Program PWSCF v.5.1.1 starts on 28Jul2015 at 0:37:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 35 9 2363 1033 159 Max 62 36 10 2367 1050 166 Sum 1945 1123 313 75635 33315 5245 bravais-lattice index = 14 lattice parameter (alat) = 9.2993 a.u. unit-cell volume = 766.5006 (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)= 9.299342 celldm(2)= 1.000000 celldm(3)= 1.100589 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 1.100589 ) 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 0.908604 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3668631 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3668631 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3668631 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3668631 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 -E -1 -2C3 -3 -4 Cartesian axes number of k points= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0033003 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0033003 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0033003 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0033003 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0033003 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0033003 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0033003 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0033003 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0033003 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0033003 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0033003 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0033003 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0033003 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0033003 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0033003 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0033003 k( 43) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0033003 k( 44) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0033003 k( 53) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0033003 k( 54) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0033003 k( 55) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0033003 k( 56) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0033003 k( 57) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0033003 k( 58) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0033003 k( 59) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0033003 k( 67) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0033003 k( 68) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0033003 k( 69) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0033003 k( 70) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0033003 k( 71) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0033003 k( 72) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0033003 k( 73) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0033003 k( 74) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0033003 k( 75) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0033003 k( 80) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0033003 k( 81) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0033003 k( 82) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0033003 k( 83) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0033003 k( 84) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0033003 k( 85) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0033003 k( 86) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0033003 k( 87) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0033003 k( 88) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0033003 k( 89) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0033003 k( 90) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0033003 k( 92) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0033003 k( 93) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0033003 k( 94) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0033003 k( 95) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0033003 k( 96) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0033003 k( 97) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0033003 k( 98) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0033003 k( 99) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0033003 k( 100) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0033003 k( 101) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0033003 k( 102) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0033003 k( 103) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0033003 k( 104) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.0151434), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.0302868), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.0454302), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.0605736), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.0757170), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.0908604), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.1060038), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.1211472), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.1362906), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.1514340), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.1665774), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.1817208), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.1968642), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.2120076), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.2271510), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.2422944), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.2574378), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.2725812), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.2877246), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.3028680), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.3180114), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.3331549), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.3482982), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.3634417), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.3785851), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.3937285), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.4088719), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.4240153), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.4391587), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.4543021), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.4543021), wk = 0.0033003 k( 138) = ( 0.0135135 0.0078020 0.4543021), wk = 0.0033003 k( 139) = ( 0.0270270 0.0156041 0.4543021), wk = 0.0033003 k( 140) = ( 0.0405405 0.0234061 0.4543021), wk = 0.0033003 k( 141) = ( 0.0540540 0.0312081 0.4543021), wk = 0.0033003 k( 142) = ( 0.0675676 0.0390102 0.4543021), wk = 0.0033003 k( 143) = ( 0.0810811 0.0468122 0.4543021), wk = 0.0033003 k( 144) = ( 0.0945946 0.0546142 0.4543021), wk = 0.0033003 k( 145) = ( 0.1081081 0.0624162 0.4543021), wk = 0.0033003 k( 146) = ( 0.1216216 0.0702183 0.4543021), wk = 0.0033003 k( 147) = ( 0.1351351 0.0780203 0.4543021), wk = 0.0033003 k( 148) = ( 0.1486486 0.0858223 0.4543021), wk = 0.0033003 k( 149) = ( 0.1621622 0.0936244 0.4543021), wk = 0.0033003 k( 150) = ( 0.1756757 0.1014264 0.4543021), wk = 0.0033003 k( 151) = ( 0.1891892 0.1092284 0.4543021), wk = 0.0033003 k( 152) = ( 0.2027027 0.1170305 0.4543021), wk = 0.0033003 k( 153) = ( 0.2162162 0.1248325 0.4543021), wk = 0.0033003 k( 154) = ( 0.2297297 0.1326345 0.4543021), wk = 0.0033003 k( 155) = ( 0.2432432 0.1404366 0.4543021), wk = 0.0033003 k( 156) = ( 0.2567568 0.1482386 0.4543021), wk = 0.0033003 k( 157) = ( 0.2702703 0.1560406 0.4543021), wk = 0.0033003 k( 158) = ( 0.2837838 0.1638426 0.4543021), wk = 0.0033003 k( 159) = ( 0.2972973 0.1716447 0.4543021), wk = 0.0033003 k( 160) = ( 0.3108108 0.1794467 0.4543021), wk = 0.0033003 k( 161) = ( 0.3243243 0.1872487 0.4543021), wk = 0.0033003 k( 162) = ( 0.3378378 0.1950508 0.4543021), wk = 0.0033003 k( 163) = ( 0.3513514 0.2028528 0.4543021), wk = 0.0033003 k( 164) = ( 0.3648649 0.2106548 0.4543021), wk = 0.0033003 k( 165) = ( 0.3783784 0.2184569 0.4543021), wk = 0.0033003 k( 166) = ( 0.3918919 0.2262589 0.4543021), wk = 0.0033003 k( 167) = ( 0.4054054 0.2340609 0.4543021), wk = 0.0033003 k( 168) = ( 0.4189189 0.2418630 0.4543021), wk = 0.0033003 k( 169) = ( 0.4324324 0.2496650 0.4543021), wk = 0.0033003 k( 170) = ( 0.4459459 0.2574670 0.4543021), wk = 0.0033003 k( 171) = ( 0.4594595 0.2652690 0.4543021), wk = 0.0033003 k( 172) = ( 0.4729730 0.2730711 0.4543021), wk = 0.0033003 k( 173) = ( 0.4864865 0.2808731 0.4543021), wk = 0.0033003 k( 174) = ( 0.5000000 0.2886751 0.4543021), wk = 0.0033003 k( 175) = ( 0.5000000 0.2886751 0.4543021), wk = 0.0033003 k( 176) = ( 0.4924242 0.3017967 0.4543021), wk = 0.0033003 k( 177) = ( 0.4848485 0.3149183 0.4543021), wk = 0.0033003 k( 178) = ( 0.4772727 0.3280399 0.4543021), wk = 0.0033003 k( 179) = ( 0.4696970 0.3411615 0.4543021), wk = 0.0033003 k( 180) = ( 0.4621212 0.3542831 0.4543021), wk = 0.0033003 k( 181) = ( 0.4545455 0.3674047 0.4543021), wk = 0.0033003 k( 182) = ( 0.4469697 0.3805263 0.4543021), wk = 0.0033003 k( 183) = ( 0.4393939 0.3936479 0.4543021), wk = 0.0033003 k( 184) = ( 0.4318182 0.4067695 0.4543021), wk = 0.0033003 k( 185) = ( 0.4242424 0.4198911 0.4543021), wk = 0.0033003 k( 186) = ( 0.4166667 0.4330127 0.4543021), wk = 0.0033003 k( 187) = ( 0.4090909 0.4461343 0.4543021), wk = 0.0033003 k( 188) = ( 0.4015151 0.4592559 0.4543021), wk = 0.0033003 k( 189) = ( 0.3939394 0.4723775 0.4543021), wk = 0.0033003 k( 190) = ( 0.3863636 0.4854991 0.4543021), wk = 0.0033003 k( 191) = ( 0.3787879 0.4986207 0.4543021), wk = 0.0033003 k( 192) = ( 0.3712121 0.5117423 0.4543021), wk = 0.0033003 k( 193) = ( 0.3636364 0.5248639 0.4543021), wk = 0.0033003 k( 194) = ( 0.3560606 0.5379855 0.4543021), wk = 0.0033003 k( 195) = ( 0.3484849 0.5511071 0.4543021), wk = 0.0033003 k( 196) = ( 0.3409091 0.5642287 0.4543021), wk = 0.0033003 k( 197) = ( 0.3333333 0.5773503 0.4543021), wk = 0.0033003 k( 198) = ( 0.3333333 0.5773503 0.4543021), wk = 0.0033003 k( 199) = ( 0.3255814 0.5639235 0.4543021), wk = 0.0033003 k( 200) = ( 0.3178295 0.5504968 0.4543021), wk = 0.0033003 k( 201) = ( 0.3100775 0.5370700 0.4543021), wk = 0.0033003 k( 202) = ( 0.3023256 0.5236433 0.4543021), wk = 0.0033003 k( 203) = ( 0.2945736 0.5102165 0.4543021), wk = 0.0033003 k( 204) = ( 0.2868217 0.4967898 0.4543021), wk = 0.0033003 k( 205) = ( 0.2790698 0.4833630 0.4543021), wk = 0.0033003 k( 206) = ( 0.2713178 0.4699363 0.4543021), wk = 0.0033003 k( 207) = ( 0.2635659 0.4565095 0.4543021), wk = 0.0033003 k( 208) = ( 0.2558140 0.4430828 0.4543021), wk = 0.0033003 k( 209) = ( 0.2480620 0.4296560 0.4543021), wk = 0.0033003 k( 210) = ( 0.2403101 0.4162293 0.4543021), wk = 0.0033003 k( 211) = ( 0.2325581 0.4028025 0.4543021), wk = 0.0033003 k( 212) = ( 0.2248062 0.3893758 0.4543021), wk = 0.0033003 k( 213) = ( 0.2170543 0.3759490 0.4543021), wk = 0.0033003 k( 214) = ( 0.2093023 0.3625223 0.4543021), wk = 0.0033003 k( 215) = ( 0.2015504 0.3490955 0.4543021), wk = 0.0033003 k( 216) = ( 0.1937985 0.3356688 0.4543021), wk = 0.0033003 k( 217) = ( 0.1860465 0.3222420 0.4543021), wk = 0.0033003 k( 218) = ( 0.1782946 0.3088153 0.4543021), wk = 0.0033003 k( 219) = ( 0.1705426 0.2953885 0.4543021), wk = 0.0033003 k( 220) = ( 0.1627907 0.2819618 0.4543021), wk = 0.0033003 k( 221) = ( 0.1550388 0.2685350 0.4543021), wk = 0.0033003 k( 222) = ( 0.1472868 0.2551083 0.4543021), wk = 0.0033003 k( 223) = ( 0.1395349 0.2416815 0.4543021), wk = 0.0033003 k( 224) = ( 0.1317830 0.2282548 0.4543021), wk = 0.0033003 k( 225) = ( 0.1240310 0.2148280 0.4543021), wk = 0.0033003 k( 226) = ( 0.1162791 0.2014013 0.4543021), wk = 0.0033003 k( 227) = ( 0.1085271 0.1879745 0.4543021), wk = 0.0033003 k( 228) = ( 0.1007752 0.1745477 0.4543021), wk = 0.0033003 k( 229) = ( 0.0930233 0.1611210 0.4543021), wk = 0.0033003 k( 230) = ( 0.0852713 0.1476943 0.4543021), wk = 0.0033003 k( 231) = ( 0.0775194 0.1342675 0.4543021), wk = 0.0033003 k( 232) = ( 0.0697674 0.1208408 0.4543021), wk = 0.0033003 k( 233) = ( 0.0620155 0.1074140 0.4543021), wk = 0.0033003 k( 234) = ( 0.0542636 0.0939873 0.4543021), wk = 0.0033003 k( 235) = ( 0.0465116 0.0805605 0.4543021), wk = 0.0033003 k( 236) = ( 0.0387597 0.0671338 0.4543021), wk = 0.0033003 k( 237) = ( 0.0310078 0.0537070 0.4543021), wk = 0.0033003 k( 238) = ( 0.0232558 0.0402802 0.4543021), wk = 0.0033003 k( 239) = ( 0.0155039 0.0268535 0.4543021), wk = 0.0033003 k( 240) = ( 0.0077519 0.0134268 0.4543021), wk = 0.0033003 k( 241) = ( 0.0000000 0.0000000 0.4543021), wk = 0.0033003 k( 242) = ( 0.5000000 0.2886751 0.4543021), wk = 0.0033003 k( 243) = ( 0.5000000 0.2886751 0.4391587), wk = 0.0033003 k( 244) = ( 0.5000000 0.2886751 0.4240153), wk = 0.0033003 k( 245) = ( 0.5000000 0.2886751 0.4088719), wk = 0.0033003 k( 246) = ( 0.5000000 0.2886751 0.3937285), wk = 0.0033003 k( 247) = ( 0.5000000 0.2886751 0.3785851), wk = 0.0033003 k( 248) = ( 0.5000000 0.2886751 0.3634417), wk = 0.0033003 k( 249) = ( 0.5000000 0.2886751 0.3482982), wk = 0.0033003 k( 250) = ( 0.5000000 0.2886751 0.3331549), wk = 0.0033003 k( 251) = ( 0.5000000 0.2886751 0.3180114), wk = 0.0033003 k( 252) = ( 0.5000000 0.2886751 0.3028680), wk = 0.0033003 k( 253) = ( 0.5000000 0.2886751 0.2877246), wk = 0.0033003 k( 254) = ( 0.5000000 0.2886751 0.2725812), wk = 0.0033003 k( 255) = ( 0.5000000 0.2886751 0.2574378), wk = 0.0033003 k( 256) = ( 0.5000000 0.2886751 0.2422944), wk = 0.0033003 k( 257) = ( 0.5000000 0.2886751 0.2271510), wk = 0.0033003 k( 258) = ( 0.5000000 0.2886751 0.2120076), wk = 0.0033003 k( 259) = ( 0.5000000 0.2886751 0.1968642), wk = 0.0033003 k( 260) = ( 0.5000000 0.2886751 0.1817208), wk = 0.0033003 k( 261) = ( 0.5000000 0.2886751 0.1665774), wk = 0.0033003 k( 262) = ( 0.5000000 0.2886751 0.1514340), wk = 0.0033003 k( 263) = ( 0.5000000 0.2886751 0.1362906), wk = 0.0033003 k( 264) = ( 0.5000000 0.2886751 0.1211472), wk = 0.0033003 k( 265) = ( 0.5000000 0.2886751 0.1060038), wk = 0.0033003 k( 266) = ( 0.5000000 0.2886751 0.0908604), wk = 0.0033003 k( 267) = ( 0.5000000 0.2886751 0.0757170), wk = 0.0033003 k( 268) = ( 0.5000000 0.2886751 0.0605736), wk = 0.0033003 k( 269) = ( 0.5000000 0.2886751 0.0454302), wk = 0.0033003 k( 270) = ( 0.5000000 0.2886751 0.0302868), wk = 0.0033003 k( 271) = ( 0.5000000 0.2886751 0.0151434), wk = 0.0033003 k( 272) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 273) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 274) = ( 0.3333333 0.5773503 0.0151434), wk = 0.0033003 k( 275) = ( 0.3333333 0.5773503 0.0302868), wk = 0.0033003 k( 276) = ( 0.3333333 0.5773503 0.0454302), wk = 0.0033003 k( 277) = ( 0.3333333 0.5773503 0.0605736), wk = 0.0033003 k( 278) = ( 0.3333333 0.5773503 0.0757170), wk = 0.0033003 k( 279) = ( 0.3333333 0.5773503 0.0908604), wk = 0.0033003 k( 280) = ( 0.3333333 0.5773503 0.1060038), wk = 0.0033003 k( 281) = ( 0.3333333 0.5773503 0.1211472), wk = 0.0033003 k( 282) = ( 0.3333333 0.5773503 0.1362906), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 0.1514340), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.1665774), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.1817208), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.1968642), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.2120076), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.2271510), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.2422944), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.2574378), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.2725812), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.2877246), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.3028680), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.3180114), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.3331549), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.3482982), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.3634417), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.3785851), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.3937285), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.4088719), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.4240153), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.4391587), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.4543021), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0135135 0.0000000 0.0000000), wk = 0.0033003 k( 3) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0033003 k( 4) = ( 0.0405405 -0.0000000 0.0000000), wk = 0.0033003 k( 5) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0033003 k( 6) = ( 0.0675676 0.0000000 0.0000000), wk = 0.0033003 k( 7) = ( 0.0810811 -0.0000000 0.0000000), wk = 0.0033003 k( 8) = ( 0.0945946 -0.0000000 0.0000000), wk = 0.0033003 k( 9) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0033003 k( 10) = ( 0.1216216 -0.0000000 0.0000000), wk = 0.0033003 k( 11) = ( 0.1351351 0.0000000 0.0000000), wk = 0.0033003 k( 12) = ( 0.1486486 0.0000000 0.0000000), wk = 0.0033003 k( 13) = ( 0.1621622 -0.0000000 0.0000000), wk = 0.0033003 k( 14) = ( 0.1756757 -0.0000000 0.0000000), wk = 0.0033003 k( 15) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0033003 k( 16) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0033003 k( 17) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0033003 k( 18) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0033003 k( 19) = ( 0.2432432 -0.0000000 0.0000000), wk = 0.0033003 k( 20) = ( 0.2567568 -0.0000000 0.0000000), wk = 0.0033003 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0033003 k( 22) = ( 0.2837838 0.0000000 0.0000000), wk = 0.0033003 k( 23) = ( 0.2972973 0.0000000 0.0000000), wk = 0.0033003 k( 24) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0033003 k( 25) = ( 0.3243243 -0.0000000 0.0000000), wk = 0.0033003 k( 26) = ( 0.3378378 -0.0000000 0.0000000), wk = 0.0033003 k( 27) = ( 0.3513514 0.0000000 0.0000000), wk = 0.0033003 k( 28) = ( 0.3648649 -0.0000000 0.0000000), wk = 0.0033003 k( 29) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0033003 k( 30) = ( 0.3918919 0.0000000 0.0000000), wk = 0.0033003 k( 31) = ( 