Program PWSCF v.5.1.1 starts on 28Jul2015 at 2: 8:55 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: ./GeO2.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 61 36 10 2515 1104 174 Max 62 37 12 2520 1127 177 Sum 1969 1159 337 80557 35717 5605 bravais-lattice index = 14 lattice parameter (alat) = 9.4205 a.u. unit-cell volume = 819.9310 (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)= 9.420473 celldm(2)= 1.000000 celldm(3)= 1.132475 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 1.132475 ) 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 0.883022 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 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 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) 2 Sym. Ops. (no inversion) found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 - cryst. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0033670 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0033670 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0033670 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0033670 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0033670 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0033670 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0033670 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0033670 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0033670 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0033670 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0033670 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0033670 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0033670 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0033670 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0033670 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0033670 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0033670 k( 43) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0033670 k( 44) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0033670 k( 45) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0033670 k( 47) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0033670 k( 48) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033670 k( 51) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0033670 k( 52) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0033670 k( 53) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0033670 k( 54) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0033670 k( 55) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0033670 k( 56) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0033670 k( 57) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0033670 k( 58) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0033670 k( 59) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 63) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0033670 k( 65) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0033670 k( 66) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0033670 k( 67) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0033670 k( 68) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0033670 k( 69) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0033670 k( 70) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0033670 k( 71) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0033670 k( 72) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0033670 k( 73) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0033670 k( 74) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0033670 k( 77) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0033670 k( 78) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0033670 k( 79) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0033670 k( 80) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0033670 k( 81) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0033670 k( 82) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0033670 k( 83) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0033670 k( 84) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0033670 k( 85) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0033670 k( 86) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0033670 k( 87) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0033670 k( 88) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0033670 k( 89) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0033670 k( 90) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0033670 k( 91) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0033670 k( 92) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0033670 k( 93) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0033670 k( 94) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0033670 k( 95) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0033670 k( 96) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0033670 k( 97) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0033670 k( 98) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0033670 k( 99) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0033670 k( 100) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0033670 k( 101) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0033670 k( 102) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0033670 k( 103) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0033670 k( 104) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0033670 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 107) = ( 0.0000000 0.0000000 0.0157682), wk = 0.0033670 k( 108) = ( 0.0000000 0.0000000 0.0315365), wk = 0.0033670 k( 109) = ( 0.0000000 0.0000000 0.0473047), wk = 0.0033670 k( 110) = ( 0.0000000 0.0000000 0.0630730), wk = 0.0033670 k( 111) = ( 0.0000000 0.0000000 0.0788412), wk = 0.0033670 k( 112) = ( 0.0000000 0.0000000 0.0946095), wk = 0.0033670 k( 113) = ( 0.0000000 0.0000000 0.1103777), wk = 0.0033670 k( 114) = ( 0.0000000 0.0000000 0.1261460), wk = 0.0033670 k( 115) = ( 0.0000000 0.0000000 0.1419142), wk = 0.0033670 k( 116) = ( 0.0000000 0.0000000 0.1576825), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.1734507), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.1892190), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.2049872), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.2207555), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.2365237), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.2522920), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.2680602), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.2838285), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.2995967), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.3153650), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.3311332), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.3469014), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.3626697), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.3784379), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.3942062), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.4099744), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.4257427), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.4415109), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.4415109), wk = 0.0033670 k( 136) = ( 0.0135135 0.0078020 0.4415109), wk = 0.0033670 k( 137) = ( 0.0270270 0.0156041 0.4415109), wk = 0.0033670 k( 138) = ( 0.0405405 0.0234061 0.4415109), wk = 0.0033670 k( 139) = ( 0.0540540 0.0312081 0.4415109), wk = 0.0033670 k( 140) = ( 0.0675676 0.0390102 0.4415109), wk = 0.0033670 k( 141) = ( 0.0810811 0.0468122 0.4415109), wk = 0.0033670 k( 142) = ( 0.0945946 0.0546142 0.4415109), wk = 0.0033670 k( 143) = ( 0.1081081 0.0624162 0.4415109), wk = 0.0033670 k( 144) = ( 0.1216216 0.0702183 0.4415109), wk = 0.0033670 k( 145) = ( 0.1351351 0.0780203 0.4415109), wk = 0.0033670 k( 146) = ( 0.1486486 0.0858223 0.4415109), wk = 0.0033670 k( 147) = ( 0.1621622 0.0936244 0.4415109), wk = 0.0033670 k( 148) = ( 0.1756757 0.1014264 0.4415109), wk = 0.0033670 k( 149) = ( 0.1891892 0.1092284 0.4415109), wk = 0.0033670 k( 150) = ( 0.2027027 0.1170305 0.4415109), wk = 0.0033670 k( 151) = ( 0.2162162 0.1248325 0.4415109), wk = 0.0033670 k( 152) = ( 0.2297297 0.1326345 0.4415109), wk = 0.0033670 k( 153) = ( 0.2432432 0.1404366 0.4415109), wk = 0.0033670 k( 154) = ( 0.2567568 0.1482386 0.4415109), wk = 0.0033670 k( 155) = ( 0.2702703 0.1560406 0.4415109), wk = 0.0033670 k( 156) = ( 0.2837838 0.1638426 0.4415109), wk = 0.0033670 k( 157) = ( 0.2972973 0.1716447 0.4415109), wk = 0.0033670 k( 158) = ( 0.3108108 0.1794467 0.4415109), wk = 0.0033670 k( 159) = ( 0.3243243 0.1872487 0.4415109), wk = 0.0033670 k( 160) = ( 0.3378378 0.1950508 0.4415109), wk = 0.0033670 k( 161) = ( 0.3513514 0.2028528 0.4415109), wk = 0.0033670 k( 162) = ( 0.3648649 0.2106548 0.4415109), wk = 0.0033670 k( 163) = ( 0.3783784 0.2184569 0.4415109), wk = 0.0033670 k( 164) = ( 0.3918919 0.2262589 0.4415109), wk = 0.0033670 k( 165) = ( 0.4054054 0.2340609 0.4415109), wk = 0.0033670 k( 166) = ( 0.4189189 0.2418630 0.4415109), wk = 0.0033670 k( 167) = ( 0.4324324 0.2496650 0.4415109), wk = 0.0033670 k( 168) = ( 0.4459459 0.2574670 0.4415109), wk = 0.0033670 k( 169) = ( 0.4594595 0.2652690 0.4415109), wk = 0.0033670 k( 170) = ( 0.4729730 0.2730711 0.4415109), wk = 0.0033670 k( 171) = ( 0.4864865 0.2808731 0.4415109), wk = 0.0033670 k( 172) = ( 0.5000000 0.2886751 0.4415109), wk = 0.0033670 k( 173) = ( 0.5000000 0.2886751 0.4415109), wk = 0.0033670 k( 174) = ( 0.4924242 0.3017967 0.4415109), wk = 0.0033670 k( 175) = ( 0.4848485 0.3149183 0.4415109), wk = 0.0033670 k( 176) = ( 0.4772727 0.3280399 0.4415109), wk = 0.0033670 k( 177) = ( 0.4696970 0.3411615 0.4415109), wk = 0.0033670 k( 178) = ( 0.4621212 0.3542831 0.4415109), wk = 0.0033670 k( 179) = ( 0.4545455 0.3674047 0.4415109), wk = 0.0033670 k( 180) = ( 0.4469697 0.3805263 0.4415109), wk = 0.0033670 k( 181) = ( 0.4393939 0.3936479 0.4415109), wk = 0.0033670 k( 182) = ( 0.4318182 0.4067695 0.4415109), wk = 0.0033670 k( 183) = ( 0.4242424 0.4198911 0.4415109), wk = 0.0033670 k( 184) = ( 0.4166667 0.4330127 0.4415109), wk = 0.0033670 k( 185) = ( 0.4090909 0.4461343 0.4415109), wk = 0.0033670 k( 186) = ( 0.4015151 0.4592559 0.4415109), wk = 0.0033670 k( 187) = ( 0.3939394 0.4723775 0.4415109), wk = 0.0033670 k( 188) = ( 0.3863636 0.4854991 0.4415109), wk = 0.0033670 k( 189) = ( 0.3787879 0.4986207 0.4415109), wk = 0.0033670 k( 190) = ( 0.3712121 0.5117423 0.4415109), wk = 0.0033670 k( 191) = ( 0.3636364 0.5248639 0.4415109), wk = 0.0033670 k( 192) = ( 0.3560606 0.5379855 0.4415109), wk = 0.0033670 k( 193) = ( 0.3484849 0.5511071 0.4415109), wk = 0.0033670 k( 194) = ( 0.3409091 0.5642287 0.4415109), wk = 0.0033670 k( 195) = ( 0.3333333 0.5773503 0.4415109), wk = 0.0033670 k( 196) = ( 0.3333333 0.5773503 0.4415109), wk = 0.0033670 k( 197) = ( 0.3255814 0.5639235 0.4415109), wk = 0.0033670 k( 198) = ( 0.3178295 0.5504968 0.4415109), wk = 0.0033670 k( 199) = ( 0.3100775 0.5370700 0.4415109), wk = 0.0033670 k( 200) = ( 0.3023256 0.5236433 0.4415109), wk = 0.0033670 k( 201) = ( 0.2945736 0.5102165 0.4415109), wk = 0.0033670 k( 202) = ( 0.2868217 0.4967898 0.4415109), wk = 0.0033670 k( 203) = ( 0.2790698 0.4833630 0.4415109), wk = 0.0033670 k( 204) = ( 0.2713178 0.4699363 0.4415109), wk = 0.0033670 k( 205) = ( 0.2635659 0.4565095 0.4415109), wk = 0.0033670 k( 206) = ( 0.2558140 0.4430828 0.4415109), wk = 0.0033670 k( 207) = ( 0.2480620 0.4296560 0.4415109), wk = 0.0033670 k( 208) = ( 0.2403101 0.4162293 0.4415109), wk = 0.0033670 k( 209) = ( 0.2325581 0.4028025 0.4415109), wk = 0.0033670 k( 210) = ( 0.2248062 0.3893758 0.4415109), wk = 0.0033670 k( 211) = ( 0.2170543 0.3759490 0.4415109), wk = 0.0033670 k( 212) = ( 0.2093023 0.3625223 0.4415109), wk = 0.0033670 k( 213) = ( 0.2015504 0.3490955 0.4415109), wk = 0.0033670 k( 214) = ( 0.1937985 0.3356688 0.4415109), wk = 0.0033670 k( 215) = ( 0.1860465 0.3222420 0.4415109), wk = 0.0033670 k( 216) = ( 0.1782946 0.3088153 0.4415109), wk = 0.0033670 k( 217) = ( 0.1705426 0.2953885 0.4415109), wk = 0.0033670 k( 218) = ( 0.1627907 0.2819618 0.4415109), wk = 0.0033670 k( 219) = ( 0.1550388 0.2685350 0.4415109), wk = 0.0033670 k( 220) = ( 0.1472868 0.2551083 0.4415109), wk = 0.0033670 k( 221) = ( 0.1395349 0.2416815 0.4415109), wk = 0.0033670 k( 222) = ( 0.1317830 0.2282548 0.4415109), wk = 0.0033670 k( 223) = ( 0.1240310 0.2148280 0.4415109), wk = 0.0033670 k( 224) = ( 0.1162791 0.2014013 0.4415109), wk = 0.0033670 k( 225) = ( 0.1085271 0.1879745 0.4415109), wk = 0.0033670 k( 226) = ( 0.1007752 0.1745477 0.4415109), wk = 0.0033670 k( 227) = ( 0.0930233 0.1611210 0.4415109), wk = 0.0033670 k( 228) = ( 0.0852713 0.1476943 0.4415109), wk = 0.0033670 k( 229) = ( 0.0775194 0.1342675 0.4415109), wk = 0.0033670 k( 230) = ( 0.0697674 0.1208408 0.4415109), wk = 0.0033670 k( 231) = ( 0.0620155 0.1074140 0.4415109), wk = 0.0033670 k( 232) = ( 0.0542636 0.0939873 0.4415109), wk = 0.0033670 k( 233) = ( 0.0465116 0.0805605 0.4415109), wk = 0.0033670 k( 234) = ( 0.0387597 0.0671338 0.4415109), wk = 0.0033670 k( 235) = ( 0.0310078 0.0537070 0.4415109), wk = 0.0033670 k( 236) = ( 0.0232558 0.0402802 0.4415109), wk = 0.0033670 k( 237) = ( 0.0155039 0.0268535 0.4415109), wk = 0.0033670 k( 238) = ( 0.0077519 0.0134268 0.4415109), wk = 0.0033670 k( 239) = ( 0.0000000 0.0000000 0.4415109), wk = 0.0033670 k( 240) = ( 0.5000000 0.2886751 0.4415109), wk = 0.0033670 k( 241) = ( 0.5000000 0.2886751 0.4257427), wk = 0.0033670 k( 242) = ( 0.5000000 0.2886751 0.4099744), wk = 0.0033670 k( 243) = ( 0.5000000 0.2886751 0.3942062), wk = 0.0033670 k( 244) = ( 0.5000000 0.2886751 0.3784379), wk = 0.0033670 k( 245) = ( 0.5000000 0.2886751 0.3626697), wk = 0.0033670 k( 246) = ( 0.5000000 0.2886751 0.3469014), wk = 0.0033670 k( 247) = ( 0.5000000 0.2886751 0.3311332), wk = 0.0033670 k( 248) = ( 0.5000000 0.2886751 0.3153650), wk = 0.0033670 k( 249) = ( 0.5000000 0.2886751 0.2995967), wk = 0.0033670 k( 250) = ( 0.5000000 0.2886751 0.2838285), wk = 0.0033670 k( 251) = ( 0.5000000 0.2886751 0.2680602), wk = 0.0033670 k( 252) = ( 0.5000000 0.2886751 0.2522920), wk = 0.0033670 k( 253) = ( 0.5000000 0.2886751 0.2365237), wk = 0.0033670 k( 254) = ( 0.5000000 0.2886751 0.2207555), wk = 0.0033670 k( 255) = ( 0.5000000 0.2886751 0.2049872), wk = 0.0033670 k( 256) = ( 0.5000000 0.2886751 0.1892190), wk = 0.0033670 k( 257) = ( 0.5000000 0.2886751 0.1734507), wk = 0.0033670 k( 258) = ( 0.5000000 0.2886751 0.1576825), wk = 0.0033670 k( 259) = ( 0.5000000 0.2886751 0.1419142), wk = 0.0033670 k( 260) = ( 0.5000000 0.2886751 0.1261460), wk = 0.0033670 k( 261) = ( 0.5000000 0.2886751 0.1103777), wk = 0.0033670 k( 262) = ( 0.5000000 0.2886751 0.0946095), wk = 0.0033670 k( 263) = ( 0.5000000 0.2886751 0.0788412), wk = 0.0033670 k( 264) = ( 0.5000000 0.2886751 0.0630730), wk = 0.0033670 k( 265) = ( 0.5000000 0.2886751 0.0473047), wk = 0.0033670 k( 266) = ( 0.5000000 0.2886751 0.0315365), wk = 0.0033670 k( 267) = ( 0.5000000 0.2886751 0.0157682), wk = 0.0033670 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 270) = ( 0.3333333 0.5773503 0.0157682), wk = 0.0033670 k( 271) = ( 0.3333333 0.5773503 0.0315365), wk = 0.0033670 k( 272) = ( 0.3333333 0.5773503 0.0473047), wk = 0.0033670 k( 273) = ( 0.3333333 0.5773503 0.0630730), wk = 0.0033670 k( 274) = ( 0.3333333 0.5773503 0.0788412), wk = 0.0033670 k( 275) = ( 0.3333333 0.5773503 0.0946095), wk = 0.0033670 k( 276) = ( 0.3333333 0.5773503 0.1103777), wk = 0.0033670 k( 277) = ( 0.3333333 0.5773503 0.1261460), wk = 0.0033670 k( 278) = ( 0.3333333 0.5773503 0.1419142), wk = 0.0033670 k( 279) = ( 0.3333333 0.5773503 0.1576825), wk = 0.0033670 k( 280) = ( 0.3333333 0.5773503 0.1734507), wk = 0.0033670 k( 281) = ( 0.3333333 0.5773503 0.1892190), wk = 0.0033670 k( 282) = ( 0.3333333 0.5773503 0.2049872), wk = 0.0033670 k( 283) = ( 0.3333333 0.5773503 0.2207555), wk = 0.0033670 k( 284) = ( 0.3333333 0.5773503 0.2365237), wk = 0.0033670 k( 285) = ( 0.3333333 0.5773503 0.2522920), wk = 0.0033670 k( 286) = ( 0.3333333 0.5773503 0.2680602), wk = 0.0033670 k( 287) = ( 0.3333333 0.5773503 0.2838285), wk = 0.0033670 k( 288) = ( 0.3333333 0.5773503 0.2995967), wk = 0.0033670 k( 289) = ( 0.3333333 0.5773503 0.3153650), wk = 0.0033670 k( 290) = ( 0.3333333 0.5773503 0.3311332), wk = 0.0033670 k( 291) = ( 0.3333333 0.5773503 0.3469014), wk = 0.0033670 k( 292) = ( 0.3333333 0.5773503 0.3626697), wk = 0.0033670 k( 293) = ( 0.3333333 0.5773503 0.3784379), wk = 0.0033670 k( 294) = ( 0.3333333 0.5773503 0.3942062), wk = 0.0033670 k( 295) = ( 0.3333333 0.5773503 0.4099744), wk = 0.0033670 k( 296) = ( 0.3333333 0.5773503 0.4257427), wk = 0.0033670 k( 297) = ( 0.3333333 0.5773503 0.4415109), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0135135 0.0000000 0.0000000), wk = 0.0033670 k( 3) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0033670 k( 4) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0033670 k( 5) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0033670 k( 6) = ( 0.0675676 0.0000000 0.0000000), wk = 0.0033670 k( 7) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0033670 k( 8) = ( 0.0945946 0.0000000 0.0000000), wk = 0.0033670 k( 9) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0033670 k( 10) = ( 0.1216216 0.0000000 0.0000000), wk = 0.0033670 k( 11) = ( 0.1351351 0.0000000 0.0000000), wk = 0.0033670 k( 12) = ( 0.1486486 0.0000000 0.0000000), wk = 0.0033670 k( 13) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0033670 k( 14) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0033670 k( 15) = ( 0.1891892 0.0000000 0.0000000), wk = 0.0033670 k( 16) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0033670 k( 17) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0033670 k( 18) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0033670 k( 19) = ( 0.2432432 0.0000000 0.0000000), wk = 0.0033670 k( 20) = ( 0.2567568 0.0000000 0.0000000), wk = 0.0033670 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0033670 k( 22) = ( 0.2837838 0.0000000 0.0000000), wk = 0.0033670 k( 23) = ( 0.2972973 0.0000000 0.0000000), wk = 0.0033670 k( 24) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0033670 k( 25) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0033670 k( 26) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0033670 k( 27) = ( 0.3513514 0.0000000 0.0000000), wk = 0.0033670 k( 28) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0033670 k( 29) = ( 0.3783784 0.0000000 0.0000000), wk = 0.0033670 k( 30) = ( 0.3918919 0.0000000 0.0000000), wk = 0.0033670 k( 31) = ( 0.4054054 0.0000000 0.0000000), wk = 0.0033670 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0033670 k( 33) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0033670 k( 34) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0033670 k( 35) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0033670 k( 36) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0033670 k( 37) = ( 0.4864865 0.0000000 0.0000000), wk = 0.0033670 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 40) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0033670 k( 41) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0033670 k( 42) = ( 0.4772727 0.0454546 0.0000000), wk = 0.0033670 k( 43) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0033670 k( 44) = ( 0.4621212 0.0757576 0.0000000), wk = 0.0033670 k( 45) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0033670 k( 46) = ( 0.4469697 0.1060606 0.0000000), wk = 0.0033670 k( 47) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0033670 k( 48) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0033670 k( 49) = ( 0.4242424 0.1515151 0.0000000), wk = 0.0033670 k( 50) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033670 k( 51) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0033670 k( 52) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0033670 k( 53) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0033670 k( 54) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0033670 k( 55) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0033670 k( 56) = ( 0.3712121 0.2575758 0.0000000), wk = 0.0033670 k( 57) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0033670 k( 58) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0033670 k( 59) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0033670 k( 60) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0033670 k( 61) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 63) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0033670 k( 64) = ( 0.3178295 0.3178295 0.0000000), wk = 0.0033670 k( 65) = ( 0.3100775 0.3100775 0.0000000), wk = 0.0033670 k( 66) = ( 0.3023256 0.3023256 0.0000000), wk = 0.0033670 k( 67) = ( 0.2945736 0.2945736 0.0000000), wk = 0.0033670 k( 68) = ( 0.2868217 0.2868217 -0.0000000), wk = 0.0033670 k( 69) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0033670 k( 70) = ( 0.2713178 0.2713178 0.0000000), wk = 0.0033670 k( 71) = ( 0.2635659 0.2635659 0.0000000), wk = 0.0033670 k( 72) = ( 0.2558140 0.2558140 0.0000000), wk = 0.0033670 k( 73) = ( 0.2480620 0.2480620 0.0000000), wk = 0.0033670 k( 74) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0033670 k( 76) = ( 0.2248062 0.2248062 0.0000000), wk = 0.0033670 k( 77) = ( 0.2170543 0.2170543 0.0000000), wk = 0.0033670 k( 78) = ( 0.2093023 0.2093023 0.0000000), wk = 0.0033670 k( 79) = ( 0.2015504 0.2015504 0.0000000), wk = 0.0033670 k( 80) = ( 0.1937985 0.1937985 0.0000000), wk = 0.0033670 k( 81) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0033670 k( 82) = ( 0.1782946 0.1782946 0.0000000), wk = 0.0033670 k( 83) = ( 0.1705426 0.1705426 0.0000000), wk = 0.0033670 k( 84) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0033670 k( 85) = ( 0.1550388 0.1550388 0.0000000), wk = 0.0033670 k( 86) = ( 0.1472868 0.1472868 0.0000000), wk = 0.0033670 k( 87) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0033670 k( 88) = ( 0.1317830 0.1317830 0.0000000), wk = 0.0033670 k( 89) = ( 0.1240310 0.1240310 0.0000000), wk = 0.0033670 k( 90) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0033670 k( 91) = ( 0.1085271 0.1085271 0.0000000), wk = 0.0033670 k( 92) = ( 0.1007752 0.1007752 -0.0000000), wk = 0.0033670 k( 93) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0033670 k( 94) = ( 0.0852713 0.0852713 0.0000000), wk = 0.0033670 k( 95) = ( 0.0775194 0.0775194 0.0000000), wk = 0.0033670 k( 96) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0033670 k( 97) = ( 0.0620155 0.0620155 0.0000000), wk = 0.0033670 k( 98) = ( 0.0542636 0.0542636 0.0000000), wk = 0.0033670 k( 99) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0033670 k( 100) = ( 0.0387597 0.0387597 0.0000000), wk = 0.0033670 k( 101) = ( 0.0310078 0.0310077 0.0000000), wk = 0.0033670 k( 102) = ( 0.0232558 0.0232558 0.0000000), wk = 0.0033670 k( 103) = ( 0.0155039 0.0155039 0.0000000), wk = 0.0033670 k( 104) = ( 0.0077519 0.0077519 0.0000000), wk = 0.0033670 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 107) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0033670 k( 108) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0033670 k( 109) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0033670 k( 110) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033670 k( 111) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0033670 k( 112) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0033670 k( 113) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033670 k( 114) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033670 k( 115) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0033670 k( 116) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 136) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0033670 k( 137) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0033670 k( 138) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0033670 k( 139) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0033670 k( 140) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0033670 k( 141) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0033670 k( 142) = ( 0.0945946 0.0000000 0.5000000), wk = 0.0033670 k( 143) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0033670 k( 144) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0033670 k( 145) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0033670 k( 146) = ( 0.1486486 0.0000000 0.5000000), wk = 0.0033670 k( 147) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0033670 k( 148) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0033670 k( 149) = ( 0.1891892 0.0000000 0.5000000), wk = 0.0033670 k( 150) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0033670 k( 151) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0033670 k( 152) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0033670 k( 153) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0033670 k( 154) = ( 0.2567568 0.0000000 0.5000000), wk = 0.0033670 k( 155) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0033670 k( 156) = ( 0.2837838 0.0000000 0.5000000), wk = 0.0033670 k( 157) = ( 0.2972973 0.0000000 0.5000000), wk = 0.0033670 k( 158) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0033670 k( 159) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0033670 k( 160) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0033670 k( 161) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0033670 k( 162) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0033670 