237 0.2292 0.5622 0.5659 0.7963 0.8042 1.1013 1.1086 1.3528 1.3582 1.5489 1.5539 1.8200 1.8232 2.0287 2.0298 2.3810 2.3844 11.1466 11.1501 11.6573 11.6626 12.1175 12.1271 12.5836 12.5877 13.0243 13.0301 k = 0.5000 0.2887 0.2425 ( 4156 PWs) bands (ev): -16.3936 -16.3932 -15.9358 -15.9357 -15.4117 -15.4098 -14.8121 -14.8111 -14.7716 -14.7692 -14.7383 -14.7362 -5.7838 -5.7820 -4.7930 -4.7919 -3.6880 -3.6838 -2.8853 -2.8821 -2.5572 -2.5565 -2.2828 -2.2814 -0.6437 -0.6388 -0.5692 -0.5642 0.0061 0.0149 0.2109 0.2165 0.5722 0.5759 0.7757 0.7838 1.0826 1.0900 1.3514 1.3564 1.5529 1.5584 1.8078 1.8110 2.0535 2.0545 2.3889 2.3924 11.1097 11.1130 11.6429 11.6480 12.1129 12.1223 12.5875 12.5907 13.0187 13.0240 k = 0.5000 0.2887 0.2274 ( 4160 PWs) bands (ev): -16.3972 -16.3967 -15.9375 -15.9375 -15.4051 -15.4032 -14.8104 -14.8094 -14.7726 -14.7703 -14.7388 -14.7368 -5.7918 -5.7900 -4.7989 -4.7978 -3.6640 -3.6597 -2.8907 -2.8876 -2.5784 -2.5777 -2.2613 -2.2600 -0.6372 -0.6321 -0.5562 -0.5509 -0.0046 0.0042 0.1994 0.2051 0.5812 0.5850 0.7555 0.7638 1.0637 1.0710 1.3506 1.3551 1.5567 1.5627 1.7958 1.7989 2.0771 2.0781 2.3971 2.4005 11.0736 11.0767 11.6295 11.6345 12.1096 12.1189 12.5874 12.5899 13.0112 13.0176 k = 0.5000 0.2887 0.2122 ( 4156 PWs) bands (ev): -16.4007 -16.4003 -15.9393 -15.9392 -15.3984 -15.3965 -14.8089 -14.8078 -14.7734 -14.7713 -14.7393 -14.7374 -5.7998 -5.7979 -4.8048 -4.8038 -3.6392 -3.6348 -2.8956 -2.8925 -2.6007 -2.5998 -2.2403 -2.2390 -0.6304 -0.6252 -0.5429 -0.5374 -0.0159 -0.0073 0.1895 0.1951 0.5888 0.5924 0.7364 0.7448 1.0446 1.0519 1.3505 1.3545 1.5599 1.5663 1.7842 1.7873 2.0994 2.1004 2.4054 2.4087 11.0389 11.0418 11.6171 11.6218 12.1077 12.1168 12.5828 12.5848 13.0046 13.0127 k = 0.5000 0.2887 0.1970 ( 4154 PWs) bands (ev): -16.4042 -16.4037 -15.9410 -15.9409 -15.3919 -15.3900 -14.8075 -14.8065 -14.7739 -14.7721 -14.7399 -14.7381 -5.8075 -5.8057 -4.8106 -4.8096 -3.6137 -3.6093 -2.8999 -2.8969 -2.6238 -2.6229 -2.2200 -2.2188 -0.6236 -0.6183 -0.5295 -0.5238 -0.0278 -0.0194 0.1815 0.1870 0.5939 0.5972 0.7197 0.7279 1.0255 1.0327 1.3511 1.3547 1.5621 1.5688 1.7732 1.7764 2.1203 2.1212 2.4137 2.4169 11.0058 11.0085 11.6054 11.6099 12.1073 12.1162 12.5735 12.5751 13.0009 13.0105 k = 0.5000 0.2887 0.1819 ( 4150 PWs) bands (ev): -16.4075 -16.4071 -15.9426 -15.9426 -15.3854 -15.3836 -14.8064 -14.8054 -14.7742 -14.7727 -14.7406 -14.7388 -5.8150 -5.8133 -4.8163 -4.8153 -3.5876 -3.5832 -2.9036 -2.9007 -2.6476 -2.6467 -2.2005 -2.1994 -0.6166 -0.6113 -0.5161 -0.5102 -0.0400 -0.0322 0.1755 0.1810 0.5951 0.5975 0.7070 0.7145 1.0065 1.0135 1.3525 1.3557 1.5629 1.5699 1.7633 1.7666 2.1397 2.1406 2.4219 2.4250 10.9745 10.9770 11.5946 11.5988 12.1086 12.1172 12.5597 12.5611 13.0010 13.0115 k = 0.5000 0.2887 0.1667 ( 4146 PWs) bands (ev): -16.4107 -16.4103 -15.9442 -15.9442 -15.3792 -15.3774 -14.8056 -14.8045 -14.7742 -14.7730 -14.7413 -14.7395 -5.8222 -5.8206 -4.8217 -4.8208 -3.5613 -3.5568 -2.9068 -2.9040 -2.6720 -2.6711 -2.1819 -2.1809 -0.6097 -0.6045 -0.5027 -0.4967 -0.0527 -0.0455 0.1717 0.1771 0.5908 0.5920 0.7000 0.7063 0.9877 0.9946 1.3547 1.3576 1.5621 1.5692 1.7547 1.7580 2.1577 2.1586 2.4300 2.4329 10.9453 10.9476 11.5846 11.5885 12.1115 12.1199 12.5418 12.5432 13.0045 13.0157 k = 0.5000 0.2887 0.1516 ( 4146 PWs) bands (ev): -16.4137 -16.4133 -15.9458 -15.9457 -15.3732 -15.3715 -14.8050 -14.8039 -14.7740 -14.7731 -14.7420 -14.7403 -5.8290 -5.8275 -4.8269 -4.8260 -3.5348 -3.5304 -2.9095 -2.9068 -2.6967 -2.6958 -2.1645 -2.1636 -0.6030 -0.5979 -0.4895 -0.4834 -0.0657 -0.0591 0.1702 0.1756 0.5798 0.5810 0.6991 0.7039 0.9692 0.9759 1.3579 1.3604 1.5593 1.5665 1.7476 1.7509 2.1741 2.1749 2.4378 2.4406 10.9182 10.9203 11.5753 11.5789 12.1161 12.1243 12.5205 12.5221 13.0109 13.0223 k = 0.5000 0.2887 0.1364 ( 4150 PWs) bands (ev): -16.4165 -16.4162 -15.9472 -15.9471 -15.3676 -15.3660 -14.8047 -14.8036 -14.7735 -14.7729 -14.7427 -14.7411 -5.8354 -5.8339 -4.8317 -4.8309 -3.5084 -3.5041 -2.9117 -2.9091 -2.7215 -2.7206 -2.1483 -2.1474 -0.5966 -0.5917 -0.4766 -0.4706 -0.0788 -0.0730 0.1710 0.1764 0.5636 0.5660 0.7026 0.7061 0.9512 0.9577 1.3620 1.3642 1.5546 1.5618 1.7422 1.7454 2.1890 2.1898 2.4453 2.4478 10.8934 10.8953 11.5668 11.5701 12.1226 12.1306 12.4967 12.4986 13.0190 13.0303 k = 0.5000 0.2887 0.1213 ( 4142 PWs) bands (ev): -16.4191 -16.4188 -15.9485 -15.9484 -15.3624 -15.3609 -14.8046 -14.8035 -14.7729 -14.7725 -14.7434 -14.7419 -5.8412 -5.8399 -4.8362 -4.8354 -3.4825 -3.4784 -2.9135 -2.9109 -2.7461 -2.7453 -2.1334 -2.1327 -0.5905 -0.5859 -0.4640 -0.4582 -0.0919 -0.0869 0.1740 0.1796 0.5445 0.5480 0.7088 0.7116 0.9338 0.9400 1.3669 1.3690 1.5481 1.5551 1.7383 1.7414 2.2023 2.2030 2.4523 2.4546 10.8711 10.8727 11.5592 11.5621 12.1309 12.1386 12.4711 12.4734 13.0278 13.0387 k = 0.5000 0.2887 0.1061 ( 4142 PWs) bands (ev): -16.4214 -16.4212 -15.9497 -15.9496 -15.3576 -15.3563 -14.8046 -14.8035 -14.7722 -14.7719 -14.7441 -14.7427 -5.8464 -5.8453 -4.8402 -4.8396 -3.4574 -3.4535 -2.9147 -2.9122 -2.7702 -2.7695 -2.1201 -2.1194 -0.5850 -0.5807 -0.4518 -0.4464 -0.1048 -0.1005 0.1792 0.1848 0.5242 0.5283 0.7166 0.7190 0.9171 0.9230 1.3727 1.3746 1.5401 1.5467 1.7359 1.7387 2.2140 2.2147 2.4588 2.4608 10.8512 10.8526 11.5524 11.5550 12.1411 12.1485 12.4444 12.4471 13.0363 13.0462 k = 0.5000 0.2887 0.0909 ( 4146 PWs) bands (ev): -16.4235 -16.4233 -15.9507 -15.9507 -15.3533 -15.3521 -14.8048 -14.8038 -14.7714 -14.7712 -14.7447 -14.7435 -5.8511 -5.8501 -4.8438 -4.8433 -3.4335 -3.4299 -2.9155 -2.9129 -2.7934 -2.7927 -2.1082 -2.1076 -0.5800 -0.5762 -0.4404 -0.4353 -0.1172 -0.1136 0.1862 0.1919 0.5036 0.5081 0.7251 0.7274 0.9013 0.9069 1.3792 1.3811 1.5308 1.5370 1.7346 1.7371 2.2241 2.2247 2.4646 2.4664 10.8338 10.8351 11.5464 11.5487 12.1530 12.1602 12.4171 12.4202 13.0436 13.0521 k = 0.5000 0.2887 0.0758 ( 4144 PWs) bands (ev): -16.4253 -16.4251 -15.9516 -15.9516 -15.3496 -15.3486 -14.8050 -14.8041 -14.7707 -14.7704 -14.7453 -14.7442 -5.8551 -5.8542 -4.8469 -4.8464 -3.4115 -3.4082 -2.9158 -2.9132 -2.8152 -2.8146 -2.0981 -2.0976 -0.5757 -0.5724 -0.4297 -0.4252 -0.1288 -0.1258 0.1948 0.2002 0.4835 0.4881 0.7340 0.7362 0.8866 0.8917 1.3863 1.3883 1.5208 1.5264 1.7341 1.7362 2.2327 2.2332 2.4696 2.4712 10.8191 10.8202 11.5414 11.5433 12.1668 12.1738 12.3898 12.3933 13.0493 13.0561 k = 0.5000 0.2887 0.0606 ( 4140 PWs) bands (ev): -16.4267 -16.4266 -15.9524 -15.9524 -15.3465 -15.3457 -14.8052 -14.8044 -14.7700 -14.7697 -14.7458 -14.7449 -5.8583 -5.8577 -4.8495 -4.8491 -3.3918 -3.3889 -2.9154 -2.9128 -2.8352 -2.8344 -2.0896 -2.0892 -0.5720 -0.5694 -0.4201 -0.4163 -0.1391 -0.1368 0.2042 0.2093 0.4648 0.4692 0.7428 0.7450 0.8731 0.8777 1.3939 1.3959 1.5105 1.5156 1.7341 1.7359 2.2398 2.2402 2.4739 2.4752 10.8070 10.8079 11.5372 11.5387 12.1824 12.1891 12.3627 12.3666 13.0535 13.0586 k = 0.5000 0.2887 0.0455 ( 4154 PWs) bands (ev): -16.4279 -16.4278 -15.9530 -15.9530 -15.3440 -15.3434 -14.8053 -14.8047 -14.7694 -14.7691 -14.7462 -14.7454 -5.8609 -5.8604 -4.8515 -4.8512 -3.3752 -3.3729 -2.9143 -2.9118 -2.8528 -2.8517 -2.0830 -2.0827 -0.5691 -0.5671 -0.4119 -0.4089 -0.1478 -0.1461 0.2137 0.2181 0.4484 0.4523 0.7512 0.7533 0.8614 0.8652 1.4015 1.4035 1.5007 1.5050 1.7344 1.7358 2.2452 2.2455 2.4774 2.4783 10.7976 10.7983 11.5340 11.5352 12.1997 12.2061 12.3362 12.3405 13.0563 13.0600 k = 0.5000 0.2887 0.0303 ( 4146 PWs) bands (ev): -16.4287 -16.4286 -15.9534 -15.9534 -15.3422 -15.3417 -14.8054 -14.8050 -14.7689 -14.7687 -14.7464 -14.7459 -5.8627 -5.8624 -4.8529 -4.8527 -3.3625 -3.3609 -2.9125 -2.9102 -2.8670 -2.8658 -2.0781 -2.0779 -0.5669 -0.5655 -0.4055 -0.4034 -0.1544 -0.1532 0.2223 0.2257 0.4354 0.4384 0.7586 0.7603 0.8520 0.8549 1.4086 1.4103 1.4923 1.4956 1.7349 1.7357 2.2491 2.2493 2.4799 2.4806 10.7909 10.7914 11.5318 11.5325 12.2186 12.2246 12.3106 12.3153 13.0583 13.0606 k = 0.5000 0.2887 0.0152 ( 4136 PWs) bands (ev): -16.4292 -16.4291 -15.9537 -15.9537 -15.3410 -15.3408 -14.8054 -14.8052 -14.7686 -14.7684 -14.7465 -14.7462 -5.8638 -5.8636 -4.8538 -4.8537 -3.3543 -3.3535 -2.9101 -2.9086 -2.8767 -2.8757 -2.0752 -2.0751 -0.5655 -0.5648 -0.4013 -0.4002 -0.1584 -0.1579 0.2287 0.2305 0.4273 0.4289 0.7641 0.7651 0.8459 0.8475 1.4141 1.4151 1.4866 1.4885 1.7353 1.7357 2.2515 2.2516 2.4815 2.4819 10.7870 10.7872 11.5305 11.5309 12.2389 12.2444 12.2865 12.2913 13.0596 13.0607 k = 0.5000 0.2887-0.0000 ( 4132 PWs) bands (ev): -16.4293 -16.4293 -15.9538 -15.9538 -15.3406 -15.3406 -14.8054 -14.8054 -14.7684 -14.7684 -14.7464 -14.7464 -5.8641 -5.8641 -4.8540 -4.8540 -3.3513 -3.3513 -2.9083 -2.9083 -2.8799 -2.8799 -2.0742 -2.0742 -0.5648 -0.5648 -0.3994 -0.3994 -0.1596 -0.1596 0.2316 0.2316 0.4250 0.4250 0.7665 0.7665 0.8443 0.8443 1.4166 1.4166 1.4852 1.4852 1.7356 1.7356 2.2523 2.2523 2.4822 2.4822 10.7857 10.7857 11.5302 11.5302 12.2573 12.2573 12.2719 12.2719 13.0604 13.0604 k = 0.3333 0.5774-0.0000 ( 4206 PWs) bands (ev): -16.1861 -16.1848 -16.1847 -16.1847 -15.3768 -15.3768 -14.8021 -14.8021 -14.7593 -14.7593 -14.7565 -14.7560 -5.9262 -5.9262 -4.1838 -4.1799 -4.1778 -4.1778 -2.7901 -2.7875 -2.7875 -2.7858 -1.9816 -1.9816 -0.4339 -0.4224 -0.4224 -0.4176 -0.3563 -0.3563 0.4565 0.4595 0.4620 0.4620 0.6133 0.6133 0.8021 0.8021 1.2839 1.2902 1.2902 1.2919 2.0796 2.0796 2.0893 2.0903 2.5198 2.5198 11.4483 11.4533 11.4553 11.4553 11.9581 11.9581 12.9024 12.9024 13.0681 13.0684 k = 0.3333 0.5774 0.0152 ( 4200 PWs) bands (ev): -16.1962 -16.1954 -16.1743 -16.1736 -15.3773 -15.3771 -14.8021 -14.8020 -14.7619 -14.7590 -14.7567 -14.7537 -5.9253 -5.9251 -4.1984 -4.1944 -4.1666 -4.1625 -2.7996 -2.7988 -2.7754 -2.7752 -1.9828 -1.9828 -0.4430 -0.4380 -0.4094 -0.4077 -0.3563 -0.3554 0.4495 0.4535 0.4679 0.4718 0.6111 0.6112 0.8052 0.8058 1.2741 1.2772 1.3022 1.3038 2.0763 2.0819 2.0866 