0.4054054 0.0000000 0.0000000), wk = 0.0033003 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0033003 k( 33) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0033003 k( 34) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0033003 k( 35) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0033003 k( 36) = ( 0.4729730 -0.0000000 0.0000000), wk = 0.0033003 k( 37) = ( 0.4864865 -0.0000000 0.0000000), wk = 0.0033003 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033003 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033003 k( 40) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0033003 k( 41) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0033003 k( 42) = ( 0.4772727 0.0454545 0.0000000), wk = 0.0033003 k( 43) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0033003 k( 44) = ( 0.4621212 0.0757576 0.0000000), wk = 0.0033003 k( 45) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0033003 k( 46) = ( 0.4469697 0.1060606 0.0000000), wk = 0.0033003 k( 47) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0033003 k( 48) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0033003 k( 49) = ( 0.4242424 0.1515152 0.0000000), wk = 0.0033003 k( 50) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033003 k( 51) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0033003 k( 53) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0033003 k( 54) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0033003 k( 55) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0033003 k( 56) = ( 0.3712121 0.2575758 0.0000000), wk = 0.0033003 k( 57) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0033003 k( 58) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0033003 k( 59) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0033003 k( 60) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0033003 k( 61) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 63) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3178295 0.3178295 0.0000000), wk = 0.0033003 k( 65) = ( 0.3100775 0.3100775 0.0000000), wk = 0.0033003 k( 66) = ( 0.3023256 0.3023256 0.0000000), wk = 0.0033003 k( 67) = ( 0.2945736 0.2945736 0.0000000), wk = 0.0033003 k( 68) = ( 0.2868217 0.2868217 0.0000000), wk = 0.0033003 k( 69) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0033003 k( 70) = ( 0.2713178 0.2713178 0.0000000), wk = 0.0033003 k( 71) = ( 0.2635659 0.2635659 0.0000000), wk = 0.0033003 k( 72) = ( 0.2558140 0.2558139 0.0000000), wk = 0.0033003 k( 73) = ( 0.2480620 0.2480620 0.0000000), wk = 0.0033003 k( 74) = ( 0.2403101 0.2403101 0.0000000), wk = 0.0033003 k( 75) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0033003 k( 76) = ( 0.2248062 0.2248062 0.0000000), wk = 0.0033003 k( 77) = ( 0.2170543 0.2170543 0.0000000), wk = 0.0033003 k( 78) = ( 0.2093023 0.2093023 0.0000000), wk = 0.0033003 k( 79) = ( 0.2015504 0.2015504 0.0000000), wk = 0.0033003 k( 80) = ( 0.1937985 0.1937985 0.0000000), wk = 0.0033003 k( 81) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0033003 k( 82) = ( 0.1782946 0.1782946 0.0000000), wk = 0.0033003 k( 83) = ( 0.1705426 0.1705426 0.0000000), wk = 0.0033003 k( 84) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0033003 k( 85) = ( 0.1550388 0.1550388 0.0000000), wk = 0.0033003 k( 86) = ( 0.1472868 0.1472868 0.0000000), wk = 0.0033003 k( 87) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0033003 k( 88) = ( 0.1317830 0.1317830 0.0000000), wk = 0.0033003 k( 89) = ( 0.1240310 0.1240310 0.0000000), wk = 0.0033003 k( 90) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0033003 k( 91) = ( 0.1085271 0.1085271 0.0000000), wk = 0.0033003 k( 92) = ( 0.1007752 0.1007752 0.0000000), wk = 0.0033003 k( 93) = ( 0.0930233 0.0930233 0.0000000), wk = 0.0033003 k( 94) = ( 0.0852713 0.0852713 0.0000000), wk = 0.0033003 k( 95) = ( 0.0775194 0.0775194 0.0000000), wk = 0.0033003 k( 96) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0033003 k( 97) = ( 0.0620155 0.0620155 0.0000000), wk = 0.0033003 k( 98) = ( 0.0542636 0.0542636 0.0000000), wk = 0.0033003 k( 99) = ( 0.0465116 0.0465116 0.0000000), wk = 0.0033003 k( 100) = ( 0.0387597 0.0387597 0.0000000), wk = 0.0033003 k( 101) = ( 0.0310078 0.0310078 0.0000000), wk = 0.0033003 k( 102) = ( 0.0232558 0.0232558 0.0000000), wk = 0.0033003 k( 103) = ( 0.0155039 0.0155039 -0.0000000), wk = 0.0033003 k( 104) = ( 0.0077519 0.0077519 -0.0000000), wk = 0.0033003 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 107) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0033003 k( 108) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0033003 k( 109) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033003 k( 110) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0033003 k( 111) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033003 k( 112) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033003 k( 113) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0033003 k( 114) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0033003 k( 115) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033003 k( 116) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 138) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0033003 k( 139) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0033003 k( 140) = ( 0.0405405 -0.0000000 0.5000000), wk = 0.0033003 k( 141) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0033003 k( 142) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0033003 k( 143) = ( 0.0810811 -0.0000000 0.5000000), wk = 0.0033003 k( 144) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0033003 k( 145) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0033003 k( 146) = ( 0.1216216 -0.0000000 0.5000000), wk = 0.0033003 k( 147) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0033003 k( 148) = ( 0.1486486 0.0000000 0.5000000), wk = 0.0033003 k( 149) = ( 0.1621622 -0.0000000 0.5000000), wk = 0.0033003 k( 150) = ( 0.1756757 -0.0000000 0.5000000), wk = 0.0033003 k( 151) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0033003 k( 152) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0033003 k( 153) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0033003 k( 154) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0033003 k( 155) = ( 0.2432432 -0.0000000 0.5000000), wk = 0.0033003 k( 156) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0033003 k( 157) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0033003 k( 158) = ( 0.2837838 0.0000000 0.5000000), wk = 0.0033003 k( 159) = ( 0.2972973 0.0000000 0.5000000), wk = 0.0033003 k( 160) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0033003 k( 161) = ( 0.3243243 -0.0000000 0.5000000), wk = 0.0033003 k( 162) = ( 0.3378378 -0.0000000 0.5000000), wk = 0.0033003 k( 163) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0033003 k( 164) = ( 0.3648649 -0.0000000 0.5000000), wk = 0.0033003 k( 165) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0033003 k( 166) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0033003 k( 167) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0033003 k( 168) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0033003 k( 169) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0033003 k( 170) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0033003 k( 171) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0033003 k( 172) = ( 0.4729730 -0.0000000 0.5000000), wk = 0.0033003 k( 173) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0033003 k( 174) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 176) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0033003 k( 177) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0033003 k( 178) = ( 0.4772727 0.0454545 0.5000000), wk = 0.0033003 k( 179) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0033003 k( 180) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0033003 k( 181) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0033003 k( 182) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0033003 k( 183) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0033003 k( 184) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0033003 k( 185) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0033003 k( 186) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033003 k( 187) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0033003 k( 188) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0033003 k( 189) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0033003 k( 190) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0033003 k( 191) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0033003 k( 192) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0033003 k( 193) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0033003 k( 194) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0033003 k( 195) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0033003 k( 196) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0033003 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 198) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 199) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0033003 k( 200) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0033003 k( 201) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0033003 k( 202) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0033003 k( 203) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0033003 k( 204) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0033003 k( 205) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0033003 k( 206) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0033003 k( 207) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0033003 k( 208) = ( 0.2558140 0.2558139 0.5000000), wk = 0.0033003 k( 209) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0033003 k( 210) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0033003 k( 211) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0033003 k( 212) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0033003 k( 213) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0033003 k( 214) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0033003 k( 215) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0033003 k( 216) = ( 0.1937985 0.1937985 0.5000000), wk = 0.0033003 k( 217) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0033003 k( 218) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0033003 k( 219) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0033003 k( 220) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0033003 k( 221) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0033003 k( 222) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0033003 k( 223) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0033003 k( 224) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0033003 k( 225) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0033003 k( 226) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0033003 k( 227) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0033003 k( 228) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0033003 k( 229) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0033003 k( 230) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0033003 k( 231) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0033003 k( 232) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0033003 k( 233) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0033003 k( 234) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0033003 k( 235) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0033003 k( 236) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0033003 k( 237) = ( 0.0310078 0.0310078 0.5000000), wk = 0.0033003 k( 238) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0033003 k( 239) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0033003 k( 240) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0033003 k( 241) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 242) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 243) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0033003 k( 244) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0033003 k( 245) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0033003 k( 246) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0033003 k( 247) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033003 k( 248) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0033003 k( 249) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0033003 k( 250) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0033003 k( 251) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0033003 k( 252) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033003 k( 253) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0033003 k( 254) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0033003 k( 255) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0033003 k( 256) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0033003 k( 257) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033003 k( 258) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0033003 k( 259) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0033003 k( 260) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0033003 k( 261) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0033003 k( 262) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033003 k( 263) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0033003 k( 264) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0033003 k( 265) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0033003 k( 266) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0033003 k( 267) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033003 k( 268) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0033003 k( 269) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0033003 k( 270) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0033003 k( 271) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0033003 k( 272) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033003 k( 273) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 274) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0033003 k( 275) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0033003 k( 276) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0033003 k( 277) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0033003 k( 278) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033003 k( 279) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033003 k( 280) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0033003 k( 281) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0033003 k( 282) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0033003 k( 283) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033003 k( 284) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0033003 k( 285) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033003 k( 286) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0033003 k( 287) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0033003 k( 288) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033003 k( 289) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0033003 k( 290) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0033003 k( 291) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033003 k( 292) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0033003 k( 293) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033003 k( 294) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0033003 k( 295) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0033003 k( 296) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0033003 k( 297) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033003 k( 298) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033003 k( 299) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0033003 k( 300) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0033003 k( 301) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0033003 k( 302) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0033003 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 Dense grid: 75635 G-vectors FFT dimensions: ( 54, 54, 60) Smooth grid: 33315 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 278, 58) NL pseudopotentials 0.27 Mb ( 139, 126) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2364) G-vector shells 0.01 Mb ( 997) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.98 Mb ( 278, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 Mb ( 126, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 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 8.4 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 12.3 secs Computing kpt #: 9 total cpu time spent up to now is 13.7 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.6 secs Computing kpt #: 13 total cpu time spent up to now is 18.9 secs Computing kpt #: 14 total cpu time spent up to now is 20.3 secs Computing kpt #: 15 total cpu time spent up to now is 21.6 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 24.3 secs Computing kpt #: 18 total cpu time spent up to now is 25.8 secs Computing kpt #: 19 total cpu time spent up to now is 27.2 secs Computing kpt #: 20 total cpu time spent up to now is 28.6 secs Computing kpt #: 21 total cpu time spent up to now is 30.0 secs Computing kpt #: 22 total cpu time spent up to now is 31.6 secs Computing kpt #: 23 total cpu time spent up to now is 33.2 secs Computing kpt #: 24 total cpu time spent up to now is 34.8 secs Computing kpt #: 25 total cpu time spent up to now is 36.7 secs Computing kpt #: 26 total cpu time spent up to now is 38.7 secs Computing kpt #: 27 total cpu time spent up to now is 40.7 secs Computing kpt #: 28 total cpu time spent up to now is 43.0 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.6 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.2 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.9 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.5 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.1 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.8 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.4 secs Computing kpt #: 36 total cpu time spent up to now is 63.4 secs Computing kpt #: 37 total cpu time spent up to now is 65.7 