k( 163) = ( 0.3783784 0.0000000 0.5000000), wk = 0.0033670 k( 164) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0033670 k( 165) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0033670 k( 166) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0033670 k( 167) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0033670 k( 168) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0033670 k( 169) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0033670 k( 170) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0033670 k( 171) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0033670 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 173) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 174) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0033670 k( 175) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0033670 k( 176) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0033670 k( 177) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0033670 k( 178) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0033670 k( 179) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0033670 k( 180) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0033670 k( 181) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0033670 k( 182) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0033670 k( 183) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0033670 k( 184) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033670 k( 185) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0033670 k( 186) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0033670 k( 187) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0033670 k( 188) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0033670 k( 189) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0033670 k( 190) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0033670 k( 191) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0033670 k( 192) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0033670 k( 193) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0033670 k( 194) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0033670 k( 195) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 196) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 197) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0033670 k( 198) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0033670 k( 199) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0033670 k( 200) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0033670 k( 201) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0033670 k( 202) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0033670 k( 203) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0033670 k( 204) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0033670 k( 205) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0033670 k( 206) = ( 0.2558140 0.2558140 0.5000000), wk = 0.0033670 k( 207) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0033670 k( 208) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0033670 k( 209) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0033670 k( 210) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0033670 k( 211) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0033670 k( 212) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0033670 k( 213) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0033670 k( 214) = ( 0.1937985 0.1937985 0.5000000), wk = 0.0033670 k( 215) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0033670 k( 216) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0033670 k( 217) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0033670 k( 218) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0033670 k( 219) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0033670 k( 220) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0033670 k( 221) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0033670 k( 222) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0033670 k( 223) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0033670 k( 224) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0033670 k( 225) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0033670 k( 226) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0033670 k( 227) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0033670 k( 228) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0033670 k( 229) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0033670 k( 230) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0033670 k( 231) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0033670 k( 232) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0033670 k( 233) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0033670 k( 234) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0033670 k( 235) = ( 0.0310078 0.0310077 0.5000000), wk = 0.0033670 k( 236) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0033670 k( 237) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0033670 k( 238) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0033670 k( 239) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 240) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 241) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0033670 k( 242) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0033670 k( 243) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0033670 k( 244) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0033670 k( 245) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0033670 k( 246) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0033670 k( 247) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033670 k( 248) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0033670 k( 249) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0033670 k( 250) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0033670 k( 251) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0033670 k( 252) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0033670 k( 253) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0033670 k( 254) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033670 k( 255) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0033670 k( 256) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0033670 k( 257) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0033670 k( 258) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0033670 k( 259) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0033670 k( 260) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0033670 k( 261) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033670 k( 262) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0033670 k( 263) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0033670 k( 264) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0033670 k( 265) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0033670 k( 266) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0033670 k( 267) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0033670 k( 268) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 269) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 270) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0033670 k( 271) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0033670 k( 272) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0033670 k( 273) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0033670 k( 274) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0033670 k( 275) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0033670 k( 276) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033670 k( 277) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0033670 k( 278) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0033670 k( 279) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0033670 k( 280) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0033670 k( 281) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0033670 k( 282) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0033670 k( 283) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033670 k( 284) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0033670 k( 285) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0033670 k( 286) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0033670 k( 287) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0033670 k( 288) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0033670 k( 289) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0033670 k( 290) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033670 k( 291) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0033670 k( 292) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0033670 k( 293) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0033670 k( 294) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0033670 k( 295) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0033670 k( 296) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0033670 k( 297) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 Dense grid: 80557 G-vectors FFT dimensions: ( 54, 54, 64) Smooth grid: 35717 G-vectors FFT dimensions: ( 45, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 300, 58) NL pseudopotentials 0.29 Mb ( 150, 126) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2517) G-vector shells 0.01 Mb ( 1113) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 300, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 Mb ( 126, 2, 58) The potential is recalculated from file : ./GeO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 8.3 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 11.0 secs Computing kpt #: 8 total cpu time spent up to now is 12.4 secs Computing kpt #: 9 total cpu time spent up to now is 13.8 secs Computing kpt #: 10 total cpu time spent up to now is 15.1 secs Computing kpt #: 11 total cpu time spent up to now is 16.4 secs Computing kpt #: 12 total cpu time spent up to now is 17.7 secs Computing kpt #: 13 total cpu time spent up to now is 19.1 secs Computing kpt #: 14 total cpu time spent up to now is 20.4 secs Computing kpt #: 15 total cpu time spent up to now is 21.7 secs Computing kpt #: 16 total cpu time spent up to now is 23.0 secs Computing kpt #: 17 total cpu time spent up to now is 24.4 secs Computing kpt #: 18 total cpu time spent up to now is 25.7 secs Computing kpt #: 19 total cpu time spent up to now is 27.0 secs Computing kpt #: 20 total cpu time spent up to now is 28.4 secs Computing kpt #: 21 total cpu time spent up to now is 29.8 secs Computing kpt #: 22 total cpu time spent up to now is 31.1 secs Computing kpt #: 23 total cpu time spent up to now is 32.5 secs Computing kpt #: 24 total cpu time spent up to now is 33.9 secs Computing kpt #: 25 total cpu time spent up to now is 35.4 secs Computing kpt #: 26 total cpu time spent up to now is 36.9 secs Computing kpt #: 27 total cpu time spent up to now is 38.3 secs Computing kpt #: 28 total cpu time spent up to now is 39.8 secs Computing kpt #: 29 total cpu time spent up to now is 41.3 secs Computing kpt #: 30 total cpu time spent up to now is 42.8 secs Computing kpt #: 31 total cpu time spent up to now is 44.4 secs Computing kpt #: 32 total cpu time spent up to now is 45.9 secs Computing kpt #: 33 total cpu time spent up to now is 47.6 secs Computing kpt #: 34 total cpu time spent up to now is 49.3 secs Computing kpt #: 35 total cpu time spent up to now is 51.1 secs Computing kpt #: 36 total cpu time spent up to now is 52.9 secs Computing kpt #: 37 total cpu time spent up to now is 54.6 secs Computing kpt #: 38 total cpu time spent up to now is 56.4 secs Computing kpt #: 39 total cpu time spent up to now is 58.2 secs Computing kpt #: 40 total cpu time spent up to now is 59.8 secs Computing kpt #: 41 total cpu time spent up to now is 61.5 secs Computing kpt #: 42 total cpu time spent up to now is 63.5 secs Computing kpt #: 43 total cpu time spent up to now is 65.4 secs Computing kpt #: 44 total cpu time spent up to now is 67.4 secs Computing kpt #: 45 total cpu time spent up to now is 69.2 secs Computing kpt #: 46 total cpu time spent up to now is 71.1 secs Computing kpt #: 47 total cpu time spent up to now is 72.7 secs Computing kpt #: 48 total cpu time spent up to now is 74.4 secs Computing kpt #: 49 total cpu time spent up to now is 76.4 secs Computing kpt #: 50 total cpu time spent up to now is 78.4 secs Computing kpt #: 51 total cpu time spent up to now is 80.0 secs Computing kpt #: 52 total cpu time spent up to now is 81.7 secs Computing kpt #: 53 total cpu time spent up to now is 83.7 secs Computing kpt #: 54 total cpu time spent up to now is 85.3 secs Computing kpt #: 55 total cpu time spent up to now is 87.0 secs Computing kpt #: 56 total cpu time spent up to now is 88.6 secs Computing kpt #: 57 total cpu time spent up to now is 93.1 secs Computing kpt #: 58 total cpu time spent up to now is 94.9 secs Computing kpt #: 59 total cpu time spent up to now is 97.4 secs Computing kpt #: 60 total cpu time spent up to now is 99.0 secs Computing kpt #: 61 total cpu time spent up to now is 100.6 secs Computing kpt #: 62 total cpu time spent up to now is 103.0 secs Computing kpt #: 63 total cpu time spent up to now is 104.8 secs Computing kpt #: 64 total cpu time spent up to now is 106.5 secs Computing kpt #: 65 total cpu time spent up to now is 108.1 secs Computing kpt #: 66 total cpu time spent up to now is 109.6 secs Computing kpt #: 67 total cpu time spent up to now is 111.1 secs Computing kpt #: 68 total cpu time spent up to now is 112.6 secs Computing kpt #: 69 total cpu time spent up to now is 117.7 secs Computing kpt #: 70 total cpu time spent up to now is 120.7 secs Computing kpt #: 71 total cpu time spent up to now is 122.1 secs Computing kpt #: 72 total cpu time spent up to now is 123.6 secs Computing kpt #: 73 total cpu time spent up to now is 125.1 secs Computing kpt #: 74 total cpu time spent up to now is 126.6 secs Computing kpt #: 75 total cpu time spent up to now is 127.9 secs Computing kpt #: 76 total cpu time spent up to now is 129.4 secs Computing kpt #: 77 total cpu time spent up to now is 130.8 secs Computing kpt #: 78 total cpu time spent up to now is 132.2 secs Computing kpt #: 79 total cpu time spent up to now is 133.6 secs Computing kpt #: 80 total cpu time spent up to now is 134.9 secs Computing kpt #: 81 total cpu time spent up to now is 136.3 secs Computing kpt #: 82 total cpu time spent up to now is 137.7 secs Computing kpt #: 83 total cpu time spent up to now is 139.0 secs Computing kpt #: 84 total cpu time spent up to now is 140.4 secs Computing kpt #: 85 total cpu time spent up to now is 141.7 secs Computing kpt #: 86 total cpu time spent up to now is 143.1 secs Computing kpt #: 87 total cpu time spent up to now is 144.5 secs Computing kpt #: 88 total cpu time spent up to now is 145.8 secs Computing kpt #: 89 total cpu time spent up to now is 147.2 secs Computing kpt #: 90 total cpu time spent up to now is 148.5 secs Computing kpt #: 91 total cpu time spent up to now is 149.9 secs Computing kpt #: 92 total cpu time spent up to now is 151.2 secs Computing kpt #: 93 total cpu time spent up to now is 152.6 secs Computing kpt #: 94 total cpu time spent up to now is 153.9 secs Computing kpt #: 95 total cpu time spent up to now is 155.3 secs Computing kpt #: 96 total cpu time spent up to now is 156.7 secs Computing kpt #: 97 total cpu time spent up to now is 158.0 secs Computing kpt #: 98 total cpu time spent up to now is 159.3 secs Computing kpt #: 99 total cpu time spent up to now is 160.7 secs Computing kpt #: 100 total cpu time spent up to now is 162.0 secs Computing kpt #: 101 total cpu time spent up to now is 163.3 secs Computing kpt #: 102 total cpu time spent up to now is 164.6 secs Computing kpt #: 103 total cpu time spent up to now is 165.9 secs Computing kpt #: 104 total cpu time spent up to now is 167.2 secs Computing kpt #: 105 total cpu time spent up to now is 168.4 secs Computing kpt #: 106 total cpu time spent up to now is 169.7 secs Computing kpt #: 107 total cpu time spent up to now is 171.0 secs Computing kpt #: 108 total cpu time spent up to now is 172.3 secs Computing kpt #: 109 total cpu time spent up to now is 173.8 secs Computing kpt #: 110 total cpu time spent up to now is 175.2 secs Computing kpt #: 111 total cpu time spent up to now is 176.7 secs Computing kpt #: 112 total cpu time spent up to now is 178.3 secs Computing kpt #: 113 total cpu time spent up to now is 179.9 secs Computing kpt #: 114 total cpu time spent up to now is 181.5 secs Computing kpt #: 115 total cpu time spent up to now is 183.9 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.4 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.9 secs Computing kpt #: 118 total cpu time spent up to now is 191.2 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.7 secs Computing kpt #: 120 total cpu time spent up to now is 195.3 secs Computing kpt #: 121 total cpu time spent up to now is 197.4 secs Computing kpt #: 122 total cpu time spent up to now is 199.0 secs Computing kpt #: 123 total cpu time spent up to now is 200.5 secs Computing kpt #: 124 total cpu time spent up to now is 202.1 secs Computing kpt #: 125 total cpu time spent up to now is 203.6 secs Computing kpt #: 126 total cpu time spent up to now is 205.1 secs Computing kpt #: 127 total cpu time spent up to now is 206.6 secs Computing kpt #: 128 total cpu time spent up to now is 208.1 secs Computing kpt #: 129 total cpu time spent up to now is 209.6 secs Computing kpt #: 130 total cpu time spent up to now is 211.2 secs Computing kpt #: 131 total cpu time spent up to now is 212.8 secs Computing kpt #: 132 total cpu time spent up to now is 214.3 secs Computing kpt #: 133 total cpu time spent up to now is 216.1 secs Computing kpt #: 134 total cpu time spent up to now is 217.6 secs Computing kpt #: 135 total cpu time spent up to now is 219.2 secs Computing kpt #: 136 total cpu time spent up to now is 220.8 secs Computing kpt #: 137 total cpu time spent up to now is 222.3 secs Computing kpt #: 138 total cpu time spent up to now is 223.8 secs Computing kpt #: 139 total cpu time spent up to now is 225.4 secs Computing kpt #: 140 total cpu time spent up to now is 227.0 secs Computing kpt #: 141 total cpu time spent up to now is 228.6 secs Computing kpt #: 142 total cpu time spent up to now is 230.4 secs Computing kpt #: 143 total cpu time spent up to now is 232.0 secs Computing kpt #: 144 total cpu time spent up to now is 233.7 secs Computing kpt #: 145 total cpu time spent up to now is 235.8 secs Computing kpt #: 146 total cpu time spent up to now is 238.3 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.8 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.2 secs Computing kpt #: 149 total cpu time spent up to now is 245.5 secs Computing kpt #: 150 total cpu time spent up to now is 247.6 secs Computing kpt #: 151 total cpu time spent up to now is 249.2 secs Computing kpt #: 152 total cpu time spent up to now is 250.8 secs Computing kpt #: 153 total cpu time spent up to now is 253.0 secs Computing kpt #: 154 total cpu time spent up to now is 255.2 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.7 secs Computing kpt #: 156 total cpu time spent up to now is 259.5 secs Computing kpt #: 157 total cpu time spent up to now is 261.0 secs Computing kpt #: 158 total cpu time spent up to now is 262.6 secs Computing kpt #: 159 total cpu time spent up to now is 264.2 secs Computing kpt #: 160 total cpu time spent up to now is 265.8 secs Computing kpt #: 161 total cpu time spent up to now is 267.4 secs Computing kpt #: 162 total cpu time spent up to now is 269.0 secs Computing kpt #: 163 total cpu time spent up to now is 270.6 secs Computing kpt #: 164 total cpu time spent up to now is 272.2 secs Computing kpt #: 165 total cpu time spent up to now is 273.7 secs Computing kpt #: 166 total cpu time spent up to now is 275.5 secs Computing kpt #: 167 total cpu time spent up to now is 277.2 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.6 secs Computing kpt #: 169 total cpu time spent up to now is 281.2 secs Computing kpt #: 170 total cpu time spent up to now is 282.9 secs Computing kpt #: 171 total cpu time spent up to now is 284.5 secs Computing kpt #: 172 total cpu time spent up to now is 286.5 secs Computing kpt #: 173 total cpu time spent up to now is 288.1 secs Computing kpt #: 174 total cpu time spent up to now is 290.5 secs Computing kpt #: 175 total cpu time spent up to now is 292.1 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.7 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.2 secs Computing kpt #: 178 total cpu time spent up to now is 299.3 secs Computing kpt #: 179 total cpu time spent up to now is 301.7 secs Computing kpt #: 180 total cpu time spent up to now is 303.8 secs Computing kpt #: 181 total cpu time spent up to now is 305.8 secs Computing kpt #: 182 total cpu time spent up to now is 308.0 secs Computing kpt #: 183 total cpu time spent up to now is 309.7 secs Computing kpt #: 184 total cpu time spent up to now is 311.6 secs Computing kpt #: 185 total cpu time spent up to now is 313.3 secs Computing kpt #: 186 total cpu time spent up to now is 314.9 secs Computing kpt #: 187 total cpu time spent up to now is 316.7 secs Computing kpt #: 188 total cpu time spent up to now is 318.5 secs Computing kpt #: 189 total cpu time spent up to now is 320.1 secs Computing kpt #: 190 total cpu time spent up to now is 321.9 secs Computing kpt #: 191 total cpu time spent up to now is 323.5 secs Computing kpt #: 192 total cpu time spent up to now is 325.1 secs Computing kpt #: 193 total cpu time spent up to now is 326.7 secs Computing kpt #: 194 total cpu time spent up to now is 328.3 secs Computing kpt #: 195 total cpu time spent up to now is 329.9 secs Computing kpt #: 196 total cpu time spent up to now is 331.6 secs Computing kpt #: 197 total cpu time spent up to now is 333.2 secs Computing kpt #: 198 total cpu time spent up to now is 334.8 secs Computing kpt #: 199 total cpu time spent up to now is 336.4 secs Computing kpt #: 200 total cpu time spent up to now is 338.1 secs Computing kpt #: 201 total cpu time spent up to now is 339.7 secs Computing kpt #: 202 total cpu time spent up to now is 341.3 secs Computing kpt #: 203 total cpu time spent up to now is 342.8 secs Computing kpt #: 204 total cpu time spent up to now is 344.4 secs Computing kpt #: 205 total cpu time spent up to now is 345.9 secs Computing kpt #: 206 total cpu time spent up to now is 347.4 secs Computing kpt #: 207 total cpu time spent up to now is 348.9 secs Computing kpt #: 208 total cpu time spent up to now is 350.5 secs Computing kpt #: 209 total cpu time spent up to now is 352.0 secs Computing kpt #: 210 total cpu time spent up to now is 353.5 secs Computing kpt #: 211 total cpu time spent up to now is 355.0 secs Computing kpt #: 212 total cpu time spent up to now is 356.5 secs Computing kpt #: 213 total cpu time spent up to now is 358.0 secs Computing kpt #: 214 total cpu time spent up to now is 359.6 secs Computing kpt #: 215 total cpu time spent up to now is 361.1 secs Computing kpt #: 216 total cpu time spent up to now is 362.7 secs Computing kpt #: 217 total cpu time spent up to now is 364.2 secs Computing kpt #: 218 total cpu time spent up to now is 366.0 secs Computing kpt #: 219 total cpu time spent up to now is 367.6 secs Computing kpt #: 220 total cpu time spent up to now is 369.2 secs Computing kpt #: 221 total cpu time spent up to now is 371.0 secs Computing kpt #: 222 total cpu time spent up to now is 372.8 secs Computing kpt #: 223 total cpu time spent up to now is 374.6 secs Computing kpt #: 224 total cpu time spent up to now is 376.2 secs Computing kpt #: 225 total cpu time spent up to now is 378.0 secs Computing kpt #: 226 total cpu time spent up to now is 379.8 secs Computing kpt #: 227 total cpu time spent up to now is 381.4 secs Computing kpt #: 228 total cpu time spent up to now is 383.5 secs Computing kpt #: 229 total cpu time spent up to now is 385.6 secs Computing kpt #: 230 total cpu time spent up to now is 387.2 secs Computing kpt #: 231 total cpu time spent up to now is 389.0 secs Computing kpt #: 232 total cpu time spent up to now is 390.9 secs Computing kpt #: 233 total cpu time spent up to now is 392.5 secs Computing kpt #: 234 total cpu time spent up to now is 394.2 secs Computing kpt #: 235 total cpu time spent up to now is 395.7 secs Computing kpt #: 236 total cpu time spent up to now is 397.3 secs Computing kpt #: 237 total cpu time spent up to now is 398.8 secs Computing kpt #: 238 total cpu time spent up to now is 400.4 secs Computing kpt #: 239 total cpu time spent up to now is 402.1 secs Computing kpt #: 240 total cpu time spent up to now is 404.1 secs Computing kpt #: 241 total cpu time spent up to now is 405.6 secs Computing kpt #: 242 total cpu time spent up to now is 407.8 secs Computing kpt #: 243 total cpu time spent up to now is 409.4 secs Computing kpt #: 244 total cpu time spent up to now is 411.6 secs Computing kpt #: 245 total cpu time spent up to now is 413.2 secs Computing kpt #: 246 total cpu time spent up to now is 415.0 secs Computing kpt #: 247 total cpu time spent up to now is 416.5 secs Computing kpt #: 248 total cpu time spent up to now is 418.2 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 420.6 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 423.1 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 425.5 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.0 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 430.5 secs Computing kpt #: 254 total cpu time spent up to now is 432.6 secs Computing kpt #: 255 total cpu time spent up to now is 434.9 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 437.4 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 439.9 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 442.3 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 444.8 secs Computing kpt #: 260 total cpu time spent up to now is 446.9 secs Computing kpt #: 261 total cpu time spent up to now is 449.1 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 451.6 secs Computing kpt #: 263 total cpu time spent up to now is 453.9 secs Computing kpt #: 264 total cpu time spent up to now is 456.3 secs Computing kpt #: 265 total cpu time spent up to now is 458.5 secs Computing kpt #: 266 total cpu time spent up to now is 460.6 secs Computing kpt #: 267 total cpu time spent up to now is 462.3 secs Computing kpt #: 268 total cpu time spent up to now is 464.2 secs Computing kpt #: 269 total cpu time spent up to now is 465.8 secs Computing kpt #: 270 total cpu time spent up to now is 467.3 secs Computing kpt #: 271 total cpu time spent up to now is 468.9 secs Computing kpt #: 272 total cpu time spent up to now is 470.5 secs Computing kpt #: 273 total cpu time spent up to now is 472.6 secs Computing kpt #: 274 total cpu time spent up to now is 474.2 secs Computing kpt #: 275 total cpu time spent up to now is 476.4 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 478.9 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 481.5 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 484.0 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 486.6 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 489.1 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 491.7 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 494.3 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 496.8 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.4 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.9 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.4 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.9 secs Computing kpt #: 288 total cpu time spent up to now is 509.1 secs Computing kpt #: 289 total cpu time spent up to now is 511.5 secs Computing kpt #: 290 total cpu time spent up to now is 513.7 secs Computing kpt #: 291 total cpu time spent up to now is 515.6 secs Computing kpt #: 292 total cpu time spent up to now is 517.3 secs Computing kpt #: 293 total cpu time spent up to now is 519.3 secs Computing kpt #: 294 total cpu time spent up to now is 520.9 secs Computing kpt #: 295 total cpu time spent up to now is 522.6 secs Computing kpt #: 296 total cpu time spent up to now is 524.3 secs Computing kpt #: 297 total cpu time spent up to now is 525.9 secs ethr = 2.08E-11, avg # of iterations = 63.4 total cpu time spent up to now is 525.