2.0922 2.5188 2.5188 11.4431 11.4480 11.4600 11.4641 11.9588 11.9592 12.9021 12.9022 13.0568 13.0569 k = 0.3333 0.5774 0.0303 ( 4206 PWs) bands (ev): -16.2065 -16.2057 -16.1626 -16.1620 -15.3786 -15.3782 -14.8022 -14.8019 -14.7647 -14.7618 -14.7544 -14.7514 -5.9223 -5.9220 -4.2161 -4.2124 -4.1527 -4.1484 -2.8099 -2.8090 -2.7623 -2.7621 -1.9866 -1.9866 -0.4579 -0.4542 -0.3971 -0.3940 -0.3554 -0.3535 0.4427 0.4465 0.4789 0.4828 0.6051 0.6052 0.8147 0.8157 1.2618 1.2648 1.3160 1.3177 2.0723 2.0826 2.0834 2.0936 2.5158 2.5160 11.4374 11.4421 11.4701 11.4745 11.9613 11.9622 12.9011 12.9014 13.0412 13.0414 k = 0.3333 0.5774 0.0455 ( 4191 PWs) bands (ev): -16.2163 -16.2155 -16.1506 -16.1499 -15.3807 -15.3801 -14.8022 -14.8017 -14.7677 -14.7647 -14.7522 -14.7493 -5.9174 -5.9169 -4.2351 -4.2317 -4.1399 -4.1355 -2.8192 -2.8182 -2.7484 -2.7483 -1.9928 -1.9927 -0.4740 -0.4710 -0.3853 -0.3814 -0.3536 -0.3508 0.4377 0.4413 0.4908 0.4946 0.5964 0.5964 0.8294 0.8308 1.2501 1.2533 1.3303 1.3320 2.0676 2.0778 2.0840 2.0941 2.5110 2.5112 11.4331 11.4376 11.4820 11.4864 11.9657 11.9671 12.8995 12.9000 13.0226 13.0229 k = 0.3333 0.5774 0.0606 ( 4179 PWs) bands (ev): -16.2256 -16.2248 -16.1381 -16.1375 -15.3836 -15.3828 -14.8022 -14.8016 -14.7707 -14.7678 -14.7503 -14.7473 -5.9104 -5.9098 -4.2556 -4.2524 -4.1282 -4.1237 -2.8274 -2.8262 -2.7338 -2.7338 -2.0014 -2.0013 -0.4907 -0.4882 -0.3746 -0.3699 -0.3510 -0.3472 0.4344 0.4378 0.5034 0.5071 0.5859 0.5861 0.8481 0.8499 1.2395 1.2427 1.3448 1.3464 2.0622 2.0723 2.0836 2.0937 2.5043 2.5045 11.4300 11.4345 11.4954 11.4998 11.9719 11.9737 12.8973 12.8980 13.0018 13.0023 k = 0.3333 0.5774 0.0758 ( 4173 PWs) bands (ev): -16.2346 -16.2338 -16.1251 -16.1246 -15.3872 -15.3862 -14.8022 -14.8014 -14.7739 -14.7710 -14.7485 -14.7456 -5.9014 -5.9008 -4.2774 -4.2745 -4.1176 -4.1130 -2.8344 -2.8330 -2.7187 -2.7187 -2.0122 -2.0122 -0.5078 -0.5057 -0.3650 -0.3597 -0.3476 -0.3430 0.4330 0.4361 0.5165 0.5199 0.5748 0.5753 0.8700 0.8720 1.2299 1.2334 1.3595 1.3609 2.0560 2.0661 2.0821 2.0921 2.4956 2.4960 11.4283 11.4327 11.5106 11.5149 11.9799 11.9822 12.8946 12.8954 12.9796 12.9804 k = 0.3333 0.5774 0.0909 ( 4167 PWs) bands (ev): -16.2431 -16.2423 -16.1117 -16.1112 -15.3917 -15.3905 -14.8021 -14.8012 -14.7771 -14.7743 -14.7469 -14.7441 -5.8905 -5.8897 -4.3007 -4.2981 -4.1079 -4.1033 -2.8402 -2.8386 -2.7033 -2.7031 -2.0252 -2.0252 -0.5251 -0.5233 -0.3566 -0.3507 -0.3436 -0.3382 0.4335 0.4362 0.5296 0.5326 0.5637 0.5646 0.8942 0.8964 1.2219 1.2256 1.3742 1.3754 2.0493 2.0592 2.0796 2.0895 2.4852 2.4856 11.4279 11.4322 11.5273 11.5317 11.9896 11.9924 12.8914 12.8921 12.9566 12.9577 k = 0.3333 0.5774 0.1061 ( 4170 PWs) bands (ev): -16.2511 -16.2503 -16.0979 -16.0974 -15.3970 -15.3956 -14.8020 -14.8009 -14.7804 -14.7776 -14.7456 -14.7428 -5.8777 -5.8768 -4.3254 -4.3230 -4.0991 -4.0945 -2.8447 -2.8429 -2.6875 -2.6873 -2.0403 -2.0403 -0.5424 -0.5408 -0.3495 -0.3429 -0.3392 -0.3329 0.4357 0.4381 0.5425 0.5440 0.5530 0.5555 0.9202 0.9226 1.2155 1.2194 1.3889 1.3900 2.0419 2.0518 2.0760 2.0858 2.4730 2.4735 11.4286 11.4328 11.5458 11.5501 12.0011 12.0042 12.8876 12.8882 12.9334 12.9347 k = 0.3333 0.5774 0.1213 ( 4161 PWs) bands (ev): -16.2588 -16.2580 -16.0837 -16.0833 -15.4030 -15.4015 -14.8018 -14.8006 -14.7837 -14.7811 -14.7444 -14.7417 -5.8630 -5.8619 -4.3514 -4.3494 -4.0912 -4.0866 -2.8478 -2.8458 -2.6715 -2.6713 -2.0573 -2.0572 -0.5595 -0.5582 -0.3435 -0.3364 -0.3345 -0.3273 0.4397 0.4417 0.5430 0.5432 0.5548 0.5589 0.9478 0.9503 1.2110 1.2152 1.4035 1.4045 2.0341 2.0438 2.0713 2.0810 2.4591 2.4596 11.4306 11.4347 11.5660 11.5702 12.0142 12.0178 12.8832 12.8833 12.9108 12.9118 k = 0.3333 0.5774 0.1364 ( 4161 PWs) bands (ev): -16.2660 -16.2652 -16.0691 -16.0687 -15.4098 -15.4082 -14.8015 -14.8002 -14.7871 -14.7845 -14.7435 -14.7408 -5.8464 -5.8452 -4.3788 -4.3771 -4.0840 -4.0794 -2.8497 -2.8475 -2.6554 -2.6551 -2.0759 -2.0758 -0.5764 -0.5752 -0.3386 -0.3309 -0.3295 -0.3216 0.4452 0.4469 0.5344 0.5352 0.5664 0.5694 0.9765 0.9792 1.2087 1.2132 1.4182 1.4189 2.0257 2.0352 2.0654 2.0750 2.4435 2.4441 11.4336 11.4376 11.5879 11.5921 12.0289 12.0329 12.8755 12.8785 12.8892 12.8908 k = 0.3333 0.5774 0.1516 ( 4155 PWs) bands (ev): -16.2728 -16.2720 -16.0540 -16.0537 -15.4174 -15.4157 -14.8011 -14.7997 -14.7905 -14.7880 -14.7428 -14.7402 -5.8280 -5.8267 -4.4076 -4.4062 -4.0775 -4.0730 -2.8502 -2.8478 -2.6393 -2.6391 -2.0962 -2.0960 -0.5929 -0.5919 -0.3347 -0.3264 -0.3245 -0.3159 0.4521 0.4534 0.5268 0.5280 0.5767 0.5793 1.0062 1.0090 1.2087 1.2136 1.4327 1.4333 2.0168 2.0261 2.0584 2.0678 2.4263 2.4270 11.4376 11.4415 11.6115 11.6157 12.0451 12.0495 12.8597 12.8672 12.8733 12.8789 k = 0.3333 0.5774 0.1667 ( 4161 PWs) bands (ev): -16.2792 -16.2784 -16.0386 -16.0383 -15.4258 -15.4239 -14.8007 -14.7991 -14.7938 -14.7914 -14.7423 -14.7398 -5.8078 -5.8063 -4.4377 -4.4366 -4.0717 -4.0673 -2.8494 -2.8468 -2.6234 -2.6231 -2.1178 -2.1176 -0.6090 -0.6081 -0.3317 -0.3229 -0.3196 -0.3103 0.4602 0.4611 0.5205 0.5220 0.5857 0.5878 1.0367 1.0396 1.2113 1.2165 1.4472 1.4477 2.0074 2.0166 2.0501 2.0594 2.4076 2.4084 11.4426 11.4463 11.6369 11.6410 12.0627 12.0675 12.8394 12.8459 12.8676 12.8717 k = 0.3333 0.5774 0.1819 ( 4161 PWs) bands (ev): -16.2852 -16.2844 -16.0228 -16.0226 -15.4349 -15.4330 -14.8003 -14.7985 -14.7969 -14.7949 -14.7421 -14.7396 -5.7859 -5.7843 -4.4690 -4.4682 -4.0665 -4.0622 -2.8473 -2.8445 -2.6077 -2.6074 -2.1407 -2.1404 -0.6244 -0.6236 -0.3295 -0.3201 -0.3150 -0.3049 0.4692 0.4697 0.5155 0.5173 0.5932 0.5949 1.0679 1.0708 1.2166 1.2221 1.4617 1.4619 1.9977 2.0066 2.0406 2.0498 2.3875 2.3883 11.4484 11.4520 11.6641 11.6682 12.0817 12.0869 12.8189 12.8254 12.8614 12.8651 k = 0.3333 0.5774 0.1970 ( 4155 PWs) bands (ev): -16.2908 -16.2900 -16.0067 -16.0065 -15.4447 -15.4427 -14.8012 -14.7985 -14.7983 -14.7977 -14.7420 -14.7397 -5.7623 -5.7606 -4.5016 -4.5011 -4.0618 -4.0576 -2.8438 -2.8409 -2.5923 -2.5921 -2.1647 -2.1642 -0.6392 -0.6385 -0.3278 -0.3179 -0.3106 -0.2999 0.4790 0.4790 0.5120 0.5139 0.5990 0.6003 1.0995 1.1025 1.2247 1.2304 1.4762 1.4762 1.9875 1.9962 2.0299 2.0389 2.3660 2.3670 11.4550 11.4584 11.6930 11.6971 12.1018 12.1074 12.7991 12.8059 12.8548 12.8582 k = 0.3333 0.5774 0.2122 ( 4158 PWs) bands (ev): -16.2960 -16.2953 -15.9902 -15.9901 -15.4553 -15.4532 -14.8041 -14.8016 -14.7980 -14.7968 -14.7422 -14.7400 -5.7371 -5.7353 -4.5353 -4.5351 -4.0575 -4.0536 -2.8390 -2.8360 -2.5774 -2.5772 -2.1895 -2.1889 -0.6532 -0.6526 -0.3266 -0.3163 -0.3067 -0.2954 0.4887 