secs Computing kpt #: 38 total cpu time spent up to now is 67.3 secs Computing kpt #: 39 total cpu time spent up to now is 69.1 secs Computing kpt #: 40 total cpu time spent up to now is 71.0 secs Computing kpt #: 41 total cpu time spent up to now is 72.9 secs Computing kpt #: 42 total cpu time spent up to now is 74.6 secs Computing kpt #: 43 total cpu time spent up to now is 77.1 secs Computing kpt #: 44 total cpu time spent up to now is 79.0 secs Computing kpt #: 45 total cpu time spent up to now is 81.3 secs Computing kpt #: 46 total cpu time spent up to now is 83.2 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 85.9 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.6 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.2 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.9 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.5 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.2 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.9 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.5 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.2 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 109.9 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.6 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.3 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.0 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.8 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.6 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 126.3 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.1 secs Computing kpt #: 64 total cpu time spent up to now is 131.8 secs Computing kpt #: 65 total cpu time spent up to now is 133.7 secs Computing kpt #: 66 total cpu time spent up to now is 135.5 secs Computing kpt #: 67 total cpu time spent up to now is 137.1 secs Computing kpt #: 68 total cpu time spent up to now is 138.7 secs Computing kpt #: 69 total cpu time spent up to now is 140.4 secs Computing kpt #: 70 total cpu time spent up to now is 141.9 secs Computing kpt #: 71 total cpu time spent up to now is 143.6 secs Computing kpt #: 72 total cpu time spent up to now is 145.3 secs Computing kpt #: 73 total cpu time spent up to now is 147.1 secs Computing kpt #: 74 total cpu time spent up to now is 148.7 secs Computing kpt #: 75 total cpu time spent up to now is 150.3 secs Computing kpt #: 76 total cpu time spent up to now is 152.1 secs Computing kpt #: 77 total cpu time spent up to now is 153.7 secs Computing kpt #: 78 total cpu time spent up to now is 155.3 secs Computing kpt #: 79 total cpu time spent up to now is 157.1 secs Computing kpt #: 80 total cpu time spent up to now is 158.7 secs Computing kpt #: 81 total cpu time spent up to now is 160.1 secs Computing kpt #: 82 total cpu time spent up to now is 161.5 secs Computing kpt #: 83 total cpu time spent up to now is 163.0 secs Computing kpt #: 84 total cpu time spent up to now is 164.4 secs Computing kpt #: 85 total cpu time spent up to now is 165.8 secs Computing kpt #: 86 total cpu time spent up to now is 167.3 secs Computing kpt #: 87 total cpu time spent up to now is 168.7 secs Computing kpt #: 88 total cpu time spent up to now is 170.1 secs Computing kpt #: 89 total cpu time spent up to now is 171.5 secs Computing kpt #: 90 total cpu time spent up to now is 172.9 secs Computing kpt #: 91 total cpu time spent up to now is 174.2 secs Computing kpt #: 92 total cpu time spent up to now is 175.6 secs Computing kpt #: 93 total cpu time spent up to now is 176.9 secs Computing kpt #: 94 total cpu time spent up to now is 178.3 secs Computing kpt #: 95 total cpu time spent up to now is 179.6 secs Computing kpt #: 96 total cpu time spent up to now is 180.9 secs Computing kpt #: 97 total cpu time spent up to now is 182.2 secs Computing kpt #: 98 total cpu time spent up to now is 183.5 secs Computing kpt #: 99 total cpu time spent up to now is 184.7 secs Computing kpt #: 100 total cpu time spent up to now is 186.0 secs Computing kpt #: 101 total cpu time spent up to now is 187.3 secs Computing kpt #: 102 total cpu time spent up to now is 188.6 secs Computing kpt #: 103 total cpu time spent up to now is 189.9 secs Computing kpt #: 104 total cpu time spent up to now is 191.1 secs Computing kpt #: 105 total cpu time spent up to now is 192.3 secs Computing kpt #: 106 total cpu time spent up to now is 193.5 secs Computing kpt #: 107 total cpu time spent up to now is 194.8 secs Computing kpt #: 108 total cpu time spent up to now is 196.1 secs Computing kpt #: 109 total cpu time spent up to now is 197.4 secs Computing kpt #: 110 total cpu time spent up to now is 198.7 secs Computing kpt #: 111 total cpu time spent up to now is 200.0 secs Computing kpt #: 112 total cpu time spent up to now is 201.3 secs Computing kpt #: 113 total cpu time spent up to now is 202.6 secs Computing kpt #: 114 total cpu time spent up to now is 203.9 secs Computing kpt #: 115 total cpu time spent up to now is 205.2 secs Computing kpt #: 116 total cpu time spent up to now is 206.5 secs Computing kpt #: 117 total cpu time spent up to now is 207.9 secs Computing kpt #: 118 total cpu time spent up to now is 209.2 secs Computing kpt #: 119 total cpu time spent up to now is 210.6 secs Computing kpt #: 120 total cpu time spent up to now is 212.0 secs Computing kpt #: 121 total cpu time spent up to now is 213.5 secs Computing kpt #: 122 total cpu time spent up to now is 215.1 secs Computing kpt #: 123 total cpu time spent up to now is 216.9 secs Computing kpt #: 124 total cpu time spent up to now is 219.1 secs Computing kpt #: 125 total cpu time spent up to now is 221.4 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.0 secs Computing kpt #: 127 total cpu time spent up to now is 225.6 secs Computing kpt #: 128 total cpu time spent up to now is 227.2 secs Computing kpt #: 129 total cpu time spent up to now is 228.7 secs Computing kpt #: 130 total cpu time spent up to now is 230.2 secs Computing kpt #: 131 total cpu time spent up to now is 231.6 secs Computing kpt #: 132 total cpu time spent up to now is 233.0 secs Computing kpt #: 133 total cpu time spent up to now is 234.3 secs Computing kpt #: 134 total cpu time spent up to now is 235.7 secs Computing kpt #: 135 total cpu time spent up to now is 237.0 secs Computing kpt #: 136 total cpu time spent up to now is 238.3 secs Computing kpt #: 137 total cpu time spent up to now is 239.6 secs Computing kpt #: 138 total cpu time spent up to now is 240.9 secs Computing kpt #: 139 total cpu time spent up to now is 242.2 secs Computing kpt #: 140 total cpu time spent up to now is 243.6 secs Computing kpt #: 141 total cpu time spent up to now is 244.9 secs Computing kpt #: 142 total cpu time spent up to now is 246.3 secs Computing kpt #: 143 total cpu time spent up to now is 247.6 secs Computing kpt #: 144 total cpu time spent up to now is 249.0 secs Computing kpt #: 145 total cpu time spent up to now is 250.4 secs Computing kpt #: 146 total cpu time spent up to now is 251.8 secs Computing kpt #: 147 total cpu time spent up to now is 253.2 secs Computing kpt #: 148 total cpu time spent up to now is 254.6 secs Computing kpt #: 149 total cpu time spent up to now is 256.0 secs Computing kpt #: 150 total cpu time spent up to now is 257.4 secs Computing kpt #: 151 total cpu time spent up to now is 258.8 secs Computing kpt #: 152 total cpu time spent up to now is 260.2 secs Computing kpt #: 153 total cpu time spent up to now is 261.7 secs Computing kpt #: 154 total cpu time spent up to now is 263.2 secs Computing kpt #: 155 total cpu time spent up to now is 264.6 secs Computing kpt #: 156 total cpu time spent up to now is 266.2 secs Computing kpt #: 157 total cpu time spent up to now is 267.8 secs Computing kpt #: 158 total cpu time spent up to now is 269.4 secs Computing kpt #: 159 total cpu time spent up to now is 271.3 secs Computing kpt #: 160 total cpu time spent up to now is 272.9 secs Computing kpt #: 161 total cpu time spent up to now is 274.8 secs Computing kpt #: 162 total cpu time spent up to now is 276.6 secs Computing kpt #: 163 total cpu time spent up to now is 278.4 secs Computing kpt #: 164 total cpu time spent up to now is 280.3 secs Computing kpt #: 165 total cpu time spent up to now is 282.1 secs Computing kpt #: 166 total cpu time spent up to now is 284.0 secs Computing kpt #: 167 total cpu time spent up to now is 285.8 secs Computing kpt #: 168 total cpu time spent up to now is 287.7 secs Computing kpt #: 169 total cpu time spent up to now is 289.3 secs Computing kpt #: 170 total cpu time spent up to now is 290.9 secs Computing kpt #: 171 total cpu time spent up to now is 292.6 secs Computing kpt #: 172 total cpu time spent up to now is 294.4 secs Computing kpt #: 173 total cpu time spent up to now is 296.1 secs Computing kpt #: 174 total cpu time spent up to now is 297.7 secs Computing kpt #: 175 total cpu time spent up to now is 299.4 secs Computing kpt #: 176 total cpu time spent up to now is 301.0 secs Computing kpt #: 177 total cpu time spent up to now is 302.8 secs Computing kpt #: 178 total cpu time spent up to now is 304.5 secs Computing kpt #: 179 total cpu time spent up to now is 306.2 secs Computing kpt #: 180 total cpu time spent up to now is 308.0 secs Computing kpt #: 181 total cpu time spent up to now is 309.7 secs Computing kpt #: 182 total cpu time spent up to now is 311.4 secs Computing kpt #: 183 total cpu time spent up to now is 313.2 secs Computing kpt #: 184 total cpu time spent up to now is 314.8 secs Computing kpt #: 185 total cpu time spent up to now is 316.5 secs Computing kpt #: 186 total cpu time spent up to now is 318.1 secs Computing kpt #: 187 total cpu time spent up to now is 319.8 secs Computing kpt #: 188 total cpu time spent up to now is 321.4 secs Computing kpt #: 189 total cpu time spent up to now is 323.2 secs Computing kpt #: 190 total cpu time spent up to now is 325.0 secs Computing kpt #: 191 total cpu time spent up to now is 326.8 secs Computing kpt #: 192 total cpu time spent up to now is 328.8 secs Computing kpt #: 193 total cpu time spent up to now is 330.7 secs Computing kpt #: 194 total cpu time spent up to now is 332.7 secs Computing kpt #: 195 total cpu time spent up to now is 334.7 secs Computing kpt #: 196 total cpu time spent up to now is 336.5 secs Computing kpt #: 197 total cpu time spent up to now is 338.5 secs Computing kpt #: 198 total cpu time spent up to now is 340.4 secs Computing kpt #: 199 total cpu time spent up to now is 342.3 secs Computing kpt #: 200 total cpu time spent up to now is 344.1 secs Computing kpt #: 201 total cpu time spent up to now is 346.1 secs Computing kpt #: 202 total cpu time spent up to now is 348.1 secs Computing kpt #: 203 total cpu time spent up to now is 350.1 secs Computing kpt #: 204 total cpu time spent up to now is 352.1 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 354.8 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 357.5 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 360.1 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.8 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.4 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.0 secs Computing kpt #: 211 total cpu time spent up to now is 370.6 secs Computing kpt #: 212 total cpu time spent up to now is 372.5 secs Computing kpt #: 213 total cpu time spent up to now is 374.4 secs Computing kpt #: 214 total cpu time spent up to now is 376.3 secs Computing kpt #: 215 total cpu time spent up to now is 378.2 secs Computing kpt #: 216 total cpu time spent up to now is 380.0 secs Computing kpt #: 217 total cpu time spent up to now is 381.9 secs Computing kpt #: 218 total cpu time spent up to now is 383.7 secs Computing kpt #: 219 total cpu time spent up to now is 385.3 secs Computing kpt #: 220 total cpu time spent up to now is 386.9 secs Computing kpt #: 221 total cpu time spent up to now is 388.5 secs Computing kpt #: 222 total cpu time spent up to now is 389.9 secs Computing kpt #: 223 total cpu time spent up to now is 391.3 secs Computing kpt #: 224 total cpu time spent up to now is 392.7 secs Computing kpt #: 225 total cpu time spent up to now is 394.2 secs Computing kpt #: 226 total cpu time spent up to now is 395.6 secs Computing kpt #: 227 total cpu time spent up to now is 397.1 secs Computing kpt #: 228 total cpu time spent up to now is 398.5 secs Computing kpt #: 229 total cpu time spent up to now is 399.9 secs Computing kpt #: 230 total cpu time spent up to now is 401.4 secs Computing kpt #: 231 total cpu time spent up to now is 402.7 secs Computing kpt #: 232 total cpu time spent up to now is 404.1 secs Computing kpt #: 233 total cpu time spent up to now is 405.6 secs Computing kpt #: 234 total cpu time spent up to now is 407.0 secs Computing kpt #: 235 total cpu time spent up to now is 408.3 secs Computing kpt #: 236 total cpu time spent up to now is 409.6 secs Computing kpt #: 237 total cpu time spent up to now is 411.0 secs Computing kpt #: 238 total cpu time spent up to now is 412.3 secs Computing kpt #: 239 total cpu time spent up to now is 413.6 secs Computing kpt #: 240 total cpu time spent up to now is 414.9 secs Computing kpt #: 241 total cpu time spent up to now is 416.2 secs Computing kpt #: 242 total cpu time spent up to now is 417.8 secs Computing kpt #: 243 total cpu time spent up to now is 419.5 secs Computing kpt #: 244 total cpu time spent up to now is 421.3 secs Computing kpt #: 245 total cpu time spent up to now is 423.1 secs Computing kpt #: 246 total cpu time spent up to now is 424.9 secs Computing kpt #: 247 total cpu time spent up to now is 426.9 secs Computing kpt #: 248 total cpu time spent up to now is 429.3 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.9 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.6 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.3 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.9 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.6 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 445.3 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.9 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 450.6 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 453.2 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.9 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.5 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.2 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.8 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 466.4 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.1 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 471.7 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 474.4 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 477.0 secs Computing kpt #: 267 total cpu time spent up to now is 479.3 secs Computing kpt #: 268 total cpu time spent up to now is 481.0 secs Computing kpt #: 269 total cpu time spent up to now is 482.9 secs Computing kpt #: 270 total cpu time spent up to now is 485.8 secs Computing kpt #: 271 total cpu time spent up to now is 487.6 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 489.9 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 492.7 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 495.5 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 498.3 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.1 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 503.8 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 506.5 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 509.3 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 512.1 secs Computing kpt #: 281 total cpu time spent up to now is 514.8 secs Computing kpt #: 282 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 517.7 secs Computing kpt #: 283 total cpu time spent up to now is 520.5 secs Computing kpt #: 284 total cpu time spent up to now is 522.7 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 525.5 secs Computing kpt #: 286 total cpu time spent up to now is 527.6 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 530.5 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 533.3 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 536.2 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 539.0 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 541.9 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 544.7 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 547.6 secs Computing kpt #: 294 total cpu time spent up to now is 550.0 secs Computing kpt #: 295 total cpu time spent up to now is 552.1 secs Computing kpt #: 296 total cpu time spent up to now is 554.2 secs Computing kpt #: 297 total cpu time spent up to now is 556.3 secs Computing kpt #: 298 total cpu time spent up to now is 558.3 secs Computing kpt #: 299 total cpu time spent up to now is 560.3 secs Computing kpt #: 300 total cpu time spent up to now is 562.3 secs Computing kpt #: 301 total cpu time spent up to now is 564.3 secs Computing kpt #: 302 total cpu time spent up to now is 566.1 secs Computing kpt #: 303 total cpu time spent up to now is 568.1 secs ethr = 2.08E-11, avg # of iterations = 66.8 total cpu time spent up to now is 568.