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4493 PWs) bands (ev): -16.5820 -16.5820 -15.0479 -15.0479 -15.0465 -15.0465 -14.3731 -14.3731 -14.3559 -14.3559 -14.2293 -14.2293 -5.7786 -5.7786 -5.7769 -5.7769 -2.5706 -2.5706 -2.2976 -2.2976 -2.1822 -2.1822 -2.1374 -2.1374 0.0083 0.0083 0.0166 0.0166 0.0888 0.0888 0.4085 0.4085 1.0488 1.0488 1.3250 1.3250 1.3280 1.3280 1.8300 1.8300 1.8585 1.8585 1.8700 1.8700 2.2669 2.2669 2.2720 2.2720 6.1441 6.1441 10.0635 10.0635 10.1267 10.1267 11.6817 11.6817 11.7052 11.7052 k = 0.0135 0.0078-0.0000 ( 4493 PWs) bands (ev): -16.5814 -16.5814 -15.0485 -15.0478 -15.0467 -15.0466 -14.3733 -14.3732 -14.3561 -14.3561 -14.2299 -14.2292 -5.7787 -5.7783 -5.7764 -5.7757 -2.5718 -2.5683 -2.2975 -2.2971 -2.1839 -2.1818 -2.1381 -2.1380 0.0070 0.0074 0.0143 0.0175 0.0898 0.0899 0.4088 0.4119 1.0462 1.0480 1.3259 1.3263 1.3284 1.3307 1.8270 1.8308 1.8569 1.8572 1.8681 1.8719 2.2668 2.2668 2.2718 2.2721 6.1475 6.1475 10.0630 10.0630 10.1256 10.1266 11.6789 11.6793 11.7018 11.7048 k = 0.0270 0.0156-0.0000 ( 4501 PWs) bands (ev): -16.5797 -16.5797 -15.0497 -15.0487 -15.0470 -15.0462 -14.3738 -14.3737 -14.3567 -14.3566 -14.2311 -14.2296 -5.7799 -5.7785 -5.7732 -5.7721 -2.5722 -2.5650 -2.2968 -2.2961 -2.1871 -2.1836 -2.1400 -2.1391 0.0014 0.0042 0.0129 0.0171 0.0931 0.0932 0.4127 0.4189 1.0405 1.0440 1.3277 1.3284 1.3330 1.3376 1.8219 1.8282 1.8520 1.8542 1.8661 1.8740 2.2661 2.2665 2.2716 2.2722 6.1576 6.1576 10.0614 10.0615 10.1235 10.1255 11.6698 11.6730 11.6944 11.7014 k = 0.0405 0.0234-0.0000 ( 4503 PWs) bands (ev): -16.5768 -16.5767 -15.0520 -15.0508 -15.0471 -15.0455 -14.3748 -14.3746 -14.3577 -14.3574 -14.2327 -14.2305 -5.7819 -5.7796 -5.7674 -5.7659 -2.5715 -2.5609 -2.2956 -2.2946 -2.1929 -2.1893 -2.1417 -2.1389 -0.0084 -0.0021 0.0128 0.0167 0.0983 0.0984 0.4200 0.4288 1.0323 1.0371 1.3301 1.3308 1.3422 1.3483 1.8141 1.8207 1.8446 1.8508 1.8643 1.8762 2.2648 2.2659 2.2716 2.2727 6.1742 6.1742 10.0588 10.0590 10.1203 10.1233 11.6543 11.6635 11.6823 11.6959 k = 0.0541 0.0312-0.0000 ( 4503 PWs) bands (ev): -16.5727 -16.5727 -15.0552 -15.0537 -15.0469 -15.0446 -14.3762 -14.3757 -14.3592 -14.3584 -14.2347 -14.2319 -5.7845 -5.7814 -5.7592 -5.7573 -2.5700 -2.5558 -2.2942 -2.2927 -2.2023 -2.2000 -2.1417 -2.1357 -0.0210 -0.0119 0.0135 0.0171 0.1052 0.1054 0.4301 0.4411 1.0222 1.0280 1.3333 1.3340 1.3547 1.3620 1.8022 1.8075 1.8364 1.8473 1.8634 1.8784 2.2629 2.2648 2.2720 2.2736 6.1973 6.1973 10.0550 10.0555 10.1159 10.1200 11.6333 11.6516 11.6656 11.6887 k = 0.0676 0.0390-0.0000 ( 4489 PWs) bands (ev): -16.5674 -16.5674 -15.0594 -15.0576 -15.0466 -15.0436 -14.3781 -14.3770 -14.3612 -14.3597 -14.2372 -14.2337 -5.7878 -5.7839 -5.7486 -5.7462 -2.5676 -2.5498 -2.2933 -2.2905 -2.2165 -2.2151 -2.1390 -2.1294 -0.0358 -0.0245 0.0148 0.0184 0.1135 0.1139 0.4424 0.4553 1.0108 1.0173 1.3372 1.3379 1.3699 1.3781 1.7853 1.7890 1.8285 1.8432 1.8635 1.8806 2.2605 2.2632 2.2728 2.2751 6.2265 6.2265 10.0498 10.0509 10.1103 10.1156 11.6080 11.6370 11.6455 11.6799 k = 0.0811 0.0468-0.0000 ( 4481 PWs) bands (ev): -16.5610 -16.5610 -15.0645 -15.0625 -15.0460 -15.0424 -14.3804 -14.3786 -14.3636 -14.3611 -14.2401 -14.2360 -5.7916 -5.7869 -5.7357 -5.7329 -2.5644 -2.5432 -2.2942 -2.2880 -2.2366 -2.2313 -2.1335 -2.1203 -0.0522 -0.0391 0.0169 0.0206 0.1229 0.1235 0.4562 0.4706 0.9987 1.0056 1.3416 1.3423 1.3872 1.3961 1.7633 1.7660 1.8212 1.8384 1.8646 1.8828 2.2579 2.2613 2.2741 2.2769 6.2616 6.2617 10.0432 10.0451 10.1033 10.1099 11.5793 11.6164 11.6267 11.6699 k = 0.0946 0.0546-0.0000 ( 4495 PWs) bands (ev): -16.5535 -16.5535 -15.0706 -15.0684 -15.0453 -15.0411 -14.3831 -14.3804 -14.3664 -14.3627 -14.2433 -14.2386 -5.7959 -5.7906 -5.7205 -5.7173 -2.5605 -2.5358 -2.2997 -2.2855 -2.2607 -2.2467 -2.1253 -2.1086 -0.0697 -0.0553 0.0198 0.0236 0.1330 0.1338 0.4708 0.4864 0.9865 0.9936 1.3463 1.3470 1.4061 1.4155 1.7369 1.7390 1.8142 1.8329 1.8662 1.8851 2.2552 2.2592 2.2757 2.2790 6.3022 6.3023 10.0350 10.0380 10.0950 10.1030 11.5482 11.5895 11.6108 11.6588 k = 0.1081 0.0624-0.0000 ( 4492 PWs) bands (ev): -16.5448 -16.5448 -15.0778 -15.0752 -15.0445 -15.0397 -14.3863 -14.3823 -14.3697 -14.3644 -14.2468 -14.2415 -5.8008 -5.7948 -5.7031 -5.6995 -2.5560 -2.5278 -2.3143 -2.2896 -2.2817 -2.2562 -2.1144 -2.0945 -0.0879 -0.0725 0.0235 0.0274 0.1436 0.1447 0.4857 0.5024 0.9746 0.9816 1.3510 1.3517 1.4262 1.4360 1.7069 1.7086 1.8073 1.8269 1.8684 1.8876 2.2525 2.2570 2.2777 2.2814 6.3479 6.3482 10.0249 10.0295 10.0853 10.0949 11.5156 11.5599 11.5955 11.6472 k = 0.1216 0.0702-0.0000 ( 4486 PWs) bands (ev): -16.5351 -16.5350 -15.0860 -15.0832 -15.0434 -15.0382 -14.3898 -14.3845 -14.3733 -14.3662 -14.2506 -14.2447 -5.8061 -5.7996 -5.6836 -5.6795 -2.5511 -2.5195 -2.3385 -2.3192 -2.2803 -2.2592 -2.1011 -2.0780 -0.1064 -0.0904 0.0280 0.0321 0.1542 0.1556 0.5004 0.5179 0.9633 0.9702 1.3554 1.3561 1.4472 1.4571 1.6742 1.6757 1.8002 1.8204 1.8710 1.8904 2.2498 2.2548 2.2800 2.2842 6.3985 6.3988 10.0129 10.0193 10.0741 10.0855 11.4824 11.5287 11.5809 11.6354 k = 0.1351 0.0780-0.0000 ( 4480 PWs) bands (ev): -16.5242 -16.5241 -15.0952 -15.0922 -15.0423 -15.0365 -14.3937 -14.3869 -14.3773 -14.3681 -14.2547 -14.2482 -5.8118 -5.8048 -5.6620 -5.6575 -2.5460 -2.5109 -2.3687 -2.3519 -2.2785 -2.2587 -2.0853 -2.0594 -0.1252 -0.1086 0.0334 0.0377 0.1647 0.1664 0.5146 0.5327 0.9530 0.9596 1.3590 1.3596 1.4685 1.4786 1.6400 1.6413 1.7930 1.8134 1.8741 1.8934 2.2472 2.2526 2.2826 2.2872 6.4534 6.4538 9.9986 10.0074 10.0616 10.0749 11.4491 11.4967 11.5671 11.6237 k = 0.1486 0.0858-0.0000 ( 4480 PWs) bands (ev): -16.5123 -16.5122 -15.1056 -15.1024 -15.0410 -15.0347 -14.3978 -14.3895 -14.3814 -14.3700 -14.2589 -14.2519 -5.8179 -5.8104 -5.6385 -5.6336 -2.5412 -2.5026 -2.4023 -2.3861 -2.2769 -2.2567 -2.0672 -2.0386 -0.1438 -0.1269 0.0396 0.0441 0.1746 0.1766 0.5277 0.5464 0.9438 0.9500 1.3607 1.3613 1.4896 1.4995 1.6060 1.6069 1.7857 1.8061 1.8776 1.8968 2.2447 2.2504 2.2855 2.2904 6.5123 6.5128 9.9820 9.9936 10.0477 10.0633 11.4163 11.4644 11.5545 11.6124 k = 0.1622 0.0936-0.0000 ( 4488 PWs) bands (ev): -16.4993 -16.4992 -15.1171 -15.1137 -15.0396 -15.0329 -14.4021 -14.3925 -14.3855 -14.3720 -14.2633 -14.2558 -5.8243 -5.8165 -5.6131 -5.6079 -2.5376 -2.4961 -2.4370 -2.4205 -2.2757 -2.2542 -2.0466 -2.0157 -0.1621 -0.1451 0.0466 0.0514 0.1835 0.1861 0.5397 0.5589 0.9361 0.9418 1.3593 1.3599 1.5083 1.5169 1.5761 1.5768 1.7782 1.7986 1.8817 1.9006 2.2423 2.2482 2.2887 2.2939 6.5747 6.5754 9.9629 9.9775 10.0325 10.0506 11.3844 11.4322 11.5433 11.6017 k = 0.1757 0.1014-0.0000 ( 4488 PWs) bands (ev): -16.4853 -16.4852 -15.1297 -15.1262 -15.0380 -15.0310 -14.4066 -14.3959 -14.3893 -14.3741 -14.2678 -14.2597 -5.8311 -5.8229 -5.5859 -5.5803 -2.5383 -2.4996 -2.4656 -2.4500 -2.2747 -2.2515 -2.0239 -1.9908 -0.1801 -0.1629 0.0545 0.0594 0.1913 0.1943 0.5503 0.5698 0.9298 0.9349 1.3528 1.3533 1.5142 1.5184 1.5612 1.5672 1.7709 1.7910 1.8864 1.9049 2.2399 2.2460 2.2921 2.2975 6.6403 6.6411 9.9412 9.9591 10.0163 10.0371 11.3538 11.4003 11.5337 11.5918 k = 0.1892 0.1092-0.0000 ( 4488 PWs) bands (ev): -16.4703 -16.4701 -15.1435 -15.1398 -15.0363 -15.0290 -14.4112 -14.4000 -14.3926 -14.3761 -14.2724 -14.2639 -5.8380 -5.8296 -5.5571 -5.5512 -2.5506 -2.5285 -2.4806 -2.4590 -2.2740 -2.2489 -1.9989 -1.9641 -0.1975 -0.1803 0.0630 0.0682 0.1976 0.2012 0.5594 0.5792 0.9250 0.9296 1.3386 1.3392 1.4997 1.5021 1.5726 1.5816 1.7636 1.7834 1.8917 1.9098 2.2375 2.2438 2.2956 2.3013 6.7086 6.7096 9.9170 9.9381 9.9992 10.0229 11.3244 11.3689 11.5257 11.5828 k = 0.2027 0.1170-0.0000 ( 4484 PWs) bands (ev): -16.4543 -16.4541 -15.1585 -15.1547 -15.0346 -15.0269 -14.4158 -14.4046 -14.3955 -14.3782 -14.2771 -14.2680 -5.8451 -5.8365 -5.5268 -5.5206 -2.5798 -2.5675 -2.4857 -2.4531 -2.2735 -2.2463 -1.9720 -1.9357 -0.2142 -0.1970 0.0722 0.0776 0.2020 0.2063 0.5672 0.5870 0.9216 0.9256 1.3154 1.3162 1.4845 1.4867 1.5928 1.6022 1.7567 1.7759 1.8978 1.9153 2.2351 2.2416 2.2993 2.3052 6.7793 6.7806 9.8903 9.9144 9.9816 10.0080 11.2962 11.3379 11.5195 11.5751 k = 0.2162 0.1248-0.0000 ( 4476 PWs) bands (ev): -16.4374 -16.4372 -15.1746 -15.1707 -15.0327 -15.0248 -14.4204 -14.4095 -14.3981 -14.3802 -14.2819 -14.2723 -5.8524 -5.8436 -5.4951 -5.4887 -2.6188 -2.6092 -2.4833 -2.4444 -2.2733 -2.2440 -1.9431 -1.9057 -0.2302 -0.2131 0.0820 0.0877 0.2045 0.2094 0.5737 0.5933 0.9195 0.9229 1.2842 1.2852 1.4743 1.4766 1.6147 1.6240 1.7502 1.7688 1.9046 1.9215 2.2327 2.2392 2.3031 2.3091 6.8521 6.8536 9.8612 9.8880 9.9636 9.9926 11.2690 11.3075 11.5151 11.5688 k = 0.2297 0.1326-0.0000 ( 4474 PWs) bands (ev): -16.4196 -16.4194 -15.1918 -15.1879 -15.0308 -15.0227 -14.4249 -14.4144 -14.4005 -14.3822 -14.2867 -14.2766 -5.8597 -5.8509 -5.4622 -5.4555 -2.6614 -2.6524 -2.4777 -2.4351 -2.2733 -2.2419 -1.9125 -1.8744 -0.2453 -0.2284 0.0922 0.0982 0.2047 0.2105 0.5790 0.5983 0.9184 0.9211 1.2476 1.2490 1.4679 1.4708 1.6369 1.6461 1.7443 1.7621 1.9122 1.9284 2.2302 2.2367 2.3069 2.3131 6.9265 6.9282 9.8299 9.8588 9.9455 9.9768 11.2426 11.2774 11.5123 11.5642 k = 0.2432 0.1404-0.0000 ( 4464 PWs) bands (ev): -16.4009 -16.4007 -15.2102 -15.2062 -15.0288 -15.0206 -14.4293 -14.4192 -14.4027 -14.3841 -14.2915 -14.2810 -5.8670 -5.8582 -5.4283 -5.4213 -2.7055 -2.6966 -2.4709 -2.4255 -2.2736 -2.2401 -1.8804 -1.8417 -0.2594 -0.2427 0.1028 0.1091 0.2028 0.2093 0.5832 0.6019 0.9180 0.9201 1.2084 1.2102 1.4636 1.4670 1.6590 1.6679 1.7393 1.7561 1.9205 1.9360 2.2277 2.2341 2.3108 2.3171 7.0022 7.0041 9.7966 9.8271 9.9275 9.9607 11.2164 11.2478 11.5112 11.5619 k = 0.2568 0.1482-0.0000 ( 4460 PWs) bands (ev): -16.3815 -16.3813 -15.2296 -15.2257 -15.0267 -15.0185 -14.4334 -14.4240 -14.4047 -14.3860 -14.2964 -14.2854 -5.8743 -5.8656 -5.3934 -5.3863 -2.7503 -2.7414 -2.4634 -2.4159 -2.2741 -2.2386 -1.8469 -1.8081 -0.2726 -0.2561 0.1135 0.1202 0.1986 0.2060 0.5864 0.6044 0.9180 0.9195 1.1683 1.1706 1.4599 1.4640 1.6804 1.6891 1.7355 1.7511 1.9297 1.9443 2.2250 2.2314 2.3146 2.3210 7.0788 7.0811 9.7614 9.7931 9.9096 9.9445 11.1900 11.2186 11.5117 11.5620 k = 0.2703 0.1560-0.0000 ( 4466 PWs) bands (ev): -16.3613 -16.3611 -15.2500 -15.2461 -15.0246 -15.0164 -14.4374 -14.4285 -14.4066 -14.3877 -14.3012 -14.2898 -5.8815 -5.8729 -5.3579 -5.3506 -2.7953 -2.7863 -2.4557 -2.4064 -2.2749 -2.2375 -1.8123 -1.7736 -0.2846 -0.2685 0.1240 0.1311 0.1924 0.2007 0.5886 0.6058 0.9179 0.9189 1.1290 1.1318 1.4559 1.4608 1.7006 1.7094 1.7333 1.7473 1.9395 1.9533 2.2222 2.2285 2.3184 2.3248 7.1560 7.1586 9.7245 9.7569 9.8921 9.9283 11.1630 11.1896 11.5139 11.5651 k = 0.2838 0.1638-0.0000 ( 4456 PWs) bands (ev): -16.3405 -16.3402 -15.2713 -15.2675 -15.0225 -15.0143 -14.4412 -14.4329 -14.4083 -14.3894 -14.3060 -14.2943 -5.8886 -5.8802 -5.3219 -5.3145 -2.8402 -2.8312 -2.4478 -2.3971 -2.2759 -2.2367 -1.7768 -1.7386 -0.2956 -0.2797 0.1337 0.1412 0.1849 0.1940 0.5900 0.6061 0.9172 0.9176 1.0916 1.0952 1.4513 1.4569 1.7171 1.7274 1.7354 1.7462 1.9500 1.9630 2.2192 2.2254 2.3220 2.3285 7.2336 7.2365 9.6862 9.7189 9.8752 9.9122 11.1352 11.1610 11.5180 11.5711 k = 0.2973 0.1716-0.0000 ( 4456 PWs) bands (ev): -16.3191 -16.3187 -15.2934 -15.2897 -15.0204 -15.0123 -14.4447 -14.4369 -14.4098 -14.3909 -14.3107 -14.2987 -5.8954 -5.8873 -5.2855 -5.2781 -2.8847 -2.8758 -2.4398 -2.3879 -2.2771 -2.2362 -1.7407 -1.7032 -0.3053 -0.2898 0.1409 0.1486 0.1781 0.1873 0.5905 0.6054 0.9147 0.9152 1.0575 1.0621 1.4457 1.4521 1.7236 1.7358 1.7482 1.7545 1.9611 1.9731 2.2161 2.2221 2.3256 2.3320 7.3110 7.3143 9.6466 9.6792 9.8590 9.8965 11.1064 11.1324 11.5243 11.5802 k = 0.3108 0.1794-0.0000 ( 4460 PWs) bands (ev): -16.2972 -16.2968 -15.3163 -15.3126 -15.0183 -15.0104 -14.4479 -14.4407 -14.4111 -14.3923 -14.3154 -14.3031 -5.9021 -5.8943 -5.2492 -5.2418 -2.9285 -2.9196 -2.4319 -2.3790 -2.2787 -2.2362 -1.7043 -1.6677 -0.3139 -0.2987 0.1417 0.1486 0.1771 0.1841 0.5902 0.6038 0.9091 0.9103 1.0283 1.0340 1.4391 1.4461 1.7253 1.7367 1.7654 1.7709 1.9726 1.9838 2.2128 2.2186 2.3290 2.3353 7.3881 7.3917 9.6060 9.6381 9.8437 9.8813 11.0769 11.1037 11.5330 11.5922 k = 0.3243 0.1872-0.0000 ( 4464 PWs) bands (ev): -16.2748 -16.2744 -15.3397 -15.3361 -15.0162 -15.0086 -14.4508 -14.4442 -14.4122 -14.3936 -14.3199 -14.3075 -5.9085 -5.9010 -5.2131 -5.2057 -2.9713 -2.9626 -2.4240 -2.3703 -2.2805 -2.2365 -1.6678 -1.6324 -0.3212 -0.3064 0.1333 0.1406 0.1823 0.1876 0.5893 0.6016 0.8991 0.9009 1.0061 1.0128 1.4316 1.4392 1.7267 1.7371 1.7829 1.7879 1.9846 1.9949 2.2092 2.2149 2.3321 2.3384 7.4644 7.4683 9.5646 9.5959 9.8294 9.8667 11.0471 11.0748 11.5445 11.6072 k = 0.3378 0.1951-0.0000 ( 4464 PWs) bands (ev): -16.2522 -16.2518 -15.3635 -15.3601 -15.0141 -15.0068 -14.4534 -14.4474 -14.4131 -14.3947 -14.3243 -14.3118 -5.9145 -5.9074 -5.1774 -5.1702 -3.0129 -3.0044 -2.4162 -2.3618 -2.2827 -2.2373 -1.6317 -1.5977 -0.3272 -0.3129 0.1195 0.1277 0.1894 0.1949 0.5879 0.5989 0.8839 0.8861 0.9920 0.9991 1.4234 1.4314 1.7287 1.7379 1.7997 1.8042 1.9969 2.0063 2.2054 2.2110 2.3351 2.3412 7.5395 7.5438 9.5226 9.5528 9.8163 9.8528 11.0173 11.0457 11.5589 11.6250 k = 0.3514 0.2029-0.0000 ( 4464 PWs) bands (ev): -16.2295 -16.2290 -15.3875 -15.3843 -15.0121 -15.0052 -14.4558 -14.4503 -14.4137 -14.3958 -14.3285 -14.3160 -5.9202 -5.9136 -5.1426 -5.1355 -3.0530 -3.0448 -2.4085 -2.3535 -2.2851 -2.2384 -1.5961 -1.5639 -0.3319 -0.3181 0.1033 0.1122 0.1969 0.2027 0.5864 0.5962 0.8645 0.8673 0.9849 0.9917 1.4146 1.4229 1.7312 1.7394 1.8155 1.8195 2.0093 2.0179 2.2013 2.2067 2.3379 2.3438 7.6131 7.6177 9.4803 9.5092 9.8044 9.8398 10.9879 11.0165 11.5761 11.6454 k = 0.3649 0.2107-0.0000 ( 4462 PWs) bands (ev): -16.2068 -16.2063 -15.4115 -15.4085 -15.0102 -15.0037 -14.4579 -14.4529 -14.4140 -14.3967 -14.3325 -14.3202 -5.9255 -5.9194 -5.1088 -5.1020 -3.0913 -3.0834 -2.4009 -2.3455 -2.2878 -2.2400 -1.5616 -1.5313 -0.3354 -0.3222 0.0860 0.0952 0.2037 0.2097 0.5852 0.5938 0.8427 0.8466 0.9823 0.9888 1.4055 1.4139 1.7342 1.7413 1.8302 1.8337 2.0218 2.0296 2.1970 2.2022 2.3405 2.3460 7.6847 7.6896 9.4381 9.4655 9.7939 9.8278 10.9592 10.9876 11.5963 11.6683 k = 0.3784 0.2185-0.0000 ( 4456 PWs) bands (ev): -16.1843 -16.1838 -15.4353 -15.4325 -15.0084 -15.0023 -14.4597 -14.4553 -14.4142 -14.3976 -14.3362 -14.3242 -5.9304 -5.9247 -5.0765 -5.0701 -3.1274 -3.1200 -2.3934 -2.3378 -2.2908 -2.2420 -1.5284 -1.5002 -0.3377 -0.3251 0.0682 0.0775 0.2095 0.2156 0.5846 0.5924 0.8204 0.8255 0.9824 0.9884 1.3964 1.4047 1.7375 1.7437 1.8437 1.8467 2.0342 2.0413 2.1924 2.1975 2.3428 2.3480 7.7537 7.7588 9.3963 9.4220 9.7848 9.8168 10.9318 10.9593 11.6193 11.6934 k = 0.3919 0.2263-0.0000 ( 4456 PWs) bands (ev): -16.1623 -16.1618 -15.4586 -15.4559 -15.0066 -15.0011 -14.4613 -14.4573 -14.4141 -14.3984 -14.3396 -14.3280 -5.9348 -5.9297 -5.0461 -5.0400 -3.1611 -3.1541 -2.3861 -2.3304 -2.2940 -2.2444 -1.4970 -1.4712 -0.3388 -0.3270 0.0503 0.0594 0.2140 0.2200 0.5850 0.5923 0.7986 0.8048 0.9839 0.9894 1.3875 1.3954 1.7409 1.7462 1.8559 1.8585 2.0465 2.0530 2.1874 2.1924 2.3449 2.3497 7.8196 7.8249 9.3554 9.3792 9.7771 9.8068 10.9059 10.9321 11.6449 11.7206 k = 0.4054 0.2341-0.0000 ( 4470 PWs) bands (ev): -16.1412 -16.1406 -15.4810 -15.4786 -15.0050 -15.0000 -14.4626 -14.4592 -14.4137 -14.3992 -14.3426 -14.3317 -5.9387 -5.9342 -5.0178 -5.0122 -3.1919 -3.1856 -2.3789 -2.3235 -2.2973 -2.2472 -1.4678 -1.4446 -0.3389 -0.3279 0.0329 0.0416 0.2172 0.2229 0.5867 0.5938 0.7776 0.7848 0.9862 0.9912 1.3790 1.3865 1.7443 1.7488 1.8668 1.8689 2.0585 2.0644 2.1821 2.1869 2.3467 2.3511 7.8816 7.8870 9.3160 9.3376 9.7708 9.7978 10.8822 10.9064 11.6728 11.7495 k = 0.4189 0.2419-0.0000 ( 4476 PWs) bands (ev): -16.1212 -16.1206 -15.5021 -15.4999 -15.0035 -14.9992 -14.4637 -14.4607 -14.4132 -14.4000 -14.3451 -14.3351 -5.9421 -5.9382 -4.9922 -4.9872 -3.2195 -3.2139 -2.3718 -2.3173 -2.3004 -2.2504 -1.4411 -1.4208 -0.3380 -0.3281 0.0164 0.0245 0.2192 0.2245 0.5900 0.5972 0.7577 0.7658 0.9889 0.9933 1.3713 1.3781 1.7475 1.7513 1.8764 1.8781 2.0702 2.0756 2.1765 2.1811 2.3483 2.3522 7.9391 7.9443 9.2788 9.2981 9.7659 9.7898 10.8608 10.8826 11.7029 11.7796 k = 0.4324 0.2497-0.0000 ( 4464 PWs) bands (ev): -16.1028 -16.1023 -15.5214 -15.5195 -15.0022 -14.9985 -14.4645 -14.4621 -14.4124 -14.4009 -14.3472 -14.3383 -5.9450 -5.9417 -4.9695 -4.9652 -3.2436 -3.2387 -2.3650 -2.3134 -2.3017 -2.2539 -1.4174 -1.4001 -0.3365 -0.3277 0.0014 0.0086 0.2202 0.2249 0.5949 0.6023 0.7391 0.7478 0.9916 0.9954 1.3645 1.3704 1.7506 1.7537 1.8845 1.8859 2.0816 2.0865 2.1705 2.1750 2.3497 2.3531 7.9910 7.9959 9.2447 9.2614 9.7623 9.7829 10.8423 10.8612 11.7346 11.8100 k = 0.4459 0.2575-0.0000 ( 4466 PWs) bands (ev): -16.0865 -16.0861 -15.5384 -15.5368 -15.0010 -14.9980 -14.4652 -14.4632 -14.4115 -14.4019 -14.3487 -14.3413 -5.9473 -5.9446 -4.9502 -4.9467 -3.2638 -3.2597 -2.3583 -2.3143 -2.2988 -2.2579 -1.3971 -1.3830 -0.3344 -0.3271 -0.0117 -0.0055 0.2206 0.2245 0.6013 0.6089 0.7219 0.7308 0.9941 0.9972 1.3587 1.3637 1.7532 1.7557 1.8912 1.8922 2.0924 2.0970 2.1642 2.1685 2.3510 2.3537 8.0361 8.0405 9.2147 9.2286 9.7600 9.7769 10.8270 10.8426 11.7674 11.8396 k = 0.4595 0.2653-0.0000 ( 4466 PWs) bands (ev): -16.0730 -16.0726 -15.5525 -15.5513 -15.0000 -14.9977 -14.4656 -14.4641 -14.4104 -14.4029 -14.3497 -14.3438 -5.9490 -5.9470 -4.9347 -4.9319 -3.2797 -3.2766 -2.3518 -2.3181 -2.2936 -2.2621 -1.3804 -1.3697 -0.3322 -0.3264 -0.0223 -0.0174 0.2205 0.2236 0.6089 0.6165 0.7063 0.7151 0.9963 0.9987 1.3543 1.3581 1.7555 1.7573 1.8964 1.8972 2.1026 2.1069 2.1575 2.1617 2.3520 2.3540 8.0733 8.0770 9.1900 9.2008 9.7588 9.7717 10.8153 10.8273 11.8006 11.8659 k = 0.4730 0.2731-0.0000 ( 4460 PWs) bands (ev): -16.0627 -16.0624 -15.5631 -15.5623 -14.9991 -14.9976 -14.4658 -14.4649 -14.4092 -14.4041 -14.3501 -14.3460 -5.9501 -5.9488 -4.9232 -4.9213 -3.2912 -3.2891 -2.3455 -2.3228 -2.2879 -2.2667 -1.3678 -1.3606 -0.3300 -0.3260 -0.0300 -0.0266 0.2204 0.2225 0.6172 0.6241 0.6934 0.7011 0.9981 0.9997 1.3512 1.3538 1.7572 1.7584 1.9002 1.9007 2.1122 2.1161 2.1508 2.1546 2.3528 2.3542 8.1014 8.1040 9.1718 9.1792 9.7587 9.7674 10.8073 10.8155 11.8326 11.8851 k = 0.4865 0.2809-0.0000 ( 4468 PWs) bands (ev): -16.0563 -16.0561 -15.5696 -15.5692 -14.9984 -14.9977 -14.4659 -14.4654 -14.4079 -14.4053 -14.3498 -14.3478 -5.9507 -5.9500 -4.9160 -4.9151 -3.2979 -3.2969 -2.3394 -2.3280 -2.2823 -2.2716 -1.3594 -1.3558 -0.3281 -0.3260 -0.0344 -0.0327 0.2204 0.2215 0.6250 0.6296 0.6848 0.6898 0.9993 1.0001 1.3496 1.3509 1.7583 1.7589 1.9025 1.9028 2.1206 2.1237 2.1447 2.1477 2.3534 2.3541 8.1191 8.1204 9.1612 9.1649 9.7596 9.7640 10.8033 10.8074 11.8613 11.8916 k = 0.5000 0.2887-0.0000 ( 4468 PWs) bands (ev): -16.0540 -16.0540 -15.5717 -15.5717 -14.9980 -14.9980 -14.4657 -14.4657 -14.4066 -14.4066 -14.3491 -14.3491 -5.9506 -5.9506 -4.9133 -4.9133 -3.2998 -3.2998 -2.3336 -2.3336 -2.2768 -2.2768 -1.3553 -1.3553 -0.3267 -0.3267 -0.0353 -0.0353 0.2207 0.2207 0.6301 0.6301 0.6834 0.6834 1.0000 1.0000 1.3495 1.3495 1.7589 1.7589 1.9034 1.9034 2.1260 2.1260 2.1428 2.1428 2.3539 2.3539 8.1256 8.1256 9.1588 9.1588 9.7614 9.7614 10.8033 10.8033 11.8828 11.8828 k = 0.5000 0.2887-0.0000 ( 4468 PWs) bands (ev): -16.0540 -16.0540 -15.5717 -15.5717 -14.9980 -14.9980 -14.4657 -14.4657 -14.4066 -14.4066 -14.3491 -14.3491 -5.9506 -5.9506 -4.9133 -4.9133 -3.2998 -3.2998 -2.3336 -2.3336 -2.2768 -2.2768 -1.3553 -1.3553 -0.3267 -0.3267 -0.0353 -0.0353 0.2207 0.2207 0.6301 0.6301 0.6834 0.6834 1.0000 1.0000 1.3495 1.3495 1.7589 1.7589 1.9034 1.9034 2.1260 2.1260 2.1428 2.1428 2.3539 2.3539 8.1256 8.1256 9.1588 9.1588 9.7614 9.7614 10.8033 10.8033 11.8828 11.8828 k = 0.4924 0.3018-0.0000 ( 4464 PWs) bands (ev): -16.0535 -16.0534 -15.5723 -15.5718 -14.9985 -14.9979 -14.4658 -14.4656 -14.4067 -14.4065 -14.3493 -14.3490 -5.9512 -5.9505 -4.9123 -4.9110 -3.3042 -3.3029 -2.3331 -2.3313 -2.2758 -2.2751 -1.3564 -1.3542 -0.3259 -0.3257 -0.0353 -0.0347 0.2197 0.2201 0.6295 0.6301 0.6815 0.6823 1.0014 1.0017 1.3476 1.3483 1.7590 1.7592 1.9035 1.9038 2.1260 2.1263 2.1423 2.1435 2.3541 2.3542 8.1263 8.1275 9.1570 9.1588 9.7607 9.7621 10.8038 10.8058 11.8807 11.8820 k = 0.4848 0.3149-0.0000 ( 4460 PWs) bands (ev): -16.0519 -16.0516 -15.5736 -15.5728 -14.9996 -14.9985 -14.4657 -14.4653 -14.4067 -14.4064 -14.3496 -14.3492 -5.9523 -5.9509 -4.9078 -4.9052 -3.3159 -3.3132 -2.3300 -2.3266 -2.2718 -2.2705 -1.3572 -1.3530 -0.3231 -0.3228 -0.0345 -0.0334 0.2169 0.2176 0.6282 0.6295 0.6767 0.6783 1.0056 1.0063 1.3427 1.3441 1.7595 1.7599 1.9040 1.9046 2.1265 2.1269 2.1419 2.1444 2.3549 2.3551 8.1298 8.1321 9.1534 9.1569 9.7603 9.7630 10.8071 10.8111 11.8758 11.8785 k = 0.4773 0.3280-0.0000 ( 4456 PWs) bands (ev): -16.0491 -16.0487 -15.5758 -15.5746 -15.0013 -14.9995 -14.4655 -14.4650 -14.4068 -14.4062 -14.3501 -14.3495 -5.9538 -5.9518 -4.9001 -4.8962 -3.3344 -3.3305 -2.3252 -2.3200 -2.2648 -2.2628 -1.3578 -1.3516 -0.3185 -0.3180 -0.0331 -0.0314 0.2123 0.2134 0.6263 0.6283 0.6695 0.6718 1.0125 1.0134 1.3349 1.3370 1.7603 1.7610 1.9049 1.9058 2.1273 2.1279 2.1417 2.1454 2.3562 2.3565 8.1359 8.1394 9.1479 9.1532 9.7600 9.7639 10.8134 10.8194 11.8683 11.8722 k = 0.4697 0.3412-0.0000 ( 4456 PWs) bands (ev): -16.0453 -16.0447 -15.5788 -15.5771 -15.0034 -15.0011 -14.4652 -14.4645 -14.4068 -14.4061 -14.3508 -14.3500 -5.9556 -5.9530 -4.8889 -4.8839 -3.3591 -3.3541 -2.3194 -2.3125 -2.2545 -2.2520 -1.3580 -1.3499 -0.3121 -0.3114 -0.0311 -0.0289 0.2061 0.2075 0.6238 0.6264 0.6604 0.6633 1.0213 1.0225 1.3244 1.3271 1.7616 1.7625 1.9059 1.9072 2.1284 2.1291 2.1417 2.1466 2.3579 2.3583 8.1447 8.1494 9.1407 9.1477 9.7598 9.7649 10.8225 10.8305 11.8580 11.8632 k = 0.4621 0.3543-0.0000 ( 4460 PWs) bands (ev): -16.0403 -16.0396 -15.5826 -15.5806 -15.0059 -15.0031 -14.4648 -14.4640 -14.4068 -14.4059 -14.3516 -14.3507 -5.9578 -5.9547 -4.8745 -4.8684 -3.3893 -3.3832 -2.3131 -2.3046 -2.2413 -2.2382 -1.3578 -1.3479 -0.3039 -0.3030 -0.0286 -0.0260 0.1984 0.2000 0.6205 0.6238 0.6500 0.6534 1.0316 1.0329 1.3116 1.3149 1.7634 1.7645 1.9070 1.9087 2.1298 2.1307 2.1420 2.1480 2.3601 2.3605 8.1561 8.1619 9.1316 9.1402 9.7598 9.7660 10.8345 10.8445 11.8452 11.8514 k = 0.4545 0.3674-0.0000 ( 4466 PWs) bands (ev): -16.0342 -16.0334 -15.5872 -15.5849 -15.0088 -15.0056 -14.4644 -14.4634 -14.4067 -14.4057 -14.3525 -14.3515 -5.9603 -5.9568 -4.8569 -4.8497 -3.4242 -3.4173 -2.3067 -2.2967 -2.2258 -2.2221 -1.3569 -1.3454 -0.2939 -0.2930 -0.0256 -0.0226 0.1891 0.1909 0.6165 0.6205 0.6388 0.6426 1.0428 1.0442 1.2968 1.3006 1.7656 1.7669 1.9079 1.9100 2.1315 2.1326 2.1427 2.1498 2.3626 2.3631 8.1701 8.1770 9.1207 