0.4892 0.5099 0.5118 0.6031 0.6040 1.1315 1.1345 1.2354 1.2414 1.4905 1.4906 1.9770 1.9854 2.0180 2.0268 2.3434 2.3444 11.4621 11.4654 11.7237 11.7277 12.1230 12.1289 12.7801 12.7874 12.8476 12.8510 k = 0.3333 0.5774 0.2274 ( 4173 PWs) bands (ev): -16.3008 -16.3001 -15.9734 -15.9734 -15.4666 -15.4645 -14.8071 -14.8048 -14.7971 -14.7958 -14.7426 -14.7405 -5.7103 -5.7084 -4.5701 -4.5701 -4.0538 -4.0500 -2.8330 -2.8298 -2.5630 -2.5628 -2.2151 -2.2143 -0.6664 -0.6659 -0.3258 -0.3150 -0.3032 -0.2915 0.4979 0.4997 0.5097 0.5109 0.6055 0.6062 1.1637 1.1668 1.2488 1.2550 1.5047 1.5050 1.9661 1.9743 2.0048 2.0135 2.3196 2.3207 11.4698 11.4729 11.7561 11.7600 12.1451 12.1513 12.7622 12.7699 12.8399 12.8432 k = 0.3333 0.5774 0.2425 ( 4161 PWs) bands (ev): -16.3053 -16.3046 -15.9563 -15.9562 -15.4785 -15.4764 -14.8101 -14.8080 -14.7959 -14.7947 -14.7432 -14.7412 -5.6820 -5.6801 -4.6062 -4.6059 -4.0504 -4.0468 -2.8256 -2.8224 -2.5492 -2.5491 -2.2412 -2.2403 -0.6788 -0.6784 -0.3252 -0.3140 -0.3004 -0.2881 0.5048 0.5102 0.5113 0.5133 0.6065 0.6068 1.1960 1.1991 1.2647 1.2711 1.5190 1.5195 1.9550 1.9629 1.9905 1.9991 2.2948 2.2960 11.4780 11.4808 11.7901 11.7941 12.1679 12.1744 12.7452 12.7535 12.8317 12.8349 k = 0.3333 0.5774 0.2577 ( 4161 PWs) bands (ev): -16.3094 -16.3088 -15.9390 -15.9388 -15.4911 -15.4890 -14.8130 -14.8110 -14.7947 -14.7934 -14.7440 -14.7421 -5.6523 -5.6503 -4.6432 -4.6426 -4.0474 -4.0440 -2.8171 -2.8137 -2.5362 -2.5360 -2.2678 -2.2668 -0.6903 -0.6899 -0.3247 -0.3132 -0.2980 -0.2854 0.5080 0.5128 0.5204 0.5213 0.6060 0.6062 1.2283 1.2314 1.2828 1.2894 1.5333 1.5340 1.9437 1.9513 1.9751 1.9835 2.2691 2.2704 11.4863 11.4890 11.8258 11.8298 12.1912 12.1979 12.7294 12.7383 12.8228 12.8259 k = 0.3333 0.5774 0.2728 ( 4149 PWs) bands (ev): -16.3132 -16.3126 -15.9215 -15.9212 -15.5044 -15.5023 -14.8157 -14.8139 -14.7932 -14.7920 -14.7450 -14.7432 -5.6213 -5.6192 -4.6810 -4.6802 -4.0447 -4.0415 -2.8072 -2.8038 -2.5238 -2.5237 -2.2948 -2.2936 -0.7009 -0.7006 -0.3243 -0.3124 -0.2963 -0.2833 0.5109 0.5153 0.5302 0.5304 0.6045 0.6045 1.2604 1.2635 1.3029 1.3096 1.5475 1.5484 1.9323 1.9396 1.9585 1.9667 2.2427 2.2441 11.4949 11.4974 11.8630 11.8670 12.2148 12.2217 12.7147 12.7241 12.8132 12.8161 k = 0.3333 0.5774 0.2880 ( 4152 PWs) bands (ev): -16.3166 -16.3161 -15.9037 -15.9033 -15.5183 -15.5162 -14.8183 -14.8167 -14.7916 -14.7905 -14.7461 -14.7445 -5.5890 -5.5868 -4.7196 -4.7186 -4.0423 -4.0393 -2.7962 -2.7927 -2.5123 -2.5122 -2.3219 -2.3205 -0.7106 -0.7103 -0.3238 -0.3116 -0.2951 -0.2818 0.5144 0.5187 0.5391 0.5394 0.6019 0.6021 1.2922 1.2954 1.3248 1.3316 1.5616 1.5626 1.9210 1.9280 1.9408 1.9489 2.2156 2.2171 11.5034 11.5057 11.9017 11.9056 12.2382 12.2453 12.7010 12.7110 12.8027 12.8054 k = 0.3333 0.5774 0.3032 ( 4170 PWs) bands (ev): -16.3197 -16.3192 -15.8857 -15.8852 -15.5327 -15.5306 -14.8208 -14.8192 -14.7899 -14.7889 -14.7475 -14.7460 -5.5554 -5.5532 -4.7589 -4.7577 -4.0402 -4.0374 -2.7841 -2.7805 -2.5017 -2.5016 -2.3491 -2.3476 -0.7193 -0.7191 -0.3233 -0.3108 -0.2946 -0.2809 0.5186 0.5229 0.5472 0.5478 0.5986 0.5990 1.3237 1.3269 1.3480 1.3549 1.5753 1.5765 1.9099 1.9167 1.9222 1.9301 2.1881 2.1897 11.5117 11.5138 11.9416 11.9456 12.2613 12.2683 12.6884 12.6990 12.7912 12.7935 k = 0.3333 0.5774 0.3183 ( 4161 PWs) bands (ev): -16.3225 -16.3220 -15.8675 -15.8669 -15.5477 -15.5457 -14.8230 -14.8216 -14.7881 -14.7871 -14.7490 -14.7476 -5.5207 -5.5184 -4.7989 -4.7975 -4.0383 -4.0358 -2.7707 -2.7672 -2.4920 -2.4919 -2.3763 -2.3746 -0.7272 -0.7270 -0.3226 -0.3099 -0.2945 -0.2806 0.5234 0.5277 0.5544 0.5553 0.5950 0.5954 1.3547 1.3578 1.3723 1.3792 1.5885 1.5898 1.8995 1.9028 1.9058 1.9106 2.1602 2.1619 11.5198 11.5217 11.9826 11.9866 12.2835 12.2905 12.6769 12.6881 12.7785 12.7803 k = 0.3333 0.5774 0.3335 ( 4167 PWs) bands (ev): -16.3250 -16.3245 -15.8491 -15.8485 -15.5632 -15.5612 -14.8250 -14.8238 -14.7861 -14.7852 -14.7506 -14.7494 -5.4850 -5.4826 -4.8393 -4.8377 -4.0367 -4.0344 -2.7563 -2.7527 -2.4832 -2.4831 -2.4033 -2.4014 -0.7341 -0.7339 -0.3217 -0.3088 -0.2949 -0.2808 0.5287 0.5329 0.5607 0.5618 0.5911 0.5917 1.3850 1.3881 1.3974 1.4044 1.6005 1.6021 1.8826 1.8899 1.8902 1.8965 2.1322 2.1340 11.5275 11.5292 12.0245 12.0285 12.3045 12.3113 12.6665 12.6782 12.7645 12.7656 k = 0.3333 0.5774 0.3486 ( 4161 PWs) bands (ev): -16.3271 -16.3267 -15.8307 -15.8300 -15.5791 -15.5772 -14.8269 -14.8257 -14.7840 -14.7833 -14.7524 -14.7514 -5.4483 -5.4459 -4.8802 -4.8785 -4.0352 -4.0333 -2.7408 -2.7372 -2.4754 -2.4753 -2.4300 -2.4281 -0.7401 -0.7400 -0.3207 -0.3075 -0.2957 -0.2815 0.5343 0.5385 0.5658 0.5671 0.5873 0.5879 1.4146 1.4175 1.4229 1.4299 1.6110 1.6128 1.8619 1.8690 1.8825 1.8884 2.1042 2.1061 11.5346 11.5361 12.0669 12.0710 12.3236 12.3300 12.6571 12.6693 12.7491 12.7493 k = 0.3333 0.5774 0.3638 ( 4152 PWs) bands (ev): -16.3290 -16.3286 -15.8121 -15.8113 -15.5955 -15.5937 -14.8284 -14.8275 -14.7818 -14.7812 -14.7542 -14.7534 -5.4107 -5.4082 -4.9214 -4.9196 -4.0340 -4.0323 -2.7242 -2.7206 -2.4689 -2.4685 -2.4562 -2.4544 -0.7453 -0.7452 -0.3195 -0.3061 -0.2969 -0.2826 0.5400 0.5442 0.5698 0.5712 0.5836 0.5844 1.4432 1.4460 1.4484 1.4554 1.6191 1.6211 1.8409 1.8478 1.8773 1.8828 2.0763 2.0784 11.5411 11.5424 12.1095 12.1136 12.3402 12.3460 12.6488 12.6615 12.7316 12.7324 k = 0.3333 0.5774 0.3789 ( 4158 PWs) bands (ev): -16.3305 -16.3302 -15.7935 -15.7926 -15.6123 -15.6105 -14.8298 -14.8290 -14.7796 -14.7791 -14.7562 -14.7556 -5.3723 -5.3698 -4.9629 -4.9609 -4.0329 -4.0315 -2.7065 -2.7030 -2.4828 -2.4802 -2.4627 -2.4625 -0.7496 -0.7495 -0.3180 -0.3045 -0.2984 -0.2840 0.5458 0.5499 0.5727 0.5739 0.5803 0.5813 1.4707 1.4732 1.4734 1.4806 1.6240 1.6261 1.8201 1.8265 1.8753 1.8804 2.0489 2.0511 11.5468 11.5479 12.1517 12.1559 12.3534 12.3583 12.6417 12.6549 12.7128 12.7149 k = 0.3333 0.5774 0.3941 ( 4158 PWs) bands (ev): -16.3318 -16.3315 -15.7749 -15.7739 -15.6295 -15.6278 -14.8309 -14.8303 -14.7772 -14.7770 -14.7583 -14.7578 -5.3331 -5.3307 -5.0046 -5.0025 -4.0321 -4.0309 -2.6879 -2.6845 -2.5083 -2.5057 -2.4580 -2.4579 -0.7531 -0.7530 -0.3164 -0.3027 -0.3002 -0.2857 0.5513 0.5554 0.5744 0.5748 0.5773 0.5793 1.4970 1.4972 1.4987 1.5048 1.6249 1.6272 1.8000 1.8059 1.8773 1.8821 2.0222 2.0244 11.5516 11.5525 12.1930 12.1971 12.3622 12.3658 12.6359 12.6495 12.6936 12.6972 k = 0.3333 0.5774 0.4093 ( 4164 PWs) bands (ev): -16.3327 -16.3326 -15.7563 -15.7552 -15.6470 -15.6453 -14.8317 -14.8313 -14.7748 -14.7748 -14.7604 -14.7602 -5.2934 -5.2909 -5.0463 -5.0441 -4.0314 -4.0305 -2.6684 -2.6650 -2.5332 -2.5305 -2.4543 -2.4542 -0.7558 -0.7558 -0.3146 -0.3021 -0.3009 -0.2876 0.5566 0.5605 0.5739 0.5749 0.5750 0.5784 1.5189 1.5215 1.5218 1.5278 1.6214 1.6239 1.7817 1.7868 1.8837 1.8881 1.9964 1.9987 11.5554 11.5561 12.2325 12.2365 12.3654 12.3676 12.6318 12.6456 12.6752 12.6805 k = 0.3333 0.5774 0.4244 ( 4164 PWs) bands (ev): -16.3334 -16.3333 -15.7378 -15.7366 -15.6647 -15.6632 -14.8323 -14.8320 -14.7727 -14.7724 -14.7625 -14.7624 -5.2531 -5.2506 -5.0880 -5.0858 -4.0308 -4.0302 -2.6479 -2.6446 -2.5576 -2.5548 -2.4516 -2.4516 -0.7577 -0.7577 -0.3127 -0.3042 -0.2989 -0.2895 0.5613 0.5652 0.5725 0.5734 0.5744 0.5775 1.5371 1.5397 1.5447 1.5499 1.6135 1.6161 1.7665 1.7704 1.8945 1.8986 1.9719 1.9743 11.5583 11.5587 12.2692 12.2729 12.3618 12.3623 12.6298 12.6436 12.6590 12.6661 k = 0.3333 0.5774 0.4396 ( 4170 PWs) bands (ev): -16.3338 -16.3338 -15.7193 -15.7180 -15.6827 -15.6813 -14.8326 -14.8325 -14.7708 -14.7699 -14.7650 -14.7643 -5.2123 -5.2098 -5.1296 -5.1273 -4.0304 -4.0301 -2.6265 -2.6233 -2.5813 -2.5784 -2.4500 -2.4500 -0.7589 -0.7588 -0.3106 -0.3063 -0.2970 -0.2915 0.5651 0.5689 0.5715 0.5726 0.5731 0.5759 1.5498 1.5515 1.5653 1.5704 1.6019 1.6042 1.7565 1.7587 1.9089 1.9131 1.9492 1.9515 11.5600 11.5602 12.3018 12.3048 12.3495 12.3506 12.6303 12.6440 12.6466 12.6549 k = 0.3333 0.5774 0.4547 ( 4158 PWs) bands (ev): -16.3339 -16.3339 -15.7022 -15.6997 -15.6995 -15.6995 -14.8327 -14.8327 -14.7698 -14.7674 -14.7674 -14.7653 -5.1734 -5.1687 -5.1687 -5.1687 -4.0302 -4.0302 -2.6043 -2.6043 -2.6017 -2.6008 -2.4495 -2.4495 -0.7592 -0.7592 -0.3085 -0.3085 -0.2958 -0.2926 0.5670 0.5708 0.5708 0.5721 0.5738 0.5738 1.5550 1.5550 1.5787 1.5887 1.5887 1.5914 1.7537 1.7537 1.9226 1.9309 1.9309 1.9329 11.5607 11.5607 12.3283 12.3290 12.3290 12.3343 12.6318 12.6409 12.6477 12.6477 Writing output data file SiO2.save init_run : 0.31s CPU 0.94s WALL ( 1 calls) electrons : 655.27s CPU 661.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.04s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 655.26s CPU 661.05s 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 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 303 calls) cegterg : 633.23s CPU 638.37s WALL ( 1130 calls) Called by sum_band: Called by *egterg: h_psi : 315.03s CPU 327.67s WALL ( 21999 calls) s_psi : 14.27s CPU 14.41s WALL ( 21999 calls) g_psi : 0.70s CPU 0.71s WALL ( 20566 calls) cdiaghg : 241.50s CPU 234.09s WALL ( 20869 calls) cegterg:over : 28.78s CPU 26.81s WALL ( 20566 calls) cegterg:upda : 10.46s CPU 16.33s WALL ( 20566 calls) cegterg:last : 8.50s CPU 9.53s WALL ( 2545 calls) Called by h_psi: h_psi:vloc : 286.69s CPU 297.55s WALL ( 21999 calls) h_psi:vnl : 28.04s CPU 29.39s WALL ( 21999 calls) add_vuspsi : 9.01s CPU 11.04s WALL ( 21999 calls) General routines calbec : 18.89s CPU 18.15s WALL ( 21999 calls) fft : 0.03s CPU 0.09s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 275.61s CPU 281.88s WALL ( 1750516 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.03s CPU 0.62s WALL ( 606 calls) Parallel routines fft_scatter : 185.89s CPU 165.99s WALL ( 1750539 calls) PWSCF : 11m22.74s CPU 11m57.64s WALL This run was terminated on: 0:45:52 28Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=