9.1308 9.7599 9.7672 10.8493 10.8613 11.8299 11.8371 k = 0.4470 0.3805-0.0000 ( 4454 PWs) bands (ev): -16.0270 -16.0260 -15.5928 -15.5901 -15.0119 -15.0083 -14.4638 -14.4627 -14.4066 -14.4055 -14.3536 -14.3525 -5.9631 -5.9592 -4.8362 -4.8281 -3.4630 -3.4553 -2.3001 -2.2886 -2.2091 -2.2046 -1.3551 -1.3423 -0.2824 -0.2814 -0.0222 -0.0190 0.1785 0.1805 0.6115 0.6159 0.6279 0.6317 1.0545 1.0558 1.2804 1.2845 1.7683 1.7699 1.9085 1.9110 2.1334 2.1348 2.1438 2.1518 2.3654 2.3659 8.1866 8.1946 9.1080 9.1194 9.7602 9.7683 10.8670 10.8809 11.8123 11.8204 k = 0.4394 0.3936-0.0000 ( 4450 PWs) bands (ev): -16.0187 -16.0176 -15.5992 -15.5963 -15.0153 -15.0114 -14.4632 -14.4620 -14.4064 -14.4052 -14.3548 -14.3537 -5.9660 -5.9618 -4.8125 -4.8035 -3.5052 -3.4969 -2.2932 -2.2804 -2.1920 -2.1867 -1.3523 -1.3384 -0.2694 -0.2684 -0.0185 -0.0152 0.1667 0.1688 0.6052 0.6091 0.6186 0.6213 1.0660 1.0674 1.2627 1.2672 1.7715 1.7734 1.9087 1.9115 2.1356 2.1372 2.1453 2.1542 2.3684 2.3688 8.2056 8.2145 9.0934 9.1061 9.7606 9.7695 10.8876 10.9032 11.7924 11.8012 k = 0.4318 0.4068-0.0000 ( 4442 PWs) bands (ev): -16.0094 -16.0082 -15.6067 -15.6035 -15.0188 -15.0147 -14.4626 -14.4612 -14.4062 -14.4048 -14.3562 -14.3551 -5.9690 -5.9647 -4.7858 -4.7761 -3.5500 -3.5412 -2.2860 -2.2718 -2.1755 -2.1693 -1.3483 -1.3336 -0.2549 -0.2540 -0.0147 -0.0114 0.1539 0.1560 0.5974 0.5994 0.6117 0.6120 1.0772 1.0785 1.2442 1.2489 1.7753 1.7774 1.9083 1.9114 2.1380 2.1398 2.1473 2.1569 2.3714 2.3719 8.2270 8.2368 9.0770 9.0908 9.7611 9.7706 10.9108 10.9283 11.7705 11.7800 k = 0.4242 0.4199-0.0000 ( 4438 PWs) bands (ev): -15.9990 -15.9976 -15.6151 -15.6117 -15.0224 -15.0181 -14.4619 -14.4604 -14.4058 -14.4044 -14.3577 -14.3567 -5.9720 -5.9677 -4.7564 -4.7460 -3.5972 -3.5878 -2.2783 -2.2628 -2.1603 -2.1531 -1.3431 -1.3279 -0.2393 -0.2384 -0.0109 -0.0077 0.1402 0.1423 0.5881 0.5887 0.6039 0.6057 1.0878 1.0890 1.2252 1.2301 1.7797 1.7819 1.9073 1.9107 2.1405 2.1425 2.1495 2.1597 2.3745 2.3749 8.2506 8.2613 9.0587 9.0734 9.7617 9.7717 10.9368 10.9561 11.7468 11.7567 k = 0.4167 0.4330-0.0000 ( 4438 PWs) bands (ev): -15.9875 -15.9860 -15.6246 -15.6210 -15.0259 -15.0216 -14.4611 -14.4597 -14.4054 -14.4038 -14.3593 -14.3584 -5.9751 -5.9707 -4.7243 -4.7134 -3.6461 -3.6363 -2.2701 -2.2535 -2.1469 -2.1386 -1.3366 -1.3213 -0.2225 -0.2217 -0.0073 -0.0043 0.1259 0.1280 0.5783 0.5783 0.5964 0.5996 1.0975 1.0986 1.2063 1.2112 1.7845 1.7870 1.9056 1.9093 2.1431 2.1455 2.1521 2.1628 2.3776 2.3779 8.2765 8.2880 9.0385 9.0540 9.7624 9.7726 10.9655 10.9864 11.7214 11.7316 k = 0.4091 0.4461-0.0000 ( 4446 PWs) bands (ev): -15.9751 -15.9735 -15.6351 -15.6314 -15.0293 -15.0250 -14.4604 -14.4589 -14.4048 -14.4032 -14.3611 -14.3603 -5.9780 -5.9738 -4.6897 -4.6783 -3.6964 -3.6863 -2.2615 -2.2437 -2.1358 -2.1262 -1.3289 -1.3137 -0.2048 -0.2042 -0.0040 -0.0012 0.1111 0.1131 0.5685 0.5686 0.5891 0.5931 1.1061 1.1072 1.1877 1.1927 1.7899 1.7926 1.9034 1.9072 2.1458 2.1484 2.1549 2.1659 2.3806 2.3808 8.3045 8.3167 9.0163 9.0324 9.7632 9.7735 10.9967 11.0193 11.6945 11.7050 k = 0.4015 0.4593-0.0000 ( 4442 PWs) bands (ev): -15.9616 -15.9599 -15.6467 -15.6430 -15.0325 -15.0283 -14.4597 -14.4582 -14.4040 -14.4025 -14.3629 -14.3624 -5.9808 -5.9768 -4.6526 -4.6408 -3.7478 -3.7375 -2.2525 -2.2335 -2.1272 -2.1162 -1.3201 -1.3054 -0.1863 -0.1860 -0.0011 0.0013 0.0962 0.0980 0.5594 0.5595 0.5816 0.5862 1.1136 1.1147 1.1701 1.1749 1.7958 1.7987 1.9006 1.9045 2.1485 2.1515 2.1577 2.1689 2.3834 2.3836 8.3345 8.3474 8.9922 9.0088 9.7641 9.7742 11.0304 11.0545 11.6664 11.6771 k = 0.3939 0.4724-0.0000 ( 4450 PWs) bands (ev): -15.9472 -15.9453 -15.6595 -15.6557 -15.0354 -15.0314 -14.4590 -14.4575 -14.4031 -14.4016 -14.3649 -14.3646 -5.9835 -5.9797 -4.6132 -4.6012 -3.8002 -3.7896 -2.2431 -2.2230 -2.1213 -2.1088 -1.3104 -1.2965 -0.1673 -0.1673 0.0012 0.0030 0.0813 0.0829 0.5509 0.5515 0.5741 0.5790 1.1198 1.1207 1.1538 1.1584 1.8021 1.8052 1.8972 1.9012 2.1512 2.1545 2.1605 2.1719 2.3860 2.3861 8.3665 8.3800 8.9660 8.9829 9.7650 9.7749 11.0665 11.0920 11.6373 11.6482 k = 0.3864 0.4855-0.0000 ( 4454 PWs) bands (ev): -15.9318 -15.9298 -15.6734 -15.6696 -15.0380 -15.0343 -14.4583 -14.4570 -14.4020 -14.4006 -14.3669 -14.3669 -5.9859 -5.9824 -4.5717 -4.5594 -3.8531 -3.8424 -2.2334 -2.2122 -2.1180 -2.1039 -1.3002 -1.2874 -0.1483 -0.1479 0.0026 0.0040 0.0667 0.0679 0.5433 0.5445 0.5665 0.5715 1.1241 1.1246 1.1401 1.1440 1.8087 1.8120 1.8933 1.8973 2.1539 2.1575 2.1631 2.1747 2.3883 2.3884 8.4004 8.4143 8.9378 8.9549 9.7660 9.7753 11.1048 11.1316 11.6075 11.6185 k = 0.3788 0.4986-0.0000 ( 4454 PWs) bands (ev): -15.9155 -15.9134 -15.6883 -15.6847 -15.0403 -15.0370 -14.4577 -14.4565 -14.4008 -14.3994 -14.3694 -14.3690 -5.9880 -5.9849 -4.5281 -4.5157 -3.9066 -3.8957 -2.2234 -2.2012 -2.1172 -2.1015 -1.2898 -1.2783 -0.1291 -0.1284 0.0031 0.0039 0.0526 0.0535 0.5366 0.5386 0.5590 0.5639 1.1208 1.1228 1.1347 1.1358 1.8156 1.8190 1.8890 1.8930 2.1564 2.1603 2.1655 2.1772 2.3904 2.3905 8.4360 8.4503 8.9076 8.9247 9.7670 9.7756 11.1451 11.1730 11.5772 11.5883 k = 0.3712 0.5117-0.0000 ( 4454 PWs) bands (ev): -15.8983 -15.8960 -15.7044 -15.7008 -15.0422 -15.0393 -14.4572 -14.4561 -14.3993 -14.3981 -14.3719 -14.3711 -5.9899 -5.9872 -4.4827 -4.4702 -3.9603 -3.9493 -2.2133 -2.1901 -2.1188 -2.1014 -1.2797 -1.2698 -0.1101 -0.1088 0.0024 0.0026 0.0391 0.0396 0.5310 0.5339 0.5518 0.5563 1.1109 1.1137 1.1363 1.1363 1.8226 1.8262 1.8843 1.8883 2.1589 2.1629 2.1676 2.1793 2.3923 2.3923 8.4732 8.4878 8.8753 8.8922 9.7681 9.7757 11.1872 11.2159 11.5466 11.5579 k = 0.3636 0.5249-0.0000 ( 4454 PWs) bands (ev): -15.8803 -15.8779 -15.7216 -15.7181 -15.0436 -15.0412 -14.4568 -14.4558 -14.3978 -14.3966 -14.3744 -14.3732 -5.9914 -5.9892 -4.4355 -4.4229 -4.0142 -4.0032 -2.2033 -2.1790 -2.1223 -2.1034 -1.2703 -1.2621 -0.0913 -0.0895 -0.0000 0.0004 0.0267 0.0267 0.5264 0.5304 0.5452 0.5492 1.1018 1.1043 1.1382 1.1384 1.8297 1.8334 1.8793 1.8832 2.1611 2.1653 2.1692 2.1810 2.3937 2.3937 8.5120 8.5269 8.8409 8.8575 9.7691 9.7756 11.2308 11.2599 11.5161 11.5277 k = 0.3561 0.5380-0.0000 ( 4448 PWs) bands (ev): -15.8614 -15.8589 -15.7397 -15.7364 -15.0447 -15.0428 -14.4564 -14.4557 -14.3961 -14.3951 -14.3770 -14.3751 -5.9925 -5.9908 -4.3867 -4.3740 -4.0681 -4.0572 -2.1935 -2.1682 -2.1276 -2.1071 -1.2621 -1.2558 -0.0730 -0.0707 -0.0042 -0.0030 0.0149 0.0154 0.5228 0.5281 0.5396 0.5427 1.0947 1.0966 1.1397 1.1399 1.8367 1.8405 1.8740 1.8779 2.1631 2.1674 2.1703 2.1823 2.3949 2.3949 8.5523 8.5673 8.8044 8.8205 9.7702 9.7754 11.2752 11.3039 11.4859 11.4980 k = 0.3485 0.5511-0.0000 ( 4452 PWs) bands (ev): -15.8418 -15.8391 -15.7589 -15.7558 -15.0453 -15.0440 -14.4561 -14.4556 -14.3945 -14.3936 -14.3793 -14.3769 -5.9933 -5.9922 -4.3365 -4.3237 -4.1218 -4.1112 -2.1843 -2.1580 -2.1340 -2.1121 -1.2555 -1.2512 -0.0554 -0.0526 -0.0099 -0.0079 0.0045 0.0053 0.5203 0.5271 0.5353 0.5372 1.0897 1.0910 1.1408 1.1409 1.8436 1.8474 1.8685 1.8723 2.1649 2.1691 2.1709 2.1831 2.3957 2.3957 8.5938 8.6089 8.7658 8.7813 9.7713 9.7749 11.3196 11.3464 11.4562 11.4693 k = 0.3409 0.5642-0.0000 ( 4456 PWs) bands (ev): -15.8215 -15.8185 -15.7789 -15.7761 -15.0455 -15.0449 -14.4559 -14.4556 -14.3931 -14.3925 -14.3811 -14.3782 -5.9937 -5.9931 -4.2855 -4.2720 -4.1748 -4.1651 -2.1768 -2.1491 -2.1405 -2.1174 -1.2508 -1.2487 -0.0390 -0.0360 -0.0172 -0.0135 -0.0042 -0.0035 0.5187 0.5271 0.5325 0.5331 1.0869 1.0875 1.1413 1.1414 1.8501 1.8539 1.8629 1.8666 2.1662 2.1703 2.1709 2.1835 2.3962 2.3962 8.6363 8.6516 8.7253 8.7399 9.7723 9.7742 11.3623 11.3833 11.4274 11.4428 k = 0.3333 0.5774-0.0000 ( 4452 PWs) bands (ev): -15.8034 -15.7976 -15.7970 -15.7970 -15.0454 -15.0454 -14.4557 -14.4557 -14.3923 -14.3923 -14.3819 -14.3787 -5.9936 -5.9936 -4.2448 -4.2218 -4.2161 -4.2161 -2.1733 -2.1443 -2.1443 -2.1203 -1.2485 -1.2485 -0.0262 -0.0262 -0.0253 -0.0160 -0.0093 -0.0093 0.5182 0.5275 0.5315 0.5315 1.0861 1.0861 1.1415 1.1415 1.8547 1.8586 1.8586 1.8622 2.1668 2.1708 2.1708 2.1836 2.3964 2.3964 8.6721 8.6906 8.6906 8.7010 9.7733 9.7733 11.3995 11.3995 11.3997 11.4280 k = 0.3333 0.5774-0.0000 ( 4452 PWs) bands (ev): -15.8034 -15.7976 -15.7970 -15.7970 -15.0454 -15.0454 -14.4557 -14.4557 -14.3923 -14.3923 -14.3819 -14.3787 -5.9936 -5.9936 -4.2448 -4.2218 -4.2161 -4.2161 -2.1733 -2.1443 -2.1443 -2.1203 -1.2485 -1.2485 -0.0262 -0.0262 -0.0253 -0.0160 -0.0093 -0.0093 0.5182 0.5275 0.5315 0.5315 1.0861 1.0861 1.1415 1.1415 1.8547 1.8586 1.8586 1.8622 2.1668 2.1708 2.1708 2.1836 2.3964 2.3964 8.6721 8.6906 8.6906 8.7010 9.7733 9.7733 11.3995 11.3995 11.3997 11.4280 k = 0.3256 0.5639-0.0000 ( 4456 PWs) bands (ev): -15.8227 -15.8198 -15.7776 -15.7749 -15.0455 -15.0448 -14.4559 -14.4556 -14.3934 -14.3923 -14.3811 -14.3781 -5.9936 -5.9930 -4.2871 -4.2738 -4.1730 -4.1635 -2.1773 -2.1474 -2.1423 -2.1168 -1.2510 -1.2488 -0.0358 -0.0316 -0.0243 -0.0208 -0.0020 0.0012 0.5188 0.5273 0.5323 0.5333 1.0869 1.0875 1.1414 1.1414 1.8501 1.8538 1.8629 1.8665 2.1660 2.1704 2.1709 2.1836 2.3962 2.3962 8.6340 8.6483 8.7286 8.7421 9.7722 9.7743 11.3725 11.3814 11.4258 11.4317 k = 0.3178 0.5505-0.0000 ( 4446 PWs) bands (ev): -15.8457 -15.8431 -15.7548 -15.7518 -15.0454 -15.0440 -14.4561 -14.4555 -14.3954 -14.3932 -14.3792 -14.3764 -5.9933 -5.9920 -4.3407 -4.3283 -4.1172 -4.1071 -2.1866 -2.1559 -2.1361 -2.1095 -1.2565 -1.2519 -0.0472 -0.0410 -0.0286 -0.0262 0.0116 0.0159 0.5208 0.5282 0.5347 0.5371 1.0897 1.0908 1.1411 1.1412 1.8439 1.8476 1.8681 1.8716 2.1638 2.1689 2.1714 2.1835 2.3956 2.3958 8.5858 8.5990 8.7754 8.7888 9.7710 9.7752 11.3471 11.3582 11.4264 11.4349 k = 0.3101 0.5371-0.0000 ( 4446 PWs) bands (ev): -15.8695 -15.8671 -15.7313 -15.7282 -15.0450 -15.0429 -14.4563 -14.4555 -14.3978 -14.3947 -14.3766 -14.3739 -5.9924 -5.9905 -4.3945 -4.3826 -4.0598 -4.0497 -2.1983 -2.1664 -2.1290 -2.1015 -1.2651 -1.2582 -0.0599 -0.0524 -0.0321 -0.0296 0.0254 0.0302 0.5242 0.5306 0.5387 0.5423 1.0945 1.0960 1.1408 1.1409 1.8375 1.8413 1.8727 1.8760 2.1604 2.1662 2.1720 2.1835 2.3948 2.3950 8.5351 8.5473 8.8234 8.8364 9.7696 9.7762 11.3234 11.3358 11.4136 11.4309 k = 0.3023 0.5236-0.0000 ( 4454 PWs) bands (ev): -15.8938 -15.8917 -15.7072 -15.7040 -15.0443 -15.0415 -14.4566 -14.4554 -14.4003 -14.3964 -14.3737 -14.3709 -5.9910 -5.9886 -4.4481 -4.4364 -4.0014 -3.9914 -2.2111 -2.1780 -2.1220 -2.0939 -1.2768 -1.2676 -0.0736 -0.0651 -0.0341 -0.0312 0.0387 0.0438 0.5290 0.5348 0.5439 0.5485 1.1011 1.1028 1.1406 1.1407 1.8311 1.8349 1.8765 1.8796 2.1560 2.1624 2.1725 2.1836 2.3936 2.3939 8.4820 8.4932 8.8722 8.8848 9.7682 9.7772 11.3018 11.3153 11.3981 11.4206 k = 0.2946 0.5102-0.0000 ( 4454 PWs) bands (ev): -15.9187 -15.9167 -15.6827 -15.6793 -15.0434 -15.0399 -14.4568 -14.4554 -14.4028 -14.3981 -14.3705 -14.3676 -5.9892 -5.9861 -4.5013 -4.4899 -3.9422 -3.9325 -2.2245 -2.1902 -2.1155 -2.0869 -1.2916 -1.2801 -0.0881 -0.0786 -0.0346 -0.0311 0.0514 0.0567 0.5352 0.5405 0.5503 0.5557 1.1094 1.1110 1.1406 1.1407 1.8247 1.8285 1.8795 1.8822 2.1507 2.1575 2.1729 2.1837 2.3921 2.3925 8.4266 8.4370 8.9218 8.9337 9.7668 9.7782 11.2823 11.2969 11.3823 11.4082 k = 0.2868 0.4968-0.0000 ( 4454 PWs) bands (ev): -15.9440 -15.9422 -15.6578 -15.6543 -15.0424 -15.0382 -14.4569 -14.4553 -14.4052 -14.3998 -14.3671 -14.3640 -5.9868 -5.9832 -4.5541 -4.5429 -3.8823 -3.8729 -2.2383 -2.2028 -2.1099 -2.0808 -1.3095 -1.2958 -0.1030 -0.0927 -0.0336 -0.0293 0.0637 0.0690 0.5426 0.5476 0.5577 0.5638 1.1191 1.1203 1.1409 1.1415 1.8182 1.8222 1.8814 1.8838 2.1444 2.1515 2.1733 2.1839 2.3903 2.3908 8.3691 8.3785 8.9719 8.9831 9.7656 9.7794 11.2650 11.2807 11.3674 11.3958 k = 0.2791 0.4834-0.0000 ( 4454 PWs) bands (ev): -15.9697 -15.9681 -15.6325 -15.6289 -15.0413 -15.0364 -14.4570 -14.4551 -14.4075 -14.4014 -14.3635 -14.3602 -5.9840 -5.9798 -4.6064 -4.5954 -3.8219 -3.8128 -2.2523 -2.2156 -2.1052 -2.0758 -1.3303 -1.3144 -0.1181 -0.1068 -0.0312 -0.0262 0.0757 0.0809 0.5509 0.5557 0.5660 0.5727 1.1292 1.1296 1.1420 1.1441 1.8119 1.8160 1.8821 1.8841 2.1372 2.1446 2.1737 2.1841 2.3882 2.3888 8.3094 8.3179 9.0223 9.0328 9.7647 9.7809 11.2501 11.2668 11.3540 11.3844 k = 0.2713 0.4699-0.0000 ( 4446 PWs) bands (ev): -15.9956 -15.9941 -15.6069 -15.6032 -15.0401 -15.0346 -14.4570 -14.4548 -14.4096 -14.4028 -14.3599 -14.3563 -5.9807 -5.9759 -4.6582 -4.6474 -3.7610 -3.7523 -2.2663 -2.2285 -2.1015 -2.0719 -1.3539 -1.3359 -0.1329 -0.1209 -0.0276 -0.0218 0.0875 0.0925 0.5598 0.5647 0.5752 0.5823 1.1350 1.1376 1.1472 1.1512 1.8056 1.8100 1.8817 1.8832 2.1291 2.1367 2.1744 2.1845 2.3858 2.3866 8.2477 8.2553 9.0731 9.0827 9.7641 9.7826 11.2376 11.2553 11.3425 11.3744 k = 0.2636 0.4565-0.0000 ( 4442 PWs) bands (ev): -16.0216 -16.0203 -15.5811 -15.5773 -15.0388 -15.0327 -14.4569 -14.4544 -14.4114 -14.4041 -14.3561 -14.3522 -5.9769 -5.9715 -4.7094 -4.6989 -3.6999 -3.6914 -2.2802 -2.2414 -2.0989 -2.0692 -1.3799 -1.3599 -0.1474 -0.1346 -0.0230 -0.0165 0.0992 0.1039 0.5690 0.5742 0.5853 0.5927 1.1377 1.1402 1.1592 1.1630 1.7994 1.8041 1.8799 1.8809 2.1201 2.1280 2.1752 2.1851 2.3832 2.3841 8.1839 8.1907 9.1240 9.1327 9.7640 9.7848 11.2274 11.2460 11.3330 11.3661 k = 0.2558 0.4431-0.0000 ( 4452 PWs) bands (ev): -16.0478 -16.0466 -15.5551 -15.5513 -15.0376 -15.0309 -14.4567 -14.4539 -14.4130 -14.4051 -14.3522 -14.3481 -5.9726 -5.9667 -4.7601 -4.7498 -3.6385 -3.6304 -2.2940 -2.2543 -2.0975 -2.0676 -1.4082 -1.3863 -0.1613 -0.1477 -0.0176 -0.0104 0.1109 0.1152 0.5783 0.5839 0.5965 0.6040 1.1393 1.1417 1.1736 1.1768 1.7934 1.7984 1.8768 1.8771 2.1102 2.1184 2.1763 2.1860 2.3803 2.3814 8.1182 8.1243 9.1748 9.1826 9.7646 9.7875 11.2195 11.2389 11.3256 11.3596 k = 0.2481 0.4297-0.0000 ( 4452 PWs) bands (ev): -16.0739 -16.0729 -15.5291 -15.5253 -15.0364 -15.0292 -14.4563 -14.4533 -14.4143 -14.4059 -14.3482 -14.3439 -5.9679 -5.9615 -4.8101 -4.8002 -3.5770 -3.5692 -2.3077 -2.2670 -2.0971 -2.0673 -1.4386 -1.4149 -0.1744 -0.1600 -0.0117 -0.0038 0.1226 0.1265 0.5873 0.5935 0.6088 0.6163 1.1410 1.1432 1.1891 1.1919 1.7876 1.7930 1.8718 1.8721 2.0995 2.1081 2.1777 2.1872 2.3772 2.3784 8.0507 8.0560 9.2255 9.2323 9.7660 9.7909 11.2138 11.2339 11.3205 11.3551 k = 0.2403 0.4162-0.0000 ( 4444 PWs) bands (ev): -16.1000 -16.0991 -15.5032 -15.4992 -15.0353 -15.0276 -14.4557 -14.4524 -14.4153 -14.4065 -14.3441 -14.3396 -5.9627 -5.9559 -4.8595 -4.8498 -3.5155 -3.5080 -2.3212 -2.2796 -2.0980 -2.0682 -1.4706 -1.4452 -0.1864 -0.1714 -0.0054 0.0031 0.1343 0.1378 0.5958 0.6028 0.6224 0.6297 1.1428 1.1451 1.2054 1.2077 1.7820 1.7879 1.8650 1.8659 2.0882 2.0971 2.1796 2.1887 2.3738 2.3752 7.9814 7.9861 9.2759 9.2817 9.7684 9.7950 11.2103 11.2310 11.3174 11.3525 k = 0.2326 0.4028-0.0000 ( 4452 PWs) bands (ev): -16.1260 -16.1251 -15.4773 -15.4733 -15.0343 -15.0262 -14.4549 -14.4514 -14.4161 -14.4068 -14.3400 -14.3352 -5.9571 -5.9499 -4.9082 -4.8989 -3.4540 -3.4469 -2.3343 -2.2920 -2.0999 -2.0703 -1.5040 -1.4771 -0.1974 -0.1817 0.0010 0.0100 0.1457 0.1490 0.6037 0.6115 0.6373 0.6444 1.1450 1.1473 1.2222 1.2241 1.7766 1.7830 1.8565 1.8582 2.0762 2.0854 2.1818 2.1906 2.3702 2.3717 7.9106 7.9146 9.3258 9.3306 9.7719 9.8001 11.2087 11.2299 11.3165 11.3518 k = 0.2248 0.3894-0.0000 ( 4458 PWs) bands (ev): -16.1517 -16.1509 -15.4516 -15.4476 -15.0334 -15.0249 -14.4538 -14.4501 -14.4164 -14.4068 -14.3359 -14.3308 -5.9512 -5.9436 -4.9562 -4.9472 -3.3926 -3.3859 -2.3472 -2.3042 -2.1029 -2.0736 -1.5386 -1.5102 -0.2071 -0.1909 0.0073 0.0166 0.1569 0.1598 0.6107 0.6194 0.6538 0.6605 1.1477 1.1501 1.2394 1.2408 1.7715 1.7786 1.8466 1.8490 2.0636 2.0733 2.1844 2.1930 2.3664 2.3680 7.8382 7.8417 9.3751 9.3789 9.7766 9.8062 11.2089 11.2305 11.3176 11.3530 k = 0.2171 0.3759-0.0000 ( 4466 PWs) bands (ev): -16.1771 -16.1764 -15.4261 -15.4221 -15.0327 -15.0239 -14.4526 -14.4486 -14.4165 -14.4066 -14.3317 -14.3263 -5.9448 -5.9369 -5.0034 -4.9947 -3.3315 -3.3251 -2.3598 -2.3162 -2.1070 -2.0779 -1.5740 -1.5442 -0.2156 -0.1988 0.0134 0.0230 0.1675 0.1702 0.6167 0.6265 0.6718 0.6780 1.1512 1.1537 1.2567 1.2577 1.7668 1.7745 1.8351 1.8382 2.0506 2.0607 2.1874 2.1957 2.3624 2.3641 7.7645 7.7675 9.4236 9.4265 9.7827 9.8135 11.2109 11.2327 11.3205 11.3559 k = 0.2093 0.3625-0.0000 ( 4470 PWs) bands (ev): -16.2022 -16.2016 -15.4010 -15.3970 -15.0321 -15.0230 -14.4511 -14.4469 -14.4162 -14.4061 -14.3274 -14.3219 -5.9382 -5.9299 -5.0499 -5.0415 -3.2707 -3.2646 -2.3721 -2.3279 -2.1120 -2.0833 -1.6099 -1.5790 -0.2226 -0.2054 0.0192 0.0288 0.1774 0.1800 0.6217 0.6325 0.6912 0.6970 1.1557 1.1582 1.2739 1.2745 1.7624 1.7708 1.8222 1.8260 2.0373 2.0479 2.1907 2.1987 2.3583 2.3600 7.6897 7.6921 9.4712 9.4731 9.7903 9.8219 11.2143 11.2365 11.3252 11.3606 k = 0.2016 0.3491-0.0000 ( 4476 PWs) bands (ev): -16.2268 -16.2263 -15.3764 -15.3723 -15.0317 -15.0224 -14.4492 -14.4449 -14.4156 -14.4053 -14.3232 -14.3174 -5.9312 -5.9227 -5.0955 -5.0875 -3.2102 -3.2045 -2.3841 -2.3395 -2.1179 -2.0896 -1.6461 -1.6141 -0.2282 -0.2106 0.0245 0.0340 0.1864 0.1889 0.6256 0.6373 0.7119 0.7171 1.1615 1.1641 1.2907 1.2910 1.7583 1.7676 1.8079 1.8123 2.0238 2.0349 2.1943 2.2020 2.3539 2.3558 7.6138 7.6158 9.5177 9.5187 9.7993 9.8316 11.2192 11.2415 11.3316 11.3668 k = 0.1938 0.3357-0.0000 ( 4472 PWs) bands (ev): -16.2510 -16.2505 -15.3522 -15.3482 -15.0314 -15.0221 -14.4472 -14.4426 -14.4146 -14.4042 -14.3189 -14.3128 -5.9240 -5.9153 -5.1402 -5.1326 -3.1503 -3.1449 -2.3957 -2.3508 -2.1246 -2.0968 -1.6823 -1.6494 -0.2323 -0.2143 0.0292 0.0386 0.1944 0.1968 0.6282 0.6408 0.7336 0.7381 1.1691 1.1716 1.3069 1.3069 1.7548 1.7649 1.7924 1.7974 2.0102 2.0220 2.1981 2.2055 2.3495 2.3513 7.5370 7.5388 9.5629 9.5632 9.8099 9.8425 11.2254 11.2478 11.3394 11.3744 k = 0.1860 0.3222-0.0000 ( 4472 PWs) bands (ev): -16.2747 -16.2742 -15.3287 -15.3247 -15.0314 -15.0219 -14.4448 -14.4401 -14.4134 -14.4030 -14.3146 -14.3083 -5.9165 -5.9076 -5.1840 -5.1767 -3.0909 -3.0859 -2.4070 -2.3619 -2.1319 -2.1047 -1.7182 -1.6846 -0.2349 -0.2166 0.0333 0.0425 0.2011 0.2036 0.6296 0.6431 0.7557 0.7594 1.1789 1.1814 1.3221 1.3223 1.7517 1.7627 1.7757 1.7814 1.9968 2.0091 2.2021 2.2091 2.3449 2.3468 7.4597 7.4611 9.6063 9.6068 9.8219 9.8547 11.2327 11.2553 11.3485 11.3834 k = 0.1783 0.3088-0.0000 ( 4472 PWs) bands (ev): -16.2977 -16.2974 -15.3058 -15.3018 -15.0315 -15.0220 -14.4421 -14.4372 -14.4118 -14.4014 -14.3102 -14.3038 -5.9089 -5.8998 -5.2268 -5.2198 -3.0322 -3.0275 -2.4180 -2.3729 -2.1399 -2.1133 -1.7536 -1.7194 -0.2359 -0.2174 0.0367 0.0455 0.2067 0.2092 0.6296 0.6440 0.7777 0.7807 1.1916 1.1940 1.3362 1.3365 1.7491 1.7571 1.7621 1.7643 1.9836 1.9965 2.2060 2.2128 2.3402 2.3421 7.3819 7.3830 9.6479 9.6490 9.8354 9.8681 11.2412 11.2638 11.3589 11.3936 k = 0.1705 0.2954-0.0000 ( 4468 PWs) bands (ev): -16.3201 -16.3198 -15.2836 -15.2797 -15.0318 -15.0223 -14.4392 -14.4341 -14.4100 -14.3997 -14.3059 -14.2992 -5.9011 -5.8920 -5.2686 -5.2619 -2.9742 -2.9700 -2.4286 -2.3837 -2.1484 -2.1225 -1.7883 -1.7537 -0.2353 -0.2166 0.0394 0.0478 0.2109 0.2136 0.6284 0.6436 0.7990 0.8011 1.2076 1.2099 1.3489 1.3494 1.7389 1.7443 1.7491 1.7609 1.9707 1.9844 2.2100 2.2165 2.3354 2.3373 7.3039 7.3048 9.6879 9.6896 9.8503 9.8826 11.2508 11.2734 11.3703 11.4048 k = 0.1628 0.2820-0.0000 ( 4472 PWs) bands (ev): -16.3419 -16.3416 -15.2623 -15.2585 -15.0322 -15.0229 -14.4359 -14.4308 -14.4078 -14.3977 -14.3015 -14.2947 -5.8932 -5.8840 -5.3092 -5.3029 -2.9171 -2.9133 -2.4389 -2.3944 -2.1573 -2.1321 -1.8221 -1.7873 -0.2332 -0.2143 0.0414 0.0493 0.2139 0.2167 0.6258 0.6417 0.8190 0.8202 1.2275 1.2295 1.3602 1.3607 1.7194 1.7265 1.7469 1.7609 1.9584 1.9727 2.2139 2.2202 2.3306 2.3325 7.2259 7.2266 9.7262 9.7282 9.8664 9.8981 11.2615 11.2840 11.3827 11.4171 k = 0.1550 0.2685-0.0000 ( 4478 PWs) bands (ev): -16.3629 -16.3627 -15.2419 -15.2381 -15.0328 -15.0236 -14.4324 -14.4272 -14.4055 -14.3956 -14.2972 -14.2902 -5.8852 -5.8760 -5.3486 -5.3427 -2.8610 -2.8576 -2.4489 -2.4050 -2.1665 -2.1421 -1.8548 -1.8199 -0.2296 -0.2106 0.0426 0.0499 0.2156 0.2185 0.6220 0.6384 0.8373 0.8375 1.2513 1.2532 1.3696 1.3701 1.6991 1.7067 1.7467 1.7618 1.9468 1.9617 2.2178 2.2237 2.3258 2.3277 7.1482 7.1487 9.7625 9.7648 9.8837 9.9144 11.2735 11.2957 11.3961 11.4303 k = 0.1473 0.2551-0.0000 ( 4474 PWs) bands (ev): -16.3832 -16.3829 -15.2223 -15.2187 -15.0336 -15.0245 -14.4287 -14.4235 -14.4029 -14.3934 -14.2928 -14.2857 -5.8772 -5.8681 -5.3868 -5.3813 -2.8060 -2.8032 -2.4584 -2.4154 -2.1759 -2.1523 -1.8862 -1.8515 -0.2244 -0.2053 0.0430 0.0498 0.2160 0.2190 0.6168 0.6338 0.8528 0.8536 1.2792 1.2808 1.3771 1.3776 1.6784 1.6864 1.7476 1.7636 1.9359 1.9515 2.2214 2.2272 2.3211 2.3229 7.0709 7.0714 9.7968 9.7992 9.9018 9.9313 11.2867 11.3086 11.4103 11.4444 k = 0.1395 0.2417-0.0000 ( 4482 PWs) bands (ev): -16.4026 -16.4024 -15.2038 -15.2003 -15.0344 -15.0256 -14.4248 -14.4196 -14.4001 -14.3910 -14.2884 -14.2813 -5.8692 -5.8602 -5.4237 -5.4185 -2.7522 -2.7501 -2.4674 -2.4258 -2.1853 -2.1627 -1.9162 -1.8818 -0.2177 -0.1985 0.0427 0.0490 0.2151 0.2182 0.6103 0.6278 0.8663 0.8681 1.3107 1.3121 1.3826 1.3831 1.6572 1.6655 1.7495 1.7664 1.9258 1.9420 2.2249 2.2304 2.3164 2.3181 6.9945 6.9948 9.8290 9.8313 9.9207 9.9487 11.3013 11.3227 11.4254 11.4592 k = 0.1318 0.2283-0.0000 ( 4487 PWs) bands (ev): -16.4212 -16.4210 -15.1863 -15.1829 -15.0353 -15.0268 -14.4207 -14.4156 -14.3971 -14.3885 -14.2840 -14.2768 -5.8613 -5.8524 -5.4592 -5.4544 -2.6999 -2.6988 -2.4756 -2.4360 -2.1948 -2.1730 -1.9446 -1.9109 -0.2095 -0.1904 0.0418 0.0476 0.2129 0.2160 0.6025 0.6204 0.8783 0.8809 1.3451 1.3464 1.3863 1.3866 1.6358 1.6444 1.7524 1.7701 1.9167 1.9334 2.2283 2.2335 2.3118 2.3134 6.9192 6.9194 9.8590 9.8611 9.9400 9.9662 11.3175 11.3381 11.4413 11.4748 k = 0.1240 0.2148-0.0000 ( 4491 PWs) bands (ev): -16.4389 -16.4387 -15.1698 -15.1666 -15.0363 -15.0281 -14.4165 -14.4115 -14.3940 -14.3859 -14.2796 -14.2724 -5.8535 -5.8448 -5.4933 -5.4887 -2.6499 -2.6492 -2.4827 -2.4460 -2.2042 -2.1833 -1.9713 -1.9385 -0.1999 -0.1808 0.0402 0.0456 0.2094 0.2124 0.5935 0.6116 0.8891 0.8925 1.3791 1.3813 1.3896 1.3906 1.6146 1.6233 1.7563 1.7747 1.9083 1.9256 2.2314 2.2364 2.3073 2.3088 6.8452 6.8454 9.8867 9.8884 9.9595 9.9837 11.3353 11.3551 11.4579 11.4910 k = 0.1163 0.2014-0.0000 ( 4493 PWs) bands (ev): -16.4557 -16.4556 -15.1544 -15.1513 -15.0374 -15.0296 -14.4122 -14.4074 -14.3907 -14.3833 -14.2753 -14.2681 -5.8458 -5.8374 -5.5257 -5.5215 -2.6045 -2.6006 -2.4875 -2.4555 -2.2134 -2.1934 -1.9962 -1.9645 -0.1889 -0.1700 0.0382 0.0432 0.2046 0.2075 0.5833 0.6016 0.8991 0.9033 1.3856 1.3867 1.4213 1.4215 1.5942 1.6028 1.7611 1.7800 1.9009 1.9186 2.2344 2.2392 2.3030 2.3044 6.7730 6.7731 9.9121 9.9133 9.9787 10.0009 11.3549 11.3736 11.4753 11.5078 k = 0.1085 0.1880-0.0000 ( 4489 PWs) bands (ev): -16.4715 -16.4714 -15.1401 -15.1372 -15.0385 -15.0311 -14.4079 -14.4035 -14.3874 -14.3807 -14.2709 -14.2639 -5.8383 -5.8303 -5.5566 -5.5527 -2.5667 -2.5550 -2.4863 -2.4639 -2.2222 -2.2031 -2.0193 -1.9890 -0.1766 -0.1579 0.0358 0.0405 0.1986 0.2013 0.5719 0.5903 0.9088 0.9137 1.3839 1.3848 1.4574 1.4583 1.5762 1.5842 1.7667 1.7860 1.8943 1.9124 2.2373 2.2418 2.2988 2.3001 6.7028 6.7029 9.9351 9.9359 9.9975 10.0175 11.3763 11.3938 11.4933 11.5252 k = 0.1008 0.1745-0.0000 ( 4493 PWs) bands (ev): -16.4864 -16.4863 -15.1269 -15.1241 -15.0396 -15.0326 -14.4036 -14.3996 -14.3839 -14.3781 -14.2666 -14.2597 -5.8311 -5.8234 -5.5857 -5.5822 -2.5448 -2.5160 -2.4708 -2.4677 -2.2307 -2.2124 -2.0406 -2.0118 -0.1632 -0.1447 0.0332 0.0375 0.1913 0.1939 0.5595 0.5779 0.9186 0.9241 1.3805 1.3813 1.4859 1.4892 1.5664 1.5720 1.7729 1.7925 1.8885 1.9069 2.2401 2.2443 2.2949 2.2961 6.6351 6.6351 9.9558 9.9563 10.0154 10.0334 11.3995 11.4157 11.5118 11.5429 k = 0.0930 0.1611-0.0000 ( 4493 PWs) bands (ev): -16.5003 -16.5002 -15.1147 -15.1122 -15.0407 -15.0342 -14.3995 -14.3959 -14.3805 -14.3755 -14.2624 -14.2557 -5.8242 -5.8169 -5.6131 -5.6098 -2.5399 -2.5000 -2.4507 -2.4403 -2.2385 -2.2211 -2.0599 -2.0329 -0.1487 -0.1306 0.0304 0.0344 0.1831 0.1854 0.5461 0.5643 0.9287 0.9347 1.3760 1.3768 1.4931 1.5007 1.5777 1.5790 1.7795 1.7993 1.8835 1.9021 2.2427 2.2467 2.2913 2.2923 6.5701 6.5701 9.9743 9.9745 10.0323 10.0482 11.4245 11.4392 11.5309 11.5609 k = 0.0853 0.1477-0.0000 ( 4489 PWs) bands (ev): -16.5131 -16.5130 -15.1037 -15.1013 -15.0418 -15.0357 -14.3955 -14.3925 -14.3771 -14.3729 -14.2582 -14.2518 -5.8176 -5.8108 -5.6386 -5.6356 -2.5422 -2.5040 -2.4163 -2.4047 -2.2457 -2.2289 -2.0772 -2.0523 -0.1333 -0.1156 0.0275 0.0312 0.1738 0.1759 0.5318 0.5499 0.9393 0.9457 1.3707 1.3715 1.4813 1.4908 1.6068 1.6074 1.7864 1.8063 1.8790 1.8979 2.2454 2.2490 2.2879 2.2888 6.5082 6.5082 9.9907 9.9907 10.0479 10.0618 11.4510 11.4642 11.5501 11.5790 k = 0.0775 0.1343-0.0000 ( 4485 PWs) bands (ev): -16.5249 -16.5249 -15.0937 -15.0915 -15.0428 -15.0372 -14.3917 -14.3893 -14.3738 -14.3705 -14.2541 -14.2481 -5.8114 -5.8051 -5.6621 -5.6595 -2.5466 -2.5117 -2.3811 -2.3696 -2.2518 -2.2355 -2.0926 -2.0700 -0.1172 -0.1000 0.0246 0.0282 0.1639 0.1657 0.5170 0.5346 0.9504 0.9572 1.3649 1.3657 1.4632 1.4732 1.6410 1.6421 1.7934 1.8133 1.8752 1.8942 2.2480 2.2513 2.2848 2.2855 6.4499 6.4499 10.0049 10.0051 10.0620 10.0742 11.4788 11.4905 11.5695 11.5970 k = 0.0698 0.1208-0.0000 ( 4489 PWs) bands (ev): -16.5357 -16.5356 -15.0847 -15.0828 -15.0437 -15.0387 -14.3882 -14.3863 -14.3707 -14.3681 -14.2502 -14.2446 -5.8057 -5.7998 -5.6837 -5.6813 -2.5515 -2.5201 -2.3491 -2.3375 -2.2560 -2.2402 -2.1061 -2.0859 -0.1006 -0.0841 0.0219 0.0254 0.1536 0.1550 0.5016 0.5187 0.9620 0.9691 1.3589 1.3597 1.4435 1.4535 1.6755 1.6769 1.8004 1.8201 1.8719 1.8909 2.2507 2.2537 2.2820 2.2826 6.3956 6.3956 10.0173 10.0175 10.0746 10.0852 11.5074 11.5175 11.5887 11.6146 k = 0.0620 0.1074-0.0000 ( 4481 PWs) bands (ev): -16.5453 -16.5453 -15.0768 -15.0750 -15.0446 -15.0401 -14.3850 -14.3836 -14.3678 -14.3658 -14.2466 -14.2414 -5.8003 -5.7950 -5.7031 -5.7010 -2.5563 -2.5283 -2.3226 -2.3114 -2.2563 -2.2416 -2.1176 -2.1000 -0.0837 -0.0680 0.0195 0.0228 0.1430 0.1442 0.4861 0.5025 0.9741 0.9813 1.3530 1.3537 1.4237 1.4334 1.7082 1.7099 1.8074 1.8265 1.8691 1.8880 2.2533 2.2560 2.2795 2.2799 6.3456 6.3456 10.0279 10.0281 10.0858 10.0949 11.5363 11.5450 11.6075 11.6315 k = 0.0543 0.0940-0.0000 ( 4481 PWs) bands (ev): -16.5539 -16.5538 -15.0699 -15.0683 -15.0453 -15.0414 -14.3822 -14.3812 -14.3651 -14.3637 -14.2431 -14.2385 -5.7955 -5.7908 -5.7204 -5.7186 -2.5607 -2.5361 -2.3043 -2.2960 -2.2482 -2.2375 -2.1270 -2.1122 -0.0668 -0.0523 0.0173 0.0206 0.1326 0.1334 0.4707 0.4862 0.9865 0.9937 1.3473 1.3480 1.4043 1.4137 1.7380 1.7401 1.8143 1.8326 1.8667 1.8854 2.2560 2.2583 2.2773 2.2776 6.3003 6.3003 10.0369 10.0371 10.0954 10.1031 11.5648 11.5720 11.6256 11.6474 k = 0.0465 0.0806-0.0000 ( 4493 PWs) bands (ev): -16.5613 -16.5613 -15.0640 -15.0625 -15.0460 -15.0427 -14.3798 -14.3791 -14.3627 -14.3618 -14.2399 -14.2359 -5.7912 -5.7871 -5.7356 -5.7340 -2.5646 -2.5434 -2.2954 -2.2918 -2.2319 -2.2271 -2.1343 -2.1225 -0.0503 -0.0372 0.0156 0.0188 0.1226 0.1231 0.4559 0.4702 0.9990 1.0059 1.3420 1.3427 1.3860 1.3949 1.7642 1.7669 1.8213 1.8382 1.8649 1.8829 2.2586 2.2605 2.2755 2.2756 6.2601 6.2602 10.0444 10.0446 10.1036 10.1100 11.5922 11.5979 11.6427 11.6619 k = 0.0388 0.0671-0.0000 ( 4493 PWs) bands (ev): -16.5676 -16.5676 -15.0590 -15.0577 -15.0465 -15.0438 -14.3777 -14.3773 -14.3606 -14.3601 -14.2371 -14.2337 -5.7874 -5.7841 -5.7485 -5.7471 -2.5677 -2.5501 -2.2930 -2.2923 -2.2143 -2.2137 -2.1393 -2.1306 -0.0347 -0.0234 0.0142 0.0175 0.1133 0.1136 0.4421 0.4549 1.0111 1.0176 1.3373 1.3380 1.3691 1.3773 1.7859 1.7897 1.8286 1.8431 1.8637 1.8806 2.2611 2.2626 2.2740 2.2740 6.2255 6.2255 10.0505 10.0506 10.1105 10.1157 11.6174 11.6218 11.6585 11.6749 k = 0.0310 0.0537-0.0000 ( 4495 PWs) bands (ev): -16.5728 -16.5728 -15.0549 -15.0538 -15.0468 -15.0447 -14.3760 -14.3758 -14.3589 -14.3586 -14.2347 -14.2319 -5.7843 -5.7816 -5.7590 -5.7579 -2.5701 -2.5559 -2.2939 -2.2934 -2.2016 -2.1994 -2.1417 -2.1363 -0.0204 -0.0114 0.0132 0.0167 0.1051 0.1052 0.4299 0.4408 1.0224 1.0282 1.3333 1.3340 1.3542 1.3615 1.8026 1.8079 1.8366 1.8472 1.8635 1.8783 2.2633 2.2643 2.2728 2.2730 6.1966 6.1966 10.0553 10.0554 10.1160 10.1201 11.6396 11.6426 11.6727 11.6859 k = 0.0233 0.0403-0.0000 ( 4505 PWs) bands (ev): -16.5768 -16.5768 -15.0518 -15.0508 -15.0470 -15.0456 -14.3747 -14.3746 -14.3576 -14.3575 -14.2326 -14.2305 -5.7817 -5.7798 -5.7673 -5.7663 -2.5716 -2.5610 -2.2956 -2.2947 -2.1926 -2.1891 -2.1416 -2.1390 -0.0080 -0.0019 0.0127 0.0166 0.0982 0.0983 0.4199 0.4286 1.0325 1.0372 1.3301 1.3308 1.3420 1.3480 1.8143 1.8209 1.8448 1.8508 1.8644 1.8761 2.2651 2.2656 2.2720 2.2724 6.1738 6.1738 10.0590 10.0590 10.1204 10.1234 11.6578 11.6595 11.6850 11.6947 k = 0.0155 0.0269-0.0000 ( 4493 PWs) bands (ev): -16.5797 -16.5797 -15.0497 -15.0488 -15.0469 -15.0462 -14.3738 -14.3738 -14.3566 -14.3566 -14.2310 -14.2296 -5.7798 -5.7786 -5.7731 -5.7723 -2.5722 -2.5651 -2.2968 -2.2961 -2.1871 -2.1836 -2.1399 -2.1391 0.0015 0.0043 0.0129 0.0171 0.0931 0.0931 0.4127 0.4188 1.0406 1.0440 1.3277 1.3284 1.3329 1.3375 1.8220 1.8283 1.8521 1.8542 1.8661 1.8740 2.2663 2.2664 2.2717 2.2722 6.1574 6.1574 10.0615 10.0615 10.1236 10.1255 11.6711 11.6717 11.6950 11.7011 k = 0.0078 0.0134-0.0000 ( 4493 PWs) bands (ev): -16.5814 -16.5814 -15.0485 -15.0478 -15.0467 -15.0466 -14.3732 -14.3732 -14.3561 -14.3561 -14.2299 -14.2292 -5.7786 -5.7783 -5.7764 -5.7758 -2.5718 -2.5683 -2.2975 -2.2971 -2.1839 -2.1818 -2.1381 -2.1380 0.0070 0.0074 0.0143 0.0175 0.0898 0.0899 0.4088 0.4119 1.0462 1.0480 1.3259 1.3263 1.3283 1.3307 1.8270 1.8308 1.8569 1.8572 1.8681 1.8719 2.2668 2.2668 2.2718 2.2721 6.1475 6.1475 10.0630 10.0630 10.1256 10.1266 11.6791 11.6792 11.7019 11.7048 k = 0.0000 0.0000 0.0000 ( 4493 PWs) bands (ev): -16.5820 -16.5820 -15.0479 -15.0479 -15.0465 -15.0465 -14.3731 -14.3731 -14.3559 -14.3559 -14.2293 -14.2293 -5.7786 -5.7786 -5.7769 -5.7769 -2.5706 -2.5706 -2.2976 -2.2976 -2.1822 -2.1822 -2.1374 -2.1374 0.0083 0.0083 0.0166 0.0166 0.0888 0.0888 0.4085 0.4085 1.0488 1.0488 1.3250 1.3250 1.3280 1.3280 1.8300 1.8300 1.8585 1.8585 1.8700 1.8700 2.2669 2.2669 2.2720 2.2720 6.1441 6.1441 10.0635 10.0635 10.1267 10.1267 11.6817 11.6817 11.7052 11.7052 k = 0.0000 0.0000 0.0000 ( 4493 PWs) bands (ev): -16.5820 -16.5820 -15.0479 -15.0479 -15.0465 -15.0465 -14.3731 -14.3731 -14.3559 -14.3559 -14.2293 -14.2293 -5.7786 -5.7786 -5.7769 -5.7769 -2.5706 -2.5706 -2.2976 -2.2976 -2.1822 -2.1822 -2.1374 -2.1374 0.0083 0.0083 0.0166 0.0166 0.0888 0.0888 0.4085 0.4085 1.0488 1.0488 1.3250 1.3250 1.3280 1.3280 1.8300 1.8300 1.8585 1.8585 1.8700 1.8700 2.2669 2.2669 2.2720 2.2720 6.1441 6.1441 10.0635 10.0635 10.1267 10.1267 11.6817 11.6817 11.7052 11.7052 k = 0.0000 0.0000 0.0158 ( 4493 PWs) bands (ev): -16.5814 -16.5814 -15.0855 -15.0842 -15.0109 -15.0095 -14.3733 -14.3727 -14.3558 -14.3558 -14.2298 -14.2291 -5.8478 -5.8461 -5.7078 -5.7059 -2.5751 -2.5698 -2.2990 -2.2956 -2.2000 -2.1640 -2.1543 -2.1200 -0.0193 -0.0114 0.0363 0.0451 0.0863 0.0868 0.4117 0.4126 1.0499 1.0500 1.3197 1.3228 1.3281 1.3310 1.8264 1.8319 1.8552 1.8613 1.8671 1.8684 2.2665 2.2674 2.2715 2.2726 6.1480 6.1482 10.0046 10.0656 10.1233 10.1885 11.5999 11.6272 11.7636 11.7830 k = 0.0000 0.0000 0.0315 ( 4505 PWs) bands (ev): -16.5795 -16.5795 -15.1236 -15.1223 -14.9745 -14.9730 -14.3734 -14.3721 -14.3557 -14.3555 -14.2305 -14.2291 -5.9153 -5.9137 -5.6354 -5.6335 -2.5831 -2.5729 -2.2996 -2.2932 -2.2173 -2.1708 -2.1454 -2.1021 -0.0463 -0.0387 0.0646 0.0720 0.0806 0.0813 0.4220 0.4237 1.0534 1.0537 1.3124 1.3155 1.3290 1.3318 1.8213 1.8310 1.8512 1.8595 1.8634 1.8636 2.2662 2.2678 2.2711 2.2731 6.1598 6.1601 9.9467 10.0054 10.1840 10.2511 11.5187 11.5496 11.8451 11.8599 k = 0.0000 0.0000 0.0473 ( 4511 PWs) bands (ev): -16.5763 -16.5763 -15.1622 -15.1610 -14.9388 -14.9373 -14.3733 -14.3714 -14.3554 -14.3551 -14.2315 -14.2293 -5.9811 -5.9795 -5.5616 -5.5597 -2.5943 -2.5799 -2.2995 -2.2907 -2.2342 -2.1868 -2.1264 -2.0838 -0.0723 -0.0650 0.0686 0.0711 0.0928 0.1035 0.4383 0.4407 1.0592 1.0597 1.3032 1.3065 1.3276 1.3302 1.8140 1.8249 1.8465 1.8480 1.8577 1.8654 2.2659 2.2682 2.2709 2.2733 6.1792 6.1797 9.8897 9.9461 10.2454 10.3142 11.4385 11.4728 11.9258 11.9353 k = 0.0000 0.0000 0.0631 ( 4511 PWs) bands (ev): -16.5718 -16.5718 -15.2011 -15.2000 -14.9039 -14.9024 -14.3730 -14.3706 -14.3550 -14.3546 -14.2326 -14.2298 -6.0449 -6.0435 -5.4865 -5.4845 -2.6084 -2.5904 -2.2990 -2.2886 -2.2506 -2.2024 -2.1070 -2.0652 -0.0973 -0.0902 0.0567 0.0594 0.1206 0.1317 0.4596 0.4626 1.0674 1.0681 1.2925 1.2958 1.3238 1.3264 1.8028 1.8109 1.8344 1.8410 1.8542 1.8666 2.2655 2.2685 2.2711 2.2730 6.2062 6.2068 9.8338 9.8875 10.3073 10.3779 11.3599 11.3974 12.0053 12.0082 k = 0.0000 0.0000 0.0788 ( 4499 PWs) bands (ev): -16.5660 -16.5660 -15.2404 -15.2393 -14.8698 -14.8682 -14.3725 -14.3697 -14.3545 -14.3539 -14.2340 -14.2305 -6.1069 -6.1055 -5.4102 -5.4080 -2.6249 -2.6042 -2.2984 -2.2873 -2.2666 -2.2174 -2.0873 -2.0461 -0.1209 -0.1141 0.0437 0.0466 0.1477 0.1595 0.4847 0.4881 1.0780 1.0787 1.2807 1.2840 1.3180 1.3205 1.7852 1.7895 1.8217 1.8348 1.8528 1.8674 2.2647 2.2691 2.2715 2.2720 6.2404 6.2412 9.7787 9.8296 10.3696 10.4419 11.2833 11.3240 12.0769 12.0828 k = 0.0000 0.0000 0.0946 ( 4493 PWs) bands (ev): -16.5590 -16.5590 -15.2800 -15.2789 -14.8367 -14.8350 -14.3718 -14.3686 -14.3539 -14.3530 -14.2357 -14.2315 -6.1668 -6.1654 -5.3327 -5.3304 -2.6437 -2.6210 -2.2980 -2.2870 -2.2820 -2.2320 -2.0672 -2.0267 -0.1430 -0.1364 0.0304 0.0336 0.1739 0.1864 0.5127 0.5165 1.0908 1.0917 1.2680 1.2713 1.3100 1.3124 1.7604 1.7624 1.8109 1.8276 1.8522 1.8677 2.2629 2.2700 2.2701 2.2724 6.2815 6.2824 9.7243 9.7721 10.4319 10.5060 11.2093 11.2531 12.1389 12.1573 k = 0.0000 0.0000 0.1104 ( 4481 PWs) bands (ev): -16.5507 -16.5507 -15.3197 -15.3188 -14.8044 -14.8027 -14.3710 -14.3674 -14.3532 -14.3519 -14.2375 -14.2327 -6.2246 -6.2233 -5.2542 -5.2518 -2.6644 -2.6405 -2.2982 -2.2970 -2.2880 -2.2461 -2.0469 -2.0071 -0.1635 -0.1571 0.0175 0.0209 0.1987 0.2120 0.5429 0.5470 1.1058 1.1068 1.2550 1.2583 1.3002 1.3025 1.7300 1.7307 1.8009 1.8195 1.8516 1.8674 2.2599 2.2671 2.2713 2.2736 6.3291 6.3301 9.6703 9.7149 10.4939 10.5700 11.1386 11.1853 12.1892 12.2271 k = 0.0000 0.0000 0.1261 ( 4493 PWs) bands (ev): -16.5412 -16.5411 -15.3597 -15.3587 -14.7732 -14.7714 -14.3700 -14.3661 -14.3525 -14.3507 -14.2396 -14.2341 -6.2802 -6.2790 -5.1748 -5.1723 -2.6869 -2.6624 -2.3115 -2.2992 -2.2905 -2.2598 -2.0263 -1.9872 -0.1823 -0.1760 0.0055 0.0092 0.2218 0.2359 0.5747 0.5791 1.1229 1.1242 1.2421 1.2454 1.2885 1.2909 1.6954 1.6954 1.7907 1.8104 1.8507 1.8665 2.2556 2.2628 2.2729 2.2751 6.3828 6.3839 9.6163 9.6575 10.5553 10.6336 11.0719 11.1211 12.2201 12.2881 k = 0.0000 0.0000 0.1419 ( 4481 PWs) bands (ev): -16.5304 -16.5303 -15.3997 -15.3988 -14.7431 -14.7413 -14.3688 -14.3647 -14.3518 -14.3492 -14.2418 -14.2357 -6.3336 -6.3325 -5.0945 -5.0919 -2.7111 -2.6865 -2.3255 -2.3012 -2.2947 -2.2730 -2.0055 -1.9672 -0.1991 -0.1929 -0.0053 -0.0014 0.2430 0.2578 0.6077 0.6123 1.1421 1.1435 1.2298 1.2332 1.2754 1.2777 1.6572 1.6576 1.7799 1.8002 1.8494 1.8652 2.2497 2.2569 2.2749 2.2768 6.4420 6.4432 9.5621 9.5998 10.6155 10.6967 11.0102 11.0611 12.2248 12.3300 k = 0.0000 0.0000 0.1577 ( 4481 PWs) bands (ev): -16.5184 -16.5183 -15.4397 -15.4389 -14.7141 -14.7122 -14.3675 -14.3633 -14.3510 -14.3477 -14.2443 -14.2375 -6.3847 -6.3836 -5.0135 -5.0108 -2.7370 -2.7128 -2.3390 -2.3045 -2.3005 -2.2857 -1.9846 -1.9472 -0.2139 -0.2077 -0.0148 -0.0107 0.2618 0.2774 0.6416 0.6463 1.1630 1.1649 1.2186 1.2222 1.2608 1.2633 1.6166 1.6173 1.7683 1.7889 1.8477 1.8632 2.2421 2.2493 2.2771 2.2789 6.5064 6.5077 9.5071 9.5411 10.6733 10.7588 10.9550 11.0061 12.2060 12.3382 k = 0.0000 0.0000 0.1735 ( 4463 PWs) bands (ev): -16.5051 -16.5051 -15.4798 -15.4790 -14.6862 -14.6843 -14.3660 -14.3617 -14.3501 -14.3459 -14.2469 -14.2395 -6.4334 -6.4324 -4.9320 -4.9292 -2.7645 -2.7411 -2.3520 -2.3088 -2.3079 -2.2980 -1.9636 -1.9271 -0.2266 -0.2204 -0.0229 -0.0187 0.2781 0.2944 0.6760 0.6808 1.1845 1.1878 1.2088 1.2141 1.2450 1.2479 1.5745 1.5755 1.7558 1.7764 1.8455 1.8607 2.2326 2.2398 2.2795 2.2811 6.5756 6.5770 9.4510 9.4813 10.7261 10.8199 10.9094 10.9566 12.1719 12.3166 k = 0.0000 0.0000 0.1892 ( 4463 PWs) bands (ev): -16.4906 -16.4906 -15.5197 -15.5190 -14.6596 -14.6577 -14.3644 -14.3600 -14.3493 -14.3439 -14.2498 -14.2417 -6.4797 -6.4787 -4.8500 -4.8470 -2.7937 -2.7716 -2.3644 -2.3168 -2.3144 -2.3098 -1.9427 -1.9072 -0.2370 -0.2309 -0.0297 -0.0253 0.2916 0.3084 0.7107 0.7157 1.1969 1.2008 1.2105 1.2185 1.2282 1.2334 1.5316 1.5328 1.7421 1.7628 1.8427 1.8576 2.2210 2.2283 2.2821 2.2835 6.6489 6.6504 9.3931 9.4199 10.7644 10.8796 10.8833 10.9130 12.1286 12.2572 k = 0.0000 0.0000 0.2050 ( 4463 PWs) bands (ev): -16.4750 -16.4749 -15.5596 -15.5588 -14.6343 -14.6324 -14.3628 -14.3581 -14.3485 -14.3418 -14.2528 -14.2441 -6.5235 -6.5226 -4.7676 -4.7646 -2.8247 -2.8040 -2.3764 -2.3270 -2.3211 -2.3210 -1.9218 -1.8876 -0.2452 -0.2391 -0.0353 -0.0307 0.3021 0.3194 0.7455 0.7506 1.1945 1.1948 1.2100 1.2107 1.2416 1.2430 1.4887 1.4901 1.7274 1.7480 1.8395 1.8540 2.2074 2.2146 2.2847 2.2860 6.7261 6.7277 9.3331 9.3564 10.7690 10.8760 10.8960 10.9375 12.0785 12.1870 k = 0.0000 0.0000 0.2208 ( 4463 PWs) bands (ev): -16.4581 -16.4580 -15.5992 -15.5985 -14.6104 -14.6084 -14.3611 -14.3561 -14.3477 -14.3396 -14.2559 -14.2467 -6.5647 -6.5639 -4.6851 -4.6819 -2.8576 -2.8387 -2.3877 -2.3383 -2.3320 -2.3285 -1.9012 -1.8683 -0.2512 -0.2451 -0.0399 -0.0350 0.3097 0.3272 0.7801 0.7853 1.1898 1.1915 1.1931 1.1940 1.2687 1.2695 1.4467 1.4483 1.7116 1.7319 1.8358 1.8498 2.1916 2.1988 2.2874 2.2885 6.8067 6.8084 9.2706 9.2906 10.7510 10.8458 10.9368 10.9935 12.0219 12.1154 k = 0.0000 0.0000 0.2365 ( 4451 PWs) bands (ev): -16.4401 -16.4400 -15.6386 -15.6380 -14.5879 -14.5859 -14.3595 -14.3539 -14.3470 -14.3371 -14.2592 -14.2494 -6.6034 -6.6026 -4.6024 -4.5991 -2.8926 -2.8756 -2.3985 -2.3505 -2.3424 -2.3367 -1.8810 -1.8494 -0.2548 -0.2487 -0.0436 -0.0386 0.3144 0.3319 0.8143 0.8195 1.1732 1.1747 1.1905 1.1907 1.2965 1.2973 1.4073 1.4091 1.6946 1.7146 1.8317 1.8452 2.1736 2.1807 2.2901 2.2911 6.8904 6.8921 9.2053 9.2222 10.7313 10.8229 10.9847 11.0471 11.9594 12.0425 k = 0.0000 0.0000 0.2523 ( 4445 PWs) bands (ev): -16.4209 -16.4208 -15.6777 -15.6771 -14.5667 -14.5647 -14.3580 -14.3514 -14.3463 -14.3345 -14.2627 -14.2523 -6.6394 -6.6386 -4.5197 -4.5163 -2.9298 -2.9148 -2.4087 -2.3631 -2.3522 -2.3453 -1.8612 -1.8313 -0.2562 -0.2500 -0.0468 -0.0417 0.3164 0.3338 0.8475 0.8528 1.1544 1.1560 1.1916 1.1917 1.3200 1.3206 1.3760 1.3782 1.6765 1.6961 1.8272 1.8401 2.1533 2.1605 2.2927 2.2936 6.9767 6.9784 9.1370 9.1511 10.7165 10.8073 11.0333 11.0981 11.8922 11.9688 k = 0.0000 0.0000 0.2681 ( 4433 PWs) bands (ev): -16.4005 -16.4005 -15.7165 -15.7159 -14.5471 -14.5451 -14.3565 -14.3488 -14.3457 -14.3318 -14.2662 -14.2554 -6.6727 -6.6720 -4.4373 -4.4338 -2.9694 -2.9565 -2.4183 -2.3760 -2.3615 -2.3542 -1.8421 -1.8138 -0.2552 -0.2491 -0.0498 -0.0445 0.3160 0.3330 0.8793 0.8847 1.1355 1.1371 1.1947 1.1949 1.3154 1.3161 1.3775 1.3795 1.6572 1.6764 1.8225 1.8347 2.1309 2.1380 2.2952 2.2960 7.0653 7.0671 9.0655 9.0772 10.7082 10.7991 11.0805 11.1460 11.8218 11.8946 k = 0.0000 0.0000 0.2838 ( 4433 PWs) bands (ev): -16.3791 -16.3790 -15.7549 -15.7544 -14.5290 -14.5270 -14.3551 -14.3459 -14.3451 -14.3289 -14.2699 -14.2585 -6.7032 -6.7026 -4.3552 -4.3515 -3.0116 -3.0007 -2.4272 -2.3888 -2.3701 -2.3631 -1.8237 -1.7974 -0.2522 -0.2460 -0.0528 -0.0475 0.3136 0.3300 0.9090 0.9143 1.1168 1.1184 1.1996 1.1999 1.2901 1.2909 1.4054 1.4072 1.6367 1.6554 1.8175 1.8290 2.1064 2.1134 2.2977 2.2983 7.1559 7.1577 8.9908 9.0005 10.7071 10.7982 11.1257 11.1906 11.7495 11.8201 k = 0.0000 0.0000 0.2996 ( 4433 PWs) bands (ev): -16.3565 -16.3564 -15.7929 -15.7924 -14.5125 -14.5105 -14.3539 -14.3447 -14.3428 -14.3259 -14.2736 -14.2618 -6.7310 -6.7304 -4.2735 -4.2698 -3.0563 -3.0475 -2.4353 -2.4012 -2.3782 -2.3718 -1.8062 -1.7820 -0.2470 -0.2408 -0.0563 -0.0509 0.3097 0.3252 0.9355 0.9406 1.0984 1.1001 1.2059 1.2062 1.2667 1.2671 1.4385 1.4404 1.6150 1.6332 1.8125 1.8231 2.0798 2.0867 2.2999 2.3005 7.2482 7.2500 8.9131 8.9210 10.7133 10.8046 11.1682 11.2313 11.6764 11.7456 k = 0.0000 0.0000 0.3154 ( 4427 PWs) bands (ev): -16.3329 -16.3328 -15.8304 -15.8299 -14.4975 -14.4957 -14.3527 -14.3444 -14.3396 -14.3228 -14.2775 -14.2652 -6.7559 -6.7554 -4.1924 -4.1887 -3.1038 -3.0969 -2.4427 -2.4130 -2.3856 -2.3800 -1.7899 -1.7678 -0.2399 -0.2337 -0.0606 -0.0551 0.3047 0.3191 0.9575 0.9620 1.0806 1.0823 1.2132 1.2135 1.2498 1.2503 1.4735 1.4756 1.5923 1.6098 1.8074 1.8172 2.0514 2.0582 2.3020 2.3025 7.3419 7.3437 8.8325 8.8390 10.7265 10.8178 11.2079 11.2676 11.6034 11.6715 k = 0.0000 0.0000 0.3311 ( 4434 PWs) bands (ev): -16.3082 -16.3081 -15.8673 -15.8669 -14.4842 -14.4824 -14.3516 -14.3442 -14.3362 -14.3195 -14.2814 -14.2687 -6.7780 -6.7776 -4.1121 -4.1083 -3.1541 -3.1489 -2.4493 -2.4239 -2.3923 -2.3876 -1.7748 -1.7551 -0.2310 -0.2248 -0.0658 -0.0602 0.2991 0.3122 0.9736 0.9773 1.0636 1.0654 1.2210 1.2211 1.2413 1.2432 1.5096 1.5117 1.5684 1.5852 1.8025 1.8114 2.0211 2.0278 2.3039 2.3044 7.4367 7.4385 8.7491 8.7545 10.7466 10.8377 11.2444 11.2984 11.5319 11.5981 k = 0.0000 0.0000 0.3469 ( 4434 PWs) bands (ev): -16.2825 -16.2824 -15.9037 -15.9033 -14.4726 -14.4709 -14.3506 -14.3441 -14.3326 -14.3162 -14.2853 -14.2722 -6.7972 -6.7968 -4.0326 -4.0289 -3.2072 -3.2036 -2.4549 -2.4338 -2.3982 -2.3945 -1.7611 -1.7439 -0.2204 -0.2143 -0.0723 -0.0666 0.2934 0.3050 0.9834 0.9860 1.0477 1.0495 1.2286 1.2289 1.2426 1.2465 1.5415 1.5464 1.5508 1.5595 1.7980 1.8058 1.9893 1.9958 2.3056 2.3060 7.5323 7.5341 8.6633 8.6678 10.7732 10.8639 11.2777 11.3214 11.4642 11.5257 k = 0.0000 0.0000 0.3627 ( 4434 PWs) bands (ev): -16.2558 -16.2556 -15.9395 -15.9392 -14.4626 -14.4611 -14.3497 -14.3442 -14.3290 -14.3127 -14.2893 -14.2759 -6.8135 -6.8132 -3.9542 -3.9506 -3.2631 -3.2609 -2.4596 -2.4426 -2.4033 -2.4005 -1.7490 -1.7344 -0.2086 -0.2025 -0.0801 -0.0744 0.2880 0.2979 0.9875 0.9890 1.0331 1.0349 1.2362 1.2364 1.2530 1.2586 1.5170 1.5327 1.5839 1.5871 1.7939 1.8005 1.9560 1.9623 2.3071 2.3074 7.6286 7.6304 8.5754 8.5791 10.8058 10.8961 11.3074 11.3258 11.4112 11.4546 k = 0.0000 0.0000 0.3784 ( 4452 PWs) bands (ev): -16.2281 -16.2279 -15.9747 -15.9743 -14.4543 -14.4531 -14.3489 -14.3444 -14.3252 -14.3092 -14.2934 -14.2796 -6.8268 -6.8266 -3.8770 -3.8735 -3.3217 -3.3207 -2.4634 -2.4501 -2.4075 -2.4055 -1.7386 -1.7267 -0.1956 -0.1895 -0.0893 -0.0836 0.2832 0.2913 0.9880 0.9885 1.0201 1.0219 1.2432 1.2433 1.2708 1.2777 1.4901 1.5050 1.6218 1.6252 1.7903 1.7958 1.9215 1.9275 2.3083 2.3085 7.7252 7.7271 8.4854 8.4886 10.8441 10.9337 11.2887 11.3336 11.3852 11.3958 k = 0.0000 0.0000 0.3942 ( 4458 PWs) bands (ev): -16.1994 -16.1992 -16.0091 -16.0088 -14.4478 -14.4469 -14.3481 -14.3447 -14.3214 -14.3056 -14.2974 -14.2833 -6.8372 -6.8370 -3.8012 -3.7978 -3.3830 -3.3829 -2.4660 -2.4563 -2.4109 -2.4095 -1.7300 -1.7210 -0.1817 -0.1757 -0.0999 -0.0942 0.2794 0.2856 0.9868 0.9870 1.0089 1.0106 1.2490 1.2490 1.2936 1.3017 1.4624 1.4764 1.6599 1.6636 1.7876 1.7918 1.8859 1.8916 2.3092 2.3094 7.8220 7.8239 8.3938 8.3965 10.8875 10.9764 11.2289 11.3178 11.3559 11.3995 k = 0.0000 0.0000 0.4100 ( 4452 PWs) bands (ev): -16.1698 -16.1696 -16.0429 -16.0426 -14.4431 -14.4424 -14.3474 -14.3451 -14.3175 -14.3019 -14.3015 -14.2870 -6.8447 -6.8445 -3.7268 -3.7237 -3.4476 -3.4466 -2.4675 -2.4612 -2.4132 -2.4124 -1.7233 -1.7173 -0.1674 -0.1614 -0.1119 -0.1061 0.2768 0.2810 0.9855 0.9862 0.9997 1.0013 1.2533 1.2534 1.3196 1.3288 1.4340 1.4471 1.6982 1.7023 1.7858 1.7886 1.8494 1.8548 2.3099 2.3100 7.9188 7.9207 8.3007 8.3032 10.9358 11.0239 11.1659 11.2528 11.3742 11.4031 k = 0.0000 0.0000 0.4257 ( 4452 PWs) bands (ev): -16.1394 -16.1391 -16.0758 -16.0756 -14.4402 -14.4398 -14.3468 -14.3456 -14.3135 -14.3055 -14.2982 -14.2908 -6.8491 -6.8490 -3.6542 -3.6514 -3.5144 -3.5127 -2.4678 -2.4647 -2.4146 -2.4142 -1.7187 -1.7156 -0.1529 -0.1470 -0.1248 -0.1190 0.2756 0.2778 0.9858 0.9869 0.9927 0.9943 1.2561 1.2561 1.3474 1.3576 1.4051 1.4173 1.7364 1.7409 1.7849 1.7863 1.8122 1.8173 2.3103 2.3104 8.0153 8.0172 8.2065 8.2087 10.9882 11.0757 11.1040 11.1905 11.3883 11.4028 k = 0.0000 0.0000 0.4415 ( 4440 PWs) bands (ev): -16.1080 -16.1080 -16.1078 -16.1078 -14.4391 -14.4391 -14.3461 -14.3461 -14.3095 -14.3095 -14.2945 -14.2945 -6.8506 -6.8506 -3.5833 -3.5833 -3.5810 -3.5810 -2.4669 -2.4669 -2.4149 -2.4149 -1.7161 -1.7161 -0.1386 -0.1386 -0.1327 -0.1327 0.2760 0.2760 0.9881 0.9881 0.9894 0.9894 1.2570 1.2570 1.3761 1.3761 1.3874 1.3874 1.7745 1.7745 1.7793 1.7793 1.7851 1.7851 2.3105 2.3105 8.1112 8.1112 8.1133 8.1133 11.0445 11.0445 11.1313 11.1313 11.3979 11.3979 k = 0.0000 0.0000 0.4415 ( 4440 PWs) bands (ev): -16.1080 -16.1080 -16.1078 -16.1078 -14.4391 -14.4391 -14.3461 -14.3461 -14.3095 -14.3095 -14.2945 -14.2945 -6.8506 -6.8506 -3.5833 -3.5833 -3.5810 -3.5810 -2.4669 -2.4669 -2.4149 -2.4149 -1.7161 -1.7161 -0.1386 -0.1386 -0.1327 -0.1327 0.2760 0.2760 0.9881 0.9881 0.9894 0.9894 1.2570 1.2570 1.3761 1.3761 1.3874 1.3874 1.7745 1.7745 1.7793 1.7793 1.7851 1.7851 2.3105 2.3105 8.1112 8.1112 8.1133 8.1133 11.0445 11.0445 11.1313 11.1313 11.3979 11.3979 k = 0.0135 0.0078 0.4415 ( 4444 PWs) bands (ev): -16.1078 -16.1077 -16.1073 -16.1072 -14.4392 -14.4391 -14.3470 -14.3460 -14.3101 -14.3099 -14.2950 -14.2950 -6.8492 -6.8492 -3.5862 -3.5844 -3.5820 -3.5804 -2.4661 -2.4661 -2.4146 -2.4133 -1.7178 -1.7138 -0.1399 -0.1386 -0.1333 -0.1332 0.2760 0.2762 0.9868 0.9875 0.9888 0.9889 1.2572 1.2580 1.3770 1.3770 1.3878 1.3889 1.7675 1.7682 1.7769 1.7773 1.7933 1.7944 2.3102 2.3103 8.1113 8.1125 8.1142 8.1145 11.0359 11.0511 11.1299 11.1301 11.3943 11.4094 k = 0.0270 0.0156 0.4415 ( 4440 PWs) bands (ev): -16.1072 -16.1069 -16.1055 -16.1054 -14.4396 -14.4393 -14.3488 -14.3468 -14.3116 -14.3110 -14.2963 -14.2961 -6.8451 -6.8450 -3.5926 -3.5889 -3.5851 -3.5793 -2.4638 -2.4634 -2.4122 -2.4099 -1.7189 -1.7109 -0.1427 -0.1403 -0.1344 -0.1342 0.2763 0.2767 0.9838 0.9852 0.9868 0.9871 1.2587 1.2602 1.3792 1.3798 1.3903 1.3921 1.7565 1.7569 1.7760 1.7765 1.8047 1.8064 2.3093 2.3096 8.1121 8.1141 8.1178 8.1190 11.0256 11.0554 11.1257 11.1267 11.3989 11.4280 k = 0.0405 0.0234 0.4415 ( 4432 PWs) bands (ev): -16.1062 -16.1057 -16.1025 -16.1023 -14.4400 -14.4397 -14.3515 -14.3486 -14.3142 -14.3131 -14.2983 -14.2977 -6.8383 -6.8382 -3.6030 -3.5968 -3.5887 -3.5788 -2.4601 -2.4590 -2.4081 -2.4045 -1.7195 -1.7075 -0.1478 -0.1445 -0.1355 -0.1348 0.2768 0.2774 0.9793 0.9817 0.9832 0.9841 1.2615 1.2636 1.3825 1.3843 1.3950 1.3970 1.7453 1.7456 1.7748 1.7755 1.8164 1.8185 2.3080 2.3085 8.1133 8.1161 8.1245 8.1266 11.0141 11.0574 11.1190 11.1220 11.4112 11.4522 k = 0.0541 0.0312 0.4415 ( 4428 PWs) bands (ev): -16.1047 -16.1041 -16.0983 -16.0980 -14.4407 -14.4402 -14.3554 -14.3517 -14.3180 -14.3161 -14.3007 -14.2995 -6.8287 -6.8286 -3.6170 -3.6088 -3.5924 -3.5787 -2.4552 -2.4526 -2.4022 -2.3973 -1.7194 -1.7037 -0.1550 -0.1511 -0.1365 -0.1351 0.2777 0.2785 0.9732 0.9771 0.9782 0.9802 1.2654 1.2681 1.3865 1.3902 1.4013 1.4038 1.7341 1.7348 1.7734 1.7743 1.8280 1.8304 2.3062 2.3068 8.1149 8.1185 8.1342 8.1372 11.0019 11.0570 11.1110 11.1164 11.4301 11.4811 k = 0.0676 0.0390 0.4415 ( 4440 PWs) bands (ev): -16.1029 -16.1021 -16.0929 -16.0925 -14.4415 -14.4409 -14.3608 -14.3565 -14.3226 -14.3201 -14.3030 -14.3011 -6.8165 -6.8164 -3.6344 -3.6244 -3.5962 -3.5793 -2.4491 -2.4444 -2.3948 -2.3882 -1.7189 -1.6995 -0.1641 -0.1597 -0.1375 -0.1355 0.2788 0.2797 0.9660 0.9716 0.9722 0.9755 1.2705 1.2737 1.3909 1.3970 1.4090 1.4127 1.7233 1.7243 1.7718 1.7729 1.8393 1.8421 2.3040 2.3046 8.1171 8.1214 8.1467 8.1505 10.9897 11.0544 11.1024 11.1102 11.4541 11.5135 k = 0.0811 0.0468 0.4415 ( 4436 PWs) bands (ev): -16.1006 -16.0997 -16.0863 -16.0858 -14.4425 -14.4418 -14.3680 -14.3635 -14.3277 -14.3248 -14.3053 -14.3026 -6.8017 -6.8015 -3.6550 -3.6434 -3.6003 -3.5803 -2.4420 -2.4345 -2.3862 -2.3773 -1.7179 -1.6950 -0.1749 -0.1699 -0.1386 -0.1361 0.2802 0.2812 0.9576 0.9640 0.9665 0.9705 1.2767 1.2801 1.3955 1.4039 1.4181 1.4234 1.7131 1.7144 1.7700 1.7713 1.8502 1.8535 2.3013 2.3021 8.1198 8.1249 8.1622 8.1668 10.9778 11.0499 11.0939 11.1036 11.4819 11.5487 k = 0.0946 0.0546 0.4415 ( 4442 PWs) bands (ev): -16.0979 -16.0969 -16.0784 -16.0779 -14.4436 -14.4429 -14.3773 -14.3730 -14.3328 -14.3298 -14.3073 -14.3041 -6.7843 -6.7840 -3.6785 -3.6656 -3.6046 -3.5819 -2.4341 -2.4229 -2.3764 -2.3647 -1.7165 -1.6903 -0.1869 -0.1815 -0.1399 -0.1369 0.2819 0.2830 0.9482 0.9553 0.9610 0.9655 1.2838 1.2874 1.4001 1.4103 1.4287 1.4354 1.7034 1.7051 1.7683 1.7698 1.8605 1.8642 2.2983 2.2992 8.1231 8.1289 8.1805 8.1858 10.9665 11.0441 11.0855 11.0965 11.5124 11.5859 k = 0.1081 0.0624 0.4415 ( 4448 PWs) bands (ev): -16.0949 -16.0937 -16.0694 -16.0688 -14.4450 -14.4443 -14.3888 -14.3851 -14.3377 -14.3347 -14.3093 -14.3055 -6.7643 -6.7640 -3.7048 -3.6908 -3.6091 -3.5840 -2.4254 -2.4100 -2.3655 -2.3503 -1.7149 -1.6856 -0.2001 -0.1942 -0.1416 -0.1382 0.2840 0.2851 0.9380 0.9455 0.9559 0.9609 1.2915 1.2952 1.4045 1.4159 1.4406 1.4484 1.6945 1.6965 1.7668 1.7685 1.8702 1.8743 2.2950 2.2960 8.1269 8.1335 8.2015 8.2076 10.9561 11.0377 11.0770 11.0892 11.5444 11.6245 k = 0.1216 0.0702 0.4415 ( 4444 PWs) bands (ev): -16.0915 -16.0901 -16.0593 -16.0586 -14.4466 -14.4460 -14.4024 -14.3994 -14.3425 -14.3396 -14.3111 -14.3069 -6.7419 -6.7416 -3.7336 -3.7187 -3.6137 -3.5866 -2.4162 -2.3961 -2.3534 -2.3344 -1.7132 -1.6810 -0.2141 -0.2077 -0.1438 -0.1399 0.2865 0.2877 0.9269 0.9349 0.9515 0.9569 1.2997 1.3035 1.4083 1.4207 1.4532 1.4619 1.6863 1.6886 1.7657 1.7676 1.8791 1.8836 2.2915 2.2926 8.1313 8.1386 8.2252 8.2320 10.9467 11.0312 11.0680 11.0815 11.5768 11.6638 k = 0.1351 0.0780 0.4415 ( 4452 PWs) bands (ev): -16.0877 -16.0862 -16.0479 -16.0472 -14.4489 -14.4483 -14.4178 -14.4155 -14.3474 -14.3444 -14.3128 -14.3084 -6.7172 -6.7167 -3.7647 -3.7491 -3.6185 -3.5896 -2.4067 -2.3819 -2.3398 -2.3168 -1.7114 -1.6767 -0.2285 -0.2219 -0.1464 -0.1421 0.2895 0.2908 0.9151 0.9234 0.9480 0.9537 1.3082 1.3119 1.4116 1.4245 1.4663 1.4757 1.6790 1.6815 1.7652 1.7673 1.8869 1.8918 2.2880 2.2891 8.1363 8.1442 8.2516 8.2591 10.9382 11.0252 11.0581 11.0738 11.6085 11.7030 k = 0.1486 0.0858 0.4415 ( 4450 PWs) bands (ev): -16.0836 -16.0820 -16.0354 -16.0346 -14.4536 -14.4514 -14.4341 -14.4314 -14.3523 -14.3492 -14.3145 -14.3098 -6.6901 -6.6896 -3.7979 -3.7817 -3.6232 -3.5929 -2.3970 -2.3678 -2.3243 -2.2978 -1.7098 -1.6728 -0.2432 -0.2363 -0.1496 -0.1450 0.2931 0.2945 0.9027 0.9112 0.9456 0.9518 1.3166 1.3203 1.4141 1.4273 1.4793 1.4893 1.6726 1.6753 1.7655 1.7678 1.8936 1.8989 2.2846 2.2858 8.1418 8.1502 8.2805 8.2886 10.9305 11.0198 11.0470 11.0662 11.6383 11.7411 k = 0.1622 0.0936 0.4415 ( 4450 PWs) bands (ev): -16.0792 -16.0775 -16.0218 -16.0210 -14.4653 -14.4609 -14.4467 -14.4419 -14.3574 -14.3541 -14.3161 -14.3112 -6.6609 -6.6603 -3.8330 -3.8164 -3.6280 -3.5966 -2.3872 -2.3545 -2.3067 -2.2774 -1.7084 -1.6694 -0.2579 -0.2508 -0.1534 -0.1484 0.2975 0.2989 0.8897 0.8982 0.9445 0.9510 1.3248 1.3283 1.4158 1.4290 1.4918 1.5023 1.6672 1.6700 1.7668 1.7694 1.8990 1.9047 2.2814 2.2827 8.1478 8.1568 8.3118 8.3206 10.9233 11.0150 11.0346 11.0590 11.6649 11.7767 k = 0.1757 0.1014 0.4415 ( 4460 PWs) bands (ev): -16.0746 -16.0728 -16.0071 -16.0062 -14.4841 -14.4806 -14.4510 -14.4467 -14.3626 -14.3592 -14.3176 -14.3126 -6.6295 -6.6288 -3.8698 -3.8530 -3.6328 -3.6006 -2.3776 -2.3422 -2.2868 -2.2558 -1.7074 -1.6668 -0.2722 -0.2651 -0.1579 -0.1526 0.3027 0.3043 0.8761 0.8846 0.9446 0.9516 1.3324 1.3357 1.4168 1.4296 1.5034 1.5143 1.6628 1.6656 1.7693 1.7721 1.9031 1.9091 2.2786 2.2801 8.1543 8.1639 8.3455 8.3548 10.9163 11.0107 11.0208 11.0527 11.6872 11.8071 k = 0.1892 0.1092 0.4415 ( 4456 PWs) bands (ev): -16.0697 -16.0678 -15.9914 -15.9903 -14.5065 -14.5036 -14.4537 -14.4497 -14.3679 -14.3644 -14.3191 -14.3140 -6.5962 -6.5954 -3.9082 -3.8912 -3.6374 -3.6048 -2.3682 -2.3310 -2.2650 -2.2329 -1.7070 -1.6649 -0.2861 -0.2790 -0.1630 -0.1574 0.3090 0.3108 0.8619 0.8704 0.9461 0.9535 1.3393 1.3422 1.4173 1.4293 1.5137 1.5250 1.6596 1.6623 1.7732 1.7761 1.9056 1.9120 2.2765 2.2781 8.1614 8.1714 8.3813 8.3912 10.9088 11.0037 11.0086 11.0477 11.7044 11.8274 k = 0.2027 0.1170 0.4415 ( 4458 PWs) bands (ev): -16.0645 -16.0626 -15.9745 -15.9734 -14.5308 -14.5284 -14.4561 -14.4522 -14.3733 -14.3698 -14.3205 -14.3154 -6.5610 -6.5601 -3.9480 -3.9310 -3.6420 -3.6091 -2.3591 -2.3207 -2.2416 -2.2090 -1.7072 -1.6641 -0.2992 -0.2922 -0.1686 -0.1629 0.3163 0.3184 0.8472 0.8556 0.9489 0.9567 1.3450 1.3475 1.4174 1.4283 1.5224 1.5339 1.6575 1.6601 1.7784 1.7815 1.9067 1.9134 2.2752 2.2769 8.1690 8.1794 8.4191 8.4296 10.9003 10.9876 11.0045 11.0445 11.7162 11.8340 k = 0.2162 0.1248 0.4415 ( 4464 PWs) bands (ev): -16.0592 -16.0572 -15.9566 -15.9555 -14.5567 -14.5546 -14.4586 -14.4546 -14.3787 -14.3752 -14.3219 -14.3168 -6.5240 -6.5230 -3.9890 -3.9721 -3.6465 -3.6136 -2.3503 -2.3113 -2.2169 -2.1843 -1.7081 -1.6643 -0.3114 -0.3046 -0.1748 -0.1688 0.3249 0.3273 0.8320 0.8401 0.9528 0.9611 1.3492 1.3511 1.4174 1.4267 1.5290 1.5407 1.6567 1.6592 1.7850 1.7881 1.9064 1.9133 2.2747 2.2765 8.1771 8.1878 8.4588 8.4698 10.8900 10.9690 11.0019 11.0433 11.7226 11.8321 k = 0.2297 0.1326 0.4415 ( 4468 PWs) bands (ev): -16.0538 -16.0517 -15.9378 -15.9366 -14.5839 -14.5820 -14.4612 -14.4571 -14.3841 -14.3807 -14.3232 -14.3182 -6.4855 -6.4843 -4.0312 -4.0144 -3.6507 -3.6182 -2.3419 -2.3026 -2.1911 -2.1589 -1.7099 -1.6657 -0.3226 -0.3160 -0.1814 -0.1752 0.3348 0.3376 0.8164 0.8242 0.9578 0.9665 1.3517 1.3532 1.4175 1.4247 1.5336 1.5452 1.6573 1.6594 1.7927 1.7958 1.9050 1.9120 2.2752 2.2772 8.1856 8.1966 8.5002 8.5117 10.8774 10.9487 11.0005 11.0438 11.7243 11.8256 k = 0.2432 0.1404 0.4415 ( 4472 PWs) bands (ev): -16.0482 -16.0461 -15.9179 -15.9167 -14.6122 -14.6105 -14.4639 -14.4596 -14.3895 -14.3862 -14.3246 -14.3196 -6.4454 -6.4441 -4.0743 -4.0577 -3.6548 -3.6228 -2.3339 -2.2945 -2.1646 -2.1330 -1.7126 -1.6682 -0.3326 -0.3263 -0.1882 -0.1819 0.3460 0.3492 0.8002 0.8077 0.9636 0.9727 1.3518 1.3537 1.4178 1.4224 1.5359 1.5476 1.6592 1.6608 1.8012 1.8041 1.9026 1.9096 2.2768 2.2788 8.1946 8.2058 8.5430 8.5549 10.8622 10.9269 11.0006 11.0459 11.7216 11.8157 k = 0.2568 0.1482 0.4415 ( 4464 PWs) bands (ev): -16.0426 -16.0405 -15.8971 -15.8959 -14.6415 -14.6399 -14.4667 -14.4622 -14.3947 -14.3915 -14.3259 -14.3210 -6.4041 -6.4026 -4.1182 -4.1019 -3.6587 -3.6275 -2.3263 -2.2871 -2.1376 -2.1069 -1.7162 -1.6720 -0.3415 -0.3355 -0.1951 -0.1887 0.3586 0.3623 0.7838 0.7908 0.9701 0.9795 1.3499 1.3527 1.4180 1.4199 1.5363 1.5481 1.6622 1.6633 1.8099 1.8126 1.9000 1.9068 2.2793 2.2813 8.2040 8.2153 8.5870 8.5994 10.8445 10.9035 11.0022 11.0492 11.7150 11.8024 k = 0.2703 0.1560 0.4415 ( 4464 PWs) bands (ev): -16.0369 -16.0348 -15.8755 -15.8742 -14.6717 -14.6702 -14.4697 -14.4650 -14.3998 -14.3968 -14.3271 -14.3224 -6.3616 -6.3600 -4.1628 -4.1468 -3.6623 -3.6320 -2.3190 -2.2802 -2.1103 -2.0807 -1.7207 -1.6769 -0.3490 -0.3434 -0.2019 -0.1955 0.3726 0.3768 0.7670 0.7736 0.9770 0.9868 1.3462 1.3500 1.4169 1.4179 1.5352 1.5471 1.6659 1.6667 1.8180 1.8206 1.8977 1.9043 2.2827 2.2848 8.2138 8.2251 8.6321 8.6448 10.8244 10.8787 11.0052 11.0533 11.7048 11.7856 k = 0.2838 0.1638 0.4415 ( 4468 PWs) bands (ev): -16.0312 -16.0291 -15.8530 -15.8516 -14.7027 -14.7012 -14.4728 -14.4679 -14.4047 -14.4018 -14.3283 -14.3238 -6.3181 -6.3163 -4.2079 -4.1923 -3.6657 -3.6365 -2.3120 -2.2739 -2.0831 -2.0546 -1.7259 -1.6828 -0.3554 -0.3502 -0.2085 -0.2021 0.3877 0.3926 0.7501 0.7562 0.9840 0.9941 1.3412 1.3458 1.4133 1.4169 1.5330 1.5452 1.6702 1.6708 1.8244 1.8271 1.8969 1.9029 2.2870 2.2890 8.2238 8.2351 8.6779 8.6909 10.8022 10.8526 11.0094 11.0581 11.6916 11.7656 k = 0.2973 0.1716 0.4415 ( 4468 PWs) bands (ev): -16.0256 -16.0236 -15.8298 -15.8283 -14.7343 -14.7327 -14.4761 -14.4710 -14.4094 -14.4065 -14.3295 -14.3251 -6.2738 -6.2719 -4.2533 -4.2381 -3.6689 -3.6409 -2.3054 -2.2681 -2.0561 -2.0289 -1.7320 -1.6898 -0.3605 -0.3558 -0.2146 -0.2083 0.4040 0.4096 0.7332 0.7388 0.9910 1.0012 1.3351 1.3403 1.4087 1.4146 1.5303 1.5429 1.6746 1.6752 1.8280 1.8313 1.8984 1.9039 2.2919 2.2938 8.2341 8.2453 8.7241 8.7374 10.7782 10.8253 11.0147 11.0631 11.6758 11.7427 k = 0.3108 0.1794 0.4415 ( 4466 PWs) bands (ev): -16.0201 -16.0181 -15.8058 -15.8044 -14.7663 -14.7647 -14.4794 -14.4742 -14.4137 -14.4110 -14.3306 -14.3265 -6.2290 -6.2269 -4.2989 -4.2843 -3.6717 -3.6451 -2.2991 -2.2628 -2.0295 -2.0039 -1.7386 -1.6977 -0.3646 -0.3602 -0.2203 -0.2140 0.4212 0.4277 0.7165 0.7217 0.9974 1.0078 1.3283 1.3336 1.4030 1.4109 1.5277 1.5406 1.6791 1.6798 1.8285 1.8324 1.9029 1.9078 2.2974 2.2991 8.2446 8.2556 8.7705 8.7839 10.7529 10.7971 11.0207 11.0682 11.6579 11.7177 k = 0.3243 0.1872 0.4415 ( 4466 PWs) bands (ev): -16.0147 -16.0127 -15.7813 -15.7798 -14.7987 -14.7971 -14.4828 -14.4776 -14.4178 -14.4151 -14.3317 -14.3278 -6.1839 -6.1816 -4.3445 -4.3304 -3.6743 -3.6492 -2.2931 -2.2581 -2.0037 -1.9796 -1.7457 -1.7063 -0.3676 -0.3636 -0.2252 -0.2190 0.4389 0.4464 0.7004 0.7054 1.0031 1.0134 1.3208 1.3261 1.3962 1.4056 1.5256 1.5387 1.6836 1.6843 1.8264 1.8308 1.9098 1.9143 2.3032 2.3048 8.2551 8.2658 8.8167 8.8303 10.7266 10.7682 11.0273 11.0733 11.6384 11.6915 k = 0.3378 0.1951 0.4415 ( 4470 PWs) bands (ev): -16.0095 -16.0076 -15.7562 -15.7547 -14.8312 -14.8296 -14.4863 -14.4811 -14.4214 -14.4188 -14.3327 -14.3290 -6.1387 -6.1363 -4.3899 -4.3763 -3.6766 -3.6531 -2.2874 -2.2538 -1.9788 -1.9564 -1.7531 -1.7154 -0.3697 -0.3661 -0.2293 -0.2233 0.4568 0.4654 0.6853 0.6904 1.0075 1.0177 1.3129 1.3178 1.3886 1.3988 1.5243 1.5374 1.6879 1.6887 1.8225 1.8271 1.9184 1.9225 2.3093 2.3107 8.2656 8.2759 8.8623 8.8759 10.6997 10.7388 11.0342 11.0780 11.6175 11.6655 k = 0.3514 0.2029 0.4415 ( 4474 PWs) bands (ev): -16.0045 -16.0027 -15.7307 -15.7291 -14.8638 -14.8622 -14.4898 -14.4846 -14.4247 -14.4222 -14.3337 -14.3302 -6.0938 -6.0913 -4.4347 -4.4218 -3.6786 -3.6568 -2.2819 -2.2499 -1.9551 -1.9344 -1.7605 -1.7248 -0.3710 -0.3678 -0.2326 -0.2268 0.4741 0.4839 0.6720 0.6776 1.0102 1.0202 1.3046 1.3089 1.3803 1.3908 1.5239 1.5367 1.6920 1.6927 1.8176 1.8223 1.9279 1.9315 2.3153 2.3166 8.2759 8.2858 8.9071 8.9206 10.6726 10.7093 11.0413 11.0824 11.5956 11.6410 k = 0.3649 0.2107 0.4415 ( 4470 PWs) bands (ev): -15.9998 -15.9980 -15.7049 -15.7034 -14.8961 -14.8945 -14.4931 -14.4882 -14.4277 -14.4252 -14.3346 -14.3314 -6.0495 -6.0469 -4.4786 -4.4664 -3.6804 -3.6603 -2.2767 -2.2466 -1.9328 -1.9139 -1.7678 -1.7343 -0.3716 -0.3688 -0.2351 -0.2296 0.4895 0.5007 0.6619 0.6684 1.0108 1.0204 1.2962 1.2997 1.3720 1.3823 1.5243 1.5367 1.6957 1.6964 1.8124 1.8170 1.9375 1.9409 2.3214 2.3225 8.2861 8.2954 8.9506 8.9639 10.6456 10.6800 11.0485 11.0862 11.5730 11.6189 k = 0.3784 0.2185 0.4415 ( 4470 PWs) bands (ev): -15.9953 -15.9937 -15.6791 -15.6776 -14.9280 -14.9264 -14.4964 -14.4917 -14.4302 -14.4279 -14.3354 -14.3325 -6.0062 -6.0035 -4.5213 -4.5100 -3.6818 -3.6636 -2.2717 -2.2437 -1.9120 -1.8951 -1.7747 -1.7438 -0.3717 -0.3692 -0.2367 -0.2315 0.5017 0.5138 0.6571 0.6643 1.0086 1.0178 1.2879 1.2905 1.3641 1.3736 1.5255 1.5371 1.6991 1.6997 1.8072 1.8116 1.9470 1.9500 2.3272 2.3282 8.2958 8.3046 8.9924 9.0053 10.6192 10.6512 11.0555 11.0894 11.5503 11.5999 k = 0.3919 0.2263 0.4415 ( 4466 PWs) bands (ev): -15.9912 -15.9898 -15.6534 -15.6519 -14.9592 -14.9577 -14.4995 -14.4951 -14.4324 -14.4303 -14.3361 -14.3335 -5.9645 -5.9618 -4.5624 -4.5519 -3.6830 -3.6666 -2.2669 -2.2412 -1.8931 -1.8783 -1.7810 -1.7529 -0.3714 -0.3692 -0.2375 -0.2327 0.5092 0.5212 0.6596 0.6668 1.0033 1.0119 1.2800 1.2817 1.3568 1.3653 1.5273 1.5380 1.7021 1.7027 1.8021 1.8063 1.9560 1.9586 2.3327 2.3335 8.3051 8.3131 9.0320 9.0444 10.5940 10.6233 11.0623 11.0919 11.5286 11.5841 k = 0.4054 0.2341 0.4415 ( 4458 PWs) bands (ev): -15.9875 -15.9862 -15.6282 -15.6268 -14.9894 -14.9879 -14.5023 -14.4983 -14.4343 -14.4323 -14.3368 -14.3344 -5.9248 -5.9221 -4.6012 -4.5916 -3.6839 -3.6695 -2.2624 -2.2393 -1.8763 -1.8637 -1.7863 -1.7614 -0.3708 -0.3688 -0.2376 -0.2332 0.5115 0.5224 0.6703 0.6766 0.9946 1.0023 1.2729 1.2739 1.3503 1.3576 1.5295 1.5392 1.7048 1.7052 1.7974 1.8013 1.9643 1.9666 2.3378 2.3385 8.3138 8.3210 9.0690 9.0805 10.5702 10.5967 11.0686 11.0938 11.5088 11.5711 k = 0.4189 0.2419 0.4415 ( 4462 PWs) bands (ev): -15.9842 -15.9830 -15.6039 -15.6025 -15.0181 -15.0166 -14.5048 -14.5013 -14.4358 -14.4341 -14.3373 -14.3353 -5.8878 -5.8853 -4.6372 -4.6287 -3.6845 -3.6721 -2.2582 -2.2379 -1.8618 -1.8517 -1.7902 -1.7691 -0.3700 -0.3683 -0.2372 -0.2333 0.5095 0.5187 0.6879 0.6927 0.9821 0.9891 1.2666 1.2674 1.3447 1.3508 1.5320 1.5405 1.7070 1.7073 1.7931 1.7966 1.9717 1.9737 2.3424 2.3429 8.3217 8.3280 9.1027 9.1133 10.5485 10.5720 11.0743 11.0951 11.4919 11.5597 k = 0.4324 0.2497 0.4415 ( 4470 PWs) bands (ev): -15.9813 -15.9803 -15.5809 -15.5796 -15.0447 -15.0434 -14.5070 -14.5040 -14.4371 -14.4356 -14.3377 -14.3360 -5.8543 -5.8520 -4.6697 -4.6623 -3.6848 -3.6744 -2.2543 -2.2369 -1.8499 -1.8425 -1.7924 -1.7755 -0.3691 -0.3677 -0.2364 -0.2330 0.5051 0.5124 0.7102 0.7136 0.9661 0.9723 1.2615 1.2623 1.3401 1.3451 1.5346 1.5418 1.7088 1.7090 1.7894 1.7925 1.9782 1.9799 2.3464 2.3468 8.3287 8.3340 9.1327 9.1420 10.5294 10.5495 11.0794 11.0959 11.4784 11.5463 k = 0.4459 0.2575 0.4415 ( 4466 PWs) bands (ev): -15.9789 -15.9781 -15.5600 -15.5589 -15.0686 -15.0674 -14.5087 -14.5063 -14.4380 -14.4369 -14.3381 -14.3367 -5.8251 -5.8230 -4.6977 -4.6916 -3.6849 -3.6766 -2.2507 -2.2365 -1.8408 -1.8363 -1.7927 -1.7804 -0.3683 -0.3671 -0.2353 -0.2325 0.4998 0.5053 0.7353 0.7377 0.9469 0.9522 1.2577 1.2585 1.3364 1.3403 1.5371 1.5430 1.7102 1.7104 1.7864 1.7889 1.9837 1.9851 2.3497 2.3501 8.3347 8.3391 9.1584 9.1663 10.5133 10.5298 11.0836 11.0962 11.4688 11.5289 k = 0.4595 0.2653 0.4415 ( 4466 PWs) bands (ev): -15.9769 -15.9763 -15.5420 -15.5411 -15.0888 -15.0878 -14.5101 -14.5082 -14.4387 -14.4378 -14.3383 -14.3372 -5.8011 -5.7994 -4.7206 -4.7159 -3.6848 -3.6785 -2.2474 -2.2366 -1.8349 -1.8325 -1.7916 -1.7836 -0.3675 -0.3666 -0.2341 -0.2319 0.4948 0.4988 0.7621 0.7639 0.9249 0.9295 1.2550 1.2558 1.3337 1.3365 1.5394 1.5439 1.7112 1.7114 1.7840 1.7860 1.9881 1.9891 2.3524 2.3527 8.3396 8.3429 9.1794 9.1855 10.5007 10.5133 11.0871 11.0961 11.4633 11.5114 k = 0.4730 0.2731 0.4415 ( 4462 PWs) bands (ev): -15.9755 -15.9751 -15.5280 -15.5273 -15.1043 -15.1036 -14.5110 -14.5097 -14.4392 -14.4386 -14.3384 -14.3377 -5.7830 -5.7818 -4.7374 -4.7342 -3.6843 -3.6801 -2.2445 -2.2372 -1.8317 -1.8303 -1.7898 -1.7853 -0.3668 -0.3663 -0.2330 -0.2316 0.4909 0.4935 0.7895 0.7914 0.9009 0.9048 1.2533 1.2539 1.3319 1.3338 1.5414 1.5445 1.7119 1.7121 1.7824 1.7837 1.9913 1.9920 2.3544 2.3545 8.3434 8.3456 9.1951 9.1993 10.4920 10.5006 11.0899 11.0956 11.4621 11.4955 k = 0.4865 0.2809 0.4415 ( 4462 PWs) bands (ev): -15.9746 -15.9744 -15.5189 -15.5186 -15.1141 -15.1138 -14.5114 -14.5108 -14.4394 -14.4391 -14.3384 -14.3380 -5.7717 -5.7711 -4.7475 -4.7459 -3.6836 -3.6815 -2.2420 -2.2383 -1.8303 -1.8294 -1.7881 -1.7861 -0.3664 -0.3661 -0.2322 -0.2314 0.4886 0.4899 0.8166 0.8187 0.8758 0.8790 1.2525 1.2528 1.3310 1.3319 1.5429 1.5445 1.7124 1.7125 1.7815 1.7822 1.9933 1.9936 2.3556 2.3556 8.3459 8.3470 9.2051 9.2072 10.4876 10.4919 11.0920 11.0948 11.4651 11.4821 k = 0.5000 0.2887 0.4415 ( 4460 PWs) bands (ev): -15.9743 -15.9743 -15.5157 -15.5157 -15.1174 -15.1174 -14.5113 -14.5113 -14.4394 -14.4394 -14.3383 -14.3383 -5.7677 -5.7677 -4.7504 -4.7504 -3.6827 -3.6827 -2.2399 -2.2399 -1.8295 -1.8295 -1.7869 -1.7869 -0.3661 -0.3661 -0.2316 -0.2316 0.4883 0.4883 0.8369 0.8369 0.8588 0.8588 1.2523 1.2523 1.3310 1.3310 1.5440 1.5440 1.7126 1.7126 1.7815 1.7815 1.9941 1.9941 2.3560 2.3560 8.3471 8.3471 9.2092 9.2092 10.4875 10.4875 11.0936 11.0936 11.4718 11.4718 k = 0.5000 0.2887 0.4415 ( 4460 PWs) bands (ev): -15.9743 -15.9743 -15.5157 -15.5157 -15.1174 -15.1174 -14.5113 -14.5113 -14.4394 -14.4394 -14.3383 -14.3383 -5.7677 -5.7677 -4.7504 -4.7504 -3.6827 -3.6827 -2.2399 -2.2399 -1.8295 -1.8295 -1.7869 -1.7869 -0.3661 -0.3661 -0.2316 -0.2316 0.4883 0.4883 0.8369 0.8369 0.8588 0.8588 1.2523 1.2523 1.3310 1.3310 1.5440 1.5440 1.7126 1.7126 1.7815 1.7815 1.9941 1.9941 2.3560 2.3560 8.3471 8.3471 9.2092 9.2092 10.4875 10.4875 11.0936 11.0936 11.4718 11.4718 k = 0.4924 0.3018 0.4415 ( 4464 PWs) bands (ev): -15.9741 -15.9740 -15.5156 -15.5151 -15.1179 -15.1175 -14.5114 -14.5110 -14.4397 -14.4391 -14.3388 -14.3386 -5.7666 -5.7660 -4.7519 -4.7503 -3.6847 -3.6831 -2.2392 -2.2387 -1.8306 -1.8291 -1.7878 -1.7867 -0.3671 -0.3661 -0.2309 -0.2294 0.4871 0.4881 0.8369 0.8372 0.8588 0.8588 1.2520 1.2532 1.3309 1.3314 1.5438 1.5441 1.7127 1.7130 1.7813 1.7816 1.9942 1.9943 2.3550 2.3552 8.3465 8.3476 9.2093 9.2116 10.4837 10.4861 11.0928 11.0959 11.4719 11.4723 k = 0.4848 0.3149 0.4415 ( 4466 PWs) bands (ev): -15.9735 -15.9732 -15.5149 -15.5139 -15.1192 -15.1183 -14.5113 -14.5104 -14.4401 -14.4390 -14.3402 -14.3397 -5.7629 -5.7616 -4.7547 -4.7517 -3.6890 -3.6858 -2.2366 -2.2356 -1.8324 -1.8294 -1.7895 -1.7872 -0.3688 -0.3670 -0.2274 -0.2244 0.4846 0.4867 0.8372 0.8380 0.8588 0.8588 1.2522 1.2545 1.3312 1.3321 1.5436 1.5442 1.7134 1.7140 1.7812 1.7819 1.9947 1.9949 2.3522 2.3526 8.3458 8.3480 9.2121 9.2167 10.4747 10.4796 11.0936 11.0995 11.4724 11.4729 k = 0.4773 0.3280 0.4415 ( 4462 PWs) bands (ev): -15.9725 -15.9720 -15.5135 -15.5121 -15.1212 -15.1198 -14.5110 -14.5096 -14.4407 -14.4390 -14.3425 -14.3418 -5.7564 -5.7545 -4.7590 -4.7544 -3.6954 -3.6907 -2.2320 -2.2306 -1.8349 -1.8304 -1.7919 -1.7885 -0.3710 -0.3686 -0.2212 -0.2170 0.4809 0.4839 0.8380 0.8392 0.8589 0.8590 1.2524 1.2560 1.3319 1.3335 1.5433 1.5442 1.7145 1.7153 1.7814 1.7824 1.9955 1.9958 2.3476 2.3482 8.3450 8.3483 9.2175 9.2243 10.4609 10.4681 11.0959 11.1045 11.4727 11.4730 k = 0.4697 0.3412 0.4415 ( 4456 PWs) bands (ev): -15.9711 -15.9705 -15.5114 -15.5095 -15.1239 -15.1221 -14.5104 -14.5086 -14.4413 -14.4391 -14.3455 -14.3446 -5.7473 -5.7447 -4.7648 -4.7588 -3.7039 -3.6977 -2.2258 -2.2239 -1.8381 -1.8320 -1.7949 -1.7903 -0.3735 -0.3707 -0.2125 -0.2073 0.4757 0.4798 0.8392 0.8408 0.8592 0.8593 1.2524 1.2572 1.3335 1.3357 1.5429 1.5441 1.7155 1.7164 1.7823 1.7837 1.9967 1.9971 2.3414 2.3421 8.3443 8.3486 9.2255 9.2345 10.4426 10.4519 11.0999 11.1110 11.4717 11.4722 k = 0.4621 0.3543 0.4415 ( 4464 PWs) bands (ev): -15.9693 -15.9685 -15.5087 -15.5064 -15.1273 -15.1251 -14.5096 -14.5073 -14.4421 -14.4393 -14.3494 -14.3482 -5.7356 -5.7324 -4.7721 -4.7647 -3.7141 -3.7066 -2.2178 -2.2156 -1.8421 -1.8344 -1.7986 -1.7927 -0.3760 -0.3730 -0.2018 -0.1958 0.4691 0.4741 0.8408 0.8428 0.8600 0.8601 1.2515 1.2575 1.3363 1.3391 1.5426 1.5440 1.7159 1.7169 1.7845 1.7860 1.9981 1.9986 2.3335 2.3344 8.3435 8.3486 9.2361 9.2472 10.4202 10.4313 11.1057 11.1189 11.4685 11.4703 k = 0.4545 0.3674 0.4415 ( 4464 PWs) bands (ev): -15.9671 -15.9662 -15.5052 -15.5025 -15.1315 -15.1288 -14.5085 -14.5058 -14.4429 -14.4396 -14.3539 -14.3525 -5.7212 -5.7174 -4.7811 -4.7723 -3.7258 -3.7171 -2.2084 -2.2059 -1.8469 -1.8376 -1.8026 -1.7956 -0.3784 -0.3754 -0.1892 -0.1826 0.4610 0.4669 0.8430 0.8454 0.8614 0.8614 1.2494 1.2564 1.3407 1.3440 1.5423 1.5439 1.7152 1.7162 1.7883 1.7899 1.9998 2.0004 2.3241 2.3251 8.3427 8.3487 9.2493 9.2622 10.3941 10.4068 11.1133 11.1284 11.4634 11.4668 k = 0.4470 0.3805 0.4415 ( 4464 PWs) bands (ev): -15.9647 -15.9636 -15.5011 -15.4979 -15.1365 -15.1334 -14.5073 -14.5042 -14.4438 -14.4399 -14.3591 -14.3574 -5.7043 -5.6999 -4.7917 -4.7817 -3.7386 -3.7289 -2.1976 -2.1950 -1.8523 -1.8416 -1.8070 -1.7988 -0.3805 -0.3776 -0.1751 -0.1680 0.4513 0.4580 0.8457 0.8486 0.8635 0.8635 1.2456 1.2534 1.3468 1.3506 1.5419 1.5438 1.7132 1.7140 1.7940 1.7955 2.0018 2.0024 2.3132 2.3145 8.3421 8.3486 9.2649 9.2797 10.3648 10.3790 11.1226 11.1394 11.4564 11.4617 k = 0.4394 0.3936 0.4415 ( 4460 PWs) bands (ev): -15.9619 -15.9608 -15.4961 -15.4925 -15.1423 -15.1388 -14.5058 -14.5023 -14.4447 -14.4404 -14.3648 -14.3630 -5.6850 -5.6799 -4.8041 -4.7930 -3.7523 -3.7418 -2.1856 -2.1829 -1.8585 -1.8465 -1.8116 -1.8024 -0.3822 -0.3796 -0.1596 -0.1522 0.4400 0.4475 0.8491 0.8524 0.8664 0.8665 1.2399 1.2484 1.3546 1.3586 1.5417 1.5437 1.7098 1.7104 1.8016 1.8030 2.0040 2.0046 2.3012 2.3025 8.3415 8.3485 9.2831 9.2994 10.3328 10.3482 11.1337 11.1520 11.4479 11.4552 k = 0.4318 0.4068 0.4415 ( 4456 PWs) bands (ev): -15.9590 -15.9578 -15.4903 -15.4864 -15.1489 -15.1451 -14.5041 -14.5002 -14.4457 -14.4408 -14.3710 -14.3690 -5.6633 -5.6576 -4.8185 -4.8065 -3.7664 -3.7554 -2.1726 -2.1700 -1.8654 -1.8522 -1.8161 -1.8061 -0.3836 -0.3812 -0.1429 -0.1352 0.4271 0.4353 0.8533 0.8570 0.8704 0.8705 1.2325 1.2414 1.3639 1.3679 1.5415 1.5437 1.7050 1.7053 1.8109 1.8121 2.0064 2.0071 2.2880 2.2894 8.3411 8.3484 9.3035 9.3214 10.2984 10.3149 11.1464 11.1659 11.4384 11.4478 k = 0.4242 0.4199 0.4415 ( 4460 PWs) bands (ev): -15.9558 -15.9546 -15.4837 -15.4794 -15.1564 -15.1523 -14.5022 -14.4979 -14.4467 -14.4413 -14.3776 -14.3755 -5.6393 -5.6330 -4.8349 -4.8220 -3.7807 -3.7693 -2.1589 -2.1563 -1.8729 -1.8589 -1.8206 -1.8101 -0.3845 -0.3824 -0.1251 -0.1172 0.4126 0.4215 0.8582 0.8623 0.8754 0.8755 1.2232 1.2324 1.3743 1.3782 1.5414 1.5437 1.6990 1.6991 1.8214 1.8225 2.0090 2.0098 2.2738 2.2754 8.3408 8.3483 9.3263 9.3456 10.2620 10.2794 11.1606 11.1813 11.4282 11.4398 k = 0.4167 0.4330 0.4415 ( 4464 PWs) bands (ev): -15.9526 -15.9513 -15.4761 -15.4716 -15.1648 -15.1604 -14.5001 -14.4955 -14.4478 -14.4419 -14.3845 -14.3822 -5.6130 -5.6062 -4.8535 -4.8399 -3.7947 -3.7832 -2.1445 -2.1422 -1.8810 -1.8664 -1.8248 -1.8141 -0.3850 -0.3833 -0.1063 -0.0982 0.3966 0.4060 0.8640 0.8683 0.8814 0.8815 1.2121 1.2215 1.3854 1.3893 1.5415 1.5439 1.6919 1.6922 1.8328 1.8337 2.0120 2.0128 2.2589 2.2606 8.3406 8.3482 9.3514 9.3718 10.2240 10.2422 11.1761 11.1978 11.4177 11.4316 k = 0.4091 0.4461 0.4415 ( 4460 PWs) bands (ev): -15.9494 -15.9481 -15.4676 -15.4628 -15.1741 -15.1695 -14.4978 -14.4928 -14.4488 -14.4424 -14.3915 -14.3892 -5.5846 -5.5772 -4.8743 -4.8602 -3.8082 -3.7968 -2.1297 -2.1276 -1.8896 -1.8746 -1.8289 -1.8182 -0.3853 -0.3839 -0.0867 -0.0784 0.3791 0.3890 0.8706 0.8753 0.8885 0.8886 1.1993 1.2089 1.3970 1.4007 1.5418 1.5442 1.6839 1.6846 1.8447 1.8455 2.0153 2.0161 2.2435 2.2451 8.3407 8.3481 9.3786 9.4001 10.1847 10.2036 11.1928 11.2154 11.4070 11.4234 k = 0.4015 0.4593 0.4415 ( 4456 PWs) bands (ev): -15.9462 -15.9449 -15.4582 -15.4531 -15.1844 -15.1796 -14.4953 -14.4901 -14.4498 -14.4430 -14.3987 -14.3962 -5.5543 -5.5463 -4.8974 -4.8830 -3.8209 -3.8099 -2.1147 -2.1130 -1.8985 -1.8835 -1.8327 -1.8222 -0.3852 -0.3841 -0.0662 -0.0577 0.3603 0.3705 0.8782 0.8831 0.8965 0.8966 1.1849 1.1945 1.4087 1.4122 1.5424 1.5448 1.6754 1.6764 1.8568 1.8574 2.0191 2.0199 2.2276 2.2293 8.3409 8.3480 9.4078 9.4303 10.1442 10.1637 11.2103 11.2338 11.3965 11.4156 k = 0.3939 0.4724 0.4415 ( 4460 PWs) bands (ev): -15.9431 -15.9419 -15.4477 -15.4425 -15.1958 -15.1907 -14.4926 -14.4871 -14.4508 -14.4435 -14.4059 -14.4033 -5.5220 -5.5135 -4.9229 -4.9083 -3.8326 -3.8221 -2.0996 -2.0983 -1.9077 -1.8929 -1.8362 -1.8262 -0.3849 -0.3842 -0.0450 -0.0363 0.3401 0.3507 0.8867 0.8919 0.9055 0.9055 1.1689 1.1785 1.4202 1.4234 1.5433 1.5459 1.6664 1.6676 1.8686 1.8691 2.0235 2.0243 2.2116 2.2133 8.3413 8.3480 9.4391 9.4623 10.1029 10.1229 11.2285 11.2526 11.3864 11.4083 k = 0.3864 0.4855 0.4415 ( 4476 PWs) bands (ev): -15.9402 -15.9390 -15.4362 -15.4308 -15.2081 -15.2030 -14.4897 -14.4841 -14.4517 -14.4440 -14.4129 -14.4102 -5.4879 -5.4789 -4.9508 -4.9362 -3.8430 -3.8333 -2.0846 -2.0837 -1.9172 -1.9026 -1.8394 -1.8301 -0.3845 -0.3840 -0.0231 -0.0141 0.3187 0.3296 0.8961 0.9016 0.9152 0.9152 1.1513 1.1609 1.4311 1.4341 1.5449 1.5475 1.6569 1.6585 1.8797 1.8802 2.0288 2.0296 2.1955 2.1972 8.3419 8.3481 9.4722 9.4962 10.0609 10.0812 11.2470 11.2713 11.3769 11.4020 k = 0.3788 0.4986 0.4415 ( 4480 PWs) bands (ev): -15.9374 -15.9364 -15.4235 -15.4180 -15.2215 -15.2162 -14.4867 -14.4810 -14.4526 -14.4445 -14.4197 -14.4168 -5.4522 -5.4426 -4.9810 -4.9666 -3.8520 -3.8433 -2.0699 -2.0695 -1.9267 -1.9127 -1.8422 -1.8338 -0.3840 -0.3836 -0.0005 0.0088 0.2963 0.3074 0.9065 0.9122 0.9255 0.9256 1.1321 1.1417 1.4411 1.4438 1.5471 1.5499 1.6472 1.6490 1.8899 1.8902 2.0350 2.0358 2.1797 2.1813 8.3425 8.3481 9.5072 9.5317 10.0183 10.0389 11.2653 11.2893 11.3680 11.3969 k = 0.3712 0.5117 0.4415 ( 4480 PWs) bands (ev): -15.9350 -15.9341 -15.4098 -15.4042 -15.2359 -15.2306 -14.4835 -14.4779 -14.4535 -14.4450 -14.4261 -14.4231 -5.4149 -5.4048 -5.0135 -4.9995 -3.8595 -3.8520 -2.0557 -2.0557 -1.9362 -1.9228 -1.8446 -1.8373 -0.3834 -0.3832 0.0227 0.0323 0.2730 0.2842 0.9178 0.9238 0.9363 0.9365 1.1115 1.1210 1.4499 1.4522 1.5504 1.5533 1.6373 1.6394 1.8986 1.8989 2.0424 2.0431 2.1642 2.1656 8.3434 8.3482 9.5438 9.5689 9.9754 9.9961 11.2830 11.3058 11.3600 11.3936 k = 0.3636 0.5249 0.4415 ( 4476 PWs) bands (ev): -15.9329 -15.9321 -15.3949 -15.3892 -15.2514 -15.2461 -14.4803 -14.4749 -14.4543 -14.4454 -14.4321 -14.4286 -5.3762 -5.3656 -5.0483 -5.0347 -3.8655 -3.8592 -2.0427 -2.0422 -1.9456 -1.9329 -1.8466 -1.8404 -0.3829 -0.3828 0.0464 0.0564 0.2489 0.2602 0.9301 0.9363 0.9476 0.9479 1.0895 1.0989 1.4571 1.4590 1.5549 1.5581 1.6273 1.6296 1.9058 1.9061 2.0510 2.0516 2.1491 2.1504 8.3442 8.3482 9.5819 9.6076 9.9322 9.9529 11.2994 11.3195 11.3531 11.3926 k = 0.3561 0.5380 0.4415 ( 4476 PWs) bands (ev): -15.9312 -15.9306 -15.3789 -15.3732 -15.2679 -15.2626 -14.4770 -14.4722 -14.4552 -14.4460 -14.4374 -14.4333 -5.3362 -5.3250 -5.0853 -5.0722 -3.8699 -3.8650 -2.0307 -2.0298 -1.9545 -1.9425 -1.8480 -1.8431 -0.3824 -0.3824 0.0707 0.0811 0.2242 0.2355 0.9433 0.9495 0.9590 0.9597 1.0661 1.0755 1.4627 1.4640 1.5607 1.5642 1.6171 1.6197 1.9113 1.9115 2.0607 2.0613 2.1346 2.1358 8.3451 8.3482 9.6213 9.6478 9.8890 9.9093 11.3139 11.3296 11.3473 11.3940 k = 0.3485 0.5511 0.4415 ( 4472 PWs) bands (ev): -15.9299 -15.9295 -15.3618 -15.3560 -15.2853 -15.2802 -14.4737 -14.4700 -14.4562 -14.4466 -14.4417 -14.4366 -5.2951 -5.2833 -5.1241 -5.1119 -3.8727 -3.8694 -2.0202 -2.0192 -1.9626 -1.9512 -1.8488 -1.8454 -0.3820 -0.3820 0.0954 0.1062 0.1990 0.2103 0.9573 0.9632 0.9706 0.9719 1.0415 1.0508 1.4665 1.4673 1.5678 1.5716 1.6070 1.6097 1.9151 1.9152 2.0715 2.0720 2.1208 2.1217 8.3460 8.3481 9.6615 9.6894 9.8462 9.8653 11.3255 11.3358 11.3428 11.3971 k = 0.3409 0.5642 0.4415 ( 4468 PWs) bands (ev): -15.9291 -15.9289 -15.3437 -15.3378 -15.3036 -15.2988 -14.4709 -14.4689 -14.4573 -14.4469 -14.4447 -14.4384 -5.2534 -5.2406 -5.1645 -5.1535 -3.8740 -3.8723 -2.0123 -2.0117 -1.9688 -1.9577 -1.8490 -1.8472 -0.3818 -0.3818 0.1203 0.1317 0.1737 0.1847 0.9720 0.9767 0.9821 0.9850 1.0158 1.0251 1.4686 1.4690 1.5760 1.5803 1.5972 1.5998 1.9172 1.9173 2.0831 2.0835 2.1076 2.1083 8.3468 8.3478 9.7008 9.7321 9.8055 9.8212 11.3333 11.3387 11.3399 11.4001 k = 0.3333 0.5774 0.4415 ( 4476 PWs) bands (ev): -15.9288 -15.9288 -15.3284 -15.3189 -15.3189 -15.3179 -14.4691 -14.4691 -14.4580 -14.4464 -14.4464 -14.4390 -5.2199 -5.1974 -5.1974 -5.1964 -3.8738 -3.8738 -2.0090 -2.0090 -1.9712 -1.9602 -1.8484 -1.8484 -0.3817 -0.3817 0.1402 0.1535 0.1535 0.1631 0.9861 0.9884 0.9884 0.9956 0.9956 1.0032 1.4694 1.4694 1.5824 1.5897 1.5901 1.5901 1.9179 1.9179 2.0948 2.0956 2.0956 2.0956 8.3474 8.3474 9.7252 9.7721 9.7807 9.7807 11.3357 11.3394 11.3394 11.4013 k = 0.3333 0.5774 0.4415 ( 4476 PWs) bands (ev): -15.9288 -15.9288 -15.3284 -15.3189 -15.3189 -15.3179 -14.4691 -14.4691 -14.4580 -14.4464 -14.4464 -14.4390 -5.2199 -5.1974 -5.1974 -5.1964 -3.8738 -3.8738 -2.0090 -2.0090 -1.9712 -1.9602 -1.8484 -1.8484 -0.3817 -0.3817 0.1402 0.1535 0.1535 0.1631 0.9861 0.9884 0.9884 0.9956 0.9956 1.0032 1.4694 1.4694 1.5824 1.5897 1.5901 1.5901 1.9179 1.9179 2.0948 2.0956 2.0956 2.0956 8.3474 8.3474 9.7252 9.7721 9.7807 9.7807 11.3357 11.3394 11.3394 11.4013 k = 0.3256 0.5639 0.4415 ( 4468 PWs) bands (ev): -15.9291 -15.9289 -15.3450 -15.3394 -15.3020 -15.2974 -14.4706 -14.4692 -14.4570 -14.4468 -14.4449 -14.4385 -5.2555 -5.2430 -5.1620 -5.1514 -3.8740 -3.8723 -2.0123 -2.0115 -1.9689 -1.9578 -1.8490 -1.8471 -0.3818 -0.3818 0.1194 0.1311 0.1743 0.1857 0.9599 0.9681 1.0008 1.0015 1.0088 1.0174 1.4687 1.4691 1.5753 1.5799 1.5974 1.6005 1.9173 1.9173 2.0832 2.0832 2.1079 2.1082 8.3467 8.3478 9.6993 9.7303 9.8071 9.8228 11.3344 11.3378 11.3394 11.4002 k = 0.3178 0.5505 0.4415 ( 4468 PWs) bands (ev): -15.9300 -15.9296 -15.3665 -15.3613 -15.2800 -15.2753 -14.4728 -14.4710 -14.4548 -14.4461 -14.4429 -14.4369 -5.3018 -5.2907 -5.1167 -5.1051 -3.8729 -3.8693 -2.0198 -2.0179 -1.9637 -1.9524 -1.8489 -1.8450 -0.3821 -0.3820 0.0932 0.1046 0.2009 0.2129 0.9307 0.9388 1.0121 1.0122 1.0257 1.0353 1.4672 1.4679 1.5655 1.5701 1.6082 1.6116 1.9154 1.9155 2.0716 2.0718 2.1205 2.1207 8.3457 8.3480 9.6568 9.6841 9.8510 9.8700 11.3288 11.3331 11.3405 11.3979 k = 0.3101 0.5371 0.4415 ( 4472 PWs) bands (ev): -15.9315 -15.9308 -15.3890 -15.3840 -15.2568 -15.2522 -14.4752 -14.4732 -14.4524 -14.4441 -14.4410 -14.4342 -5.3499 -5.3397 -5.0703 -5.0582 -3.8705 -3.8652 -2.0295 -2.0261 -1.9579 -1.9460 -1.8480 -1.8420 -0.3826 -0.3825 0.0670 0.0782 0.2279 0.2403 0.9007 0.9086 1.0219 1.0220 1.0442 1.0543 1.4652 1.4661 1.5556 1.5604 1.6196 1.6231 1.9126 1.9127 2.0605 2.0611 2.1330 2.1331 8.3444 8.3477 9.6117 9.6375 9.8982 9.9183 11.3183 11.3240 11.3439 11.3969 k = 0.3023 0.5236 0.4415 ( 4476 PWs) bands (ev): -15.9334 -15.9325 -15.4122 -15.4074 -15.2325 -15.2280 -14.4775 -14.4754 -14.4503 -14.4411 -14.4393 -14.4307 -5.3992 -5.3898 -5.0233 -5.0108 -3.8670 -3.8600 -2.0402 -2.0351 -1.9526 -1.9398 -1.8463 -1.8382 -0.3833 -0.3831 0.0411 0.0521 0.2553 0.2680 0.8701 0.8778 1.0307 1.0308 1.0637 1.0742 1.4628 1.4639 1.5459 1.5509 1.6313 1.6348 1.9088 1.9089 2.0499 2.0510 2.1450 2.1451 8.3427 8.3470 9.5655 9.5905 9.9469 9.9673 11.3041 11.3099 11.3495 11.3990 k = 0.2946 0.5102 0.4415 ( 4460 PWs) bands (ev): -15.9359 -15.9347 -15.4361 -15.4316 -15.2071 -15.2029 -14.4795 -14.4773 -14.4484 -14.4375 -14.4372 -14.4266 -5.4495 -5.4409 -4.9757 -4.9631 -3.8625 -3.8537 -2.0515 -2.0444 -1.9482 -1.9345 -1.8439 -1.8335 -0.3841 -0.3840 0.0158 0.0266 0.2828 0.2957 0.8392 0.8466 1.0385 1.0386 1.0839 1.0947 1.4602 1.4616 1.5363 1.5417 1.6432 1.6466 1.9043 1.9044 2.0399 2.0414 2.1564 2.1565 8.3405 8.3459 9.5188 9.5430 9.9966 10.0171 11.2874 11.2919 11.3572 11.4045 k = 0.2868 0.4968 0.4415 ( 4456 PWs) bands (ev): -15.9388 -15.9375 -15.4606 -15.4563 -15.1808 -15.1768 -14.4812 -14.4788 -14.4464 -14.4357 -14.4329 -14.4222 -5.5007 -5.4927 -4.9278 -4.9150 -3.8570 -3.8465 -2.0632 -2.0540 -1.9451 -1.9305 -1.8406 -1.8279 -0.3851 -0.3850 -0.0087 0.0019 0.3103 0.3234 0.8081 0.8152 1.0451 1.0453 1.1048 1.1158 1.4577 1.4592 1.5271 1.5327 1.6551 1.6584 1.8991 1.8992 2.0302 2.0321 2.1672 2.1672 8.3377 8.3441 9.4716 9.4951 10.0470 10.0674 11.2691 11.2713 11.3671 11.4132 k = 0.2791 0.4834 0.4415 ( 4456 PWs) bands (ev): -15.9422 -15.9407 -15.4856 -15.4814 -15.1537 -15.1498 -14.4825 -14.4800 -14.4443 -14.4336 -14.4283 -14.4176 -5.5526 -5.5452 -4.8797 -4.8668 -3.8507 -3.8385 -2.0750 -2.0636 -1.9435 -1.9278 -1.8366 -1.8215 -0.3862 -0.3861 -0.0321 -0.0218 0.3379 0.3510 0.7769 0.7836 1.0505 1.0509 1.1262 1.1374 1.4553 1.4569 1.5181 1.5239 1.6669 1.6700 1.8932 1.8934 2.0209 2.0233 2.1771 2.1772 8.3345 8.3418 9.4238 9.4467 10.0978 10.1181 11.2495 11.2503 11.3792 11.4247 k = 0.2713 0.4699 0.4415 ( 4456 PWs) bands (ev): -15.9461 -15.9444 -15.5110 -15.5070 -15.1257 -15.1221 -14.4835 -14.4808 -14.4420 -14.4314 -14.4236 -14.4128 -5.6049 -5.5982 -4.8314 -4.8185 -3.8437 -3.8298 -2.0869 -2.0734 -1.9435 -1.9268 -1.8317 -1.8143 -0.3873 -0.3873 -0.0544 -0.0443 0.3653 0.3785 0.7458 0.7522 1.0547 1.0552 1.1480 1.1594 1.4531 1.4548 1.5094 1.5155 1.6785 1.6813 1.8869 1.8870 2.0118 2.0147 2.1862 2.1864 8.3306 8.3388 9.3755 9.3977 10.1489 10.1692 11.2273 11.2316 11.3935 11.4387 k = 0.2636 0.4565 0.4415 ( 4448 PWs) bands (ev): -15.9503 -15.9484 -15.5366 -15.5329 -15.0970 -15.0936 -14.4840 -14.4812 -14.4395 -14.4289 -14.4187 -14.4080 -5.6577 -5.6514 -4.7831 -4.7701 -3.8359 -3.8205 -2.0990 -2.0833 -1.9453 -1.9275 -1.8261 -1.8062 -0.3885 -0.3884 -0.0754 -0.0655 0.3927 0.4057 0.7150 0.7210 1.0576 1.0583 1.1701 1.1816 1.4513 1.4530 1.5010 1.5073 1.6896 1.6922 1.8800 1.8802 2.0030 2.0065 2.1944 2.1947 8.3262 8.3352 9.3267 9.3482 10.2001 10.2203 11.2054 11.2135 11.4101 11.4551 k = 0.2558 0.4431 0.4415 ( 4448 PWs) bands (ev): -15.9550 -15.9529 -15.5625 -15.5590 -15.0676 -15.0645 -14.4843 -14.4813 -14.4368 -14.4263 -14.4138 -14.4031 -5.7106 -5.7049 -4.7347 -4.7218 -3.8276 -3.8106 -2.1111 -2.0932 -1.9490 -1.9301 -1.8198 -1.7975 -0.3897 -0.3894 -0.0947 -0.0851 0.4199 0.4326 0.6847 0.6902 1.0592 1.0601 1.1925 1.2039 1.4499 1.4516 1.4929 1.4995 1.7003 1.7025 1.8727 1.8729 1.9946 1.9985 2.2018 2.2021 8.3211 8.3308 9.2775 9.2982 10.2512 10.2713 11.1843 11.1964 11.4288 11.4737 k = 0.2481 0.4297 0.4415 ( 4452 PWs) bands (ev): -15.9599 -15.9578 -15.5885 -15.5852 -15.0377 -15.0348 -14.4841 -14.4810 -14.4338 -14.4234 -14.4088 -14.3982 -5.7636 -5.7584 -4.6865 -4.6737 -3.8188 -3.8003 -2.1232 -2.1033 -1.9546 -1.9346 -1.8127 -1.7881 -0.3908 -0.3902 -0.1124 -0.1031 0.4468 0.4592 0.6548 0.6599 1.0595 1.0606 1.2148 1.2262 1.4489 1.4506 1.4851 1.4919 1.7102 1.7120 1.8651 1.8653 1.9864 1.9909 2.2084 2.2087 8.3154 8.3257 9.2277 9.2477 10.3019 10.3220 11.1643 11.1805 11.4497 11.4946 k = 0.2403 0.4162 0.4415 ( 4452 PWs) bands (ev): -15.9652 -15.9630 -15.6146 -15.6114 -15.0072 -15.0045 -14.4837 -14.4805 -14.4307 -14.4204 -14.4038 -14.3933 -5.8165 -5.8118 -4.6384 -4.6258 -3.8096 -3.7897 -2.1353 -2.1133 -1.9621 -1.9411 -1.8051 -1.7781 -0.3918 -0.3909 -0.1283 -0.1192 0.4734 0.4854 0.6256 0.6304 1.0587 1.0599 1.2371 1.2483 1.4485 1.4501 1.4777 1.4846 1.7191 1.7206 1.8571 1.8574 1.9786 1.9837 2.2141 2.2145 8.3091 8.3200 9.1776 9.1968 10.3521 10.3723 11.1455 11.1659 11.4726 11.5174 k = 0.2326 0.4028 0.4415 ( 4456 PWs) bands (ev): -15.9708 -15.9685 -15.6406 -15.6376 -14.9763 -14.9739 -14.4830 -14.4796 -14.4273 -14.4172 -14.3987 -14.3884 -5.8693 -5.8650 -4.5905 -4.5781 -3.8001 -3.7787 -2.1475 -2.1235 -1.9717 -1.9496 -1.7970 -1.7678 -0.3924 -0.3911 -0.1423 -0.1334 0.4996 0.5111 0.5973 0.6017 1.0566 1.0580 1.2591 1.2701 1.4486 1.4498 1.4708 1.4776 1.7269 1.7280 1.8489 1.8493 1.9713 1.9770 2.2191 2.2195 8.3023 8.3136 9.1271 9.1455 10.4014 10.4219 11.1280 11.1527 11.4974 11.5422 k = 0.2248 0.3894 0.4415 ( 4456 PWs) bands (ev): -15.9766 -15.9742 -15.6665 -15.6637 -14.9451 -14.9429 -14.4820 -14.4786 -14.4237 -14.4138 -14.3937 -14.3835 -5.9218 -5.9178 -4.5428 -4.5307 -3.7902 -3.7676 -2.1596 -2.1338 -1.9832 -1.9601 -1.7885 -1.7571 -0.3926 -0.3910 -0.1542 -0.1457 0.5252 0.5360 0.5701 0.5741 1.0534 1.0549 1.2807 1.2914 1.4492 1.4497 1.4646 1.4710 1.7334 1.7340 1.8406 1.8410 1.9646 1.9709 2.2234 2.2238 8.2949 8.3066 9.0764 9.0940 10.4498 10.4706 11.1118 11.1407 11.5238 11.5687 k = 0.2171 0.3759 0.4415 ( 4466 PWs) bands (ev): -15.9827 -15.9802 -15.6921 -15.6895 -14.9136 -14.9117 -14.4808 -14.4773 -14.4200 -14.4103 -14.3887 -14.3787 -5.9738 -5.9702 -4.4955 -4.4837 -3.7802 -3.7563 -2.1718 -2.1441 -1.9967 -1.9725 -1.7798 -1.7464 -0.3924 -0.3903 -0.1642 -0.1559 0.5418 0.5420 0.5559 0.5625 1.0492 1.0508 1.3016 1.3120 1.4485 1.4501 1.4602 1.4647 1.7382 1.7384 1.8321 1.8326 1.9586 1.9655 2.2271 2.2276 8.2870 8.2990 9.0255 9.0423 10.4970 10.5182 11.0968 11.1298 11.5516 11.5965 k = 0.2093 0.3625 0.4415 ( 4462 PWs) bands (ev): -15.9889 -15.9863 -15.7175 -15.7151 -14.8820 -14.8803 -14.4794 -14.4758 -14.4161 -14.4066 -14.3837 -14.3739 -6.0253 -6.0221 -4.4485 -4.4371 -3.7700 -3.7450 -2.1839 -2.1546 -2.0119 -1.9868 -1.7710 -1.7357 -0.3916 -0.3889 -0.1721 -0.1641 0.5171 0.5197 0.5775 0.5860 1.0441 1.0457 1.3217 1.3318 1.4450 1.4511 1.4589 1.4593 1.7411 1.7413 1.8235 1.8242 1.9535 1.9608 2.2304 2.2308 8.2787 8.2908 8.9746 8.9905 10.5427 10.5645 11.0829 11.1197 11.5802 11.6255 k = 0.2016 0.3491 0.4415 ( 4444 PWs) bands (ev): -15.9952 -15.9926 -15.7425 -15.7403 -14.8503 -14.8489 -14.4778 -14.4742 -14.4120 -14.4028 -14.3787 -14.3692 -6.0762 -6.0733 -4.4019 -4.3909 -3.7597 -3.7336 -2.1961 -2.1652 -2.0287 -2.0027 -1.7623 -1.7252 -0.3900 -0.3869 -0.1781 -0.1704 0.4929 0.4953 0.6018 0.6097 1.0381 1.0398 1.3405 1.3505 1.4397 1.4497 1.4571 1.4600 1.7419 1.7424 1.8151 1.8158 1.9492 1.9569 2.2333 2.2337 8.2701 8.2823 8.9237 8.9389 10.5868 10.6094 11.0701 11.1103 11.6091 11.6551 k = 0.1938 0.3357 0.4415 ( 4448 PWs) bands (ev): -16.0016 -15.9990 -15.7672 -15.7650 -14.8187 -14.8175 -14.4761 -14.4724 -14.4079 -14.3989 -14.3738 -14.3645 -6.1263 -6.1237 -4.3558 -4.3452 -3.7494 -3.7223 -2.2083 -2.1760 -2.0469 -2.0201 -1.7538 -1.7152 -0.3876 -0.3839 -0.1822 -0.1748 0.4698 0.4720 0.6259 0.6328 1.0315 1.0332 1.3578 1.3679 1.4338 1.4453 1.4586 1.4623 1.7410 1.7416 1.8067 1.8076 1.9458 1.9538 2.2359 2.2363 8.2611 8.2733 8.8731 8.8875 10.6290 10.6527 11.0582 11.1014 11.6376 11.6848 k = 0.1860 0.3222 0.4415 ( 4452 PWs) bands (ev): -16.0081 -16.0055 -15.7913 -15.7893 -14.7872 -14.7862 -14.4742 -14.4706 -14.4036 -14.3950 -14.3690 -14.3600 -6.1756 -6.1732 -4.3101 -4.3001 -3.7391 -3.7111 -2.2206 -2.1871 -2.0665 -2.0390 -1.7457 -1.7056 -0.3843 -0.3800 -0.1846 -0.1774 0.4480 0.4499 0.6495 0.6554 1.0244 1.0260 1.3731 1.3838 1.4278 1.4409 1.4613 1.4652 1.7383 1.7390 1.7986 1.7997 1.9432 1.9514 2.2384 2.2387 8.2519 8.2640 8.8229 8.8366 10.6692 10.6941 11.0472 11.0927 11.6646 11.7141 k = 0.1783 0.3088 0.4415 ( 4468 PWs) bands (ev): -16.0146 -16.0121 -15.8149 -15.8130 -14.7559 -14.7552 -14.4723 -14.4686 -14.3993 -14.3910 -14.3643 -14.3555 -6.2239 -6.2217 -4.2649 -4.2554 -3.7289 -3.7001 -2.2329 -2.1983 -2.0870 -2.0590 -1.7382 -1.6968 -0.3799 -0.3751 -0.1855 -0.1785 0.4276 0.4292 0.6726 0.6775 1.0168 1.0184 1.3852 1.3975 1.4220 1.4377 1.4645 1.4686 1.7340 1.7347 1.7909 1.7921 1.9412 1.9495 2.2408 2.2411 8.2425 8.2545 8.7732 8.7862 10.7072 10.7336 11.0371 11.0843 11.6893 11.7421 k = 0.1705 0.2954 0.4415 ( 4464 PWs) bands (ev): -16.0211 -16.0186 -15.8378 -15.8361 -14.7249 -14.7245 -14.4702 -14.4666 -14.3949 -14.3870 -14.3597 -14.3512 -6.2711 -6.2692 -4.2203 -4.2114 -3.7188 -3.6893 -2.2452 -2.2099 -2.1083 -2.0800 -1.7313 -1.6889 -0.3745 -0.3691 -0.1849 -0.1782 0.4086 0.4099 0.6952 0.6990 1.0091 1.0106 1.3930 1.4066 1.4191 1.4370 1.4680 1.4722 1.7284 1.7290 1.7837 1.7850 1.9397 1.9479 2.2433 2.2435 8.2330 8.2448 8.7243 8.7365 10.7428 10.7711 11.0280 11.0760 11.7109 11.7683 k = 0.1628 0.2820 0.4415 ( 4460 PWs) bands (ev): -16.0276 -16.0251 -15.8601 -15.8585 -14.6943 -14.6942 -14.4682 -14.4645 -14.3904 -14.3829 -14.3552 -14.3470 -6.3172 -6.3155 -4.1762 -4.1680 -3.7089 -3.6788 -2.2576 -2.2219 -2.1301 -2.1018 -1.7251 -1.6819 -0.3678 -0.3620 -0.1831 -0.1767 0.3910 0.3921 0.7172 0.7199 1.0013 1.0026 1.3953 1.4047 1.4252 1.4397 1.4715 1.4759 1.7219 1.7222 1.7770 1.7786 1.9383 1.9464 2.2459 2.2461 8.2235 8.2351 8.6762 8.6878 10.7758 10.8065 11.0201 11.0681 11.7288 11.7920 k = 0.1550 0.2685 0.4415 ( 4468 PWs) bands (ev): -16.0340 -16.0316 -15.8817 -15.8802 -14.6645 -14.6643 -14.4660 -14.4624 -14.3860 -14.3789 -14.3508 -14.3429 -6.3620 -6.3605 -4.1328 -4.1253 -3.6991 -3.6687 -2.2701 -2.2343 -2.1521 -2.1241 -1.7198 -1.6760 -0.3599 -0.3537 -0.1804 -0.1743 0.3750 0.3759 0.7386 0.7402 0.9935 0.9947 1.3930 1.3986 1.4332 1.4447 1.4749 1.4795 1.7147 1.7147 1.7712 1.7728 1.9369 1.9448 2.2488 2.2488 8.2141 8.2254 8.6292 8.6401 10.8059 10.8397 11.0136 11.0604 11.7428 11.8125 k = 0.1473 0.2551 0.4415 ( 4472 PWs) bands (ev): -16.0403 -16.0380 -15.9025 -15.9011 -14.6354 -14.6350 -14.4639 -14.4603 -14.3815 -14.3749 -14.3465 -14.3390 -6.4054 -6.4041 -4.0901 -4.0833 -3.6896 -3.6589 -2.2827 -2.2473 -2.1740 -2.1468 -1.7155 -1.6712 -0.3509 -0.3442 -0.1770 -0.1712 0.3604 0.3612 0.7595 0.7600 0.9861 0.9871 1.3880 1.3915 1.4399 1.4499 1.4781 1.4828 1.7068 1.7072 1.7661 1.7679 1.9352 1.9428 2.2518 2.2519 8.2049 8.2158 8.5834 8.5937 10.8330 10.8705 11.0088 11.0533 11.7526 11.8294 k = 0.1395 0.2417 0.4415 ( 4472 PWs) bands (ev): -16.0465 -16.0442 -15.9225 -15.9213 -14.6071 -14.6063 -14.4617 -14.4582 -14.3771 -14.3709 -14.3424 -14.3352 -6.4474 -6.4462 -4.0482 -4.0421 -3.6803 -3.6496 -2.2954 -2.2610 -2.1953 -2.1695 -1.7120 -1.6676 -0.3406 -0.3336 -0.1731 -0.1675 0.3473 0.3480 0.7791 0.7797 0.9792 0.9799 1.3815 1.3840 1.4446 1.4542 1.4807 1.4855 1.6991 1.6999 1.7620 1.7639 1.9331 1.9404 2.2550 2.2553 8.1958 8.2063 8.5390 8.5487 10.8566 10.8991 11.0063 11.0468 11.7579 11.8426 k = 0.1318 0.2283 0.4415 ( 4470 PWs) bands (ev): -16.0525 -16.0503 -15.9417 -15.9405 -14.5797 -14.5786 -14.4596 -14.4561 -14.3726 -14.3670 -14.3384 -14.3316 -6.4878 -6.4867 -4.0072 -4.0017 -3.6714 -3.6407 -2.3081 -2.2755 -2.2159 -2.1920 -1.7094 -1.6652 -0.3292 -0.3220 -0.1689 -0.1635 0.3357 0.3364 0.7978 0.7993 0.9728 0.9733 1.3740 1.3760 1.4474 1.4569 1.4825 1.4874 1.6918 1.6931 1.7589 1.7608 1.9304 1.9374 2.2585 2.2589 8.1870 8.1971 8.4961 8.5053 10.8764 10.9253 11.0065 11.0413 11.7581 11.8521 k = 0.1240 0.2148 0.4415 ( 4462 PWs) bands (ev): -16.0583 -16.0562 -15.9599 -15.9589 -14.5534 -14.5518 -14.4574 -14.4539 -14.3682 -14.3632 -14.3346 -14.3281 -6.5266 -6.5256 -3.9671 -3.9623 -3.6627 -3.6323 -2.3209 -2.2909 -2.2355 -2.2143 -1.7078 -1.6640 -0.3167 -0.3093 -0.1646 -0.1595 0.3256 0.3262 0.8158 0.8183 0.9673 0.9675 1.3658 1.3677 1.4484 1.4580 1.4831 1.4882 1.6854 1.6872 1.7569 1.7587 1.9270 1.9336 2.2623 2.2628 8.1786 8.1882 8.4549 8.4635 10.8922 10.9491 11.0099 11.0369 11.7527 11.8577 k = 0.1163 0.2014 0.4415 ( 4458 PWs) bands (ev): -16.0639 -16.0619 -15.9773 -15.9763 -14.5282 -14.5261 -14.4553 -14.4517 -14.3639 -14.3595 -14.3309 -14.3248 -6.5635 -6.5627 -3.9280 -3.9240 -3.6544 -3.6245 -2.3338 -2.3069 -2.2539 -2.2360 -1.7069 -1.6640 -0.3033 -0.2959 -0.1604 -0.1555 0.3168 0.3175 0.8332 0.8365 0.9626 0.9627 1.3570 1.3591 1.4475 1.4575 1.4824 1.4876 1.6804 1.6826 1.7557 1.7575 1.9228 1.9291 2.2663 2.2669 8.1705 8.1796 8.4156 8.4236 10.9042 10.9703 11.0163 11.0341 11.7413 11.8580 k = 0.1085 0.1880 0.4415 ( 4446 PWs) bands (ev): -16.0692 -16.0673 -15.9936 -15.9927 -14.5045 -14.5018 -14.4531 -14.4493 -14.3596 -14.3558 -14.3274 -14.3217 -6.5987 -6.5979 -3.8901 -3.8867 -3.6465 -3.6173 -2.3467 -2.3236 -2.2711 -2.2570 -1.7068 -1.6649 -0.2892 -0.2817 -0.1564 -0.1518 0.3093 0.3100 0.8500 0.8541 0.9588 0.9592 1.3479 1.3501 1.4451 1.4553 1.4801 1.4853 1.6771 1.6796 1.7555 1.7571 1.9178 1.9238 2.2704 2.2711 8.1629 8.1715 8.3782 8.3856 10.9132 10.9887 11.0251 11.0332 11.7239 11.8460 k = 0.1008 0.1745 0.4415 ( 4450 PWs) bands (ev): -16.0743 -16.0725 -16.0090 -16.0082 -14.4827 -14.4791 -14.4506 -14.4465 -14.3554 -14.3523 -14.3241 -14.3187 -6.6318 -6.6312 -3.8535 -3.8508 -3.6390 -3.6106 -2.3595 -2.3404 -2.2873 -2.2772 -1.7074 -1.6669 -0.2744 -0.2671 -0.1528 -0.1484 0.3029 0.3037 0.8662 0.8709 0.9561 0.9568 1.3384 1.3409 1.4413 1.4517 1.4761 1.4813 1.6757 1.6784 1.7561 1.7575 1.9119 1.9176 2.2746 2.2754 8.1557 8.1637 8.3428 8.3497 10.9205 11.0036 11.0350 11.0355 11.7010 11.8173 k = 0.0930 0.1611 0.4415 ( 4454 PWs) bands (ev): -16.0791 -16.0774 -16.0233 -16.0226 -14.4643 -14.4599 -14.4462 -14.4418 -14.3512 -14.3488 -14.3210 -14.3160 -6.6630 -6.6624 -3.8183 -3.8162 -3.6319 -3.6046 -2.3722 -2.3571 -2.3026 -2.2964 -1.7084 -1.6696 -0.2593 -0.2521 -0.1495 -0.1454 0.2976 0.2985 0.8817 0.8869 0.9546 0.9556 1.3288 1.3315 1.4365 1.4469 1.4705 1.4755 1.6763 1.6791 1.7573 1.7584 1.9052 1.9105 2.2789 2.2798 8.1490 8.1565 8.3097 8.3161 10.9269 11.0142 11.0406 11.0464 11.6737 11.7814 k = 0.0853 0.1477 0.4415 ( 4450 PWs) bands (ev): -16.0835 -16.0820 -16.0366 -16.0360 -14.4531 -14.4511 -14.4329 -14.4316 -14.3470 -14.3454 -14.3180 -14.3134 -6.6920 -6.6915 -3.7847 -3.7832 -3.6252 -3.5993 -2.3847 -2.3732 -2.3172 -2.3144 -1.7098 -1.6730 -0.2441 -0.2371 -0.1467 -0.1428 0.2932 0.2941 0.8964 0.9020 0.9544 0.9556 1.3192 1.3222 1.4307 1.4410 1.4634 1.4681 1.6789 1.6815 1.7590 1.7599 1.8977 1.9027 2.2831 2.2841 8.1428 8.1498 8.2789 8.2847 10.9333 11.0213 11.0494 11.0574 11.6432 11.7427 k = 0.0775 0.1343 0.4415 ( 4446 PWs) bands (ev): -16.0877 -16.0863 -16.0488 -16.0483 -14.4484 -14.4483 -14.4168 -14.4156 -14.3428 -14.3420 -14.3152 -14.3111 -6.7188 -6.7183 -3.7530 -3.7520 -3.6189 -3.5945 -2.3969 -2.3886 -2.3312 -2.3311 -1.7115 -1.6769 -0.2289 -0.2223 -0.1443 -0.1407 0.2895 0.2905 0.9104 0.9163 0.9554 0.9569 1.3097 1.3129 1.4244 1.4343 1.4552 1.4595 1.6832 1.6857 1.7610 1.7616 1.8895 1.8941 2.2873 2.2882 8.1372 8.1436 8.2504 8.2557 10.9404 11.0270 11.0592 11.0679 11.6108 11.7029 k = 0.0698 0.1208 0.4415 ( 4442 PWs) bands (ev): -16.0915 -16.0902 -16.0600 -16.0594 -14.4464 -14.4460 -14.4019 -14.3993 -14.3386 -14.3384 -14.3125 -14.3088 -6.7433 -6.7429 -3.7233 -3.7227 -3.6131 -3.5905 -2.4086 -2.4028 -2.3468 -2.3444 -1.7133 -1.6813 -0.2141 -0.2078 -0.1423 -0.1390 0.2865 0.2875 0.9235 0.9295 0.9576 0.9593 1.3006 1.3039 1.4178 1.4271 1.4463 1.4498 1.6891 1.6913 1.7633 1.7637 1.8805 1.8848 2.2912 2.2921 8.1321 8.1379 8.2245 8.2292 10.9484 11.0327 11.0687 11.0777 11.5774 11.6628 k = 0.0620 0.1074 0.4415 ( 4448 PWs) bands (ev): -16.0949 -16.0938 -16.0700 -16.0695 -14.4449 -14.4442 -14.3884 -14.3849 -14.3349 -14.3339 -14.3100 -14.3068 -6.7654 -6.7651 -3.6958 -3.6955 -3.6077 -3.5870 -2.4197 -2.4159 -2.3609 -2.3570 -1.7150 -1.6859 -0.2000 -0.1941 -0.1406 -0.1377 0.2839 0.2850 0.9357 0.9416 0.9608 0.9626 1.2919 1.2953 1.4110 1.4194 1.4369 1.4396 1.6963 1.6982 1.7656 1.7658 1.8709 1.8748 2.2949 2.2958 8.1276 8.1328 8.2011 8.2053 10.9574 11.0387 11.0777 11.0869 11.5441 11.6232 k = 0.0543 0.0940 0.4415 ( 4448 PWs) bands (ev): -16.0980 -16.0970 -16.0788 -16.0784 -14.4436 -14.4429 -14.3770 -14.3729 -14.3310 -14.3293 -14.3076 -14.3049 -6.7851 -6.7848 -3.6708 -3.6708 -3.6027 -3.5843 -2.4299 -2.4276 -2.3736 -2.3689 -1.7166 -1.6905 -0.1867 -0.1813 -0.1392 -0.1367 0.2819 0.2829 0.9468 0.9525 0.9648 0.9666 1.2838 1.2873 1.4043 1.4116 1.4275 1.4293 1.7046 1.7062 1.7680 1.7680 1.8608 1.8643 2.2983 2.2991 8.1237 8.1282 8.1803 8.1840 10.9674 11.0447 11.0861 11.0953 11.5117 11.5845 k = 0.0465 0.0806 0.4415 ( 4440 PWs) bands (ev): -16.1006 -16.0998 -16.0865 -16.0862 -14.4424 -14.4418 -14.3678 -14.3634 -14.3267 -14.3245 -14.3053 -14.3031 -6.8023 -6.8021 -3.6486 -3.6485 -3.5981 -3.5821 -2.4392 -2.4379 -2.3847 -2.3797 -1.7179 -1.6951 -0.1746 -0.1697 -0.1381 -0.1360 0.2802 0.2811 0.9569 0.9621 0.9694 0.9711 1.2767 1.2800 1.3980 1.4038 1.4184 1.4192 1.7139 1.7151 1.7701 1.7702 1.8501 1.8533 2.3014 2.3021 8.1203 8.1242 8.1623 8.1654 10.9784 11.0502 11.0944 11.1030 11.4811 11.5474 k = 0.0388 0.0671 0.4415 ( 4444 PWs) bands (ev): -16.1029 -16.1022 -16.0930 -16.0928 -14.4415 -14.4409 -14.3607 -14.3564 -14.3221 -14.3200 -14.3030 -14.3013 -6.8170 -6.8168 -3.6293 -3.6292 -3.5940 -3.5806 -2.4473 -2.4467 -2.3942 -2.3894 -1.7189 -1.6996 -0.1639 -0.1595 -0.1371 -0.1355 0.2788 0.2797 0.9657 0.9702 0.9742 0.9758 1.2704 1.2735 1.3921 1.3964 1.4098 1.4101 1.7239 1.7248 1.7720 1.7722 1.8391 1.8419 2.3040 2.3047 8.1175 8.1208 8.1469 8.1495 10.9902 11.0545 11.1029 11.1100 11.4534 11.5125 k = 0.0310 0.0537 0.4415 ( 4436 PWs) bands (ev): -16.1047 -16.1042 -16.0984 -16.0982 -14.4407 -14.4402 -14.3553 -14.3516 -14.3177 -14.3161 -14.3006 -14.2995 -6.8290 -6.8289 -3.6132 -3.6130 -3.5902 -3.5797 -2.4542 -2.4539 -2.4020 -2.3978 -1.7194 -1.7038 -0.1548 -0.1510 -0.1362 -0.1352 0.2777 0.2784 0.9732 0.9767 0.9791 0.9802 1.2653 1.2680 1.3870 1.3897 1.4016 1.4028 1.7345 1.7350 1.7737 1.7739 1.8278 1.8302 2.3063 2.3068 8.1152 8.1180 8.1344 8.1364 11.0023 11.0570 11.1113 11.1164 11.4296 11.4803 k = 0.0233 0.0403 0.4415 ( 4434 PWs) bands (ev): -16.1062 -16.1057 -16.1026 -16.1024 -14.4400 -14.4396 -14.3515 -14.3486 -14.3141 -14.3130 -14.2983 -14.2978 -6.8384 -6.8383 -3.6005 -3.6000 -3.5869 -3.5794 -2.4597 -2.4596 -2.4081 -2.4047 -1.7195 -1.7076 -0.1477 -0.1445 -0.1354 -0.1349 0.2768 0.2774 0.9793 0.9817 0.9835 0.9841 1.2614 1.2636 1.3827 1.3840 1.3949 1.3967 1.7456 1.7457 1.7750 1.7753 1.8162 1.8182 2.3080 2.3085 8.1135 8.1157 8.1248 8.1261 11.0143 11.0573 11.1192 11.1221 11.4109 11.4517 k = 0.0155 0.0269 0.4415 ( 4440 PWs) bands (ev): -16.1072 -16.1069 -16.1055 -16.1054 -14.4396 -14.4393 -14.3488 -14.3468 -14.3115 -14.3110 -14.2963 -14.2961 -6.8452 -6.8451 -3.5916 -3.5905 -3.5840 -3.5797 -2.4637 -2.4636 -2.4123 -2.4099 -1.7189 -1.7110 -0.1427 -0.1403 -0.1343 -0.1343 0.2763 0.2767 0.9839 0.9853 0.9869 0.9870 1.2587 1.2602 1.3793 1.3797 1.3903 1.3920 1.7567 1.7570 1.7761 1.7764 1.8046 1.8062 2.3093 2.3096 8.1122 8.1139 8.1180 8.1187 11.0257 11.0554 11.1257 11.1268 11.3988 11.4277 k = 0.0078 0.0134 0.4415 ( 4444 PWs) bands (ev): -16.1078 -16.1077 -16.1073 -16.1072 -14.4392 -14.4391 -14.3470 -14.3460 -14.3101 -14.3098 -14.2950 -14.2949 -6.8492 -6.8492 -3.5861 -3.5846 -3.5817 -3.5805 -2.4661 -2.4661 -2.4146 -2.4134 -1.7178 -1.7138 -0.1398 -0.1386 -0.1333 -0.1332 0.2760 0.2762 0.9869 0.9875 0.9888 0.9888 1.2572 1.2580 1.3770 1.3770 1.3878 1.3888 1.7676 1.7683 1.7769 1.7772 1.7932 1.7944 2.3102 2.3103 8.1113 8.1125 8.1143 8.1144 11.0359 11.0511 11.1299 11.1301 11.3943 11.4093 k = 0.0000 0.0000 0.4415 ( 4440 PWs) bands (ev): -16.1080 -16.1080 -16.1078 -16.1078 -14.4391 -14.4391 -14.3461 -14.3461 -14.3095 -14.3095 -14.2945 -14.2945 -6.8506 -6.8506 -3.5833 -3.5833 -3.5810 -3.5810 -2.4669 -2.4669 -2.4149 -2.4149 -1.7161 -1.7161 -0.1386 -0.1386 -0.1327 -0.1327 0.2760 0.2760 0.9881 0.9881 0.9894 0.9894 1.2570 1.2570 1.3761 1.3761 1.3874 1.3874 1.7745 1.7745 1.7793 1.7793 1.7851 1.7851 2.3105 2.3105 8.1112 8.1112 8.1133 8.1133 11.0445 11.0445 11.1313 11.1313 11.3979 11.3979 k = 0.5000 0.2887 0.4415 ( 4460 PWs) bands (ev): -15.9743 -15.9743 -15.5157 -15.5157 -15.1174 -15.1174 -14.5113 -14.5113 -14.4394 -14.4394 -14.3383 -14.3383 -5.7677 -5.7677 -4.7504 -4.7504 -3.6827 -3.6827 -2.2399 -2.2399 -1.8295 -1.8295 -1.7869 -1.7869 -0.3661 -0.3661 -0.2316 -0.2316 0.4883 0.4883 0.8369 0.8369 0.8588 0.8588 1.2523 1.2523 1.3310 1.3310 1.5440 1.5440 1.7126 1.7126 1.7815 1.7815 1.9941 1.9941 2.3560 2.3560 8.3471 8.3471 9.2092 9.2092 10.4875 10.4875 11.0936 11.0936 11.4718 11.4718 k = 0.5000 0.2887 0.4257 ( 4456 PWs) bands (ev): -15.9747 -15.9744 -15.5159 -15.5159 -15.1174 -15.1165 -14.5112 -14.5110 -14.4402 -14.4385 -14.3387 -14.3377 -5.7689 -5.7677 -4.7511 -4.7507 -3.6831 -3.6803 -2.2430 -2.2382 -1.8305 -1.8255 -1.7881 -1.7876 -0.3665 -0.3648 -0.2317 -0.2313 0.4869 0.4885 0.8328 0.8344 0.8578 0.8592 1.2525 1.2536 1.3322 1.3336 1.5428 1.5437 1.7142 1.7148 1.7814 1.7820 1.9945 1.9950 2.3555 2.3558 8.3456 8.3470 9.2076 9.2098 10.4823 10.4865 11.0930 11.0932 11.4673 11.4803 k = 0.5000 0.2887 0.4100 ( 4464 PWs) bands (ev): -15.9756 -15.9751 -15.5165 -15.5164 -15.1165 -15.1148 -14.5108 -14.5104 -14.4411 -14.4377 -14.3391 -14.3371 -5.7713 -5.7690 -4.7530 -4.7521 -3.6815 -3.6759 -2.2474 -2.2380 -1.8288 -1.8189 -1.7909 -1.7896 -0.3658 -0.3626 -0.2316 -0.2307 0.4844 0.4875 0.8229 0.8258 0.8558 0.8587 1.2538 1.2558 1.3374 1.3401 1.5402 1.5420 1.7197 1.7208 1.7817 1.7829 1.9963 1.9972 2.3545 2.3550 8.3425 8.3454 9.2051 9.2095 10.4711 10.4793 11.0913 11.0916 11.4666 11.4927 k = 0.5000 0.2887 0.3942 ( 4458 PWs) bands (ev): -15.9771 -15.9764 -15.5175 -15.5174 -15.1148 -15.1122 -14.5100 -14.5094 -14.4420 -14.4370 -14.3393 -14.3364 -5.7750 -5.7715 -4.7558 -4.7546 -3.6779 -3.6695 -2.2529 -2.2393 -1.8263 -1.8126 -1.7940 -1.7902 -0.3642 -0.3595 -0.2312 -0.2299 0.4810 0.4856 0.8084 0.8124 0.8522 0.8569 1.2555 1.2582 1.3468 1.3505 1.5363 1.5390 1.7288 1.7303 1.7825 1.7843 1.9993 2.0007 2.3528 2.3537 8.3380 8.3422 9.2019 9.2083 10.4543 10.4662 11.0884 11.0889 11.4691 11.5091 k = 0.5000 0.2887 0.3784 ( 4458 PWs) bands (ev): -15.9791 -15.9782 -15.5188 -15.5188 -15.1123 -15.1089 -14.5089 -14.5081 -14.4428 -14.4363 -14.3395 -14.3357 -5.7797 -5.7752 -4.7596 -4.7580 -3.6724 -3.6613 -2.2590 -2.2418 -1.8274 -1.8138 -1.7921 -1.7832 -0.3617 -0.3555 -0.2305 -0.2287 0.4766 0.4827 0.7901 0.7951 0.8470 0.8536 1.2566 1.2599 1.3603 1.3647 1.5311 1.5349 1.7413 1.7431 1.7841 1.7863 2.0035 2.0052 2.3506 2.3518 8.3320 8.3376 9.1979 9.2063 10.4325 10.4475 11.0843 11.0849 11.4747 11.5290 k = 0.5000 0.2887 0.3627 ( 4464 PWs) bands (ev): -15.9816 -15.9805 -15.5205 -15.5205 -15.1090 -15.1048 -14.5074 -14.5065 -14.4435 -14.4356 -14.3396 -14.3350 -5.7855 -5.7800 -4.7644 -4.7624 -3.6649 -3.6513 -2.2657 -2.2453 -1.8351 -1.8227 -1.7826 -1.7688 -0.3584 -0.3509 -0.2296 -0.2271 0.4715 0.4790 0.7689 0.7749 0.8406 0.8490 1.2567 1.2604 1.3772 1.3819 1.5250 1.5298 1.7567 1.7587 1.7867 1.7892 2.0085 2.0106 2.3480 2.3495 8.3246 8.3315 9.1933 9.2035 10.4061 10.4240 11.0789 11.0796 11.4830 11.5521 k = 0.5000 0.2887 0.3469 ( 4472 PWs) bands (ev): -15.9845 -15.9832 -15.5225 -15.5225 -15.1050 -15.1001 -14.5057 -14.5047 -14.4441 -14.4349 -14.3397 -14.3343 -5.7923 -5.7859 -4.7701 -4.7678 -3.6555 -3.6396 -2.2725 -2.2496 -1.8477 -1.8356 -1.7677 -1.7506 -0.3545 -0.3457 -0.2282 -0.2249 0.4658 0.4747 0.7455 0.7524 0.8332 0.8433 1.2556 1.2596 1.3967 1.4014 1.5180 1.5240 1.7739 1.7764 1.7914 1.7931 2.0142 2.0166 2.3449 2.3469 8.3160 8.3241 9.1882 9.2002 10.3760 10.3962 11.0720 11.0729 11.4936 11.5772 k = 0.5000 0.2887 0.3311 ( 4460 PWs) bands (ev): -15.9879 -15.9864 -15.5248 -15.5247 -15.1004 -15.0948 -14.5038 -14.5027 -14.4446 -14.4341 -14.3397 -14.3336 -5.8000 -5.7928 -4.7765 -4.7739 -3.6444 -3.6262 -2.2792 -2.2543 -1.8636 -1.8512 -1.7495 -1.7301 -0.3500 -0.3400 -0.2265 -0.2221 0.4598 0.4700 0.7206 0.7283 0.8251 0.8367 1.2532 1.2576 1.4177 1.4223 1.5103 1.5174 1.7879 1.7963 1.7979 1.8032 2.0202 2.0229 2.3417 2.3441 8.3063 8.3156 9.1830 9.1965 10.3428 10.3649 11.0637 11.0646 11.5063 11.6004 k = 0.5000 0.2887 0.3154 ( 4460 PWs) bands (ev): -15.9915 -15.9899 -15.5274 -15.5273 -15.0952 -15.0890 -14.5016 -14.5005 -14.4448 -14.4333 -14.3397 -14.3330 -5.8084 -5.8005 -4.7837 -4.7808 -3.6316 -3.6114 -2.2856 -2.2593 -1.8823 -1.8692 -1.7288 -1.7078 -0.3451 -0.3342 -0.2241 -0.2184 0.4537 0.4651 0.6948 0.7031 0.8164 0.8294 1.2495 1.2542 1.4394 1.4437 1.5020 1.5104 1.7966 1.8046 1.8183 1.8230 2.0261 2.0292 2.3384 2.3412 8.2957 8.3060 9.1777 9.1926 10.3072 10.3306 11.0538 11.0549 11.5210 11.6179 k = 0.5000 0.2887 0.2996 ( 4460 PWs) bands (ev): -15.9954 -15.9937 -15.5301 -15.5300 -15.0896 -15.0829 -14.4993 -14.4982 -14.4447 -14.4324 -14.3397 -14.3325 -5.8174 -5.8090 -4.7914 -4.7884 -3.6172 -3.5952 -2.2916 -2.2644 -1.9031 -1.8892 -1.7064 -1.6843 -0.3402 -0.3283 -0.2211 -0.2138 0.4477 0.4602 0.6684 0.6773 0.8073 0.8214 1.2444 1.2495 1.4608 1.4649 1.4935 1.5028 1.8054 1.8131 1.8416 1.8457 2.0318 2.0353 2.3351 2.3384 8.2842 8.2954 9.1724 9.1885 10.2696 10.2941 11.0424 11.0437 11.5374 11.6342 k = 0.5000 0.2887 0.2838 ( 4480 PWs) bands (ev): -15.9996 -15.9978 -15.5330 -15.5329 -15.0836 -15.0764 -14.4969 -14.4959 -14.4443 -14.4313 -14.3398 -14.3321 -5.8270 -5.8181 -4.7997 -4.7965 -3.6014 -3.5778 -2.2971 -2.2693 -1.9260 -1.9112 -1.6826 -1.6598 -0.3355 -0.3227 -0.2172 -0.2080 0.4419 0.4555 0.6420 0.6515 0.7981 0.8131 1.2379 1.2435 1.4774 1.4844 1.4889 1.4959 1.8160 1.8236 1.8658 1.8696 2.0368 2.0408 2.3320 2.3359 8.2721 8.2841 9.1674 9.1845 10.2308 10.2559 11.0297 11.0311 11.5552 11.6513 k = 0.5000 0.2887 0.2681 ( 4480 PWs) bands (ev): -16.0039 -16.0021 -15.5360 -15.5359 -15.0772 -15.0697 -14.4944 -14.4935 -14.4436 -14.4300 -14.3400 -14.3319 -5.8369 -5.8277 -4.8083 -4.8050 -3.5843 -3.5593 -2.3020 -2.2740 -1.9505 -1.9347 -1.6578 -1.6348 -0.3312 -0.3177 -0.2122 -0.2011 0.4364 0.4509 0.6162 0.6260 0.7887 0.8044 1.2300 1.2361 1.4719 1.4844 1.5048 1.5077 1.8288 1.8363 1.8904 1.8938 2.0409 2.0456 2.3294 2.3339 8.2596 8.2722 9.1628 9.1806 10.1912 10.2166 11.0156 11.0173 11.5744 11.6693 k = 0.5000 0.2887 0.2523 ( 4474 PWs) bands (ev): -16.0084 -16.0065 -15.5391 -15.5390 -15.0707 -15.0629 -14.4918 -14.4912 -14.4425 -14.4286 -14.3403 -14.3318 -5.8470 -5.8376 -4.8173 -4.8139 -3.5660 -3.5399 -2.3062 -2.2783 -1.9763 -1.9598 -1.6324 -1.6094 -0.3276 -0.3135 -0.2059 -0.1929 0.4309 0.4463 0.5915 0.6015 0.7793 0.7955 1.2207 1.2273 1.4620 1.4753 1.5243 1.5265 1.8438 1.8512 1.9147 1.9179 2.0439 2.0495 2.3274 2.3324 8.2469 8.2599 9.1586 9.1770 10.1513 10.1768 11.0005 11.0023 11.5948 11.6882 k = 0.5000 0.2887 0.2365 ( 4476 PWs) bands (ev): -16.0128 -16.0109 -15.5423 -15.5421 -15.0641 -15.0561 -14.4893 -14.4890 -14.4410 -14.4270 -14.3407 -14.3319 -5.8572 -5.8478 -4.8264 -4.8229 -3.5467 -3.5198 -2.3098 -2.2823 -2.0033 -1.9860 -1.6067 -1.5840 -0.3246 -0.3102 -0.1984 -0.1836 0.4251 0.4412 0.5689 0.5789 0.7701 0.7865 1.2100 1.2170 1.4515 1.4654 1.5432 1.5450 1.8609 1.8682 1.9380 1.9410 2.0461 2.0527 2.3261 2.3316 8.2340 8.2474 9.1551 9.1737 10.1116 10.1368 10.9844 10.9865 11.6160 11.7077 k = 0.5000 0.2887 0.2208 ( 4476 PWs) bands (ev): -16.0173 -16.0154 -15.5454 -15.5452 -15.0574 -15.0493 -14.4869 -14.4867 -14.4391 -14.4252 -14.3412 -14.3322 -5.8675 -5.8581 -4.8355 -4.8321 -3.5266 -3.4992 -2.3127 -2.2858 -2.0311 -2.0130 -1.5811 -1.5588 -0.3224 -0.3079 -0.1895 -0.1732 0.4182 0.4348 0.5497 0.5592 0.7609 0.7776 1.1980 1.2052 1.4407 1.4550 1.5614 1.5628 1.8798 1.8868 1.9594 1.9623 2.0477 2.0555 2.3257 2.3316 8.2213 8.2348 9.1522 9.1709 10.0725 10.0971 10.9677 10.9700 11.6378 11.7275 k = 0.5000 0.2887 0.2050 ( 4484 PWs) bands (ev): -16.0217 -16.0198 -15.5485 -15.5483 -15.0508 -15.0428 -14.4848 -14.4843 -14.4370 -14.4232 -14.3418 -14.3327 -5.8776 -5.8683 -4.8445 -4.8412 -3.5059 -3.4782 -2.3150 -2.2891 -2.0593 -2.0407 -1.5557 -1.5341 -0.3210 -0.3067 -0.1793 -0.1619 0.4091 0.4256 0.5353 0.5437 0.7520 0.7686 1.1846 1.1920 1.4298 1.4442 1.5791 1.5802 1.9000 1.9068 1.9774 1.9804 2.0499 2.0590 2.3260 2.3323 8.2088 8.2224 9.1499 9.1685 10.0342 10.0582 10.9505 10.9530 11.6601 11.7474 k = 0.5000 0.2887 0.1892 ( 4480 PWs) bands (ev): -16.0260 -16.0242 -15.5515 -15.5513 -15.0443 -15.0364 -14.4827 -14.4818 -14.4346 -14.4212 -14.3425 -14.3334 -5.8874 -5.8784 -4.8534 -4.8502 -3.4848 -3.4572 -2.3167 -2.2919 -2.0877 -2.0686 -1.5309 -1.5102 -0.3203 -0.3064 -0.1681 -0.1499 0.3968 0.4128 0.5271 0.5337 0.7434 0.7598 1.1700 1.1774 1.4190 1.4332 1.5962 1.5973 1.9210 1.9276 1.9900 1.9931 2.0549 2.0648 2.3272 2.3337 8.1969 8.2102 9.1484 9.1666 9.9974 10.0204 10.9331 10.9359 11.6826 11.7671 k = 0.5000 0.2887 0.1735 ( 4480 PWs) bands (ev): -16.0301 -16.0284 -15.5544 -15.5542 -15.0380 -15.0303 -14.4808 -14.4795 -14.4320 -14.4190 -14.3434 -14.3343 -5.8968 -5.8882 -4.8620 -4.8589 -3.4635 -3.4362 -2.3180 -2.2945 -2.1158 -2.0965 -1.5069 -1.4873 -0.3201 -0.3070 -0.1560 -0.1373 0.3812 0.3964 0.5249 0.5297 0.7351 0.7513 1.1543 1.1615 1.4084 1.4223 1.6131 1.6143 1.9422 1.9486 1.9961 1.9986 2.0644 2.0740 2.3290 2.3356 8.1855 8.1985 9.1474 9.1650 9.9622 9.9840 10.9159 10.9188 11.7051 11.7862 k = 0.5000 0.2887 0.1577 ( 4476 PWs) bands (ev): -16.0340 -16.0323 -15.5572 -15.5570 -15.0320 -15.0247 -14.4789 -14.4773 -14.4293 -14.4168 -14.3443 -14.3354 -5.9057 -5.8976 -4.8702 -4.8673 -3.4422 -3.4156 -2.3188 -2.2970 -2.1433 -2.1238 -1.4840 -1.4655 -0.3204 -0.3082 -0.1433 -0.1244 0.3628 0.3773 0.5278 0.5311 0.7272 0.7430 1.1375 1.1445 1.3984 1.4117 1.6299 1.6311 1.9622 1.9684 1.9974 1.9989 2.0774 2.0860 2.3314 2.3379 8.1748 8.1874 9.1471 9.1639 9.9290 9.9495 10.8990 10.9020 11.7274 11.8046 k = 0.5000 0.2887 0.1419 ( 4468 PWs) bands (ev): -16.0376 -16.0361 -15.5597 -15.5596 -15.0264 -15.0194 -14.4770 -14.4752 -14.4264 -14.4146 -14.3453 -14.3366 -5.9141 -5.9065 -4.8779 -4.8752 -3.4212 -3.3957 -2.3194 -2.2993 -2.1696 -2.1503 -1.4623 -1.4452 -0.3211 -0.3099 -0.1301 -0.1114 0.3429 0.3567 0.5346 0.5370 0.7198 0.7350 1.1200 1.1265 1.3890 1.4014 1.6465 1.6478 1.9755 1.9799 2.0006 2.0029 2.0915 2.0991 2.3341 2.3405 8.1651 8.1769 9.1473 9.1631 9.8981 9.9171 10.8828 10.8858 11.7491 11.8218 k = 0.5000 0.2887 0.1261 ( 4462 PWs) bands (ev): -16.0409 -16.0396 -15.5621 -15.5620 -15.0211 -15.0147 -14.4752 -14.4732 -14.4236 -14.4125 -14.3464 -14.3380 -5.9217 -5.9148 -4.8850 -4.8825 -3.4008 -3.3768 -2.3199 -2.3018 -2.1943 -2.1754 -1.4421 -1.4265 -0.3221 -0.3120 -0.1166 -0.0983 0.3223 0.3357 0.5442 0.5463 0.7128 0.7274 1.1019 1.1078 1.3804 1.3918 1.6630 1.6644 1.9738 1.9765 2.0148 2.0190 2.1050 2.1117 2.3370 2.3431 8.1562 8.1672 9.1480 9.1626 9.8698 9.8871 10.8675 10.8704 11.7702 11.8377 k = 0.5000 0.2887 0.1104 ( 4464 PWs) bands (ev): -16.0440 -16.0427 -15.5643 -15.5642 -15.0163 -15.0104 -14.4734 -14.4714 -14.4208 -14.4106 -14.3474 -14.3395 -5.9287 -5.9225 -4.8915 -4.8893 -3.3814 -3.3591 -2.3205 -2.3046 -2.2167 -2.1987 -1.4237 -1.4097 -0.3232 -0.3143 -0.1031 -0.0856 0.3020 0.3148 0.5559 0.5579 0.7063 0.7203 1.0836 1.0888 1.3727 1.3829 1.6794 1.6808 1.9651 1.9676 2.0335 2.0381 2.1170 2.1230 2.3400 2.3456 8.1484 8.1584 9.1491 9.1622 9.8443 9.8598 10.8533 10.8561 11.7902 11.8518 k = 0.5000 0.2887 0.0946 ( 4468 PWs) bands (ev): -16.0466 -16.0456 -15.5662 -15.5661 -15.0120 -15.0068 -14.4718 -14.4698 -14.4181 -14.4089 -14.3483 -14.3410 -5.9347 -5.9293 -4.8973 -4.8953 -3.3632 -3.3431 -2.3214 -2.3080 -2.2362 -2.2195 -1.4071 -1.3948 -0.3243 -0.3167 -0.0899 -0.0734 0.2825 0.2947 0.5689 0.5711 0.7004 0.7136 1.0655 1.0700 1.3660 1.3749 1.6954 1.6969 1.9542 1.9567 2.0521 2.0568 2.1269 2.1325 2.3429 2.3480 8.1417 8.1505 9.1503 9.1620 9.8219 9.8354 10.8405 10.8431 11.8090 11.8639 k = 0.5000 0.2887 0.0788 ( 4464 PWs) bands (ev): -16.0489 -16.0480 -15.5678 -15.5677 -15.0081 -15.0037 -14.4703 -14.4685 -14.4156 -14.4075 -14.3491 -14.3426 -5.9399 -5.9353 -4.9022 -4.9005 -3.3466 -3.3291 -2.3229 -2.3122 -2.2521 -2.2373 -1.3925 -1.3821 -0.3254 -0.3190 -0.0770 -0.0620 0.2646 0.2759 0.5825 0.5851 0.6951 0.7073 1.0482 1.0520 1.3604 1.3679 1.7108 1.7124 1.9425 1.9449 2.0696 2.0743 2.1347 2.1397 2.3457 2.3500 8.1361 8.1437 9.1518 9.1617 9.8027 9.8142 10.8294 10.8317 11.8264 11.8737 k = 0.5000 0.2887 0.0631 ( 4468 PWs) bands (ev): -16.0508 -16.0501 -15.5692 -15.5691 -15.0049 -15.0013 -14.4689 -14.4673 -14.4132 -14.4065 -14.3497 -14.3441 -5.9441 -5.9404 -4.9063 -4.9049 -3.3320 -3.3175 -2.3251 -2.3174 -2.2639 -2.2517 -1.3802 -1.3718 -0.3262 -0.3212 -0.0650 -0.0520 0.2489 0.2589 0.5959 0.5989 0.6904 0.7015 1.0325 1.0354 1.3559 1.3619 1.7253 1.7268 1.9308 1.9331 2.0857 2.0902 2.1399 2.1446 2.3481 2.3517 8.1316 8.1379 9.1534 9.1614 9.7871 9.7964 10.8200 10.8220 11.8420 11.8810 k = 0.5000 0.2887 0.0473 ( 4472 PWs) bands (ev): -16.0523 -16.0517 -15.5703 -15.5702 -15.0022 -14.9995 -14.4677 -14.4665 -14.4111 -14.4058 -14.3500 -14.3456 -5.9473 -5.9445 -4.9095 -4.9084 -3.3197 -3.3085 -2.3280 -2.3231 -2.2715 -2.2624 -1.3702 -1.3638 -0.3269 -0.3231 -0.0543 -0.0437 0.2360 0.2442 0.6083 0.6116 0.6864 0.6960 1.0189 1.0211 1.3525 1.3571 1.7383 1.7396 1.9201 1.9221 2.0999 2.1042 2.1428 2.1470 2.3502 2.3530 8.1283 8.1331 9.1549 9.1610 9.7750 9.7820 10.8126 10.8141 11.8557 11.8857 k = 0.5000 0.2887 0.0315 ( 4468 PWs) bands (ev): -16.0533 -16.0529 -15.5711 -15.5710 -15.0002 -14.9983 -14.4668 -14.4659 -14.4092 -14.4056 -14.3500 -14.3470 -5.9495 -5.9476 -4.9117 -4.9110 -3.3101 -3.3024 -2.3310 -2.3282 -2.2757 -2.2698 -1.3627 -1.3584 -0.3272 -0.3247 -0.0454 -0.0379 0.2267 0.2326 0.6189 0.6219 0.6835 0.6910 1.0085 1.0100 1.3503 1.3534 1.7489 1.7500 1.9111 1.9126 2.1119 2.1157 2.1433 2.1471 2.3519 2.3538 8.1262 8.1295 9.1563 9.1605 9.7667 9.7714 10.8073 10.8083 11.8672 11.8875 k = 0.5000 0.2887 0.0158 ( 4464 PWs) bands (ev): -16.0539 -16.0537 -15.5715 -15.5715 -14.9987 -14.9978 -14.4661 -14.4657 -14.4077 -14.4059 -14.3497 -14.3482 -5.9506 -5.9496 -4.9130 -4.9126 -3.3034 -3.2995 -2.3331 -2.3319 -2.2773 -2.2744 -1.3577 -1.3556 -0.3272 -0.3259 -0.0389 -0.0350 0.2215 0.2246 0.6266 0.6285 0.6823 0.6865 1.0020 1.0027 1.3493 1.3508 1.7562 1.7567 1.9052 1.9061 2.1211 2.1239 2.1425 2.1453 2.3531 2.3541 8.1253 8.1269 9.1577 9.1598 9.7621 9.7645 10.8042 10.8047 11.8763 11.8865 k = 0.5000 0.2887-0.0000 ( 4468 PWs) bands (ev): -16.0540 -16.0540 -15.5717 -15.5717 -14.9980 -14.9980 -14.4657 -14.4657 -14.4066 -14.4066 -14.3491 -14.3491 -5.9506 -5.9506 -4.9133 -4.9133 -3.2998 -3.2998 -2.3336 -2.3336 -2.2768 -2.2768 -1.3553 -1.3553 -0.3267 -0.3267 -0.0353 -0.0353 0.2207 0.2207 0.6301 0.6301 0.6834 0.6834 1.0000 1.0000 1.3495 1.3495 1.7589 1.7589 1.9034 1.9034 2.1260 2.1260 2.1428 2.1428 2.3539 2.3539 8.1256 8.1256 9.1588 9.1588 9.7614 9.7614 10.8033 10.8033 11.8828 11.8828 k = 0.3333 0.5774-0.0000 ( 4452 PWs) bands (ev): -15.8034 -15.7976 -15.7970 -15.7970 -15.0454 -15.0454 -14.4557 -14.4557 -14.3923 -14.3923 -14.3819 -14.3787 -5.9936 -5.9936 -4.2448 -4.2218 -4.2161 -4.2161 -2.1733 -2.1443 -2.1443 -2.1203 -1.2485 -1.2485 -0.0262 -0.0262 -0.0253 -0.0160 -0.0093 -0.0093 0.5182 0.5275 0.5315 0.5315 1.0861 1.0861 1.1415 1.1415 1.8547 1.8586 1.8586 1.8622 2.1668 2.1708 2.1708 2.1836 2.3964 2.3964 8.6721 8.6906 8.6906 8.7010 9.7733 9.7733 11.3995 11.3995 11.3997 11.4280 k = 0.3333 0.5774 0.0158 ( 4449 PWs) bands (ev): -15.8116 -15.8077 -15.7888 -15.7857 -15.0460 -15.0453 -14.4561 -14.4556 -14.3945 -14.3903 -14.3831 -14.3778 -5.9926 -5.9920 -4.2588 -4.2397 -4.2085 -4.1933 -2.1760 -2.1555 -2.1323 -2.1169 -1.2515 -1.2493 -0.0419 -0.0380 -0.0166 -0.0092 -0.0053 -0.0029 0.5198 0.5296 0.5313 0.5354 1.0728 1.0783 1.1505 1.1552 1.8390 1.8394 1.8773 1.8775 2.1571 2.1591 2.1823 2.1891 2.3953 2.3955 8.6458 8.6524 8.7294 8.7308 9.7716 9.7750 11.3768 11.3862 11.4223 11.4416 k = 0.3333 0.5774 0.0315 ( 4449 PWs) bands (ev): -15.8217 -15.8178 -15.7771 -15.7739 -15.0473 -15.0458 -14.4569 -14.4558 -14.3971 -14.3887 -14.3855 -14.3764 -5.9892 -5.9879 -4.2808 -4.2641 -4.1885 -4.1713 -2.1826 -2.1658 -2.1195 -2.1081 -1.2582 -1.2538 -0.0605 -0.0561 -0.0110 -0.0053 0.0067 0.0080 0.5249 0.5350 0.5357 0.5427 1.0510 1.0583 1.1730 1.1787 1.8198 1.8200 1.8956 1.8957 2.1412 2.1446 2.1915 2.1970 2.3922 2.3926 8.6110 8.6163 8.7703 8.7729 9.7700 9.7767 11.3545 11.3646 11.4450 11.4636 k = 0.3333 0.5774 0.0473 ( 4440 PWs) bands (ev): -15.8313 -15.8275 -15.7646 -15.7615 -15.0491 -15.0469 -14.4578 -14.4562 -14.3998 -14.3883 -14.3874 -14.3753 -5.9832 -5.9813 -4.3045 -4.2893 -4.1683 -4.1500 -2.1907 -2.1750 -2.1060 -2.0963 -1.2686 -1.2621 -0.0808 -0.0758 -0.0046 0.0013 0.0168 0.0182 0.5334 0.5426 0.5453 0.5531 1.0278 1.0359 1.1995 1.2052 1.8002 1.8003 1.9133 1.9135 2.1234 2.1274 2.1983 2.2032 2.3871 2.3877 8.5777 8.5824 8.8138 8.8166 9.7685 9.7784 11.3328 11.3425 11.4672 11.4864 k = 0.3333 0.5774 0.0631 ( 4452 PWs) bands (ev): -15.8404 -15.8366 -15.7516 -15.7486 -15.0515 -15.0486 -14.4591 -14.4569 -14.4029 -14.3914 -14.3865 -14.3745 -5.9747 -5.9722 -4.3292 -4.3154 -4.1484 -4.1295 -2.1990 -2.1832 -2.0920 -2.0829 -1.2825 -1.2738 -0.1022 -0.0966 0.0036 0.0102 0.0247 0.0267 0.5454 0.5540 0.5581 0.5662 1.0048 1.0134 1.2274 1.2328 1.7804 1.7804 1.9304 1.9308 2.1037 2.1080 2.2027 2.2073 2.3802 2.3809 8.5465 8.5509 8.8590 8.8618 9.7671 9.7801 11.3119 11.3209 11.4888 11.5089 k = 0.3333 0.5774 0.0788 ( 4452 PWs) bands (ev): -15.8490 -15.8452 -15.7381 -15.7352 -15.0545 -15.0509 -14.4605 -14.4579 -14.4062 -14.3948 -14.3859 -14.3741 -5.9638 -5.9606 -4.3548 -4.3424 -4.1291 -4.1097 -2.2068 -2.1902 -2.0775 -2.0686 -1.2995 -1.2889 -0.1243 -0.1181 0.0134 0.0213 0.0307 0.0336 0.5606 0.5690 0.5737 0.5817 0.9826 0.9916 1.2560 1.2611 1.7604 1.7605 1.9468 1.9474 2.0822 2.0869 2.2048 2.2091 2.3714 2.3723 8.5177 8.5218 8.9057 8.9083 9.7658 9.7819 11.2921 11.3001 11.5094 11.5307 k = 0.3333 0.5774 0.0946 ( 4464 PWs) bands (ev): -15.8570 -15.8532 -15.7239 -15.7212 -15.0581 -15.0539 -14.4621 -14.4590 -14.4096 -14.3985 -14.3856 -14.3740 -5.9505 -5.9466 -4.3813 -4.3703 -4.1103 -4.0907 -2.2139 -2.1960 -2.0627 -2.0537 -1.3195 -1.3070 -0.1466 -0.1399 0.0242 0.0340 0.0351 0.0396 0.5785 0.5872 0.5917 0.5993 0.9615 0.9709 1.2849 1.2896 1.7404 1.7405 1.9624 1.9632 2.0593 2.0643 2.2044 2.2085 2.3608 2.3619 8.4914 8.4951 8.9535 8.9558 9.7647 9.7837 11.2735 11.2805 11.5284 11.5516 k = 0.3333 0.5774 0.1104 ( 4461 PWs) bands (ev): -15.8645 -15.8608 -15.7093 -15.7067 -15.0624 -15.0576 -14.4638 -14.4604 -14.4132 -14.4023 -14.3858 -14.3744 -5.9348 -5.9303 -4.4088 -4.3992 -4.0921 -4.0723 -2.2199 -2.2006 -2.0476 -2.0385 -1.3422 -1.3279 -0.1689 -0.1616 0.0337 0.0382 0.0469 0.0481 0.5987 0.6081 0.6121 0.6186 0.9418 0.9514 1.3139 1.3182 1.7204 1.7205 1.9768 1.9778 2.0354 2.0407 2.2017 2.2056 2.3485 2.3499 8.4674 8.4709 9.0023 9.0041 9.7639 9.7856 11.2563 11.2623 11.5453 11.5713 k = 0.3333 0.5774 0.1261 ( 4470 PWs) bands (ev): -15.8715 -15.8678 -15.6940 -15.6917 -15.0673 -15.0620 -14.4656 -14.4618 -14.4169 -14.4063 -14.3862 -14.3751 -5.9167 -5.9117 -4.4372 -4.4290 -4.0744 -4.0547 -2.2248 -2.2039 -2.0325 -2.0232 -1.3673 -1.3512 -0.1909 -0.1831 0.0392 0.0404 0.0584 0.0633 0.6204 0.6314 0.6346 0.6394 0.9236 0.9334 1.3428 1.3466 1.7006 1.7007 1.9876 1.9885 2.0132 2.0184 2.1966 2.2004 2.3347 2.3363 8.4460 8.4492 9.0518 9.0530 9.7632 9.7875 11.2407 11.2455 11.5583 11.5896 k = 0.3333 0.5774 0.1419 ( 4455 PWs) bands (ev): -15.8780 -15.8744 -15.6783 -15.6761 -15.0730 -15.0671 -14.4674 -14.4633 -14.4207 -14.4104 -14.3871 -14.3762 -5.8964 -5.8908 -4.4665 -4.4598 -4.0574 -4.0377 -2.2285 -2.2059 -2.0173 -2.0080 -1.3944 -1.3767 -0.2122 -0.2039 0.0420 0.0420 0.0727 0.0790 0.6433 0.6565 0.6591 0.6613 0.9071 0.9171 1.3713 1.3747 1.6809 1.6810 1.9766 1.9797 2.0118 2.0130 2.1893 2.1930 2.3196 2.3214 8.4269 8.4299 9.1017 9.1021 9.7629 9.7896 11.2268 11.2305 11.5656 11.5997 k = 0.3333 0.5774 0.1577 ( 4449 PWs) bands (ev): -15.8841 -15.8805 -15.6621 -15.6601 -15.0793 -15.0731 -14.4691 -14.4648 -14.4246 -14.4146 -14.3883 -14.3777 -5.8739 -5.8677 -4.4969 -4.4915 -4.0409 -4.0215 -2.2308 -2.2065 -2.0024 -1.9930 -1.4233 -1.4041 -0.2327 -0.2240 0.0435 0.0439 0.0879 0.0951 0.6669 0.6831 0.6841 0.6852 0.8924 0.9026 1.3992 1.4022 1.6614 1.6617 1.9502 1.9547 2.0228 2.0229 2.1798 2.1834 2.3032 2.3052 8.4102 8.4130 9.1513 9.1517 9.7629 9.7917 11.2148 11.2173 11.5677 11.6028 k = 0.3333 0.5774 0.1735 ( 4449 PWs) bands (ev): -15.8897 -15.8862 -15.6454 -15.6437 -15.0865 -15.0798 -14.4707 -14.4663 -14.4285 -14.4189 -14.3898 -14.3796 -5.8494 -5.8426 -4.5282 -4.5243 -4.0249 -4.0060 -2.2317 -2.2057 -1.9877 -1.9783 -1.4537 -1.4330 -0.2522 -0.2431 0.0450 0.0456 0.1033 0.1110 0.6910 0.7076 0.7107 0.7125 0.8798 0.8900 1.4264 1.4290 1.6424 1.6427 1.9218 1.9266 2.0339 2.0345 2.1683 2.1719 2.2858 2.2880 8.3958 8.3983 9.2002 9.2017 9.7632 9.7940 11.2048 11.2060 11.5668 11.6014 k = 0.3333 0.5774 0.1892 ( 4449 PWs) bands (ev): -15.8948 -15.8915 -15.6282 -15.6268 -15.0944 -15.0874 -14.4722 -14.4677 -14.4324 -14.4232 -14.3916 -14.3818 -5.8227 -5.8155 -4.5606 -4.5580 -4.0097 -3.9912 -2.2312 -2.2034 -1.9735 -1.9641 -1.4853 -1.4633 -0.2705 -0.2610 0.0467 0.0473 0.1185 0.1264 0.7155 0.7316 0.7390 0.7407 0.8694 0.8797 1.4526 1.4548 1.6238 1.6242 1.8924 1.8974 2.0446 2.0454 2.1550 2.1585 2.2676 2.2700 8.3835 8.3858 9.2485 9.2512 9.7639 9.7963 11.1967 11.1969 11.5640 11.5991 k = 0.3333 0.5774 0.2050 ( 4449 PWs) bands (ev): -15.8995 -15.8963 -15.6106 -15.6094 -15.1031 -15.0958 -14.4734 -14.4689 -14.4362 -14.4275 -14.3938 -14.3844 -5.7942 -5.7864 -4.5940 -4.5928 -3.9950 -3.9772 -2.2291 -2.1997 -1.9599 -1.9504 -1.5179 -1.4947 -0.2874 -0.2777 0.0489 0.0495 0.1329 0.1409 0.7402 0.7557 0.7676 0.7693 0.8614 0.8717 1.4775 1.4794 1.6058 1.6064 1.8625 1.8677 2.0545 2.0555 2.1399 2.1435 2.2488 2.2514 8.3733 8.3753 9.2960 9.3000 9.7649 9.7988 11.1896 11.1912 11.5598 11.5956 k = 0.3333 0.5774 0.2208 ( 4452 PWs) bands (ev): -15.9038 -15.9007 -15.5926 -15.5917 -15.1126 -15.1052 -14.4743 -14.4699 -14.4400 -14.4318 -14.3963 -14.3873 -5.7638 -5.7555 -4.6285 -4.6284 -3.9811 -3.9639 -2.2256 -2.1945 -1.9469 -1.9375 -1.5512 -1.5268 -0.3029 -0.2930 0.0517 0.0521 0.1463 0.1542 0.7649 0.7800 0.7960 0.7979 0.8560 0.8664 1.5010 1.5025 1.5885 1.5892 1.8324 1.8377 2.0634 2.0646 2.1234 2.1270 2.2298 2.2325 8.3649 8.3668 9.3422 9.3478 9.7661 9.8013 11.1848 11.1877 11.5542 11.5908 k = 0.3333 0.5774 0.2365 ( 4443 PWs) bands (ev): -15.9076 -15.9047 -15.5742 -15.5736 -15.1229 -15.1154 -14.4750 -14.4707 -14.4436 -14.4359 -14.3990 -14.3905 -5.7317 -5.7230 -4.6652 -4.6638 -3.9678 -3.9515 -2.2204 -2.1879 -1.9346 -1.9253 -1.5849 -1.5596 -0.3169 -0.3070 0.0551 0.0554 0.1583 0.1660 0.7895 0.8040 0.8237 0.8263 0.8532 0.8641 1.5228 1.5239 1.5720 1.5729 1.8025 1.8078 2.0712 2.0727 2.1057 2.1095 2.2108 2.2137 8.3583 8.3599 9.3871 9.3944 9.7677 9.8038 11.1822 11.1866 11.5474 11.5847 k = 0.3333 0.5774 0.2523 ( 4455 PWs) bands (ev): -15.9112 -15.9084 -15.5555 -15.5552 -15.1340 -15.1265 -14.4752 -14.4712 -14.4471 -14.4400 -14.4019 -14.3940 -5.6980 -5.6888 -4.7028 -4.7003 -3.9552 -3.9398 -2.2137 -2.1797 -1.9233 -1.9139 -1.6190 -1.5928 -0.3294 -0.3195 0.0592 0.0593 0.1687 0.1760 0.8136 0.8275 0.8482 0.8533 0.8540 0.8669 1.5425 1.5425 1.5564 1.5583 1.7729 1.7782 2.0774 2.0798 2.0869 2.0916 2.1923 2.1953 8.3532 8.3547 9.4302 9.4393 9.7694 9.8062 11.1819 11.1879 11.5391 11.5770 k = 0.3333 0.5774 0.2681 ( 4455 PWs) bands (ev): -15.9143 -15.9117 -15.5365 -15.5365 -15.1460 -15.1385 -14.4752 -14.4714 -14.4503 -14.4439 -14.4051 -14.3978 -5.6627 -5.6531 -4.7413 -4.7377 -3.9435 -3.9290 -2.2053 -2.1700 -1.9130 -1.9035 -1.6531 -1.6262 -0.3403 -0.3306 0.0640 0.0641 0.1772 0.1840 0.8372 0.8503 0.8563 0.8606 0.8807 0.8836 1.5417 1.5418 1.5599 1.5619 1.7441 1.7494 2.0675 2.0697 2.0858 2.0858 2.1745 2.1775 8.3495 8.3508 9.4712 9.4824 9.7713 9.8086 11.1840 11.1916 11.5294 11.5678 k = 0.3333 0.5774 0.2838 ( 4467 PWs) bands (ev): -15.9171 -15.9147 -15.5175 -15.5171 -15.1587 -15.1514 -14.4747 -14.4712 -14.4534 -14.4476 -14.4085 -14.4018 -5.6260 -5.6161 -4.7808 -4.7761 -3.9325 -3.9191 -2.1953 -2.1588 -1.9038 -1.8939 -1.6870 -1.6596 -0.3498 -0.3404 0.0694 0.0697 0.1836 0.1900 0.8600 0.8614 0.8673 0.8727 0.9061 0.9073 1.5284 1.5289 1.5746 1.5762 1.7165 1.7217 2.0478 2.0506 2.0901 2.0908 2.1578 2.1609 8.3469 8.3480 9.5099 9.5233 9.7732 9.8106 11.1885 11.1976 11.5182 11.5570 k = 0.3333 0.5774 0.2996 ( 4467 PWs) bands (ev): -15.9195 -15.9174 -15.4983 -15.4976 -15.1723 -15.1651 -14.4738 -14.4708 -14.4562 -14.4511 -14.4120 -14.4060 -5.5880 -5.5778 -4.8210 -4.8154 -3.9223 -3.9101 -2.1836 -2.1460 -1.8958 -1.8854 -1.7203 -1.6929 -0.3578 -0.3488 0.0755 0.0761 0.1881 0.1937 0.8696 0.8753 0.8817 0.8935 0.9297 0.9305 1.5163 1.5171 1.5866 1.5880 1.6903 1.6954 2.0280 2.0310 2.0939 2.0947 2.1427 2.1457 8.3454 8.3463 9.5461 9.5619 9.7751 9.8123 11.1953 11.2060 11.5056 11.5446 k = 0.3333 0.5774 0.3154 ( 4467 PWs) bands (ev): -15.9217 -15.9197 -15.4789 -15.4778 -15.1866 -15.1796 -14.4726 -14.4700 -14.4586 -14.4543 -14.4156 -14.4103 -5.5489 -5.5383 -4.8619 -4.8555 -3.9130 -3.9020 -2.1703 -2.1318 -1.8894 -1.8777 -1.7529 -1.7259 -0.3644 -0.3560 0.0822 0.0831 0.1904 0.1954 0.8800 0.8852 0.9021 0.9130 0.9511 0.9518 1.5056 1.5064 1.5954 1.5971 1.6662 1.6711 2.0086 2.0116 2.0968 2.0976 2.1294 2.1322 8.3446 8.3454 9.5795 9.5978 9.7767 9.8135 11.2043 11.2166 11.4915 11.5307 k = 0.3333 0.5774 0.3311 ( 4458 PWs) bands (ev): -15.9235 -15.9218 -15.4594 -15.4579 -15.2016 -15.1948 -14.4711 -14.4688 -14.4605 -14.4573 -14.4193 -14.4148 -5.5087 -5.4979 -4.9036 -4.8964 -3.9047 -3.8949 -2.1554 -2.1160 -1.8850 -1.8711 -1.7838 -1.7585 -0.3698 -0.3621 0.0896 0.0908 0.1909 0.1951 0.8925 0.8971 0.9209 0.9308 0.9697 0.9704 1.4963 1.4972 1.6011 1.6031 1.6446 1.6493 1.9900 1.9929 2.0988 2.0996 2.1183 2.1209 8.3444 8.3451 9.6100 9.6310 9.7780 9.8141 11.2156 11.2293 11.4759 11.5152 k = 0.3333 0.5774 0.3469 ( 4461 PWs) bands (ev): -15.9250 -15.9235 -15.4398 -15.4379 -15.2173 -15.2108 -14.4697 -14.4674 -14.4618 -14.4600 -14.4231 -14.4194 -5.4677 -5.4566 -4.9459 -4.9380 -3.8972 -3.8888 -2.1389 -2.0988 -1.8841 -1.8653 -1.8116 -1.7906 -0.3740 -0.3672 0.0974 0.0989 0.1895 0.1930 0.9065 0.9105 0.9379 0.9468 0.9851 0.9859 1.4885 1.4894 1.6034 1.6063 1.6263 1.6303 1.9727 1.9753 2.0999 2.1005 2.1094 2.1116 8.3446 8.3452 9.6374 9.6613 9.7788 9.8137 11.2288 11.2439 11.4591 11.4984 k = 0.3333 0.5774 0.3627 ( 4467 PWs) bands (ev): -15.9263 -15.9250 -15.4202 -15.4179 -15.2336 -15.2275 -14.4687 -14.4657 -14.4624 -14.4618 -14.4267 -14.4240 -5.4258 -5.4145 -4.9887 -4.9802 -3.8907 -3.8836 -2.1208 -2.0801 -1.8903 -1.8605 -1.8326 -1.8220 -0.3772 -0.3713 0.1056 0.1076 0.1866 0.1892 0.9216 0.9249 0.9529 0.9605 0.9968 0.9978 1.4821 1.4830 1.6016 1.6068 1.6126 1.6147 1.9570 1.9593 2.1002 2.1003 2.1032 2.1046 8.3451 8.3456 9.6616 9.6886 9.7789 9.8122 11.2440 11.2601 11.4410 11.4804 k = 0.3333 0.5774 0.3784 ( 4467 PWs) bands (ev): -15.9273 -15.9263 -15.4006 -15.3978 -15.2505 -15.2448 -14.4687 -14.4644 -14.4638 -14.4602 -14.4302 -14.4286 -5.3833 -5.3718 -5.0319 -5.0230 -3.8853 -3.8796 -2.1012 -2.0600 -1.9069 -1.8565 -1.8526 -1.8433 -0.3795 -0.3747 0.1140 0.1166 0.1823 0.1840 0.9373 0.9399 0.9656 0.9720 1.0044 1.0057 1.4771 1.4780 1.5948 1.6027 1.6050 1.6055 1.9434 1.9454 2.0976 2.0997 2.0999 2.1009 8.3457 8.3461 9.6824 9.7129 9.7782 9.8095 11.2608 11.2776 11.4219 11.4616 k = 0.3333 0.5774 0.3942 ( 4461 PWs) bands (ev): -15.9280 -15.9273 -15.3811 -15.3778 -15.2679 -15.2626 -14.4690 -14.4661 -14.4618 -14.4575 -14.4335 -14.4332 -5.3402 -5.3287 -5.0755 -5.0662 -3.8808 -3.8765 -2.0802 -2.0385 -1.9306 -1.8823 -1.8534 -1.8467 -0.3811 -0.3773 0.1224 0.1258 0.1770 0.1777 0.9529 0.9548 0.9758 0.9810 1.0078 1.0095 1.4735 1.4742 1.5879 1.5945 1.6006 1.6017 1.9323 1.9340 2.0951 2.0967 2.0991 2.0997 8.3464 8.3466 9.6998 9.7341 9.7768 9.8052 11.2790 11.2958 11.4019 11.4424 k = 0.3333 0.5774 0.4100 ( 4464 PWs) bands (ev): -15.9285 -15.9280 -15.3618 -15.3580 -15.2857 -15.2810 -14.4693 -14.4675 -14.4599 -14.4542 -14.4378 -14.4363 -5.2969 -5.2851 -5.1192 -5.1097 -3.8774 -3.8745 -2.0577 -2.0157 -1.9568 -1.9110 -1.8511 -1.8476 -0.3819 -0.3793 0.1305 0.1351 0.1703 0.1711 0.9676 0.9687 0.9833 0.9874 1.0070 1.0093 1.4711 1.4716 1.5838 1.5900 1.5958 1.5975 1.9243 1.9254 2.0941 2.0952 2.0979 2.0982 8.3469 8.3471 9.7132 9.7524 9.7749 9.7991 11.2984 11.3137 11.3813 11.4238 k = 0.3333 0.5774 0.4257 ( 4464 PWs) bands (ev): -15.9288 -15.9285 -15.3429 -15.3383 -15.3037 -15.2997 -14.4694 -14.4685 -14.4585 -14.4504 -14.4422 -14.4383 -5.2538 -5.2413 -5.1625 -5.1535 -3.8751 -3.8736 -2.0340 -1.9917 -1.9832 -1.9385 -1.8494 -1.8479 -0.3821 -0.3808 0.1372 0.1444 0.1622 0.1657 0.9804 0.9805 0.9879 0.9914 1.0024 1.0061 1.4697 1.4700 1.5824 1.5887 1.5916 1.5933 1.9194 1.9200 2.0942 2.0950 2.0966 2.0967 8.3473 8.3473 9.7220 9.7679 9.7730 9.7910 11.3186 11.3290 11.3604 11.4082 k = 0.3333 0.5774 0.4415 ( 4476 PWs) bands (ev): -15.9288 -15.9288 -15.3284 -15.3189 -15.3189 -15.3179 -14.4691 -14.4691 -14.4580 -14.4464 -14.4464 -14.4390 -5.2199 -5.1974 -5.1974 -5.1964 -3.8738 -3.8738 -2.0090 -2.0090 -1.9712 -1.9602 -1.8484 -1.8484 -0.3817 -0.3817 0.1402 0.1535 0.1535 0.1631 0.9861 0.9884 0.9884 0.9956 0.9956 1.0032 1.4694 1.4694 1.5824 1.5897 1.5901 1.5901 1.9179 1.9179 2.0948 2.0956 2.0956 2.0956 8.3474 8.3474 9.7252 9.7721 9.7807 9.7807 11.3357 11.3394 11.3394 11.4013 Writing output data file GeO2.save init_run : 0.26s CPU 0.56s WALL ( 1 calls) electrons : 521.45s CPU 524.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 521.44s CPU 524.10s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 297 calls) cegterg : 492.81s CPU 495.18s WALL ( 1058 calls) Called by sum_band: Called by *egterg: h_psi : 276.40s CPU 284.32s WALL ( 20186 calls) s_psi : 8.58s CPU 9.47s WALL ( 20186 calls) g_psi : 0.62s CPU 0.71s WALL ( 18831 calls) cdiaghg : 168.20s CPU 164.25s WALL ( 19128 calls) cegterg:over : 20.49s CPU 18.01s WALL ( 18831 calls) cegterg:upda : 5.32s CPU 9.41s WALL ( 18831 calls) cegterg:last : 3.51s CPU 4.39s WALL ( 2246 calls) Called by h_psi: h_psi:vloc : 263.09s CPU 265.65s WALL ( 20186 calls) h_psi:vnl : 13.22s CPU 18.23s WALL ( 20186 calls) add_vuspsi : 4.21s CPU 7.07s WALL ( 20186 calls) General routines calbec : 8.99s CPU 11.11s WALL ( 20186 calls) fft : 0.02s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 261.20s CPU 255.61s WALL ( 1592968 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.13s WALL ( 594 calls) Parallel routines fft_scatter : 242.75s CPU 159.00s WALL ( 1592991 calls) PWSCF : 9m 2.31s CPU 9m24.21s WALL This run was terminated on: 2:18:19 28Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=