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4157 PWs) bands (ev): -16.9522 -16.9522 -15.4280 -15.4280 -15.4279 -15.4279 -14.7934 -14.7934 -14.7457 -14.7457 -14.7419 -14.7419 -5.7716 -5.7716 -5.7714 -5.7714 -2.9447 -2.9447 -2.9007 -2.9007 -2.7610 -2.7610 -2.7545 -2.7545 -0.4592 -0.4592 -0.4581 -0.4581 -0.2101 -0.2101 0.0268 0.0268 0.9647 0.9647 0.9896 0.9896 1.0149 1.0149 1.4973 1.4973 1.4995 1.4995 1.8159 1.8159 2.1600 2.1600 2.1706 2.1706 8.4777 8.4777 11.7988 11.7988 11.8156 11.8156 12.2437 12.2437 12.2462 12.2462 k = 0.0135 0.0078-0.0000 ( 4153 PWs) bands (ev): -16.9517 -16.9517 -15.4286 -15.4285 -15.4279 -15.4278 -14.7938 -14.7935 -14.7458 -14.7458 -14.7420 -14.7419 -5.7719 -5.7717 -5.7703 -5.7702 -2.9456 -2.9446 -2.9007 -2.9006 -2.7615 -2.7606 -2.7542 -2.7540 -0.4610 -0.4594 -0.4582 -0.4580 -0.2100 -0.2097 0.0278 0.0291 0.9632 0.9642 0.9885 0.9886 1.0142 1.0152 1.4969 1.4970 1.4992 1.4993 1.8148 1.8152 2.1606 2.1607 2.1712 2.1713 8.4807 8.4807 11.7987 11.7988 11.8156 11.8157 12.2441 12.2442 12.2468 12.2471 k = 0.0270 0.0156-0.0000 ( 4153 PWs) bands (ev): -16.9501 -16.9501 -15.4305 -15.4303 -15.4277 -15.4275 -14.7944 -14.7939 -14.7461 -14.7460 -14.7423 -14.7421 -5.7727 -5.7724 -5.7665 -5.7664 -2.9473 -2.9452 -2.9006 -2.9003 -2.7631 -2.7620 -2.7523 -2.7511 -0.4655 -0.4626 -0.4570 -0.4569 -0.2095 -0.2089 0.0321 0.0348 0.9595 0.9612 0.9856 0.9862 1.0129 1.0149 1.4952 1.4960 1.4985 1.4989 1.8118 1.8127 2.1626 2.1627 2.1732 2.1733 8.4896 8.4896 11.7984 11.7988 11.8154 11.8160 12.2442 12.2452 12.2492 12.2506 k = 0.0405 0.0234-0.0000 ( 4145 PWs) bands (ev): -16.9473 -16.9473 -15.4335 -15.4333 -15.4274 -15.4269 -14.7954 -14.7946 -14.7467 -14.7464 -14.7428 -14.7424 -5.7741 -5.7736 -5.7602 -5.7600 -2.9496 -2.9466 -2.9004 -2.8999 -2.7670 -2.7661 -2.7474 -2.7452 -0.4724 -0.4684 -0.4551 -0.4548 -0.2085 -0.2076 0.0396 0.0435 0.9527 0.9546 0.9816 0.9835 1.0111 1.0144 1.4922 1.4939 1.4975 1.4987 1.8070 1.8084 2.1657 2.1660 2.1765 2.1766 8.5043 8.5043 11.7975 11.7989 11.8151 11.8168 12.2443 12.2461 12.2541 12.2565 k = 0.0541 0.0312-0.0000 ( 4133 PWs) bands (ev): -16.9435 -16.9435 -15.4378 -15.4375 -15.4268 -15.4262 -14.7966 -14.7956 -14.7475 -14.7470 -14.7435 -14.7428 -5.7760 -5.7754 -5.7514 -5.7511 -2.9524 -2.9485 -2.9002 -2.8994 -2.7731 -2.7722 -2.7398 -2.7367 -0.4813 -0.4763 -0.4523 -0.4519 -0.2071 -0.2059 0.0498 0.0548 0.9418 0.9434 0.9776 0.9814 1.0089 1.0137 1.4882 1.4907 1.4967 1.4985 1.8006 1.8025 2.1699 2.1705 2.1809 2.1812 8.5248 8.5248 11.7959 11.7988 11.8151 11.8183 12.2447 12.2472 12.2614 12.2646 k = 0.0676 0.0390-0.0000 ( 4121 PWs) bands (ev): -16.9387 -16.9387 -15.4433 -15.4429 -15.4261 -15.4254 -14.7982 -14.7969 -14.7487 -14.7477 -14.7444 -14.7433 -5.7784 -5.7776 -5.7402 -5.7398 -2.9555 -2.9509 -2.9001 -2.8990 -2.7809 -2.7800 -2.7300 -2.7262 -0.4919 -0.4860 -0.4488 -0.4483 -0.2052 -0.2037 0.0624 0.0683 0.9265 0.9277 0.9739 0.9798 1.0064 1.0128 1.4833 1.4864 1.4958 1.4982 1.7928 1.7951 2.1748 2.1760 2.1864 2.1871 8.5511 8.5511 11.7937 11.7983 11.8155 11.8207 12.2456 12.2488 12.2708 12.2747 k = 0.0811 0.0468-0.0000 ( 4127 PWs) bands (ev): -16.9327 -16.9327 -15.4501 -15.4496 -15.4252 -15.4243 -14.8000 -14.7986 -14.7501 -14.7486 -14.7453 -14.7438 -5.7812 -5.7803 -5.7266 -5.7261 -2.9587 -2.9536 -2.9001 -2.8988 -2.7905 -2.7895 -2.7182 -2.7139 -0.5038 -0.4971 -0.4444 -0.4438 -0.2029 -0.2011 0.0769 0.0836 0.9069 0.9079 0.9703 0.9784 1.0035 1.0116 1.4776 1.4813 1.4950 1.4978 1.7837 1.7864 2.1803 2.1822 2.1930 2.1941 8.5828 8.5828 11.7910 11.7973 11.8167 11.8237 12.2473 12.2511 12.2822 12.2868 k = 0.0946 0.0546-0.0000 ( 4139 PWs) bands (ev): -16.9257 -16.9257 -15.4580 -15.4574 -15.4241 -15.4232 -14.8020 -14.8004 -14.7517 -14.7497 -14.7464 -14.7444 -5.7846 -5.7835 -5.7106 -5.7101 -2.9620 -2.9564 -2.9005 -2.8988 -2.8014 -2.8002 -2.7046 -2.6998 -0.5165 -0.5092 -0.4393 -0.4385 -0.2003 -0.1982 0.0929 0.1003 0.8835 0.8843 0.9667 0.9769 1.0005 1.0103 1.4713 1.4756 1.4942 1.4975 1.7735 1.7767 2.1862 2.1888 2.2006 2.2022 8.6199 8.6199 11.7881 11.7957 11.8187 11.8274 12.2500 12.2543 12.2956 12.3008 k = 0.1081 0.0624-0.0000 ( 4141 PWs) bands (ev): -16.9177 -16.9177 -15.4672 -15.4665 -15.4229 -15.4218 -14.8042 -14.8025 -14.7536 -14.7511 -14.7475 -14.7450 -5.7883 -5.7871 -5.6923 -5.6918 -2.9653 -2.9593 -2.9014 -2.8994 -2.8134 -2.8120 -2.6893 -2.6842 -0.5299 -0.5220 -0.4334 -0.4325 -0.1974 -0.1950 0.1101 0.1180 0.8566 0.8574 0.9628 0.9750 0.9972 1.0089 1.4645 1.4693 1.4935 1.4972 1.7624 1.7660 2.1922 2.1955 2.2093 2.2113 8.6622 8.6623 11.7853 11.7939 11.8213 11.8314 12.2539 12.2587 12.3108 12.3165 k = 0.1216 0.0702-0.0000 ( 4149 PWs) bands (ev): -16.9087 -16.9086 -15.4776 -15.4769 -15.4215 -15.4203 -14.8066 -14.8047 -14.7556 -14.7528 -14.7485 -14.7458 -5.7924 -5.7911 -5.6719 -5.6713 -2.9684 -2.9622 -2.9034 -2.9010 -2.8261 -2.8244 -2.6724 -2.6672 -0.5435 -0.5352 -0.4268 -0.4257 -0.1942 -0.1916 0.1279 0.1363 0.8267 0.8274 0.9584 0.9725 0.9939 1.0072 1.4575 1.4627 1.4929 1.4969 1.7506 1.7547 2.1983 2.2022 2.2189 2.2213 8.7095 8.7096 11.7827 11.7921 11.8246 11.8358 12.2591 12.2643 12.3277 12.3339 k = 0.1351 0.0780-0.0000 ( 4147 PWs) bands (ev): -16.8986 -16.8986 -15.4892 -15.4885 -15.4200 -15.4187 -14.8091 -14.8071 -14.7578 -14.7546 -14.7497 -14.7467 -5.7968 -5.7954 -5.6493 -5.6487 -2.9714 -2.9649 -2.9070 -2.9043 -2.8387 -2.8367 -2.6542 -2.6489 -0.5570 -0.5484 -0.4194 -0.4182 -0.1909 -0.1880 0.1462 0.1550 0.7939 0.7945 0.9536 0.9691 0.9907 1.0053 1.4503 1.4559 1.4923 1.4968 1.7384 1.7429 2.2042 2.2087 2.2293 2.2319 8.7616 8.7616 11.7807 11.7906 11.8284 11.8404 12.2658 12.2713 12.3463 12.3529 k = 0.1486 0.0858-0.0000 ( 4161 PWs) bands (ev): -16.8875 -16.8875 -15.5020 -15.5013 -15.4183 -15.4170 -14.8116 -14.8096 -14.7601 -14.7567 -14.7508 -14.7477 -5.8016 -5.8001 -5.6248 -5.6240 -2.9742 -2.9674 -2.9132 -2.9103 -2.8500 -2.8477 -2.6347 -2.6293 -0.5704 -0.5615 -0.4113 -0.4099 -0.1876 -0.1843 0.1648 0.1738 0.7586 0.7592 0.9482 0.9649 0.9875 1.0031 1.4430 1.4489 1.4919 1.4967 1.7260 1.7308 2.2099 2.2148 2.2403 2.2431 8.8181 8.8182 11.7794 11.7897 11.8325 11.8452 12.2739 12.2798 12.3664 12.3734 k = 0.1622 0.0936-0.0000 ( 4167 PWs) bands (ev): -16.8755 -16.8754 -15.5161 -15.5152 -15.4166 -15.4151 -14.8142 -14.8122 -14.7625 -14.7589 -14.7520 -14.7487 -5.8067 -5.8051 -5.5983 -5.5975 -2.9767 -2.9698 -2.9230 -2.9202 -2.8588 -2.8566 -2.6141 -2.6087 -0.5834 -0.5743 -0.4026 -0.4010 -0.1842 -0.1807 0.1833 0.1926 0.7211 0.7216 0.9421 0.9596 0.9843 1.0006 1.4359 1.4421 1.4916 1.4966 1.7135 1.7187 2.2152 2.2206 2.2518 2.2547 8.8790 8.8790 11.7790 11.7894 11.8369 11.8501 12.2836 12.2896 12.3880 12.3954 k = 0.1757 0.1014-0.0000 ( 4167 PWs) bands (ev): -16.8625 -16.8625 -15.5313 -15.5304 -15.4147 -15.4131 -14.8168 -14.8148 -14.7650 -14.7612 -14.7533 -14.7499 -5.8120 -5.8103 -5.5701 -5.5693 -2.9791 -2.9720 -2.9367 -2.9342 -2.8648 -2.8628 -2.5924 -2.5870 -0.5958 -0.5865 -0.3933 -0.3915 -0.1810 -0.1771 0.2016 0.2111 0.6818 0.6823 0.9354 0.9533 0.9811 0.9976 1.4290 1.4354 1.4912 1.4965 1.7014 1.7068 2.2201 2.2258 2.2636 2.2665 8.9438 8.9439 11.7796 11.7901 11.8416 11.8550 12.2947 12.3008 12.4111 12.4187 k = 0.1892 0.1092-0.0000 ( 4175 PWs) bands (ev): -16.8486 -16.8485 -15.5476 -15.5467 -15.4127 -15.4110 -14.8194 -14.8173 -14.7675 -14.7636 -14.7547 -14.7512 -5.8175 -5.8157 -5.5402 -5.5394 -2.9817 -2.9741 -2.9534 -2.9514 -2.8686 -2.8668 -2.5698 -2.5645 -0.6075 -0.5982 -0.3834 -0.3814 -0.1779 -0.1738 0.2195 0.2291 0.6410 0.6414 0.9281 0.9461 0.9776 0.9942 1.4224 1.4289 1.4909 1.4963 1.6897 1.6953 2.2245 2.2306 2.2756 2.2785 9.0124 9.0125 11.7815 11.7919 11.8465 11.8600 12.3070 12.3132 12.4354 12.4433 k = 0.2027 0.1170-0.0000 ( 4181 PWs) bands (ev): -16.8338 -16.8337 -15.5650 -15.5642 -15.4106 -15.4089 -14.8219 -14.8199 -14.7701 -14.7661 -14.7561 -14.7526 -5.8231 -5.8214 -5.5089 -5.5080 -2.9860 -2.9782 -2.9710 -2.9685 -2.8711 -2.8694 -2.5463 -2.5412 -0.6185 -0.6090 -0.3731 -0.3709 -0.1751 -0.1706 0.2369 0.2465 0.5992 0.5995 0.9201 0.9381 0.9738 0.9901 1.4162 1.4228 1.4903 1.4960 1.6789 1.6846 2.2284 2.2347 2.2877 2.2906 9.0844 9.0845 11.7846 11.7947 11.8515 11.8650 12.3204 12.3266 12.4611 12.4692 k = 0.2162 0.1248-0.0000 ( 4172 PWs) bands (ev): -16.8181 -16.8181 -15.5835 -15.5826 -15.4084 -15.4067 -14.8243 -14.8223 -14.7727 -14.7686 -14.7575 -14.7541 -5.8289 -5.8271 -5.4762 -5.4752 -2.9999 -2.9960 -2.9794 -2.9747 -2.8729 -2.8711 -2.5222 -2.5172 -0.6285 -0.6190 -0.3625 -0.3600 -0.1725 -0.1677 0.2535 0.2631 0.5568 0.5571 0.9115 0.9292 0.9695 0.9854 1.4104 1.4170 1.4895 1.4952 1.6693 1.6750 2.2317 2.2382 2.2997 2.3026 9.1596 9.1598 11.7889 11.7986 11.8567 11.8700 12.3346 12.3408 12.4880 12.4963 k = 0.2297 0.1326-0.0000 ( 4176 PWs) bands (ev): -16.8016 -16.8016 -15.6030 -15.6021 -15.4062 -15.4044 -14.8267 -14.8247 -14.7753 -14.7712 -14.7590 -14.7556 -5.8348 -5.8329 -5.4423 -5.4413 -3.0214 -3.0190 -2.9817 -2.9761 -2.8743 -2.8725 -2.4976 -2.4928 -0.6375 -0.6280 -0.3516 -0.3489 -0.1703 -0.1652 0.2691 0.2786 0.5144 0.5147 0.9022 0.9195 0.9646 0.9799 1.4052 1.4118 1.4882 1.4939 1.6611 1.6666 2.2343 2.2410 2.3117 2.3145 9.2377 9.2379 11.7944 11.8033 11.8622 11.8751 12.3492 12.3554 12.5162 12.5246 k = 0.2432 0.1404-0.0000 ( 4176 PWs) bands (ev): -16.7844 -16.7843 -15.6234 -15.6226 -15.4039 -15.4021 -14.8289 -14.8270 -14.7779 -14.7738 -14.7605 -14.7572 -5.8406 -5.8388 -5.4075 -5.4065 -3.0452 -3.0433 -2.9827 -2.9768 -2.8756 -2.8737 -2.4725 -2.4679 -0.6456 -0.6360 -0.3408 -0.3378 -0.1685 -0.1630 0.2832 0.2925 0.4729 0.4733 0.8923 0.9091 0.9590 0.9736 1.4004 1.4070 1.4863 1.4919 1.6545 1.6598 2.2363 2.2431 2.3235 2.3261 9.3184 9.3187 11.8007 11.8087 11.8680 11.8803 12.3639 12.3701 12.5456 12.5541 k = 0.2568 0.1482-0.0000 ( 4176 PWs) bands (ev): -16.7664 -16.7663 -15.6447 -15.6438 -15.4016 -15.3997 -14.8310 -14.8292 -14.7805 -14.7764 -14.7621 -14.7588 -5.8465 -5.8447 -5.3718 -5.3708 -3.0700 -3.0684 -2.9830 -2.9771 -2.8770 -2.8750 -2.4472 -2.4427 -0.6525 -0.6430 -0.3303 -0.3269 -0.1670 -0.1612 0.2946 0.3034 0.4338 0.4344 0.8819 0.8979 0.9527 0.9664 1.3963 1.4026 1.4838 1.4892 1.6498 1.6548 2.2377 2.2446 2.3350 2.3376 9.4015 9.4017 11.8073 11.8142 11.8744 11.8861 12.3783 12.3845 12.5762 12.5847 k = 0.2703 0.1560-0.0000 ( 4172 PWs) bands (ev): -16.7477 -16.7476 -15.6668 -15.6659 -15.3992 -15.3974 -14.8329 -14.8312 -14.7830 -14.7790 -14.7637 -14.7605 -5.8523 -5.8505 -5.3356 -5.3346 -3.0954 -3.0941 -2.9830 -2.9770 -2.8785 -2.8763 -2.4218 -2.4175 -0.6582 -0.6488 -0.3203 -0.3165 -0.1658 -0.1598 0.3004 0.3082 0.4006 0.4020 0.8708 0.8861 0.9456 0.9583 1.3926 1.3988 1.4807 1.4857 1.6470 1.6515 2.2384 2.2454 2.3461 2.3486 9.4865 9.4868 11.8134 11.8191 11.8818 11.8928 12.3918 12.3980 12.6079 12.6163 k = 0.2838 0.1638-0.0000 ( 4172 PWs) bands (ev): -16.7284 -16.7284 -15.6895 -15.6887 -15.3969 -15.3951 -14.8347 -14.8331 -14.7855 -14.7815 -14.7652 -14.7621 -5.8580 -5.8562 -5.2990 -5.2980 -3.1213 -3.1201 -2.9825 -2.9765 -2.8801 -2.8779 -2.3964 -2.3923 -0.6628 -0.6534 -0.3112 -0.3069 -0.1650 -0.1588 0.2942 0.2998 0.3801 0.3835 0.8593 0.8735 0.9379 0.9494 1.3895 1.3955 1.4770 1.4817 1.6460 1.6499 2.2386 2.2456 2.3569 2.3593 9.5732 9.5736 11.8176 11.8226 11.8908 11.9013 12.4041 12.4101 12.6408 12.6490 k = 0.2973 0.1716-0.0000 ( 4164 PWs) bands (ev): -16.7086 -16.7086 -15.7128 -15.7120 -15.3946 -15.3928 -14.8364 -14.8348 -14.7879 -14.7840 -14.7668 -14.7638 -5.8636 -5.8619 -5.2623 -5.2612 -3.1473 -3.1463 -2.9817 -2.9758 -2.8820 -2.8796 -2.3712 -2.3674 -0.6661 -0.6567 -0.3034 -0.2987 -0.1644 -0.1582 0.2732 0.2767 0.3757 0.3809 0.8473 0.8604 0.9295 0.9396 1.3870 1.3927 1.4729 1.4773 1.6465 1.6499 2.2382 2.2451 2.3673 2.3695 9.6614 9.6618 11.8187 11.8240 11.9019 11.9123 12.4144 12.4203 12.6747 12.6826 k = 0.3108 0.1794-0.0000 ( 4160 PWs) bands (ev): -16.6884 -16.6883 -15.7365 -15.7358 -15.3923 -15.3905 -14.8379 -14.8364 -14.7902 -14.7864 -14.7683 -14.7654 -5.8690 -5.8673 -5.2256 -5.2246 -3.1734 -3.1725 -2.9805 -2.9747 -2.8841 -2.8816 -2.3464 -2.3428 -0.6681 -0.6589 -0.2974 -0.2922 -0.1642 -0.1582 0.2452 0.2478 0.3804 0.3861 0.8350 0.8468 0.9204 0.9292 1.3849 1.3903 1.4687 1.4726 1.6484 1.6513 2.2373 2.2442 2.3772 2.3793 9.7506 9.7510 11.8161 11.8222 11.9153 11.9258 12.4222 12.4279 12.7096 12.7171 k = 0.3243 0.1872-0.0000 ( 4164 PWs) bands (ev): -16.6678 -16.6677 -15.7606 -15.7599 -15.3900 -15.3883 -14.8393 -14.8379 -14.7924 -14.7888 -14.7698 -14.7671 -5.8741 -5.8726 -5.1894 -5.1884 -3.1992 -3.1984 -2.9790 -2.9733 -2.8864 -2.8838 -2.3221 -2.3188 -0.6688 -0.6597 -0.2937 -0.2880 -0.1643 -0.1589 0.2169 0.2191 0.3879 0.3935 0.8225 0.8328 0.9109 0.9181 1.3832 1.3883 1.4645 1.4681 1.6514 1.6538 2.2360 2.2427 2.3865 2.3885 9.8405 9.8410 11.8096 11.8164 11.9312 11.9417 12.4269 12.4324 12.7453 12.7523 k = 0.3378 0.1951-0.0000 ( 4172 PWs) bands (ev): -16.6469 -16.6468 -15.7848 -15.7841 -15.3879 -15.3862 -14.8405 -14.8392 -14.7945 -14.7910 -14.7712 -14.7687 -5.8791 -5.8776 -5.1538 -5.1528 -3.2247 -3.2239 -2.9772 -2.9716 -2.8890 -2.8863 -2.2987 -2.2956 -0.6682 -0.6592 -0.2927 -0.2864 -0.1650 -0.1605 0.1916 0.1938 0.3958 0.4010 0.8099 0.8187 0.9009 0.9065 1.3819 1.3867 1.4606 1.4638 1.6550 1.6571 2.2343 2.2408 2.3953 2.3971 9.9307 9.9312 11.7990 11.8062 11.9491 11.9597 12.4282 12.4333 12.7817 12.7880 k = 0.3514 0.2029-0.0000 ( 4168 PWs) bands (ev): -16.6260 -16.6259 -15.8090 -15.8084 -15.3858 -15.3842 -14.8416 -14.8404 -14.7965 -14.7932 -14.7726 -14.7702 -5.8838 -5.8823 -5.1192 -5.1182 -3.2495 -3.2488 -2.9751 -2.9696 -2.8919 -2.8891 -2.2761 -2.2733 -0.6663 -0.6574 -0.2949 -0.2880 -0.1664 -0.1632 0.1709 0.1733 0.4031 0.4076 0.7976 0.8046 0.8907 0.8948 1.3809 1.3854 1.4571 1.4599 1.6592 1.6609 2.2324 2.2386 2.4035 2.4052 10.0208 10.0215 11.7842 11.7914 11.9689 11.9793 12.4256 12.4304 12.8185 12.8239 k = 0.3649 0.2107-0.0000 ( 4170 PWs) bands (ev): -16.6051 -16.6050 -15.8330 -15.8324 -15.3838 -15.3824 -14.8426 -14.8415 -14.7984 -14.7953 -14.7738 -14.7716 -5.8881 -5.8868 -5.0859 -5.0850 -3.2734 -3.2729 -2.9727 -2.9673 -2.8949 -2.8920 -2.2547 -2.2522 -0.6630 -0.6543 -0.3006 -0.2930 -0.1686 -0.1669 0.1557 0.1585 0.4092 0.4129 0.7856 0.7910 0.8804 0.8829 1.3803 1.3843 1.4540 1.4565 1.6636 1.6651 2.2302 2.2362 2.4111 2.4126 10.1105 10.1111 11.7648 11.7718 11.9901 12.0003 12.4192 12.4237 12.8552 12.8597 k = 0.3784 0.2185-0.0000 ( 4182 PWs) bands (ev): -16.5844 -16.5843 -15.8566 -15.8560 -15.3820 -15.3806 -14.8434 -14.8424 -14.8001 -14.7972 -14.7750 -14.7730 -5.8921 -5.8909 -5.0542 -5.0533 -3.2963 -3.2958 -2.9700 -2.9648 -2.8982 -2.8952 -2.2346 -2.2323 -0.6584 -0.6498 -0.3098 -0.3016 -0.1718 -0.1714 0.1463 0.1496 0.4137 0.4165 0.7743 0.7780 0.8700 0.8712 1.3799 1.3835 1.4514 1.4536 1.6680 1.6693 2.2280 2.2336 2.4180 2.4194 10.1990 10.1997 11.7408 11.7476 12.0125 12.0223 12.4092 12.4133 12.8912 12.8948 k = 0.3919 0.2263-0.0000 ( 4180 PWs) bands (ev): -16.5643 -16.5642 -15.8795 -15.8789 -15.3802 -15.3790 -14.8441 -14.8433 -14.8016 -14.7990 -14.7761 -14.7743 -5.8958 -5.8947 -5.0245 -5.0237 -3.3178 -3.3174 -2.9671 -2.9621 -2.9017 -2.8986 -2.2160 -2.2140 -0.6525 -0.6442 -0.3222 -0.3136 -0.1763 -0.1755 0.1425 0.1462 0.4164 0.4182 0.7641 0.7661 0.8595 0.8602 1.3797 1.3830 1.4494 1.4513 1.6724 1.6735 2.2257 2.2309 2.4242 2.4255 10.2858 10.2866 11.7125 11.7187 12.0357 12.0451 12.3959 12.3998 12.9260 12.9286 k = 0.4054 0.2341-0.0000 ( 4174 PWs) bands (ev): -16.5449 -16.5448 -15.9013 -15.9008 -15.3787 -15.3776 -14.8447 -14.8440 -14.8029 -14.8006 -14.7770 -14.7754 -5.8991 -5.8981 -4.9971 -4.9964 -3.3377 -3.3373 -2.9640 -2.9591 -2.9053 -2.9021 -2.1991 -2.1974 -0.6455 -0.6374 -0.3372 -0.3285 -0.1811 -0.1795 0.1436 0.1476 0.4170 0.4179 0.7549 0.7558 0.8487 0.8503 1.3797 1.3825 1.4479 1.4495 1.6764 1.6774 2.2235 2.2282 2.4298 2.4309 10.3700 10.3709 11.6800 11.6858 12.0595 12.0685 12.3799 12.3837 12.9580 12.9605 k = 0.4189 0.2419-0.0000 ( 4164 PWs) bands (ev): -16.5267 -16.5266 -15.9217 -15.9213 -15.3773 -15.3763 -14.8452 -14.8446 -14.8041 -14.8021 -14.7779 -14.7765 -5.9019 -5.9011 -4.9725 -4.9718 -3.3556 -3.3553 -2.9607 -2.9559 -2.9090 -2.9058 -2.1841 -2.1826 -0.6373 -0.6296 -0.3540 -0.3455 -0.1854 -0.1834 0.1484 0.1526 0.4156 0.4156 0.7466 0.7478 0.8387 0.8410 1.3798 1.3822 1.4468 1.4482 1.6802 1.6810 2.2215 2.2256 2.4347 2.4356 10.4507 10.4517 11.6443 11.6494 12.0837 12.0923 12.3618 12.3656 12.9854 12.9897 k = 0.4324 0.2497-0.0000 ( 4168 PWs) bands (ev): -16.5100 -16.5099 -15.9403 -15.9399 -15.3760 -15.3752 -14.8456 -14.8451 -14.8051 -14.8034 -14.7786 -14.7774 -5.9044 -5.9037 -4.9508 -4.9503 -3.3714 -3.3712 -2.9572 -2.9527 -2.9129 -2.9096 -2.1710 -2.1698 -0.6284 -0.6212 -0.3716 -0.3636 -0.1891 -0.1870 0.1559 0.1600 0.4116 0.4124 0.7397 0.7417 0.8296 0.8325 1.3799 1.3820 1.4460 1.4472 1.6834 1.6842 2.2197 2.2232 2.4389 2.4396 10.5264 10.5274 11.6066 11.6110 12.1082 12.1163 12.3422 12.3461 13.0058 13.0126 k = 0.4459 0.2575-0.0000 ( 4166 PWs) bands (ev): -16.4952 -16.4952 -15.9566 -15.9563 -15.3750 -15.3743 -14.8459 -14.8455 -14.8059 -14.8045 -14.7791 -14.7782 -5.9064 -5.9058 -4.9326 -4.9321 -3.3848 -3.3846 -2.9536 -2.9493 -2.9167 -2.9134 -2.1601 -2.1591 -0.6190 -0.6124 -0.3889 -0.3817 -0.1921 -0.1902 0.1648 0.1686 0.4065 0.4077 0.7347 0.7372 0.8218 0.8248 1.3801 1.3818 1.4456 1.4466 1.6862 1.6868 2.2182 2.2211 2.4423 2.4429 10.5954 10.5963 11.5687 11.5724 12.1327 12.1403 12.3214 12.3255 13.0169 13.0216 k = 0.4595 0.2653-0.0000 ( 4166 PWs) bands (ev): -16.4830 -16.4829 -15.9700 -15.9698 -15.3742 -15.3737 -14.8462 -14.8459 -14.8064 -14.8054 -14.7795 -14.7788 -5.9080 -5.9075 -4.9180 -4.9176 -3.3955 -3.3953 -2.9500 -2.9461 -2.9203 -2.9172 -2.1515 -2.1507 -0.6097 -0.6041 -0.4045 -0.3984 -0.1943 -0.1928 0.1738 0.1770 0.4011 0.4024 0.7314 0.7339 0.8154 0.8182 1.3804 1.3816 1.4454 1.4461 1.6884 1.6889 2.2171 2.2193 2.4450 2.4455 10.6549 10.6558 11.5333 11.5362 12.1571 12.1642 12.2998 12.3042 13.0216 13.0241 k = 0.4730 0.2731-0.0000 ( 4156 PWs) bands (ev): -16.4738 -16.4737 -15.9801 -15.9799 -15.3735 -15.3732 -14.8463 -14.8461 -14.8068 -14.8061 -14.7798 -14.7793 -5.9091 -5.9088 -4.9074 -4.9071 -3.4033 -3.4032 -2.9465 -2.9432 -2.9236 -2.9207 -2.1452 -2.1447 -0.6013 -0.5971 -0.4169 -0.4124 -0.1958 -0.1947 0.1817 0.1841 0.3962 0.3974 0.7296 0.7316 0.8109 0.8130 1.3806 1.3814 1.4453 1.4458 1.6901 1.6904 2.2164 2.2178 2.4469 2.4473 10.7018 10.7025 11.5037 11.5058 12.1812 12.1877 12.2778 12.2824 13.0238 13.0253 k = 0.4865 0.2809-0.0000 ( 4158 PWs) bands (ev): -16.4681 -16.4680 -15.9863 -15.9863 -15.3731 -15.3729 -14.8464 -14.8463 -14.8069 -14.8066 -14.7799 -14.7797 -5.9097 -5.9096 -4.9009 -4.9008 -3.4080 -3.4080 -2.9434 -2.9413 -2.9257 -2.9239 -2.1414 -2.1411 -0.5950 -0.5927 -0.4248 -0.4223 -0.1966 -0.1960 0.1874 0.1887 0.3929 0.3936 0.7290 0.7301 0.8083 0.8095 1.3808 1.3813 1.4454 1.4456 1.6911 1.6912 2.2161 2.2168 2.4481 2.4483 10.7323 10.7327 11.4839 11.4850 12.2045 12.2102 12.2560 12.2607 13.0251 13.0259 k = 0.5000 0.2887-0.0000 ( 4152 PWs) bands (ev): -16.4661 -16.4661 -15.9884 -15.9884 -15.3729 -15.3729 -14.8464 -14.8464 -14.8068 -14.8068 -14.7799 -14.7799 -5.9099 -5.9099 -4.8987 -4.8987 -3.4096 -3.4096 -2.9413 -2.9413 -2.9258 -2.9258 -2.1400 -2.1400 -0.5919 -0.5919 -0.4267 -0.4267 -0.1967 -0.1967 0.1898 0.1898 0.3920 0.3920 0.7292 0.7292 0.8079 0.8079 1.3811 1.3811 1.4455 1.4455 1.6915 1.6915 2.2162 2.2162 2.4486 2.4486 10.7431 10.7431 11.4772 11.4772 12.2227 12.2227 12.2434 12.2434 13.0258 13.0258 k = 0.5000 0.2887-0.0000 ( 4152 PWs) bands (ev): -16.4661 -16.4661 -15.9884 -15.9884 -15.3729 -15.3729 -14.8464 -14.8464 -14.8068 -14.8068 -14.7799 -14.7799 -5.9099 -5.9099 -4.8987 -4.8987 -3.4096 -3.4096 -2.9413 -2.9413 -2.9258 -2.9258 -2.1400 -2.1400 -0.5919 -0.5919 -0.4267 -0.4267 -0.1967 -0.1967 0.1898 0.1898 0.3920 0.3920 0.7292 0.7292 0.8079 0.8079 1.3811 1.3811 1.4455 1.4455 1.6915 1.6915 2.2162 2.2162 2.4486 2.4486 10.7431 10.7431 11.4772 11.4772 12.2227 12.2227 12.2434 12.2434 13.0258 13.0258 k = 0.4924 0.3018-0.0000 ( 4166 PWs) bands (ev): -16.4656 -16.4655 -15.9889 -15.9889 -15.3732 -15.3730 -14.8464 -14.8463 -14.8069 -14.8068 -14.7799 -14.7799 -5.9103 -5.9101 -4.8970 -4.8968 -3.4133 -3.4131 -2.9394 -2.9393 -2.9256 -2.9255 -2.1397 -2.1397 -0.5917 -0.5912 -0.4268 -0.4263 -0.1983 -0.1976 0.1903 0.1912 0.3920 0.3922 0.7296 0.7303 0.8070 0.8070 1.3788 1.3789 1.4448 1.4450 1.6936 1.6937 2.2155 2.2161 2.4485 2.4492 10.7447 10.7449 11.4777 11.4779 12.2217 12.2219 12.2451 12.2452 13.0260 13.0261 k = 0.4848 0.3149-0.0000 ( 4166 PWs) bands (ev): -16.4640 -16.4639 -15.9904 -15.9902 -15.3738 -15.3735 -14.8464 -14.8463 -14.8068 -14.8067 -14.7800 -14.7799 -5.9114 -5.9111 -4.8918 -4.8913 -3.4240 -3.4236 -2.9339 -2.9336 -2.9248 -2.9245 -2.1389 -2.1388 -0.5905 -0.5894 -0.4267 -0.4257 -0.2025 -0.2012 0.1928 0.1945 0.3925 0.3928 0.7315 0.7330 0.8043 0.8044 1.3723 1.3724 1.4429 1.4433 1.7000 1.7000 2.2139 2.2152 2.4488 2.4501 10.7496 10.7502 11.4795 11.4798 12.2191 12.2194 12.2502 12.2505 13.0269 13.0270 k = 0.4773 0.3280-0.0000 ( 4176 PWs) bands (ev): -16.4613 -16.4612 -15.9927 -15.9924 -15.3748 -15.3744 -14.8463 -14.8462 -14.8068 -14.8066 -14.7802 -14.7800 -5.9133 -5.9128 -4.8831 -4.8823 -3.4411 -3.4405 -2.9263 -2.9259 -2.9222 -2.9219 -2.1375 -2.1373 -0.5883 -0.5867 -0.4264 -0.4249 -0.2090 -0.2072 0.1971 0.1996 0.3932 0.3937 0.7349 0.7370 0.7999 0.8001 1.3620 1.3622 1.4399 1.4405 1.7099 1.7100 2.2116 2.2135 2.4495 2.4515 10.7579 10.7587 11.4824 11.4829 12.2146 12.2150 12.2588 12.2592 13.0283 13.0284 k = 0.4697 0.3412-0.0000 ( 4176 PWs) bands (ev): -16.4576 -16.4575 -15.9960 -15.9956 -15.3761 -15.3755 -14.8462 -14.8461 -14.8067 -14.8065 -14.7804 -14.7801 -5.9157 -5.9151 -4.8709 -4.8699 -3.4638 -3.4630 -2.9228 -2.9222 -2.9128 -2.9125 -2.1354 -2.1351 -0.5852 -0.5830 -0.4259 -0.4240 -0.2177 -0.2153 0.2031 0.2062 0.3943 0.3949 0.7396 0.7424 0.7938 0.7940 1.3489 1.3491 1.4358 1.4366 1.7228 1.7230 2.2086 2.2109 2.4506 2.4531 10.7696 10.7707 11.4865 11.4872 12.2083 12.2088 12.2709 12.2715 13.0303 13.0305 k = 0.4621 0.3543-0.0000 ( 4174 PWs) bands (ev): -16.4528 -16.4526 -16.0002 -15.9997 -15.3777 -15.3770 -14.8461 -14.8459 -14.8065 -14.8063 -14.7806 -14.7803 -5.9186 -5.9179 -4.8554 -4.8542 -3.4911 -3.4901 -2.9204 -2.9197 -2.9004 -2.9000 -2.1327 -2.1324 -0.5812 -0.5785 -0.4253 -0.4229 -0.2280 -0.2253 0.2106 0.2141 0.3957 0.3965 0.7454 0.7489 0.7861 0.7863 1.3336 1.3338 1.4306 1.4315 1.7380 1.7382 2.2048 2.2076 2.4520 2.4551 10.7845 10.7858 11.4917 11.4925 12.2001 12.2007 12.2865 12.2873 13.0329 13.0330 k = 0.4545 0.3674-0.0000 ( 4174 PWs) bands (ev): -16.4469 -16.4468 -16.0053 -16.0048 -15.3795 -15.3787 -14.8460 -14.8457 -14.8064 -14.8061 -14.7809 -14.7805 -5.9220 -5.9212 -4.8367 -4.8352 -3.5222 -3.5211 -2.9177 -2.9168 -2.8872 -2.8867 -2.1294 -2.1290 -0.5764 -0.5732 -0.4245 -0.4217 -0.2398 -0.2368 0.2194 0.2233 0.3975 0.3984 0.7523 0.7562 0.7768 0.7771 1.3168 1.3171 1.4244 1.4255 1.7549 1.7551 2.2004 2.2035 2.4538 2.4572 10.8026 10.8042 11.4979 11.4988 12.1899 12.1905 12.3056 12.3066 13.0359 13.0361 k = 0.4470 0.3805-0.0000 ( 4182 PWs) bands (ev): -16.4400 -16.4398 -16.0115 -16.0109 -15.3815 -15.3807 -14.8458 -14.8456 -14.8061 -14.8058 -14.7812 -14.7808 -5.9257 -5.9248 -4.8149 -4.8132 -3.5565 -3.5553 -2.9146 -2.9136 -2.8741 -2.8735 -2.1255 -2.1250 -0.5708 -0.5671 -0.4237 -0.4204 -0.2527 -0.2495 0.2294 0.2335 0.3996 0.4006 0.7594 0.7635 0.7668 0.7669 1.2992 1.2995 1.4172 1.4184 1.7729 1.7731 2.1953 2.1987 2.4558 2.4596 10.8238 10.8257 11.5050 11.5061 12.1776 12.1783 12.3280 12.3292 13.0394 13.0396 k = 0.4394 0.3936-0.0000 ( 4182 PWs) bands (ev): -16.4321 -16.4319 -16.0186 -16.0180 -15.3837 -15.3828 -14.8456 -14.8454 -14.8059 -14.8055 -14.7816 -14.7812 -5.9297 -5.9287 -4.7902 -4.7884 -3.5933 -3.5920 -2.9110 -2.9099 -2.8615 -2.8609 -2.1209 -2.1204 -0.5646 -0.5603 -0.4229 -0.4192 -0.2664 -0.2631 0.2405 0.2446 0.4021 0.4031 0.7537 0.7538 0.7684 0.7728 1.2815 1.2817 1.4091 1.4105 1.7918 1.7920 2.1896 2.1931 2.4581 2.4620 10.8481 10.8501 11.5128 11.5141 12.1632 12.1641 12.3539 12.3551 13.0433 13.0435 k = 0.4318 0.4068-0.0000 ( 4176 PWs) bands (ev): -16.4232 -16.4229 -16.0267 -16.0260 -15.3859 -15.3850 -14.8455 -14.8452 -14.8055 -14.8052 -14.7821 -14.7817 -5.9339 -5.9329 -4.7627 -4.7607 -3.6323 -3.6309 -2.9070 -2.9057 -2.8499 -2.8493 -2.1157 -2.1152 -0.5578 -0.5530 -0.4222 -0.4180 -0.2805 -0.2771 0.2525 0.2565 0.4049 0.4060 0.7405 0.7406 0.7762 0.7810 1.2641 1.2643 1.4001 1.4017 1.8111 1.8113 2.1833 2.1869 2.4604 2.4645 10.8752 10.8774 11.5213 11.5228 12.1467 12.1476 12.3830 12.3843 13.0476 13.0477 k = 0.4242 0.4199-0.0000 ( 4180 PWs) bands (ev): -16.4132 -16.4129 -16.0359 -16.0351 -15.3882 -15.3872 -14.8453 -14.8450 -14.8052 -14.8048 -14.7827 -14.7822 -5.9381 -5.9371 -4.7326 -4.7305 -3.6730 -3.6715 -2.9026 -2.9012 -2.8397 -2.8390 -2.1101 -2.1095 -0.5505 -0.5452 -0.4216 -0.4171 -0.2948 -0.2914 0.2653 0.2692 0.4080 0.4091 0.7261 0.7263 0.7839 0.7888 1.2476 1.2477 1.3903 1.3921 1.8306 1.8309 2.1765 2.1800 2.4629 2.4669 10.9051 10.9075 11.5301 11.5318 12.1280 12.1290 12.4152 12.4167 13.0519 13.0519 k = 0.4167 0.4330-0.0000 ( 4184 PWs) bands (ev): -16.4022 -16.4019 -16.0461 -16.0453 -15.3905 -15.3895 -14.8451 -14.8448 -14.8047 -14.8043 -14.7833 -14.7828 -5.9422 -5.9412 -4.7001 -4.6979 -3.7152 -3.7136 -2.8978 -2.8964 -2.8309 -2.8302 -2.1040 -2.1034 -0.5429 -0.5371 -0.4213 -0.4163 -0.3089 -0.3056 0.2789 0.2825 0.4115 0.4125 0.7109 0.7110 0.7908 0.7958 1.2325 1.2326 1.3799 1.3818 1.8503 1.8505 2.1690 2.1725 2.4654 2.4693 10.9376 10.9402 11.5390 11.5409 12.1072 12.1083 12.4506 12.4522 13.0558 13.0561 k = 0.4091 0.4461-0.0000 ( 4188 PWs) bands (ev): -16.3903 -16.3900 -16.0573 -16.0565 -15.3927 -15.3917 -14.8449 -14.8446 -14.8042 -14.8038 -14.7840 -14.7836 -5.9463 -5.9453 -4.6653 -4.6631 -3.7586 -3.7570 -2.8927 -2.8912 -2.8238 -2.8230 -2.0975 -2.0970 -0.5349 -0.5287 -0.4212 -0.4159 -0.3227 -0.3195 0.2932 0.2964 0.4151 0.4162 0.6950 0.6950 0.7965 0.8013 1.2191 1.2195 1.3688 1.3709 1.8699 1.8701 2.1610 2.1643 2.4678 2.4716 10.9726 10.9753 11.5476 11.5497 12.0844 12.0856 12.4889 12.4905 13.0577 13.0584 k = 0.4015 0.4593-0.0000 ( 4188 PWs) bands (ev): -16.3774 -16.3771 -16.0695 -16.0687 -15.3948 -15.3938 -14.8447 -14.8444 -14.8036 -14.8032 -14.7848 -14.7844 -5.9502 -5.9493 -4.6285 -4.6262 -3.8031 -3.8014 -2.8873 -2.8857 -2.8184 -2.8174 -2.0909 -2.0904 -0.5268 -0.5201 -0.4215 -0.4159 -0.3359 -0.3328 0.3081 0.3109 0.4190 0.4200 0.6786 0.6787 0.8005 0.8051 1.2082 1.2089 1.3571 1.3594 1.8893 1.8895 2.1525 2.1555 2.4702 2.4738 11.0100 11.0128 11.5555 11.5578 12.0598 12.0611 12.5300 12.5315 13.0559 13.0564 k = 0.3939 0.4724-0.0000 ( 4184 PWs) bands (ev): -16.3636 -16.3632 -16.0827 -16.0819 -15.3967 -15.3957 -14.8445 -14.8442 -14.8030 -14.8026 -14.7856 -14.7853 -5.9538 -5.9530 -4.5897 -4.5874 -3.8484 -3.8466 -2.8817 -2.8799 -2.8145 -2.8135 -2.0842 -2.0837 -0.5186 -0.5114 -0.4223 -0.4164 -0.3484 -0.3454 0.3235 0.3259 0.4230 0.4239 0.6621 0.6623 0.8025 0.8068 1.2001 1.2011 1.3450 1.3475 1.9084 1.9086 2.1433 2.1460 2.4725 2.4758 11.0494 11.0523 11.5619 11.5644 12.0339 12.0353 12.5734 12.5750 13.0520 13.0522 k = 0.3864 0.4855-0.0000 ( 4192 PWs) bands (ev): -16.3489 -16.3484 -16.0970 -16.0962 -15.3984 -15.3975 -14.8444 -14.8441 -14.8023 -14.8019 -14.7866 -14.7863 -5.9572 -5.9564 -4.5491 -4.5468 -3.8944 -3.8926 -2.8758 -2.8739 -2.8123 -2.8112 -2.0777 -2.0772 -0.5104 -0.5028 -0.4237 -0.4175 -0.3598 -0.3570 0.3393 0.3412 0.4270 0.4277 0.6457 0.6460 0.8023 0.8062 1.1951 1.1965 1.3325 1.3352 1.9272 1.9274 2.1335 2.1359 2.4747 2.4776 11.0909 11.0939 11.5659 11.5687 12.0073 12.0088 12.6190 12.6204 13.0469 13.0470 k = 0.3788 0.4986-0.0000 ( 4192 PWs) bands (ev): -16.3333 -16.3328 -16.1123 -16.1115 -15.3999 -15.3991 -14.8442 -14.8439 -14.8015 -14.8011 -14.7875 -14.7873 -5.9601 -5.9594 -4.5070 -4.5046 -3.9410 -3.9392 -2.8697 -2.8678 -2.8116 -2.8104 -2.0714 -2.0710 -0.5022 -0.4943 -0.4257 -0.4192 -0.3701 -0.3676 0.3552 0.3566 0.4307 0.4314 0.6299 0.6304 0.8000 0.8033 1.1933 1.1952 1.3197 1.3225 1.9456 1.9457 2.1231 2.1251 2.4766 2.4793 11.1341 11.1371 11.5665 11.5695 11.9811 11.9826 12.6661 12.6673 13.0410 13.0412 k = 0.3712 0.5117-0.0000 ( 4196 PWs) bands (ev): -16.3168 -16.3163 -16.1285 -16.1277 -15.4011 -15.4004 -14.8441 -14.8438 -14.8007 -14.8003 -14.7886 -14.7885 -5.9627 -5.9621 -4.4634 -4.4611 -3.9882 -3.9863 -2.8635 -2.8615 -2.8123 -2.8109 -2.0657 -2.0653 -0.4942 -0.4859 -0.4284 -0.4217 -0.3791 -0.3769 0.3711 0.3720 0.4340 0.4345 0.6152 0.6158 0.7958 0.7985 1.1947 1.1972 1.3066 1.3096 1.9636 1.9637 2.1121 2.1137 2.4784 2.4806 11.1790 11.1820 11.5621 11.5652 11.9564 11.9579 12.7139 12.7148 13.0343 13.0348 k = 0.3636 0.5249-0.0000 ( 4198 PWs) bands (ev): -16.2994 -16.2989 -16.1456 -16.1448 -15.4021 -15.4015 -14.8440 -14.8438 -14.7998 -14.7994 -14.7897 -14.7897 -5.9648 -5.9643 -4.4185 -4.4162 -4.0358 -4.0339 -2.8572 -2.8551 -2.8143 -2.8128 -2.0606 -2.0603 -0.4863 -0.4777 -0.4318 -0.4249 -0.3866 -0.3847 0.3865 0.3868 0.4365 0.4369 0.6021 0.6028 0.7903 0.7924 1.1991 1.2020 1.2933 1.2965 1.9811 1.9811 2.1004 2.1016 2.4800 2.4818 11.2253 11.2283 11.5511 11.5543 11.9349 11.9363 12.7610 12.7616 13.0274 13.0282 k = 0.3561 0.5380-0.0000 ( 4198 PWs) bands (ev): -16.2813 -16.2808 -16.1636 -16.1629 -15.4028 -15.4024 -14.8439 -14.8437 -14.7988 -14.7985 -14.7909 -14.7908 -5.9665 -5.9661 -4.3725 -4.3703 -4.0837 -4.0818 -2.8509 -2.8488 -2.8174 -2.8157 -2.0564 -2.0562 -0.4787 -0.4698 -0.4359 -0.4290 -0.3926 -0.3911 0.4007 0.4010 0.4377 0.4381 0.5911 0.5919 0.7842 0.7857 1.2062 1.2095 1.2799 1.2833 1.9980 1.9981 2.0881 2.0888 2.4813 2.4826 11.2728 11.2757 11.5321 11.5352 11.9179 11.9191 12.8052 12.8053 13.0216 13.0227 k = 0.3485 0.5511-0.0000 ( 4202 PWs) bands (ev): -16.2624 -16.2618 -16.1825 -16.1818 -15.4033 -15.4030 -14.8438 -14.8437 -14.7978 -14.7976 -14.7921 -14.7918 -5.9677 -5.9674 -4.3256 -4.3234 -4.1320 -4.1300 -2.8446 -2.8425 -2.8215 -2.8197 -2.0532 -2.0530 -0.4713 -0.4621 -0.4408 -0.4340 -0.3968 -0.3958 0.4128 0.4138 0.4373 0.4377 0.5830 0.5837 0.7785 0.7795 1.2154 1.2192 1.2665 1.2700 2.0143 2.0144 2.0752 2.0754 2.4823 2.4832 11.3213 11.3242 11.5039 11.5068 11.9062 11.9071 12.8419 12.8423 13.0197 13.0209 k = 0.3409 0.5642-0.0000 ( 4206 PWs) bands (ev): -16.2428 -16.2422 -16.2021 -16.2014 -15.4036 -15.4034 -14.8438 -14.8437 -14.7969 -14.7968 -14.7932 -14.7927 -5.9684 -5.9683 -4.2778 -4.2756 -4.1804 -4.1785 -2.8385 -2.8363 -2.8264 -2.8245 -2.0512 -2.0511 -0.4646 -0.4548 -0.4461 -0.4397 -0.3994 -0.3989 0.4225 0.4241 0.4352 0.4356 0.5782 0.5786 0.7744 0.7749 1.2264 1.2306 1.2532 1.2568 2.0298 2.0299 2.0616 2.0618 2.4830 2.4834 11.3705 11.3734 11.4666 11.4693 11.8999 11.9003 12.8660 12.8665 13.0258 13.0265 k = 0.3333 0.5774-0.0000 ( 4206 PWs) bands (ev): -16.2231 -16.2218 -16.2218 -16.2218 -15.4036 -15.4036 -14.8437 -14.8437 -14.7964 -14.7964 -14.7937 -14.7931 -5.9686 -5.9686 -4.2322 -4.2282 -4.2262 -4.2262 -2.8336 -2.8310 -2.8310 -2.8293 -2.0504 -2.0504 -0.4608 -0.4494 -0.4494 -0.4445 -0.4001 -0.4001 0.4272 0.4301 0.4327 0.4327 0.5768 0.5768 0.7729 0.7729 1.2361 1.2426 1.2426 1.2444 2.0410 2.0410 2.0508 2.0517 2.4834 2.4834 11.4169 11.4220 11.4242 11.4242 11.8982 11.8982 12.8740 12.8740 13.0413 13.0422 k = 0.3333 0.5774-0.0000 ( 4206 PWs) bands (ev): -16.2231 -16.2218 -16.2218 -16.2218 -15.4036 -15.4036 -14.8437 -14.8437 -14.7964 -14.7964 -14.7937 -14.7931 -5.9686 -5.9686 -4.2322 -4.2282 -4.2262 -4.2262 -2.8336 -2.8310 -2.8310 -2.8293 -2.0504 -2.0504 -0.4608 -0.4494 -0.4494 -0.4445 -0.4001 -0.4001 0.4272 0.4301 0.4327 0.4327 0.5768 0.5768 0.7729 0.7729 1.2361 1.2426 1.2426 1.2444 2.0410 2.0410 2.0508 2.0517 2.4834 2.4834 11.4169 11.4220 11.4242 11.4242 11.8982 11.8982 12.8740 12.8740 13.0415 13.0418 k = 0.3256 0.5639-0.0000 ( 4210 PWs) bands (ev): -16.2439 -16.2433 -16.2009 -16.2003 -15.4036 -15.4034 -14.8438 -14.8437 -14.7969 -14.7968 -14.7931 -14.7927 -5.9684 -5.9682 -4.2793 -4.2772 -4.1789 -4.1771 -2.8389 -2.8365 -2.8262 -2.8241 -2.0513 -2.0512 -0.4651 -0.4552 -0.4457 -0.4391 -0.3993 -0.3988 0.4230 0.4254 0.4336 0.4350 0.5781 0.5786 0.7748 0.7752 1.2254 1.2300 1.2537 1.2577 2.0291 2.0299 2.0618 2.0624 2.4830 2.4834 11.3657 11.3681 11.4720 11.4743 11.8996 11.9000 12.8674 12.8681 13.0187 13.0196 k = 0.3178 0.5505-0.0000 ( 4202 PWs) bands (ev): -16.2660 -16.2655 -16.1788 -16.1781 -15.4034 -15.4031 -14.8438 -14.8437 -14.7980 -14.7976 -14.7920 -14.7917 -5.9676 -5.9674 -4.3293 -4.3272 -4.1283 -4.1265 -2.8458 -2.8433 -2.8206 -2.8184 -2.0537 -2.0534 -0.4732 -0.4638 -0.4395 -0.4322 -0.3961 -0.3952 0.4158 0.4185 0.4317 0.4336 0.5822 0.5833 0.7813 0.7819 1.2121 1.2168 1.2684 1.2728 2.0127 2.0140 2.0758 2.0765 2.4822 2.4831 11.3043 11.3064 11.5234 11.5254 11.9034 11.9043 12.8523 12.8536 12.9910 12.9920 k = 0.3101 0.5371-0.0000 ( 4198 PWs) bands (ev): -16.2887 -16.2882 -16.1560 -16.1553 -15.4030 -15.4026 -14.8439 -14.8437 -14.7991 -14.7985 -14.7906 -14.7904 -5.9664 -5.9660 -4.3794 -4.3773 -4.0774 -4.0757 -2.8532 -2.8504 -2.8153 -2.8131 -2.0577 -2.0574 -0.4827 -0.4733 -0.4332 -0.4257 -0.3903 -0.3891 0.4078 0.4110 0.4256 0.4277 0.5887 0.5903 0.7924 0.7932 1.1988 1.2037 1.2837 1.2883 1.9954 1.9971 2.0896 2.0903 2.4810 2.4823 11.2372 11.2390 11.5744 11.5762 11.9086 11.9100 12.8327 12.8344 12.9593 12.9602 k = 0.3023 0.5236-0.0000 ( 4202 PWs) bands (ev): -16.3118 -16.3113 -16.1326 -16.1319 -15.4026 -15.4019 -14.8439 -14.8437 -14.8002 -14.7994 -14.7891 -14.7890 -5.9646 -5.9640 -4.4296 -4.4275 -4.0264 -4.0248 -2.8608 -2.8579 -2.8103 -2.8082 -2.0635 -2.0630 -0.4930 -0.4836 -0.4275 -0.4199 -0.3816 -0.3801 0.3996 0.4032 0.4154 0.4177 0.5970 0.5992 0.8080 0.8089 1.1858 1.1908 1.2995 1.3043 1.9773 1.9794 2.1027 2.1036 2.4794 2.4812 11.1653 11.1669 11.6249 11.6264 11.9144 11.9162 12.8109 12.8130 12.9245 12.9254 k = 0.2946 0.5102-0.0000 ( 4190 PWs) bands (ev): -16.3354 -16.3349 -16.1088 -16.1080 -15.4020 -15.4012 -14.8440 -14.8436 -14.8012 -14.8003 -14.7876 -14.7876 -5.9623 -5.9616 -4.4797 -4.4776 -3.9753 -3.9738 -2.8686 -2.8656 -2.8059 -2.8037 -2.0711 -2.0704 -0.5041 -0.4945 -0.4226 -0.4148 -0.3699 -0.3682 0.3915 0.3955 0.4019 0.4044 0.6068 0.6095 0.8275 0.8283 1.1731 1.1783 1.3155 1.3204 1.9585 1.9610 2.1153 2.1163 2.4774 2.4795 11.0893 11.0908 11.6743 11.6755 11.9199 11.9222 12.7884 12.7906 12.8879 12.8887 k = 0.2868 0.4968-0.0000 ( 4188 PWs) bands (ev): -16.3592 -16.3588 -16.0845 -16.0837 -15.4014 -15.4004 -14.8440 -14.8435 -14.8021 -14.8010 -14.7861 -14.7860 -5.9595 -5.9587 -4.5297 -4.5277 -3.9243 -3.9229 -2.8765 -2.8733 -2.8019 -2.7997 -2.0804 -2.0796 -0.5155 -0.5058 -0.4183 -0.4104 -0.3552 -0.3534 0.3836 0.3858 0.3860 0.3907 0.6177 0.6210 0.8500 0.8509 1.1606 1.1661 1.3317 1.3366 1.9391 1.9419 2.1272 2.1284 2.4749 2.4774 11.0098 11.0112 11.7222 11.7230 11.9247 11.9275 12.7660 12.7684 12.8504 12.8509 k = 0.2791 0.4834-0.0000 ( 4188 PWs) bands (ev): -16.3833 -16.3829 -16.0598 -16.0590 -15.4007 -15.3996 -14.8440 -14.8435 -14.8028 -14.8016 -14.7845 -14.7844 -5.9562 -5.9552 -4.5797 -4.5777 -3.8736 -3.8722 -2.8845 -2.8811 -2.7984 -2.7963 -2.0915 -2.0905 -0.5273 -0.5174 -0.4145 -0.4065 -0.3379 -0.3361 0.3671 0.3687 0.3772 0.3831 0.6296 0.6334 0.8749 0.8758 1.1486 1.1542 1.3478 1.3528 1.9191 1.9222 2.1385 2.1399 2.4720 2.4748 10.9274 10.9286 11.7682 11.7684 11.9284 11.9316 12.7447 12.7471 12.8128 12.8130 k = 0.2713 0.4699-0.0000 ( 4190 PWs) bands (ev): -16.4076 -16.4072 -16.0347 -16.0339 -15.4001 -15.3988 -14.8439 -14.8433 -14.8033 -14.8020 -14.7829 -14.7827 -5.9525 -5.9514 -4.6295 -4.6275 -3.8231 -3.8219 -2.8923 -2.8887 -2.7955 -2.7934 -2.1043 -2.1031 -0.5392 -0.5292 -0.4111 -0.4030 -0.3181 -0.3162 0.3476 0.3492 0.3707 0.3770 0.6422 0.6465 0.9017 0.9026 1.1369 1.1427 1.3638 1.3689 1.8985 1.9019 2.1492 2.1508 2.4685 2.4717 10.8424 10.8436 11.8113 11.8115 11.9305 11.9342 12.7250 12.7273 12.7754 12.7756 k = 0.2636 0.4565-0.0000 ( 4186 PWs) bands (ev): -16.4320 -16.4317 -16.0094 -16.0085 -15.3995 -15.3981 -14.8438 -14.8431 -14.8037 -14.8022 -14.7813 -14.7810 -5.9483 -5.9471 -4.6791 -4.6772 -3.7731 -3.7721 -2.9001 -2.8963 -2.7932 -2.7911 -2.1187 -2.1173 -0.5510 -0.5409 -0.4079 -0.3997 -0.2961 -0.2941 0.3273 0.3289 0.3649 0.3717 0.6555 0.6603 0.9297 0.9307 1.1256 1.1316 1.3797 1.3848 1.8775 1.8812 2.1593 2.1610 2.4646 2.4680 10.7553 10.7563 11.8508 11.8516 11.9308 11.9350 12.7074 12.7096 12.7388 12.7394 k = 0.2558 0.4431-0.0000 ( 4174 PWs) bands (ev): -16.4564 -16.4561 -15.9838 -15.9829 -15.3990 -15.3974 -14.8437 -14.8429 -14.8038 -14.8023 -14.7797 -14.7793 -5.9437 -5.9423 -4.7285 -4.7266 -3.7237 -3.7227 -2.9076 -2.9037 -2.7915 -2.7894 -2.1348 -2.1332 -0.5626 -0.5523 -0.4048 -0.3967 -0.2720 -0.2699 0.3069 0.3084 0.3597 0.3669 0.6693 0.6746 0.9585 0.9597 1.1148 1.1210 1.3955 1.4007 1.8562 1.8600 2.1688 2.1707 2.4601 2.4638 10.6664 10.6674 11.8863 11.8878 11.9292 11.9339 12.6924 12.6942 12.7037 12.7047 k = 0.2481 0.4297-0.0000 ( 4162 PWs) bands (ev): -16.4808 -16.4805 -15.9580 -15.9571 -15.3985 -15.3969 -14.8435 -14.8426 -14.8037 -14.8021 -14.7780 -14.7776 -5.9387 -5.9372 -4.7775 -4.7757 -3.6749 -3.6740 -2.9149 -2.9108 -2.7904 -2.7883 -2.1523 -2.1505 -0.5738 -0.5634 -0.4020 -0.3938 -0.2463 -0.2441 0.2867 0.2883 0.3549 0.3626 0.6835 0.6893 0.9878 0.9891 1.1044 1.1108 1.4110 1.4163 1.8345 1.8386 2.1776 2.1797 2.4550 2.4589 10.5761 10.5769 11.9167 11.9185 11.9266 11.9314 12.6694 12.6710 12.6809 12.6822 k = 0.2403 0.4162-0.0000 ( 4158 PWs) bands (ev): -16.5051 -16.5048 -15.9322 -15.9312 -15.3982 -15.3964 -14.8432 -14.8422 -14.8034 -14.8017 -14.7764 -14.7759 -5.9333 -5.9317 -4.8263 -4.8245 -3.6268 -3.6261 -2.9219 -2.9176 -2.7898 -2.7879 -2.1712 -2.1692 -0.5845 -0.5740 -0.3994 -0.3912 -0.2193 -0.2169 0.2675 0.2691 0.3505 0.3586 0.6980 0.7042 1.0173 1.0187 1.0945 1.1011 1.4265 1.4318 1.8126 1.8168 2.1859 2.1881 2.4494 2.4535 10.4846 10.4853 11.9193 11.9245 11.9444 11.9468 12.6375 12.6396 12.6716 12.6723 k = 0.2326 0.4028-0.0000 ( 4158 PWs) bands (ev): -16.5292 -16.5290 -15.9063 -15.9053 -15.3980 -15.3961 -14.8428 -14.8417 -14.8029 -14.8010 -14.7747 -14.7742 -5.9276 -5.9259 -4.8747 -4.8730 -3.5795 -3.5789 -2.9286 -2.9242 -2.7899 -2.7880 -2.1914 -2.1892 -0.5945 -0.5839 -0.3969 -0.3889 -0.1916 -0.1890 0.2499 0.2516 0.3463 0.3548 0.7127 0.7194 1.0466 1.0482 1.0851 1.0919 1.4417 1.4471 1.7906 1.7950 2.1935 2.1959 2.4432 2.4475 10.3922 10.3928 11.9118 11.9178 11.9644 11.9679 12.6073 12.6099 12.6650 12.6651 k = 0.2248 0.3894-0.0000 ( 4156 PWs) bands (ev): -16.5531 -16.5529 -15.8804 -15.8795 -15.3980 -15.3960 -14.8423 -14.8412 -14.8021 -14.8001 -14.7731 -14.7725 -5.9216 -5.9199 -4.9226 -4.9209 -3.5331 -3.5326 -2.9350 -2.9303 -2.7906 -2.7887 -2.2128 -2.2103 -0.6037 -0.5930 -0.3946 -0.3867 -0.1640 -0.1612 0.2348 0.2365 0.3422 0.3510 0.7276 0.7347 1.0749 1.0753 1.0787 1.0834 1.4568 1.4623 1.7685 1.7731 2.2004 2.2031 2.4364 2.4409 10.2992 10.2998 11.9025 11.9090 11.9793 11.9835 12.5790 12.5821 12.6597 12.6606 k = 0.2171 0.3759-0.0000 ( 4156 PWs) bands (ev): -16.5767 -16.5766 -15.8547 -15.8537 -15.3981 -15.3960 -14.8417 -14.8405 -14.8010 -14.7990 -14.7715 -14.7708 -5.9153 -5.9135 -4.9701 -4.9684 -3.4876 -3.4872 -2.9409 -2.9361 -2.7917 -2.7899 -2.2351 -2.2324 -0.6119 -0.6011 -0.3925 -0.3848 -0.1378 -0.1347 0.2233 0.2252 0.3381 0.3472 0.7425 0.7501 1.0676 1.0749 1.1041 1.1064 1.4718 1.4773 1.7466 1.7513 2.2068 2.2096 2.4291 2.4337 10.2059 10.2064 11.8918 11.8987 11.9888 11.9937 12.5523 12.5559 12.6554 12.6572 k = 0.2093 0.3625-0.0000 ( 4154 PWs) bands (ev): -16.6000 -16.5998 -15.8291 -15.8281 -15.3983 -15.3963 -14.8410 -14.8397 -14.7997 -14.7977 -14.7698 -14.7691 -5.9088 -5.9069 -5.0170 -5.0154 -3.4431 -3.4428 -2.9465 -2.9415 -2.7934 -2.7917 -2.2584 -2.2555 -0.6191 -0.6083 -0.3906 -0.3832 -0.1143 -0.1110 0.2169 0.2189 0.3338 0.3432 0.7575 0.7655 1.0597 1.0672 1.1318 1.1344 1.4867 1.4924 1.7250 1.7298 2.2124 2.2155 2.4211 2.4259 10.1125 10.1130 11.8799 11.8873 11.9933 11.9990 12.5274 12.5314 12.6509 12.6537 k = 0.2016 0.3491-0.0000 ( 4154 PWs) bands (ev): -16.6229 -16.6227 -15.8038 -15.8028 -15.3988 -15.3967 -14.8401 -14.8388 -14.7982 -14.7961 -14.7682 -14.7674 -5.9021 -5.9002 -5.0632 -5.0617 -3.3997 -3.3995 -2.9516 -2.9465 -2.7956 -2.7939 -2.2823 -2.2792 -0.6252 -0.6143 -0.3890 -0.3818 -0.0953 -0.0918 0.2174 0.2194 0.3292 0.3388 0.7723 0.7808 1.0523 1.0601 1.1587 1.1616 1.5016 1.5073 1.7037 1.7085 2.2175 2.2207 2.4126 2.4174 10.0193 10.0197 11.8673 11.8750 11.9935 11.9998 12.5039 12.5083 12.6453 12.6491 k = 0.1938 0.3357-0.0000 ( 4150 PWs) bands (ev): -16.6453 -16.6452 -15.7788 -15.7778 -15.3994 -15.3973 -14.8392 -14.8377 -14.7964 -14.7943 -14.7667 -14.7658 -5.8952 -5.8933 -5.1087 -5.1073 -3.3574 -3.3573 -2.9562 -2.9510 -2.7981 -2.7965 -2.3069 -2.3035 -0.6300 -0.6191 -0.3878 -0.3808 -0.0823 -0.0786 0.2260 0.2280 0.3242 0.3339 0.7871 0.7959 1.0454 1.0534 1.1846 1.1878 1.5165 1.5223 1.6829 1.6878 2.2218 2.2252 2.4035 2.4084 9.9265 9.9269 11.8544 11.8624 11.9901 11.9968 12.4817 12.4865 12.6378 12.6425 k = 0.1860 0.3222-0.0000 ( 4154 PWs) bands (ev): -16.6672 -16.6671 -15.7542 -15.7532 -15.4002 -15.3980 -14.8381 -14.8365 -14.7945 -14.7923 -14.7651 -14.7641 -5.8882 -5.8862 -5.1535 -5.1521 -3.3163 -3.3163 -2.9605 -2.9551 -2.8010 -2.7995 -2.3319 -2.3282 -0.6337 -0.6228 -0.3868 -0.3801 -0.0758 -0.0722 0.2433 0.2452 0.3186 0.3285 0.8016 0.8108 1.0390 1.0473 1.2094 1.2130 1.5313 1.5373 1.6628 1.6677 2.2255 2.2290 2.3939 2.3988 9.8345 9.8348 11.8415 11.8497 11.9837 11.9910 12.4607 12.4659 12.6277 12.6332 k = 0.1783 0.3088-0.0000 ( 4162 PWs) bands (ev): -16.6886 -16.6885 -15.7300 -15.7290 -15.4011 -15.3989 -14.8368 -14.8352 -14.7923 -14.7901 -14.7636 -14.7626 -5.8811 -5.8791 -5.1974 -5.1961 -3.2765 -3.2764 -2.9642 -2.9587 -2.8043 -2.8028 -2.3571 -2.3533 -0.6360 -0.6251 -0.3863 -0.3799 -0.0754 -0.0718 0.2686 0.2704 0.3123 0.3223 0.8158 0.8254 1.0332 1.0417 1.2331 1.2371 1.5462 1.5523 1.6435 1.6483 2.2285 2.2321 2.3838 2.3887 9.7433 9.7436 11.8289 11.8374 11.9751 11.9828 12.4408 12.4462 12.6149 12.6212 k = 0.1705 0.2954-0.0000 ( 4160 PWs) bands (ev): -16.7094 -16.7093 -15.7064 -15.7054 -15.4022 -15.4000 -14.8354 -14.8337 -14.7900 -14.7878 -14.7621 -14.7610 -5.8740 -5.8719 -5.2404 -5.2391 -3.2380 -3.2378 -2.9675 -2.9618 -2.8077 -2.8064 -2.3826 -2.3785 -0.6370 -0.6262 -0.3862 -0.3802 -0.0797 -0.0763 0.2987 0.3019 0.3072 0.3155 0.8297 0.8397 1.0278 1.0366 1.2557 1.2600 1.5610 1.5674 1.6251 1.6299 2.2307 2.2345 2.3731 2.3781 9.6534 9.6536 11.8171 11.8257 11.9650 11.9729 12.4218 12.4274 12.5996 12.6065 k = 0.1628 0.2820-0.0000 ( 4160 PWs) bands (ev): -16.7296 -16.7295 -15.6835 -15.6824 -15.4034 -15.4013 -14.8338 -14.8320 -14.7875 -14.7853 -14.7607 -14.7595 -5.8668 -5.8647 -5.2823 -5.2811 -3.2009 -3.2005 -2.9702 -2.9645 -2.8114 -2.8101 -2.4080 -2.4038 -0.6367 -0.6259 -0.3865 -0.3809 -0.0873 -0.0840 0.2964 0.3070 0.3382 0.3390 0.8432 0.8536 1.0229 1.0320 1.2770 1.2817 1.5757 1.5824 1.6081 1.6125 2.2323 2.2362 2.3620 2.3670 9.5648 9.5650 11.8062 11.8149 11.9537 11.9619 12.4036 12.4094 12.5820 12.5894 k = 0.1550 0.2685-0.0000 ( 4168 PWs) bands (ev): -16.7491 -16.7490 -15.6611 -15.6601 -15.4048 -15.4026 -14.8321 -14.8303 -14.7849 -14.7827 -14.7593 -14.7581 -5.8597 -5.8576 -5.3231 -5.3220 -3.1651 -3.1646 -2.9725 -2.9667 -2.8151 -2.8140 -2.4334 -2.4289 -0.6350 -0.6243 -0.3874 -0.3822 -0.0969 -0.0937 0.2876 0.2981 0.3782 0.3789 0.8563 0.8670 1.0184 1.0279 1.2972 1.3022 1.5858 1.5946 1.5968 1.5991 2.2331 2.2371 2.3505 2.3554 9.4780 9.4781 11.7966 11.8053 11.9418 11.9501 12.3862 12.3922 12.5626 12.5703 k = 0.1473 0.2551-0.0000 ( 4162 PWs) bands (ev): -16.7678 -16.7678 -15.6396 -15.6386 -15.4062 -15.4041 -14.8302 -14.8283 -14.7821 -14.7800 -14.7580 -14.7567 -5.8526 -5.8505 -5.3627 -5.3617 -3.1309 -3.1302 -2.9743 -2.9684 -2.8188 -2.8178 -2.4585 -2.4539 -0.6321 -0.6214 -0.3889 -0.3841 -0.1076 -0.1044 0.2776 0.2880 0.4207 0.4212 0.8688 0.8799 1.0145 1.0242 1.3162 1.3215 1.5748 1.5807 1.6078 1.6131 2.2331 2.2372 2.3387 2.3435 9.3930 9.3932 11.7883 11.7970 11.9295 11.9380 12.3696 12.3757 12.5417 12.5496 k = 0.1395 0.2417-0.0000 ( 4158 PWs) bands (ev): -16.7858 -16.7858 -15.6188 -15.6178 -15.4077 -15.4057 -14.8282 -14.8263 -14.7793 -14.7773 -14.7567 -14.7553 -5.8456 -5.8436 -5.4011 -5.4001 -3.0982 -3.0974 -2.9756 -2.9696 -2.8225 -2.8217 -2.4833 -2.4785 -0.6278 -0.6171 -0.3910 -0.3866 -0.1186 -0.1155 0.2664 0.2768 0.4644 0.4648 0.8808 0.8922 1.0110 1.0210 1.3341 1.3396 1.5614 1.5669 1.6226 1.6282 2.2325 2.2366 2.3266 2.3313 9.3103 9.3104 11.7814 11.7902 11.9173 11.9258 12.3538 12.3600 12.5197 12.5278 k = 0.1318 0.2283-0.0000 ( 4166 PWs) bands (ev): -16.8031 -16.8030 -15.5989 -15.5979 -15.4093 -15.4073 -14.8261 -14.8241 -14.7765 -14.7745 -14.7554 -14.7540 -5.8387 -5.8367 -5.4380 -5.4371 -3.0673 -3.0663 -2.9764 -2.9704 -2.8260 -2.8253 -2.5077 -2.5027 -0.6222 -0.6117 -0.3937 -0.3897 -0.1296 -0.1265 0.2542 0.2645 0.5088 0.5090 0.8921 0.9039 1.0079 1.0183 1.3510 1.3567 1.5491 1.5544 1.6376 1.6432 2.2311 2.2352 2.3142 2.3188 9.2300 9.2301 11.7762 11.7848 11.9052 11.9137 12.3389 12.3450 12.4971 12.5052 k = 0.1240 0.2148-0.0000 ( 4168 PWs) bands (ev): -16.8195 -16.8195 -15.5800 -15.5790 -15.4109 -15.4090 -14.8238 -14.8218 -14.7736 -14.7717 -14.7542 -14.7528 -5.8320 -5.8301 -5.4735 -5.4726 -3.0382 -3.0369 -2.9766 -2.9707 -2.8291 -2.8286 -2.5315 -2.5263 -0.6154 -0.6050 -0.3970 -0.3934 -0.1401 -0.1370 0.2409 0.2511 0.5532 0.5533 0.9028 0.9149 1.0052 1.0160 1.3668 1.3726 1.5382 1.5433 1.6526 1.6582 2.2290 2.2331 2.3017 2.3062 9.1524 9.1525 11.7724 11.7810 11.8936 11.9020 12.3248 12.3310 12.4741 12.4823 k = 0.1163 0.2014-0.0000 ( 4168 PWs) bands (ev): -16.8351 -16.8350 -15.5620 -15.5610 -15.4126 -15.4108 -14.8214 -14.8194 -14.7707 -14.7689 -14.7531 -14.7516 -5.8255 -5.8236 -5.5073 -5.5066 -3.0113 -3.0095 -2.9763 -2.9706 -2.8318 -2.8315 -2.5546 -2.5494 -0.6074 -0.5972 -0.4008 -0.3977 -0.1499 -0.1469 0.2266 0.2367 0.5971 0.5971 0.9128 0.9252 1.0029 1.0141 1.3817 1.3876 1.5286 1.5337 1.6675 1.6730 2.2262 2.2303 2.2891 2.2935 9.0778 9.0778 11.7702 11.7786 11.8825 11.8908 12.3118 12.3179 12.4511 12.4592 k = 0.1085 0.1880-0.0000 ( 4166 PWs) bands (ev): -16.8497 -16.8497 -15.5450 -15.5441 -15.4142 -15.4125 -14.8190 -14.8169 -14.7679 -14.7661 -14.7520 -14.7505 -5.8192 -5.8174 -5.5396 -5.5388 -2.9876 -2.9844 -2.9743 -2.9700 -2.8336 -2.8336 -2.5770 -2.5717 -0.5983 -0.5883 -0.4052 -0.4024 -0.1590 -0.1560 0.2113 0.2213 0.6400 0.6401 0.9221 0.9348 1.0011 1.0125 1.3956 1.4015 1.5205 1.5254 1.6822 1.6876 2.2228 2.2268 2.2766 2.2808 9.0064 9.0064 11.7694 11.7775 11.8720 11.8802 12.2997 12.3057 12.4284 12.4363 k = 0.1008 0.1745-0.0000 ( 4162 PWs) bands (ev): -16.8635 -16.8635 -15.5291 -15.5282 -15.4159 -15.4143 -14.8165 -14.8144 -14.7651 -14.7634 -14.7509 -14.7494 -5.8132 -5.8115 -5.5700 -5.5694 -2.9770 -2.9691 -2.9617 -2.9617 -2.8346 -2.8343 -2.5987 -2.5933 -0.5882 -0.5784 -0.4100 -0.4075 -0.1673 -0.1643 0.1952 0.2049 0.6816 0.6817 0.9306 0.9435 0.9996 1.0114 1.4087 1.4145 1.5137 1.5184 1.6967 1.7018 2.2188 2.2226 2.2643 2.2682 8.9384 8.9385 11.7698 11.7777 11.8623 11.8703 12.2889 12.2947 12.4061 12.4138 k = 0.0930 0.1611-0.0000 ( 4148 PWs) bands (ev): -16.8764 -16.8764 -15.5143 -15.5135 -15.4175 -15.4159 -14.8139 -14.8119 -14.7624 -14.7609 -14.7500 -14.7485 -5.8075 -5.8059 -5.5986 -5.5980 -2.9746 -2.9676 -2.9433 -2.9423 -2.8340 -2.8335 -2.6193 -2.6139 -0.5773 -0.5677 -0.4150 -0.4130 -0.1746 -0.1718 0.1784 0.1879 0.7215 0.7217 0.9384 0.9514 0.9987 1.0107 1.4209 1.4266 1.5083 1.5127 1.7108 1.7158 2.2142 2.2179 2.2522 2.2559 8.8743 8.8743 11.7714 11.7789 11.8534 11.8611 12.2792 12.2848 12.3847 12.3921 k = 0.0853 0.1477-0.0000 ( 4142 PWs) bands (ev): -16.8883 -16.8883 -15.5006 -15.4998 -15.4190 -15.4176 -14.8114 -14.8094 -14.7598 -14.7584 -14.7490 -14.7475 -5.8022 -5.8007 -5.6253 -5.6248 -2.9725 -2.9659 -2.9280 -2.9265 -2.8313 -2.8304 -2.6390 -2.6337 -0.5656 -0.5563 -0.4203 -0.4186 -0.1812 -0.1784 0.1611 0.1703 0.7594 0.7597 0.9454 0.9584 0.9982 1.0102 1.4323 1.4378 1.5040 1.5082 1.7246 1.7293 2.2091 2.2126 2.2405 2.2439 8.8141 8.8141 11.7738 11.7809 11.8454 11.8527 12.2708 12.2762 12.3641 12.3712 k = 0.0775 0.1343-0.0000 ( 4134 PWs) bands (ev): -16.8992 -16.8992 -15.4881 -15.4874 -15.4205 -15.4192 -14.8089 -14.8069 -14.7574 -14.7561 -14.7481 -14.7467 -5.7972 -5.7957 -5.6500 -5.6495 -2.9702 -2.9638 -2.9165 -2.9148 -2.8260 -2.8249 -2.6577 -2.6523 -0.5533 -0.5443 -0.4257 -0.4242 -0.1869 -0.1843 0.1436 0.1524 0.7949 0.7953 0.9516 0.9644 0.9982 1.0101 1.4429 1.4482 1.5008 1.5048 1.7379 1.7422 2.2037 2.2069 2.2293 2.2324 8.7581 8.7582 11.7769 11.7836 11.8382 11.8451 12.2636 12.2687 12.3447 12.3514 k = 0.0698 0.1208-0.0000 ( 4131 PWs) bands (ev): -16.9092 -16.9092 -15.4767 -15.4760 -15.4218 -15.4207 -14.8064 -14.8046 -14.7552 -14.7540 -14.7473 -14.7459 -5.7925 -5.7912 -5.6725 -5.6721 -2.9676 -2.9614 -2.9088 -2.9071 -2.8182 -2.8171 -2.6751 -2.6699 -0.5406 -0.5321 -0.4310 -0.4298 -0.1918 -0.1894 0.1260 0.1344 0.8278 0.8282 0.9571 0.9693 0.9989 1.0103 1.4526 1.4576 1.4986 1.5022 1.7506 1.7546 2.1980 2.2008 2.2188 2.2214 8.7067 8.7067 11.7805 11.7866 11.8320 11.8384 12.2577 12.2625 12.3266 12.3329 k = 0.0620 0.1074-0.0000 ( 4137 PWs) bands (ev): -16.9181 -16.9181 -15.4665 -15.4659 -15.4231 -15.4220 -14.8041 -14.8024 -14.7531 -14.7521 -14.7464 -14.7452 -5.7883 -5.7871 -5.6929 -5.6926 -2.9647 -2.9588 -2.9042 -2.9026 -2.8089 -2.8078 -2.6912 -2.6863 -0.5278 -0.5198 -0.4362 -0.4351 -0.1961 -0.1939 0.1086 0.1166 0.8578 0.8583 0.9620 0.9730 1.0002 1.0108 1.4615 1.4661 1.4972 1.5005 1.7626 1.7662 2.1921 2.1944 2.2091 2.2113 8.6600 8.6600 11.7842 11.7897 11.8268 11.8325 12.2531 12.2574 12.3100 12.3157 k = 0.0543 0.0940-0.0000 ( 4131 PWs) bands (ev): -16.9261 -16.9261 -15.4575 -15.4570 -15.4242 -15.4233 -14.8019 -14.8003 -14.7513 -14.7505 -14.7456 -14.7445 -5.7845 -5.7835 -5.7111 -5.7108 -2.9616 -2.9561 -2.9017 -2.9003 -2.7988 -2.7979 -2.7060 -2.7013 -0.5151 -0.5076 -0.4410 -0.4401 -0.1997 -0.1977 0.0919 0.0993 0.8845 0.8851 0.9663 0.9758 1.0021 1.0114 1.4696 1.4737 1.4965 1.4995 1.7738 1.7769 2.1861 2.1879 2.2005 2.2021 8.6181 8.6182 11.7879 11.7926 11.8225 11.8275 12.2496 12.2535 12.2950 12.3002 k = 0.0465 0.0806-0.0000 ( 4135 PWs) bands (ev): -16.9330 -16.9330 -15.4497 -15.4492 -15.4252 -15.4244 -14.7999 -14.7985 -14.7497 -14.7491 -14.7449 -14.7439 -5.7812 -5.7803 -5.7270 -5.7267 -2.9585 -2.9534 -2.9006 -2.8994 -2.7891 -2.7882 -2.7192 -2.7149 -0.5028 -0.4960 -0.4454 -0.4447 -0.2027 -0.2010 0.0762 0.0829 0.9077 0.9085 0.9701 0.9779 1.0043 1.0122 1.4767 1.4803 1.4963 1.4989 1.7840 1.7867 2.1803 2.1815 2.1929 2.1939 8.5815 8.5815 11.7913 11.7951 11.8192 11.8233 12.2472 12.2506 12.2818 12.2864 k = 0.0388 0.0671-0.0000 ( 4133 PWs) bands (ev): -16.9388 -16.9388 -15.4431 -15.4427 -15.4261 -15.4254 -14.7981 -14.7969 -14.7484 -14.7480 -14.7441 -14.7434 -5.7783 -5.7776 -5.7405 -5.7403 -2.9553 -2.9508 -2.9002 -2.8993 -2.7802 -2.7794 -2.7306 -2.7269 -0.4913 -0.4853 -0.4493 -0.4488 -0.2051 -0.2037 0.0619 0.0678 0.9271 0.9282 0.9738 0.9796 1.0067 1.0130 1.4829 1.4860 1.4965 1.4986 1.7931 1.7953 2.1748 2.1756 2.1863 2.1869 8.5501 8.5501 11.7942 11.7969 11.8171 11.8201 12.2456 12.2485 12.2705 12.2744 k = 0.0310 0.0537-0.0000 ( 4137 PWs) bands (ev): -16.9437 -16.9436 -15.4377 -15.4374 -15.4268 -15.4263 -14.7966 -14.7956 -14.7474 -14.7471 -14.7434 -14.7429 -5.7760 -5.7753 -5.7516 -5.7514 -2.9523 -2.9485 -2.9003 -2.8995 -2.7727 -2.7719 -2.7402 -2.7371 -0.4809 -0.4759 -0.4525 -0.4522 -0.2071 -0.2059 0.0495 0.0544 0.9422 0.9437 0.9776 0.9813 1.0090 1.0138 1.4881 1.4905 1.4970 1.4986 1.8008 1.8027 2.1699 2.1703 2.1808 2.1810 8.5242 8.5242 11.7964 11.7981 11.8159 11.8179 12.2447 12.2470 12.2612 12.2643 k = 0.0233 0.0403-0.0000 ( 4145 PWs) bands (ev): -16.9474 -16.9474 -15.4335 -15.4332 -15.4274 -15.4270 -14.7953 -14.7946 -14.7466 -14.7465 -14.7428 -14.7425 -5.7741 -5.7736 -5.7603 -5.7602 -2.9496 -2.9465 -2.9004 -2.8999 -2.7668 -2.7660 -2.7475 -2.7453 -0.4722 -0.4682 -0.4551 -0.4549 -0.2085 -0.2076 0.0394 0.0433 0.9529 0.9548 0.9817 0.9835 1.0111 1.0144 1.4922 1.4939 1.4977 1.4987 1.8071 1.8085 2.1657 2.1659 2.1765 2.1765 8.5040 8.5040 11.7978 11.7986 11.8155 11.8165 12.2444 12.2460 12.2541 12.2563 k = 0.0155 0.0269-0.0000 ( 4145 PWs) bands (ev): -16.9501 -16.9501 -15.4304 -15.4303 -15.4277 -15.4275 -14.7944 -14.7938 -14.7461 -14.7461 -14.7423 -14.7421 -5.7727 -5.7724 -5.7665 -5.7664 -2.9473 -2.9452 -2.9006 -2.9003 -2.7630 -2.7620 -2.7523 -2.7512 -0.4654 -0.4625 -0.4570 -0.4570 -0.2095 -0.2089 0.0321 0.0347 0.9596 0.9613 0.9857 0.9862 1.0129 1.0149 1.4952 1.4960 1.4985 1.4989 1.8118 1.8127 2.1626 2.1626 2.1732 2.1732 8.4894 8.4894 11.7985 11.7987 11.8155 11.8159 12.2443 12.2451 12.2492 12.2505 k = 0.0078 0.0134-0.0000 ( 4151 PWs) bands (ev): -16.9517 -16.9517 -15.4286 -15.4285 -15.4279 -15.4278 -14.7938 -14.7935 -14.7458 -14.7458 -14.7420 -14.7419 -5.7718 -5.7717 -5.7703 -5.7702 -2.9456 -2.9446 -2.9007 -2.9006 -2.7615 -2.7606 -2.7542 -2.7540 -0.4610 -0.4593 -0.4582 -0.4580 -0.2100 -0.2097 0.0278 0.0291 0.9632 0.9642 0.9885 0.9886 1.0142 1.0152 1.4969 1.4970 1.4992 1.4993 1.8148 1.8152 2.1606 2.1606 2.1712 2.1713 8.4806 8.4806 11.7987 11.7988 11.8156 11.8157 12.2441 12.2442 12.2468 12.2471 k = 0.0000 0.0000 0.0000 ( 4157 PWs) bands (ev): -16.9522 -16.9522 -15.4280 -15.4280 -15.4279 -15.4279 -14.7934 -14.7934 -14.7457 -14.7457 -14.7419 -14.7419 -5.7716 -5.7716 -5.7714 -5.7714 -2.9447 -2.9447 -2.9007 -2.9007 -2.7610 -2.7610 -2.7545 -2.7545 -0.4592 -0.4592 -0.4581 -0.4581 -0.2101 -0.2101 0.0268 0.0268 0.9647 0.9647 0.9896 0.9896 1.0149 1.0149 1.4973 1.4973 1.4995 1.4995 1.8159 1.8159 2.1600 2.1600 2.1706 2.1706 8.4777 8.4777 11.7988 11.7988 11.8156 11.8156 12.2437 12.2437 12.2462 12.2462 k = 0.0000 0.0000 0.0000 ( 4157 PWs) bands (ev): -16.9522 -16.9522 -15.4280 -15.4280 -15.4279 -15.4279 -14.7934 -14.7934 -14.7457 -14.7457 -14.7419 -14.7419 -5.7716 -5.7716 -5.7714 -5.7714 -2.9447 -2.9447 -2.9007 -2.9007 -2.7610 -2.7610 -2.7545 -2.7545 -0.4592 -0.4592 -0.4581 -0.4581 -0.2101 -0.2101 0.0268 0.0268 0.9647 0.9647 0.9896 0.9896 1.0149 1.0149 1.4973 1.4973 1.4995 1.4995 1.8159 1.8159 2.1600 2.1600 2.1706 2.1706 8.4777 8.4777 11.7988 11.7988 11.8156 11.8156 12.2437 12.2437 12.2462 12.2462 k = 0.0000 0.0000 0.0151 ( 4151 PWs) bands (ev): -16.9517 -16.9517 -15.4639 -15.4638 -15.3926 -15.3925 -14.7935 -14.7934 -14.7472 -14.7443 -14.7433 -14.7405 -5.8353 -5.8351 -5.7068 -5.7066 -2.9468 -2.9459 -2.9008 -2.9002 -2.7845 -2.7778 -2.7371 -2.7306 -0.4730 -0.4718 -0.4447 -0.4436 -0.2098 -0.2096 0.0274 0.0282 0.9623 0.9662 0.9872 0.9913 1.0132 1.0136 1.4759 1.4779 1.5154 1.5178 1.8165 1.8168 2.1474 2.1578 2.1748 2.1855 8.4806 8.4806 11.7792 11.7966 11.8174 11.8336 12.2255 12.2282 12.2617 12.2638 k = 0.0000 0.0000 0.0303 ( 4151 PWs) bands (ev): -16.9501 -16.9500 -15.5001 -15.5000 -15.3576 -15.3575 -14.7935 -14.7932 -14.7486 -14.7446 -14.7428 -14.7392 -5.8979 -5.8977 -5.6410 -5.6408 -2.9519 -2.9503 -2.9006 -2.8996 -2.8074 -2.8007 -2.7127 -2.7063 -0.4858 -0.4845 -0.4295 -0.4285 -0.2087 -0.2084 0.0302 0.0317 0.9590 0.9668 0.9841 0.9925 1.0085 1.0094 1.4514 1.4533 1.5297 1.5324 1.8185 1.8191 2.1376 2.1477 2.1913 2.2021 8.4892 8.4892 11.7592 11.7771 11.8344 11.8498 12.2062 12.2091 12.2800 12.2817 k = 0.0000 0.0000 0.0454 ( 4151 PWs) bands (ev): -16.9473 -16.9473 -15.5367 -15.5366 -15.3232 -15.3232 -14.7935 -14.7931 -14.7500 -14.7460 -14.7414 -14.7378 -5.9592 -5.9590 -5.5743 -5.5741 -2.9595 -2.9573 -2.9006 -2.8994 -2.8298 -2.8230 -2.6879 -2.6816 -0.4976 -0.4963 -0.4137 -0.4128 -0.2069 -0.2064 0.0350 0.0372 0.9549 0.9662 0.9805 0.9931 1.0008 1.0027 1.4245 1.4262 1.5399 1.5430 1.8218 1.8229 2.1309 2.1406 2.2090 2.2199 8.5035 8.5035 11.7395 11.7577 11.8491 11.8634 12.1854 12.1883 12.2994 12.3005 k = 0.0000 0.0000 0.0606 ( 4139 PWs) bands (ev): -16.9435 -16.9435 -15.5736 -15.5735 -15.2894 -15.2894 -14.7935 -14.7929 -14.7514 -14.7473 -14.7400 -14.7365 -6.0191 -6.0189 -5.5068 -5.5065 -2.9692 -2.9666 -2.9011 -2.8999 -2.8516 -2.8447 -2.6628 -2.6566 -0.5083 -0.5069 -0.3976 -0.3967 -0.2043 -0.2037 0.0417 0.0447 0.9497 0.9635 0.9761 0.9904 0.9931 0.9943 1.3953 1.3969 1.5459 1.5494 1.8266 1.8281 2.1277 2.1369 2.2274 2.2384 8.5234 8.5234 11.7205 11.7389 11.8607 11.8739 12.1627 12.1655 12.3206 12.3209 k = 0.0000 0.0000 0.0757 ( 4139 PWs) bands (ev): -16.9386 -16.9386 -15.6107 -15.6106 -15.2563 -15.2562 -14.7934 -14.7926 -14.7529 -14.7487 -14.7386 -14.7352 -6.0776 -6.0774 -5.4385 -5.4383 -2.9807 -2.9779 -2.9026 -2.9015 -2.8727 -2.8658 -2.6374 -2.6314 -0.5178 -0.5163 -0.3811 -0.3803 -0.2010 -0.2002 0.0504 0.0541 0.9430 0.9571 0.9711 0.9777 0.9860 0.9925 1.3643 1.3658 1.5477 1.5515 1.8328 1.8346 2.1280 2.1367 2.2462 2.2572 8.5488 8.5488 11.7026 11.7213 11.8688 11.8808 12.1375 12.1403 12.3436 12.3440 k = 0.0000 0.0000 0.0909 ( 4145 PWs) bands (ev): -16.9326 -16.9326 -15.6480 -15.6479 -15.2239 -15.2238 -14.7933 -14.7924 -14.7543 -14.7501 -14.7372 -14.7339 -6.1346 -6.1344 -5.3696 -5.3694 -2.9938 -2.9908 -2.9051 -2.9042 -2.8930 -2.8861 -2.6119 -2.6060 -0.5260 -0.5244 -0.3645 -0.3637 -0.1968 -0.1960 0.0609 0.0652 0.9341 0.9451 0.9638 0.9654 0.9800 0.9914 1.3318 1.3332 1.5454 1.5497 1.8404 1.8425 2.1317 2.1399 2.2649 2.2759 8.5797 8.5797 11.6863 11.7051 11.8730 11.8837 12.1095 12.1122 12.3689 12.3702 k = 0.0000 0.0000 0.1060 ( 4151 PWs) bands (ev): -16.9256 -16.9256 -15.6855 -15.6854 -15.1922 -15.1921 -14.7932 -14.7921 -14.7557 -14.7514 -14.7358 -14.7326 -6.1900 -6.1898 -5.3002 -5.3000 -3.0084 -3.0052 -2.9130 -2.9089 -2.9078 -2.9058 -2.5862 -2.5805 -0.5327 -0.5310 -0.3479 -0.3472 -0.1919 -0.1910 0.0730 0.0780 0.9212 0.9279 0.9505 0.9590 0.9760 0.9898 1.2981 1.2994 1.5395 1.5441 1.8492 1.8518 2.1385 2.1462 2.2832 2.2941 8.6158 8.6158 11.6718 11.6907 11.8732 11.8827 12.0786 12.0812 12.3970 12.3991 k = 0.0000 0.0000 0.1211 ( 4151 PWs) bands (ev): -16.9174 -16.9174 -15.7230 -15.7229 -15.1614 -15.1613 -14.7930 -14.7918 -14.7570 -14.7528 -14.7345 -14.7314 -6.2437 -6.2436 -5.2304 -5.2301 -3.0243 -3.0211 -2.9318 -2.9247 -2.9138 -2.9131 -2.5605 -2.5549 -0.5380 -0.5362 -0.3314 -0.3307 -0.1862 -0.1853 0.0868 0.0924 0.9033 0.9070 0.9390 0.9519 0.9729 0.9877 1.2633 1.2645 1.5306 1.5355 1.8594 1.8623 2.1480 2.1552 2.3007 2.3117 8.6571 8.6571 11.6594 11.6783 11.8695 11.8778 12.0446 12.0471 12.4278 12.4308 k = 0.0000 0.0000 0.1363 ( 4163 PWs) bands (ev): -16.9082 -16.9082 -15.7606 -15.7605 -15.1314 -15.1313 -14.7928 -14.7914 -14.7584 -14.7541 -14.7332 -14.7302 -6.2957 -6.2956 -5.1602 -5.1599 -3.0416 -3.0384 -2.9500 -2.9428 -2.9199 -2.9195 -2.5348 -2.5294 -0.5417 -0.5399 -0.3152 -0.3146 -0.1798 -0.1789 0.1020 0.1082 0.8811 0.8832 0.9289 0.9440 0.9700 0.9852 1.2278 1.2288 1.5191 1.5242 1.8709 1.8742 2.1598 2.1665 2.3174 2.3283 8.7033 8.7034 11.6491 11.6681 11.8621 11.8693 12.0073 12.0096 12.4613 12.4649 k = 0.0000 0.0000 0.1514 ( 4157 PWs) bands (ev): -16.8980 -16.8980 -15.7981 -15.7980 -15.1024 -15.1023 -14.7926 -14.7911 -14.7597 -14.7554 -14.7319 -14.7290 -6.3458 -6.3457 -5.0898 -5.0895 -3.0603 -3.0571 -2.9673 -2.9601 -2.9271 -2.9270 -2.5092 -2.5040 -0.5438 -0.5419 -0.2993 -0.2988 -0.1727 -0.1718 0.1186 0.1253 0.8559 0.8571 0.9192 0.9354 0.9672 0.9823 1.1916 1.1924 1.5057 1.5110 1.8835 1.8872 2.1733 2.1795 2.3329 2.3437 8.7544 8.7544 11.6412 11.6602 11.8516 11.8577 11.9668 11.9689 12.4971 12.5014 k = 0.0000 0.0000 0.1666 ( 4150 PWs) bands (ev): -16.8867 -16.8866 -15.8356 -15.8355 -15.0743 -15.0743 -14.7923 -14.7906 -14.7611 -14.7567 -14.7306 -14.7279 -6.3941 -6.3939 -5.0192 -5.0189 -3.0803 -3.0772 -2.9838 -2.9766 -2.9355 -2.9353 -2.4838 -2.4787 -0.5442 -0.5423 -0.2840 -0.2835 -0.1650 -0.1642 0.1362 0.1435 0.8285 0.8292 0.9093 0.9259 0.9642 0.9790 1.1551 1.1557 1.4910 1.4963 1.8974 1.9015 2.1880 2.1939 2.3470 2.3578 8.8100 8.8100 11.6356 11.6544 11.8382 11.8434 11.9232 11.9251 12.5349 12.5397 k = 0.0000 0.0000 0.1817 ( 4138 PWs) bands (ev): -16.8743 -16.8743 -15.8731 -15.8730 -15.0473 -15.0473 -14.7920 -14.7902 -14.7624 -14.7580 -14.7294 -14.7268 -6.4403 -6.4402 -4.9485 -4.9482 -3.1016 -3.0986 -2.9995 -2.9922 -2.9450 -2.9444 -2.4587 -2.4538 -0.5429 -0.5409 -0.2693 -0.2688 -0.1567 -0.1561 0.1549 0.1627 0.7995 0.7999 0.8989 0.9155 0.9612 0.9755 1.1184 1.1186 1.4753 1.4807 1.9124 1.9168 2.2036 2.2091 2.3596 2.3704 8.8700 8.8700 11.6320 11.6506 11.8225 11.8268 11.8770 11.8785 12.5744 12.5795 k = 0.0000 0.0000 0.1969 ( 4150 PWs) bands (ev): -16.8609 -16.8609 -15.9104 -15.9103 -15.0214 -15.0214 -14.7917 -14.7897 -14.7636 -14.7592 -14.7282 -14.7257 -6.4845 -6.4844 -4.8780 -4.8777 -3.1245 -3.1216 -3.0143 -3.0069 -2.9553 -2.9543 -2.4340 -2.4293 -0.5399 -0.5377 -0.2554 -0.2549 -0.1481 -0.1476 0.1744 0.1826 0.7695 0.7697 0.8878 0.9042 0.9580 0.9718 1.0814 1.0816 1.4593 1.4645 1.9284 1.9332 2.2196 2.2247 2.3706 2.3813 8.9341 8.9342 11.6295 11.6476 11.8049 11.8085 11.8292 11.8301 12.6151 12.6204 k = 0.0000 0.0000 0.2120 ( 4150 PWs) bands (ev): -16.8465 -16.8465 -15.9475 -15.9474 -14.9967 -14.9966 -14.7913 -14.7892 -14.7649 -14.7605 -14.7271 -14.7247 -6.5266 -6.5265 -4.8076 -4.8072 -3.1487 -3.1460 -3.0281 -3.0207 -2.9662 -2.9648 -2.4098 -2.4053 -0.5350 -0.5328 -0.2423 -0.2418 -0.1393 -0.1390 0.1945 0.2032 0.7389 0.7389 0.8759 0.8918 0.9549 0.9680 1.0444 1.0452 1.4431 1.4482 1.9454 1.9506 2.2358 2.2406 2.3798 2.3904 9.0022 9.0022 11.6259 11.6424 11.7818 11.7831 11.7864 11.7889 12.6567 12.6622 k = 0.0000 0.0000 0.2272 ( 4168 PWs) bands (ev): -16.8311 -16.8311 -15.9844 -15.9843 -14.9732 -14.9731 -14.7909 -14.7887 -14.7661 -14.7617 -14.7260 -14.7238 -6.5665 -6.5665 -4.7374 -4.7371 -3.1746 -3.1721 -3.0410 -3.0336 -2.9776 -2.9759 -2.3862 -2.3820 -0.5283 -0.5260 -0.2302 -0.2297 -0.1305 -0.1304 0.2151 0.2241 0.7082 0.7083 0.8631 0.8782 0.9517 0.9641 1.0076 1.0092 1.4272 1.4320 1.9634 1.9689 2.2518 2.2563 2.3872 2.3978 9.0739 9.0740 11.6147 11.6270 11.7414 11.7467 11.7663 11.7683 12.6989 12.7044 k = 0.0000 0.0000 0.2423 ( 4162 PWs) bands (ev): -16.8147 -16.8146 -16.0211 -16.0210 -14.9509 -14.9508 -14.7905 -14.7882 -14.7673 -14.7629 -14.7249 -14.7228 -6.6042 -6.6041 -4.6676 -4.6673 -3.2020 -3.1997 -3.0530 -3.0455 -2.9893 -2.9872 -2.3633 -2.3593 -0.5198 -0.5174 -0.2190 -0.2186 -0.1221 -0.1220 0.2360 0.2452 0.6782 0.6783 0.8491 0.8629 0.9486 0.9602 0.9714 0.9743 1.4117 1.4162 1.9822 1.9880 2.2675 2.2717 2.3927 2.4032 9.1491 9.1492 11.5845 11.5909 11.7190 11.7310 11.7463 11.7472 12.7413 12.7468 k = 0.0000 0.0000 0.2574 ( 4162 PWs) bands (ev): -16.7973 -16.7972 -16.0574 -16.0573 -14.9299 -14.9298 -14.7900 -14.7876 -14.7685 -14.7641 -14.7239 -14.7220 -6.6396 -6.6395 -4.5982 -4.5979 -3.2312 -3.2291 -3.0639 -3.0565 -3.0012 -2.9986 -2.3413 -2.3375 -0.5094 -0.5070 -0.2089 -0.2084 -0.1145 -0.1140 0.2568 0.2661 0.6495 0.6497 0.8337 0.8456 0.9362 0.9409 0.9458 0.9565 1.3969 1.4011 2.0017 2.0079 2.2827 2.2867 2.3963 2.4066 9.2276 9.2276 11.5335 11.5362 11.7141 11.7260 11.7293 11.7336 12.7835 12.7889 k = 0.0000 0.0000 0.2726 ( 4174 PWs) bands (ev): -16.7789 -16.7788 -16.0935 -16.0933 -14.9102 -14.9102 -14.7895 -14.7870 -14.7697 -14.7653 -14.7230 -14.7212 -6.6725 -6.6725 -4.5294 -4.5291 -3.2622 -3.2603 -3.0739 -3.0665 -3.0131 -3.0101 -2.3202 -2.3166 -0.4972 -0.4948 -0.1999 -0.1994 -0.1079 -0.1071 0.2773 0.2866 0.6229 0.6233 0.8164 0.8257 0.9026 0.9098 0.9431 0.9529 1.3828 1.3866 2.0219 2.0285 2.2971 2.3009 2.3979 2.4081 9.3089 9.3090 11.4700 11.4711 11.7012 11.7050 11.7332 11.7467 12.8253 12.8304 k = 0.0000 0.0000 0.2877 ( 4186 PWs) bands (ev): -16.7595 -16.7594 -16.1291 -16.1290 -14.8920 -14.8919 -14.7890 -14.7863 -14.7708 -14.7665 -14.7221 -14.7204 -6.7031 -6.7030 -4.4613 -4.4610 -3.2949 -3.2933 -3.0829 -3.0755 -3.0248 -3.0214 -2.3001 -2.2969 -0.4833 -0.4807 -0.1919 -0.1914 -0.1028 -0.1016 0.2973 0.3063 0.5992 0.6001 0.7966 0.8025 0.8712 0.8815 0.9406 0.9496 1.3696 1.3731 2.0427 2.0496 2.3108 2.3144 2.3975 2.4076 9.3930 9.3931 11.3993 11.3998 11.6820 11.6845 11.7511 11.7664 12.8662 12.8709 k = 0.0000 0.0000 0.3029 ( 4186 PWs) bands (ev): -16.7392 -16.7391 -16.1644 -16.1643 -14.8752 -14.8751 -14.7884 -14.7857 -14.7719 -14.7676 -14.7213 -14.7198 -6.7312 -6.7311 -4.3939 -4.3936 -3.3296 -3.3281 -3.0908 -3.0834 -3.0362 -3.0324 -2.2813 -2.2783 -0.4675 -0.4649 -0.1850 -0.1845 -0.0998 -0.0982 0.3164 0.3247 0.5794 0.5810 0.7735 0.7761 0.8429 0.8564 0.9385 0.9465 1.3574 1.3605 2.0639 2.0711 2.3235 2.3269 2.3952 2.4051 9.4796 9.4796 11.3238 11.3239 11.6628 11.6647 11.7752 11.7910 12.9059 12.9073 k = 0.0000 0.0000 0.3180 ( 4186 PWs) bands (ev): -16.7180 -16.7179 -16.1992 -16.1991 -14.8599 -14.8598 -14.7879 -14.7850 -14.7730 -14.7687 -14.7205 -14.7191 -6.7568 -6.7567 -4.3273 -4.3270 -3.3661 -3.3649 -3.0977 -3.0904 -3.0471 -3.0430 -2.2638 -2.2611 -0.4501 -0.4474 -0.1791 -0.1786 -0.0993 -0.0973 0.3342 0.3415 0.5644 0.5672 0.7470 0.7472 0.8179 0.8338 0.9366 0.9438 1.3462 1.3489 2.0855 2.0931 2.3351 2.3385 2.3910 2.4007 9.5684 9.5684 11.2443 11.2444 11.6446 11.6461 11.8039 11.8199 12.8462 12.8580 k = 0.0000 0.0000 0.3332 ( 4210 PWs) bands (ev): -16.6958 -16.6957 -16.2336 -16.2335 -14.8460 -14.8460 -14.7872 -14.7843 -14.7740 -14.7698 -14.7198 -14.7186 -6.7798 -6.7797 -4.2617 -4.2614 -3.4046 -3.4036 -3.1036 -3.0963 -3.0575 -3.0531 -2.2478 -2.2453 -0.4310 -0.4282 -0.1741 -0.1736 -0.1020 -0.0995 0.3506 0.3566 0.5550 0.5593 0.7164 0.7182 0.7956 0.8129 0.9351 0.9414 1.3361 1.3385 2.1074 2.1152 2.3455 2.3490 2.3851 2.3944 9.6591 9.6591 11.1614 11.1616 11.6275 11.6287 11.8367 11.8528 12.7722 12.7842 k = 0.0000 0.0000 0.3483 ( 4204 PWs) bands (ev): -16.6728 -16.6727 -16.2674 -16.2673 -14.8338 -14.8338 -14.7866 -14.7836 -14.7750 -14.7709 -14.7192 -14.7181 -6.8002 -6.8001 -4.1971 -4.1968 -3.4451 -3.4442 -3.1084 -3.1011 -3.0673 -3.0625 -2.2333 -2.2311 -0.4104 -0.4076 -0.1700 -0.1695 -0.1081 -0.1052 0.3658 0.3700 0.5516 0.5578 0.6850 0.6879 0.7749 0.7929 0.9339 0.9393 1.3271 1.3291 2.1293 2.1375 2.3542 2.3584 2.3780 2.3863 9.7515 9.7516 11.0758 11.0761 11.6119 11.6129 11.8735 11.8895 12.6987 12.7110 k = 0.0000 0.0000 0.3634 ( 4216 PWs) bands (ev): -16.6488 -16.6488 -16.3008 -16.3007 -14.8231 -14.8231 -14.7859 -14.7828 -14.7760 -14.7719 -14.7186 -14.7177 -6.8179 -6.8179 -4.1336 -4.1334 -3.4874 -3.4867 -3.1121 -3.1050 -3.0764 -3.0713 -2.2205 -2.2186 -0.3884 -0.3855 -0.1667 -0.1662 -0.1178 -0.1146 0.3801 0.3825 0.5540 0.5621 0.6536 0.6570 0.7551 0.7734 0.9330 0.9376 1.3193 1.3210 2.1513 2.1597 2.3586 2.3665 2.3722 2.3763 9.8454 9.8455 10.9878 10.9880 11.5979 11.5987 11.9139 11.9298 12.6262 12.6388 k = 0.0000 0.0000 0.3786 ( 4204 PWs) bands (ev): -16.6240 -16.6239 -16.3335 -16.3334 -14.8141 -14.8141 -14.7851 -14.7820 -14.7769 -14.7730 -14.7181 -14.7174 -6.8330 -6.8329 -4.0713 -4.0711 -3.5317 -3.5312 -3.1148 -3.1077 -3.0846 -3.0793 -2.2094 -2.2078 -0.3652 -0.3622 -0.1642 -0.1636 -0.1312 -0.1277 0.3943 0.3952 0.5613 0.5715 0.6226 0.6264 0.7357 0.7539 0.9324 0.9361 1.3127 1.3140 2.1731 2.1818 2.3522 2.3647 2.3735 2.3743 9.9405 9.9405 10.8975 10.8978 11.5859 11.5865 11.9578 11.9736 12.5549 12.5678 k = 0.0000 0.0000 0.3937 ( 4204 PWs) bands (ev): -16.5984 -16.5983 -16.3657 -16.3656 -14.8067 -14.8066 -14.7843 -14.7812 -14.7777 -14.7740 -14.7177 -14.7171 -6.8453 -6.8453 -4.0103 -4.0101 -3.5779 -3.5775 -3.1164 -3.1094 -3.0920 -3.0864 -2.2001 -2.1989 -0.3409 -0.3378 -0.1626 -0.1616 -0.1480 -0.1439 0.4090 0.4094 0.5724 0.5846 0.5924 0.5967 0.7165 0.7344 0.9320 0.9350 1.3072 1.3082 2.1947 2.2036 2.3403 2.3516 2.3792 2.3793 10.0365 10.0366 10.8055 10.8057 11.5758 11.5763 12.0051 12.0206 12.4850 12.4983 k = 0.0000 0.0000 0.4089 ( 4192 PWs) bands (ev): -16.5719 -16.5718 -16.3972 -16.3971 -14.8010 -14.8009 -14.7834 -14.7804 -14.7786 -14.7749 -14.7174 -14.7169 -6.8550 -6.8550 -3.9507 -3.9506 -3.6259 -3.6256 -3.1170 -3.1101 -3.0986 -3.0927 -2.1928 -2.1919 -0.3158 -0.3127 -0.1677 -0.1665 -0.1601 -0.1581 0.4246 0.4261 0.5633 0.5662 0.5882 0.6004 0.6973 0.7148 0.9318 0.9340 1.3030 1.3037 2.2158 2.2250 2.3262 2.3369 2.3835 2.3838 10.1332 10.1333 10.7118 10.7121 11.5679 11.5682 12.0556 12.0709 12.4169 12.4305 k = 0.0000 0.0000 0.4240 ( 4192 PWs) bands (ev): -16.5447 -16.5446 -16.4281 -16.4280 -14.7969 -14.7968 -14.7825 -14.7795 -14.7793 -14.7759 -14.7171 -14.7168 -6.8619 -6.8619 -3.8925 -3.8924 -3.6758 -3.6756 -3.1165 -3.1097 -3.1041 -3.0980 -2.1875 -2.1869 -0.2902 -0.2870 -0.1898 -0.1868 -0.1591 -0.1588 0.4424 0.4446 0.5355 0.5389 0.6040 0.6179 0.6781 0.6951 0.9318 0.9333 1.3000 1.3004 2.2364 2.2458 2.3105 2.3209 2.3867 2.3870 10.2302 10.2303 10.6169 10.6171 11.5621 11.5624 12.1092 12.1243 12.3506 12.3646 k = 0.0000 0.0000 0.4392 ( 4204 PWs) bands (ev): -16.5166 -16.5166 -16.4583 -16.4583 -14.7945 -14.7945 -14.7816 -14.7801 -14.7787 -14.7769 -14.7169 -14.7168 -6.8660 -6.8660 -3.8358 -3.8358 -3.7275 -3.7273 -3.1149 -3.1087 -3.1083 -3.1025 -2.1843 -2.1840 -0.2643 -0.2611 -0.2136 -0.2104 -0.1585 -0.1585 0.4625 0.4653 0.5093 0.5126 0.6216 0.6365 0.6589 0.6754 0.9320 0.9327 1.2982 1.2984 2.2563 2.2660 2.2935 2.3037 2.3887 2.3888 10.3274 10.3275 10.5210 10.5212 11.5587 11.5588 12.1656 12.1804 12.2865 12.3008 k = 0.0000 0.0000 0.4543 ( 4198 PWs) bands (ev): -16.4879 -16.4879 -16.4878 -16.4878 -14.7937 -14.7937 -14.7808 -14.7808 -14.7778 -14.7778 -14.7168 -14.7168 -6.8674 -6.8674 -3.7808 -3.7808 -3.7808 -3.7808 -3.1123 -3.1123 -3.1059 -3.1059 -2.1831 -2.1831 -0.2386 -0.2386 -0.2354 -0.2354 -0.1583 -0.1583 0.4849 0.4849 0.4880 0.4880 0.6400 0.6400 0.6558 0.6558 0.9323 0.9323 1.2977 1.2977 2.2754 2.2754 2.2853 2.2853 2.3894 2.3894 10.4244 10.4244 10.4246 10.4246 11.5576 11.5576 12.2248 12.2248 12.2394 12.2394 k = 0.0000 0.0000 0.4543 ( 4198 PWs) bands (ev): -16.4879 -16.4879 -16.4878 -16.4878 -14.7937 -14.7937 -14.7808 -14.7808 -14.7778 -14.7778 -14.7168 -14.7168 -6.8674 -6.8674 -3.7808 -3.7808 -3.7808 -3.7808 -3.1123 -3.1123 -3.1059 -3.1059 -2.1831 -2.1831 -0.2386 -0.2386 -0.2354 -0.2354 -0.1583 -0.1583 0.4849 0.4849 0.4880 0.4880 0.6400 0.6400 0.6558 0.6558 0.9323 0.9323 1.2977 1.2977 2.2754 2.2754 2.2853 2.2853 2.3894 2.3894 10.4244 10.4244 10.4246 10.4246 11.5576 11.5576 12.2248 12.2248 12.2394 12.2394 k = 0.0135 0.0078 0.4543 ( 4208 PWs) bands (ev): -16.4877 -16.4876 -16.4873 -16.4872 -14.7944 -14.7934 -14.7817 -14.7809 -14.7782 -14.7780 -14.7170 -14.7169 -6.8660 -6.8660 -3.7826 -3.7823 -3.7815 -3.7809 -3.1113 -3.1113 -3.1049 -3.1048 -2.1835 -2.1834 -0.2399 -0.2399 -0.2368 -0.2364 -0.1580 -0.1577 0.4819 0.4825 0.4859 0.4860 0.6429 0.6430 0.6587 0.6588 0.9328 0.9335 1.2979 1.2984 2.2743 2.2751 2.2846 2.2846 2.3887 2.3894 10.4257 10.4258 10.4260 10.4262 11.5587 11.5589 12.2246 12.2257 12.2397 12.2397 k = 0.0270 0.0156 0.4543 ( 4208 PWs) bands (ev): -16.4872 -16.4872 -16.4856 -16.4855 -14.7954 -14.7936 -14.7840 -14.7831 -14.7790 -14.7780 -14.7174 -14.7172 -6.8617 -6.8617 -3.7877 -3.7870 -3.7831 -3.7818 -3.1084 -3.1083 -3.1020 -3.1017 -2.1847 -2.1845 -0.2437 -0.2436 -0.2406 -0.2398 -0.1565 -0.1560 0.4744 0.4759 0.4796 0.4805 0.6509 0.6517 0.6669 0.6674 0.9350 0.9365 1.2992 1.3001 2.2718 2.2733 2.2825 2.2828 2.3875 2.3888 10.4296 10.4298 10.4308 10.4312 11.5623 11.5625 12.2249 12.2274 12.2405 12.2410 k = 0.0405 0.0234 0.4543 ( 4200 PWs) bands (ev): -16.4865 -16.4864 -16.4827 -16.4827 -14.7968 -14.7943 -14.7881 -14.7874 -14.7794 -14.7775 -14.7181 -14.7177 -6.8547 -6.8546 -3.7959 -3.7949 -3.7855 -3.7836 -3.1037 -3.1033 -3.0971 -3.0965 -2.1866 -2.1863 -0.2501 -0.2500 -0.2465 -0.2455 -0.1540 -0.1533 0.4636 0.4665 0.4702 0.4723 0.6625 0.6649 0.6790 0.6808 0.9390 0.9412 1.3014 1.3028 2.2675 2.2699 2.2790 2.2800 2.3856 2.3875 10.4360 10.4363 10.4389 10.4394 11.5682 11.5686 12.2258 12.2298 12.2415 12.2433 k = 0.0541 0.0312 0.4543 ( 4198 PWs) bands (ev): -16.4854 -16.4853 -16.4788 -16.4787 -14.7991 -14.7965 -14.7931 -14.7930 -14.7796 -14.7769 -14.7190 -14.7185 -6.8448 -6.8448 -3.8072 -3.8058 -3.7887 -3.7862 -3.0973 -3.0965 -3.0904 -3.0892 -2.1892 -2.1888 -0.2591 -0.2588 -0.2543 -0.2532 -0.1505 -0.1496 0.4509 0.4555 0.4589 0.4626 0.6764 0.6809 0.6939 0.6977 0.9449 0.9477 1.3046 1.3064 2.2613 2.2647 2.2745 2.2764 2.3832 2.3856 10.4449 10.4453 10.4502 10.4508 11.5765 11.5770 12.2270 12.2334 12.2427 12.2470 k = 0.0676 0.0390 0.4543 ( 4186 PWs) bands (ev): -16.4841 -16.4839 -16.4737 -16.4736 -14.8045 -14.8035 -14.7976 -14.7955 -14.7795 -14.7763 -14.7201 -14.7195 -6.8322 -6.8321 -3.8213 -3.8197 -3.7925 -3.7895 -3.0897 -3.0883 -3.0816 -3.0799 -2.1926 -2.1921 -0.2706 -0.2701 -0.2640 -0.2629 -0.1459 -0.1450 0.4371 0.4429 0.4474 0.4524 0.6915 0.6986 0.7109 0.7171 0.9526 0.9560 1.3086 1.3109 2.2534 2.2576 2.2691 2.2720 2.3803 2.3831 10.4564 10.4569 10.4647 10.4654 11.5870 11.5877 12.2282 12.2384 12.2439 12.2521 k = 0.0811 0.0468 0.4543 ( 4190 PWs) bands (ev): -16.4825 -16.4823 -16.4675 -16.4674 -14.8138 -14.8134 -14.8001 -14.7972 -14.7793 -14.7758 -14.7214 -14.7207 -6.8168 -6.8168 -3.8380 -3.8362 -3.7969 -3.7934 -3.0809 -3.0790 -3.0709 -3.0687 -2.1966 -2.1961 -0.2843 -0.2835 -0.2755 -0.2746 -0.1404 -0.1395 0.4226 0.4292 0.4369 0.4426 0.7071 0.7163 0.7300 0.7383 0.9621 0.9661 1.3133 1.3160 2.2438 2.2487 2.2626 2.2665 2.3770 2.3800 10.4703 10.4709 10.4824 10.4833 11.5998 11.6006 12.2291 12.2441 12.2457 12.2589 k = 0.0946 0.0546 0.4543 ( 4190 PWs) bands (ev): -16.4806 -16.4803 -16.4602 -16.4601 -14.8255 -14.8252 -14.8022 -14.7990 -14.7792 -14.7754 -14.7229 -14.7221 -6.7988 -6.7987 -3.8572 -3.8553 -3.8017 -3.7978 -3.0712 -3.0688 -3.0583 -3.0556 -2.2015 -2.2008 -0.2998 -0.2989 -0.2889 -0.2881 -0.1339 -0.1330 0.4079 0.4147 0.4274 0.4334 0.7228 0.7335 0.7509 0.7606 0.9733 0.9778 1.3188 1.3219 2.2327 2.2383 2.2550 2.2598 2.3733 2.3766 10.4866 10.4873 10.5034 10.5044 11.6146 11.6155 12.2297 12.2452 12.2536 12.2675 k = 0.1081 0.0624 0.4543 ( 4186 PWs) bands (ev): -16.4784 -16.4781 -16.4518 -16.4517 -14.8390 -14.8387 -14.8044 -14.8009 -14.7790 -14.7751 -14.7246 -14.7237 -6.7782 -6.7781 -3.8787 -3.8766 -3.8070 -3.8027 -3.0608 -3.0581 -3.0438 -3.0408 -2.2070 -2.2062 -0.3170 -0.3158 -0.3040 -0.3033 -0.1264 -0.1255 0.3931 0.4000 0.4192 0.4254 0.7382 0.7497 0.7732 0.7838 0.9863 0.9912 1.3248 1.3282 2.2202 2.2264 2.2460 2.2517 2.3695 2.3728 10.5052 10.5060 10.5276 10.5287 11.6313 11.6325 12.2298 12.2453 12.2641 12.2782 k = 0.1216 0.0702 0.4543 ( 4190 PWs) bands (ev): -16.4760 -16.4757 -16.4423 -16.4422 -14.8541 -14.8539 -14.8066 -14.8031 -14.7789 -14.7748 -14.7264 -14.7254 -6.7551 -6.7550 -3.9023 -3.9001 -3.8125 -3.8080 -3.0498 -3.0469 -3.0276 -3.0245 -2.2132 -2.2123 -0.3354 -0.3341 -0.3207 -0.3200 -0.1179 -0.1171 0.3783 0.3852 0.4123 0.4185 0.7533 0.7652 0.7962 0.8073 1.0009 1.0060 1.3313 1.3351 2.2066 2.2132 2.2355 2.2421 2.3655 2.3688 10.5261 10.5270 10.5549 10.5562 11.6500 11.6513 12.2294 12.2448 12.2768 12.2910 k = 0.1351 0.0780 0.4543 ( 4190 PWs) bands (ev): -16.4733 -16.4730 -16.4317 -16.4316 -14.8709 -14.8707 -14.8089 -14.8053 -14.7788 -14.7747 -14.7284 -14.7273 -6.7295 -6.7294 -3.9277 -3.9255 -3.8183 -3.8135 -3.0385 -3.0354 -3.0101 -3.0068 -2.2201 -2.2191 -0.3550 -0.3535 -0.3388 -0.3380 -0.1084 -0.1078 0.3635 0.3704 0.4067 0.4129 0.7680 0.7802 0.8196 0.8311 1.0167 1.0221 1.3383 1.3423 2.1919 2.1990 2.2234 2.2309 2.3616 2.3648 10.5491 10.5502 10.5853 10.5867 11.6703 11.6718 12.2284 12.2438 12.2919 12.3062 k = 0.1486 0.0858 0.4543 ( 4184 PWs) bands (ev): -16.4705 -16.4701 -16.4201 -16.4199 -14.8892 -14.8890 -14.8113 -14.8077 -14.7788 -14.7746 -14.7305 -14.7293 -6.7016 -6.7015 -3.9549 -3.9526 -3.8242 -3.8192 -3.0270 -3.0237 -2.9913 -2.9879 -2.2276 -2.2265 -0.3753 -0.3737 -0.3581 -0.3573 -0.0981 -0.0975 0.3489 0.3557 0.4024 0.4086 0.7824 0.7946 0.8430 0.8547 1.0336 1.0392 1.3456 1.3499 2.1764 2.1839 2.2097 2.2179 2.3577 2.3607 10.5743 10.5754 10.6188 10.6203 11.6921 11.6939 12.2268 12.2421 12.3095 12.3238 k = 0.1622 0.0936 0.4543 ( 4180 PWs) bands (ev): -16.4674 -16.4670 -16.4075 -16.4073 -14.9090 -14.9087 -14.8138 -14.8102 -14.7789 -14.7747 -14.7327 -14.7314 -6.6714 -6.6713 -3.9837 -3.9814 -3.8301 -3.8250 -3.0153 -3.0118 -2.9714 -2.9680 -2.2358 -2.2346 -0.3962 -0.3945 -0.3785 -0.3774 -0.0868 -0.0862 0.3345 0.3412 0.3991 0.4053 0.7966 0.8088 0.8661 0.8781 1.0513 1.0569 1.3532 1.3577 2.1600 2.1679 2.1943 2.2033 2.3538 2.3568 10.6014 10.6027 10.6553 10.6569 11.7153 11.7173 12.2247 12.2399 12.3297 12.3441 k = 0.1757 0.1014 0.4543 ( 4176 PWs) bands (ev): -16.4641 -16.4637 -16.3938 -16.3936 -14.9301 -14.9298 -14.8164 -14.8128 -14.7791 -14.7749 -14.7349 -14.7336 -6.6391 -6.6390 -4.0140 -4.0117 -3.8360 -3.8308 -3.0036 -3.0000 -2.9507 -2.9472 -2.2446 -2.2433 -0.4174 -0.4156 -0.3995 -0.3983 -0.0746 -0.0741 0.3203 0.3268 0.3969 0.4030 0.8108 0.8229 0.8888 0.9009 1.0694 1.0752 1.3611 1.3658 2.1429 2.1513 2.1774 2.1871 2.3502 2.3529 10.6305 10.6319 10.6947 10.6964 11.7396 11.7419 12.2222 12.2372 12.3525 12.3670 k = 0.1892 0.1092 0.4543 ( 4180 PWs) bands (ev): -16.4607 -16.4603 -16.3791 -16.3789 -14.9526 -14.9522 -14.8190 -14.8156 -14.7793 -14.7752 -14.7372 -14.7358 -6.6048 -6.6047 -4.0457 -4.0434 -3.8419 -3.8366 -2.9920 -2.9883 -2.9291 -2.9257 -2.2539 -2.2526 -0.4388 -0.4369 -0.4211 -0.4197 -0.0615 -0.0610 0.3064 0.3127 0.3955 0.4016 0.8249 0.8370 0.9108 0.9230 1.0878 1.0937 1.3692 1.3741 2.1252 2.1340 2.1590 2.1694 2.3466 2.3491 10.6614 10.6629 10.7368 10.7386 11.7649 11.7675 12.2193 12.2342 12.3780 12.3925 k = 0.2027 0.1170 0.4543 ( 4192 PWs) bands (ev): -16.4572 -16.4567 -16.3635 -16.3633 -14.9762 -14.9758 -14.8218 -14.8184 -14.7796 -14.7755 -14.7394 -14.7380 -6.5686 -6.5684 -4.0786 -4.0763 -3.8476 -3.8423 -2.9806 -2.9768 -2.9071 -2.9036 -2.2639 -2.2624 -0.4602 -0.4582 -0.4428 -0.4413 -0.0477 -0.0470 0.2927 0.2989 0.3947 0.4007 0.8392 0.8513 0.9318 0.9441 1.1062 1.1121 1.3777 1.3826 2.1070 2.1161 2.1395 2.1504 2.3431 2.3455 10.6941 10.6957 10.7816 10.7835 11.7910 11.7938 12.2163 12.2309 12.4063 12.4208 k = 0.2162 0.1248 0.4543 ( 4192 PWs) bands (ev): -16.4535 -16.4531 -16.3469 -16.3467 -15.0009 -15.0006 -14.8247 -14.8214 -14.7800 -14.7760 -14.7417 -14.7402 -6.5306 -6.5304 -4.1127 -4.1105 -3.8531 -3.8478 -2.9694 -2.9656 -2.8846 -2.8812 -2.2742 -2.2727 -0.4813 -0.4792 -0.4646 -0.4629 -0.0331 -0.0323 0.2795 0.2854 0.3945 0.4004 0.8536 0.8657 0.9517 0.9641 1.1242 1.1303 1.3864 1.3913 2.0881 2.0974 2.1192 2.1304 2.3397 2.3419 10.7284 10.7301 10.8290 10.8310 11.8177 11.8208 12.2132 12.2275 12.4371 12.4516 k = 0.2297 0.1326 0.4543 ( 4194 PWs) bands (ev): -16.4498 -16.4493 -16.3295 -16.3292 -15.0267 -15.0263 -14.8276 -14.8244 -14.7805 -14.7766 -14.7439 -14.7424 -6.4910 -6.4908 -4.1478 -4.1456 -3.8584 -3.8532 -2.9586 -2.9547 -2.8618 -2.8585 -2.2851 -2.2834 -0.5021 -0.4998 -0.4861 -0.4843 -0.0179 -0.0168 0.2667 0.2723 0.3946 0.4005 0.8683 0.8805 0.9703 0.9827 1.1418 1.1481 1.3955 1.4004 2.0686 2.0778 2.0985 2.1097 2.3364 2.3384 10.7643 10.7660 10.8787 10.8808 11.8447 11.8480 12.2104 12.2243 12.4703 12.4848 k = 0.2432 0.1404 0.4543 ( 4182 PWs) bands (ev): -16.4460 -16.4455 -16.3111 -16.3108 -15.0533 -15.0530 -14.8305 -14.8274 -14.7810 -14.7773 -14.7460 -14.7446 -6.4499 -6.4497 -4.1839 -4.1818 -3.8635 -3.8584 -2.9480 -2.9441 -2.8389 -2.8357 -2.2963 -2.2945 -0.5224 -0.5200 -0.5072 -0.5052 -0.0021 -0.0008 0.2545 0.2597 0.3950 0.4007 0.8831 0.8954 0.9874 0.9999 1.1588 1.1654 1.4051 1.4099 2.0483 2.0567 2.0784 2.0889 2.3332 2.3350 10.8015 10.8034 10.9307 10.9328 11.8719 11.8754 12.2080 12.2215 12.5058 12.5202 k = 0.2568 0.1482 0.4543 ( 4186 PWs) bands (ev): -16.4421 -16.4416 -16.2919 -16.2917 -15.0808 -15.0805 -14.8336 -14.8306 -14.7816 -14.7780 -14.7481 -14.7467 -6.4075 -6.4073 -4.2209 -4.2189 -3.8683 -3.8633 -2.9378 -2.9339 -2.8161 -2.8131 -2.3078 -2.3060 -0.5421 -0.5396 -0.5276 -0.5255 0.0140 0.0157 0.2430 0.2478 0.3954 0.4011 0.8980 0.9105 1.0029 1.0155 1.1751 1.1819 1.4152 1.4197 2.0270 2.0339 2.0591 2.0682 2.3300 2.3316 10.8401 10.8420 10.9847 10.9869 11.8991 11.9028 12.2062 12.2192 12.5429 12.5572 k = 0.2703 0.1560 0.4543 ( 4182 PWs) bands (ev): -16.4382 -16.4378 -16.2720 -16.2717 -15.1090 -15.1086 -14.8366 -14.8337 -14.7822 -14.7788 -14.7501 -14.7487 -6.3640 -6.3638 -4.2587 -4.2567 -3.8728 -3.8680 -2.9280 -2.9241 -2.7935 -2.7906 -2.3196 -2.3176 -0.5611 -0.5585 -0.5471 -0.5450 0.0303 0.0323 0.2325 0.2368 0.3960 0.4015 0.9127 0.9255 1.0169 1.0296 1.1904 1.1977 1.4258 1.4301 2.0046 2.0096 2.0409 2.0483 2.3267 2.3282 10.8797 10.8817 11.0405 11.0428 11.9261 11.9297 12.2054 12.2178 12.5812 12.5954 k = 0.2838 0.1638 0.4543 ( 4162 PWs) bands (ev): -16.4344 -16.4339 -16.2513 -16.2510 -15.1378 -15.1374 -14.8396 -14.8369 -14.7829 -14.7796 -14.7519 -14.7506 -6.3196 -6.3193 -4.2971 -4.2952 -3.8770 -3.8724 -2.9186 -2.9147 -2.7712 -2.7685 -2.3315 -2.3295 -0.5794 -0.5767 -0.5657 -0.5636 0.0462 0.0487 0.2233 0.2269 0.3965 0.4018 0.9270 0.9401 1.0293 1.0423 1.2050 1.2127 1.4370 1.4409 1.9811 1.9843 2.0237 2.0294 2.3236 2.3249 10.9203 10.9223 11.0980 11.1003 11.9525 11.9560 12.2059 12.2175 12.6199 12.6339 k = 0.2973 0.1716 0.4543 ( 4164 PWs) bands (ev): -16.4306 -16.4302 -16.2300 -16.2297 -15.1671 -15.1667 -14.8427 -14.8401 -14.7836 -14.7805 -14.7537 -14.7525 -6.2744 -6.2741 -4.3361 -4.3343 -3.8809 -3.8765 -2.9096 -2.9058 -2.7495 -2.7469 -2.3435 -2.3414 -0.5967 -0.5940 -0.5831 -0.5811 0.0612 0.0643 0.2160 0.2189 0.3969 0.4019 0.9405 0.9538 1.0406 1.0537 1.2186 1.2268 1.4487 1.4522 1.9565 1.9583 2.0072 2.0117 2.3204 2.3215 10.9616 10.9636 11.1568 11.1592 11.9780 11.9813 12.2079 12.2186 12.6577 12.6715 k = 0.3108 0.1794 0.4543 ( 4170 PWs) bands (ev): -16.4269 -16.4265 -16.2081 -16.2078 -15.1967 -15.1963 -14.8456 -14.8432 -14.7843 -14.7815 -14.7553 -14.7542 -6.2287 -6.2284 -4.3755 -4.3737 -3.8845 -3.8803 -2.9011 -2.8973 -2.7285 -2.7260 -2.3554 -2.3534 -0.6131 -0.6105 -0.5994 -0.5975 0.0745 0.0783 0.2113 0.2133 0.3973 0.4020 0.9524 0.9658 1.0512 1.0645 1.2313 1.2401 1.4608 1.4639 1.9312 1.9319 1.9915 1.9952 2.3172 2.3182 11.0034 11.0054 11.2168 11.2191 12.0024 12.0053 12.2118 12.2213 12.6932 12.7065 k = 0.3243 0.1872 0.4543 ( 4166 PWs) bands (ev): -16.4233 -16.4229 -16.1858 -16.1854 -15.2265 -15.2260 -14.8486 -14.8463 -14.7850 -14.7824 -14.7568 -14.7558 -6.1828 -6.1825 -4.4151 -4.4134 -3.8878 -3.8838 -2.8930 -2.8893 -2.7082 -2.7060 -2.3673 -2.3652 -0.6285 -0.6259 -0.6145 -0.6127 0.0850 0.0896 0.2101 0.2115 0.3975 0.4018 0.9623 0.9754 1.0618 1.0752 1.2433 1.2525 1.4732 1.4758 1.9055 1.9055 1.9767 1.9799 2.3141 2.3150 11.0454 11.0475 11.2775 11.2799 12.0252 12.0277 12.2179 12.2261 12.7244 12.7370 k = 0.3378 0.1951 0.4543 ( 4166 PWs) bands (ev): -16.4198 -16.4194 -16.1630 -16.1627 -15.2563 -15.2559 -14.8514 -14.8493 -14.7857 -14.7833 -14.7582 -14.7573 -6.1370 -6.1366 -4.4548 -4.4532 -3.8908 -3.8871 -2.8854 -2.8818 -2.6889 -2.6868 -2.3789 -2.3768 -0.6427 -0.6402 -0.6283 -0.6267 0.0917 0.0969 0.2133 0.2146 0.3975 0.4014 0.9693 0.9817 1.0733 1.0864 1.2543 1.2640 1.4859 1.4880 1.8791 1.8797 1.9627 1.9657 2.3110 2.3118 11.0873 11.0893 11.3388 11.3412 12.0461 12.0482 12.2263 12.2329 12.7491 12.7607 k = 0.3514 0.2029 0.4543 ( 4168 PWs) bands (ev): -16.4165 -16.4161 -16.1400 -16.1397 -15.2860 -15.2856 -14.8542 -14.8522 -14.7864 -14.7842 -14.7595 -14.7587 -6.0915 -6.0911 -4.4942 -4.4927 -3.8935 -3.8900 -2.8782 -2.8748 -2.6706 -2.6687 -2.3902 -2.3882 -0.6557 -0.6534 -0.6410 -0.6395 0.0943 0.0998 0.2211 0.2227 0.3974 0.4009 0.9732 0.9845 1.0860 1.0987 1.2646 1.2748 1.4985 1.5002 1.8531 1.8540 1.9496 1.9525 2.3080 2.3087 11.1288 11.1307 11.4002 11.4026 12.0646 12.0668 12.2370 12.2420 12.7655 12.7757 k = 0.3649 0.2107 0.4543 ( 4162 PWs) bands (ev): -16.4134 -16.4130 -16.1169 -16.1165 -15.3154 -15.3149 -14.8568 -14.8550 -14.7870 -14.7851 -14.7606 -14.7599 -6.0467 -6.0463 -4.5332 -4.5317 -3.8958 -3.8927 -2.8715 -2.8683 -2.6535 -2.6518 -2.4010 -2.3990 -0.6675 -0.6653 -0.6524 -0.6511 0.0936 0.0991 0.2330 0.2350 0.3971 0.4001 0.9738 0.9837 1.0999 1.1122 1.2742 1.2847 1.5110 1.5123 1.8276 1.8286 1.9376 1.9404 2.3051 2.3057 11.1694 11.1712 11.4614 11.4637 12.0808 12.0837 12.2497 12.2530 12.7727 12.7815 k = 0.3784 0.2185 0.4543 ( 4166 PWs) bands (ev): -16.4104 -16.4101 -16.0939 -16.0935 -15.3442 -15.3437 -14.8592 -14.8576 -14.7876 -14.7859 -14.7616 -14.7610 -6.0031 -6.0027 -4.5713 -4.5699 -3.8979 -3.8951 -2.8653 -2.8623 -2.6378 -2.6362 -2.4112 -2.4094 -0.6781 -0.6761 -0.6627 -0.6616 0.0906 0.0957 0.2477 0.2500 0.3967 0.3992 0.9714 0.9800 1.1146 1.1264 1.2829 1.2938 1.5232 1.5242 1.8029 1.8039 1.9267 1.9294 2.3023 2.3028 11.2086 11.2103 11.5218 11.5241 12.0949 12.0988 12.2637 12.2654 12.7715 12.7789 k = 0.3919 0.2263 0.4543 ( 4160 PWs) bands (ev): -16.4077 -16.4074 -16.0712 -16.0709 -15.3721 -15.3717 -14.8615 -14.8600 -14.7882 -14.7867 -14.7626 -14.7620 -5.9611 -5.9607 -4.6081 -4.6069 -3.8998 -3.8972 -2.8596 -2.8568 -2.6234 -2.6220 -2.4208 -2.4190 -0.6874 -0.6856 -0.6718 -0.6708 0.0864 0.0910 0.2640 0.2665 0.3962 0.3980 0.9667 0.9740 1.1297 1.1411 1.2909 1.3020 1.5350 1.5358 1.7791 1.7800 1.9168 1.9195 2.2996 2.3001 11.2460 11.2476 11.5808 11.5831 12.1076 12.1123 12.2780 12.2787 12.7637 12.7700 k = 0.4054 0.2341 0.4543 ( 4164 PWs) bands (ev): -16.4053 -16.4050 -16.0492 -16.0488 -15.3988 -15.3985 -14.8635 -14.8622 -14.7887 -14.7874 -14.7634 -14.7629 -5.9213 -5.9209 -4.6432 -4.6421 -3.9013 -3.8991 -2.8545 -2.8520 -2.6105 -2.6093 -2.4295 -2.4279 -0.6955 -0.6939 -0.6798 -0.6790 0.0816 0.0858 0.2809 0.2836 0.3954 0.3967 0.9603 0.9665 1.1447 1.1556 1.2982 1.3093 1.5462 1.5470 1.7564 1.7572 1.9082 1.9106 2.2972 2.2976 11.2809 11.2824 11.6378 11.6399 12.1193 12.1246 12.2911 12.2923 12.7516 12.7569 k = 0.4189 0.2419 0.4543 ( 4172 PWs) bands (ev): -16.4032 -16.4029 -16.0282 -16.0279 -15.4240 -15.4237 -14.8653 -14.8642 -14.7891 -14.7881 -14.7641 -14.7637 -5.8843 -5.8840 -4.6760 -4.6750 -3.9026 -3.9007 -2.8499 -2.8477 -2.5991 -2.5981 -2.4374 -2.4359 -0.7024 -0.7009 -0.6867 -0.6860 0.0768 0.0804 0.2976 0.3005 0.3943 0.3952 0.9529 0.9580 1.1590 1.1694 1.3047 1.3156 1.5567 1.5576 1.7351 1.7357 1.9006 1.9029 2.2950 2.2953 11.3129 11.3142 11.6918 11.6938 12.1304 12.1360 12.3026 12.3046 12.7373 12.7419 k = 0.4324 0.2497 0.4543 ( 4168 PWs) bands (ev): -16.4013 -16.4011 -16.0086 -16.0084 -15.4471 -15.4468 -14.8668 -14.8659 -14.7895 -14.7886 -14.7646 -14.7644 -5.8509 -5.8506 -4.7057 -4.7048 -3.9037 -3.9021 -2.8459 -2.8440 -2.5894 -2.5885 -2.4442 -2.4429 -0.7081 -0.7069 -0.6925 -0.6918 0.0724 0.0754 0.3136 0.3166 0.3928 0.3936 0.9452 0.9493 1.1724 1.1820 1.3105 1.3208 1.5667 1.5678 1.7152 1.7158 1.8943 1.8963 2.2930 2.2933 11.3413 11.3424 11.7416 11.7435 12.1412 12.1468 12.3118 12.3143 12.7227 12.7267 k = 0.4459 0.2575 0.4543 ( 4162 PWs) bands (ev): -16.3998 -16.3996 -15.9912 -15.9909 -15.4674 -15.4672 -14.8681 -14.8674 -14.7898 -14.7891 -14.7651 -14.7649 -5.8219 -5.8216 -4.7316 -4.7309 -3.9045 -3.9032 -2.8425 -2.8410 -2.5813 -2.5807 -2.4499 -2.4488 -0.7127 -0.7116 -0.6971 -0.6966 0.0686 0.0710 0.3282 0.3314 0.3907 0.3919 0.9378 0.9410 1.1844 1.1929 1.3157 1.3249 1.5761 1.5773 1.6972 1.6977 1.8892 1.8909 2.2914 2.2916 11.3655 11.3664 11.7860 11.7876 12.1517 12.1569 12.3182 12.3209 12.7093 12.7127 k = 0.4595 0.2653 0.4543 ( 4162 PWs) bands (ev): -16.3985 -16.3984 -15.9765 -15.9763 -15.4844 -15.4842 -14.8691 -14.8685 -14.7900 -14.7895 -14.7655 -14.7653 -5.7981 -5.7979 -4.7529 -4.7524 -3.9051 -3.9041 -2.8398 -2.8386 -2.5750 -2.5745 -2.4544 -2.4536 -0.7161 -0.7154 -0.7007 -0.7004 0.0655 0.0673 0.3412 0.3445 0.3881 0.3898 0.9313 0.9337 1.1945 1.2015 1.3202 1.3278 1.5849 1.5860 1.6813 1.6818 1.8853 1.8865 2.2901 2.2902 11.3850 11.3858 11.8233 11.8246 12.1616 12.1661 12.3215 12.3241 12.6983 12.7009 k = 0.4730 0.2731 0.4543 ( 4170 PWs) bands (ev): -16.3976 -16.3976 -15.9652 -15.9651 -15.4973 -15.4971 -14.8698 -14.8694 -14.7901 -14.7898 -14.7657 -14.7656 -5.7804 -5.7802 -4.7688 -4.7685 -3.9055 -3.9048 -2.8378 -2.8370 -2.5705 -2.5701 -2.4576 -2.4571 -0.7185 -0.7180 -0.7033 -0.7031 0.0633 0.0645 0.3521 0.3553 0.3850 0.3871 0.9264 0.9279 1.2025 1.2075 1.3240 1.3294 1.5927 1.5937 1.6682 1.6687 1.8825 1.8834 2.2891 2.2892 11.3994 11.3999 11.8517 11.8526 12.1703 12.1737 12.3225 12.3245 12.6903 12.6922 k = 0.4865 0.2809 0.4543 ( 4166 PWs) bands (ev): -16.3971 -16.3971 -15.9581 -15.9581 -15.5053 -15.5052 -14.8702 -14.8700 -14.7902 -14.7900 -14.7659 -14.7658 -5.7694 -5.7693 -4.7786 -4.7785 -3.9057 -3.9053 -2.8365 -2.8361 -2.5677 -2.5675 -2.4595 -2.4592 -0.7199 -0.7196 -0.7048 -0.7047 0.0621 0.0627 0.3606 0.3629 0.3821 0.3839 0.9233 0.9241 1.2080 1.2106 1.3269 1.3298 1.5987 1.5993 1.6591 1.6595 1.8810 1.8814 2.2886 2.2886 11.4082 11.4084 11.8696 11.8701 12.1768 12.1786 12.3223 12.3235 12.6857 12.6866 k = 0.5000 0.2887 0.4543 ( 4168 PWs) bands (ev): -16.3969 -16.3969 -15.9557 -15.9557 -15.5080 -15.5080 -14.8702 -14.8702 -14.7901 -14.7901 -14.7659 -14.7659 -5.7657 -5.7657 -4.7819 -4.7819 -3.9056 -3.9056 -2.8359 -2.8359 -2.5667 -2.5667 -2.4601 -2.4601 -0.7203 -0.7203 -0.7053 -0.7053 0.0618 0.0618 0.3650 0.3650 0.3814 0.3814 0.9226 0.9226 1.2108 1.2108 1.3289 1.3289 1.6013 1.6013 1.6559 1.6559 1.8806 1.8806 2.2884 2.2884 11.4112 11.4112 11.8759 11.8759 12.1798 12.1798 12.3225 12.3225 12.6845 12.6845 k = 0.5000 0.2887 0.4543 ( 4168 PWs) bands (ev): -16.3969 -16.3969 -15.9557 -15.9557 -15.5080 -15.5080 -14.8702 -14.8702 -14.7901 -14.7901 -14.7659 -14.7659 -5.7657 -5.7657 -4.7819 -4.7819 -3.9056 -3.9056 -2.8359 -2.8359 -2.5667 -2.5667 -2.4601 -2.4601 -0.7203 -0.7203 -0.7053 -0.7053 0.0618 0.0618 0.3650 0.3650 0.3814 0.3814 0.9226 0.9226 1.2108 1.2108 1.3289 1.3289 1.6013 1.6013 1.6559 1.6559 1.8806 1.8806 2.2884 2.2884 11.4112 11.4112 11.8759 11.8759 12.1798 12.1798 12.3225 12.3225 12.6845 12.6845 k = 0.4924 0.3018 0.4543 ( 4180 PWs) bands (ev): -16.3968 -16.3967 -15.9553 -15.9552 -15.5085 -15.5084 -14.8703 -14.8702 -14.7902 -14.7901 -14.7662 -14.7661 -5.7644 -5.7643 -4.7828 -4.7825 -3.9067 -3.9064 -2.8352 -2.8351 -2.5670 -2.5669 -2.4603 -2.4602 -0.7250 -0.7222 -0.7027 -0.6998 0.0603 0.0605 0.3652 0.3654 0.3820 0.3825 0.9200 0.9206 1.2127 1.2134 1.3294 1.3299 1.6016 1.6019 1.6555 1.6558 1.8803 1.8805 2.2869 2.2873 11.4111 11.4117 11.8771 11.8779 12.1805 12.1806 12.3228 12.3229 12.6837 12.6841 k = 0.4848 0.3149 0.4543 ( 4172 PWs) bands (ev): -16.3964 -16.3963 -15.9541 -15.9539 -15.5099 -15.5097 -14.8703 -14.8702 -14.7904 -14.7902 -14.7668 -14.7666 -5.7606 -5.7603 -4.7851 -4.7844 -3.9097 -3.9091 -2.8329 -2.8328 -2.5677 -2.5676 -2.4609 -2.4607 -0.7314 -0.7281 -0.6948 -0.6913 0.0561 0.0564 0.3659 0.3662 0.3845 0.3853 0.9133 0.9144 1.2188 1.2202 1.3315 1.3325 1.6026 1.6032 1.6548 1.6554 1.8797 1.8799 2.2829 2.2838 11.4115 11.4127 11.8816 11.8831 12.1829 12.1831 12.3238 12.3241 12.6818 12.6825 k = 0.4773 0.3280 0.4543 ( 4160 PWs) bands (ev): -16.3957 -16.3956 -15.9521 -15.9518 -15.5122 -15.5119 -14.8704 -14.8702 -14.7907 -14.7903 -14.7677 -14.7675 -5.7542 -5.7538 -4.7888 -4.7879 -3.9144 -3.9136 -2.8292 -2.8289 -2.5689 -2.5687 -2.4620 -2.4616 -0.7377 -0.7344 -0.6850 -0.6815 0.0492 0.0497 0.3672 0.3675 0.3885 0.3897 0.9029 0.9045 1.2287 1.2307 1.3351 1.3365 1.6045 1.6054 1.6536 1.6545 1.8786 1.8790 2.2765 2.2778 11.4124 11.4141 11.8892 11.8914 12.1869 12.1872 12.3256 12.3260 12.6789 12.6799 k = 0.4697 0.3412 0.4543 ( 4160 PWs) bands (ev): -16.3948 -16.3946 -15.9493 -15.9489 -15.5155 -15.5150 -14.8705 -14.8702 -14.7911 -14.7906 -14.7690 -14.7687 -5.7452 -5.7446 -4.7940 -4.7928 -3.9208 -3.9197 -2.8241 -2.8237 -2.5706 -2.5703 -2.4633 -2.4629 -0.7436 -0.7404 -0.6742 -0.6707 0.0399 0.0405 0.3689 0.3694 0.3940 0.3954 0.8895 0.8915 1.2417 1.2441 1.3401 1.3420 1.6072 1.6084 1.6520 1.6532 1.8772 1.8777 2.2676 2.2694 11.4137 11.4160 11.8999 11.9028 12.1925 12.1929 12.3281 12.3287 12.6749 12.6762 k = 0.4621 0.3543 0.4543 ( 4160 PWs) bands (ev): -16.3936 -16.3934 -15.9456 -15.9451 -15.5197 -15.5191 -14.8706 -14.8702 -14.7915 -14.7909 -14.7706 -14.7702 -5.7337 -5.7330 -4.8008 -4.7993 -3.9286 -3.9272 -2.8177 -2.8173 -2.5727 -2.5723 -2.4650 -2.4645 -0.7492 -0.7462 -0.6623 -0.6589 0.0283 0.0290 0.3712 0.3718 0.4007 0.4024 0.8739 0.8761 1.2569 1.2597 1.3465 1.3489 1.6107 1.6122 1.6499 1.6514 1.8754 1.8760 2.2564 2.2586 11.4156 11.4183 11.9136 11.9171 12.1995 12.2000 12.3312 12.3320 12.6699 12.6716 k = 0.4545 0.3674 0.4543 ( 4168 PWs) bands (ev): -16.3922 -16.3920 -15.9411 -15.9405 -15.5248 -15.5241 -14.8708 -14.8703 -14.7920 -14.7912 -14.7725 -14.7719 -5.7197 -5.7188 -4.8092 -4.8075 -3.9376 -3.9361 -2.8101 -2.8097 -2.5752 -2.5748 -2.4671 -2.4665 -0.7544 -0.7515 -0.6495 -0.6463 0.0149 0.0156 0.3741 0.3747 0.4084 0.4102 0.8565 0.8590 1.2739 1.2770 1.3542 1.3570 1.6150 1.6167 1.6475 1.6493 1.8732 1.8740 2.2429 2.2456 11.4181 11.4212 11.9301 11.9342 12.2080 12.2087 12.3350 12.3360 12.6641 12.6660 k = 0.4470 0.3805 0.4543 ( 4180 PWs) bands (ev): -16.3907 -16.3904 -15.9357 -15.9350 -15.5308 -15.5300 -14.8709 -14.8704 -14.7926 -14.7917 -14.7746 -14.7739 -5.7032 -5.7023 -4.8194 -4.8174 -3.9476 -3.9459 -2.8016 -2.8011 -2.5781 -2.5776 -2.4694 -2.4688 -0.7592 -0.7565 -0.6357 -0.6327 -0.0003 0.0004 0.3776 0.3783 0.4168 0.4188 0.8379 0.8406 1.2921 1.2955 1.3630 1.3663 1.6201 1.6220 1.6445 1.6466 1.8707 1.8717 2.2273 2.2304 11.4211 11.4245 11.9492 11.9538 12.2179 12.2186 12.3394 12.3406 12.6575 12.6598 k = 0.4394 0.3936 0.4543 ( 4172 PWs) bands (ev): -16.3889 -16.3887 -15.9294 -15.9286 -15.5378 -15.5370 -14.8711 -14.8705 -14.7932 -14.7922 -14.7768 -14.7761 -5.6844 -5.6833 -4.8314 -4.8291 -3.9582 -3.9564 -2.7922 -2.7916 -2.5814 -2.5808 -2.4720 -2.4713 -0.7636 -0.7612 -0.6209 -0.6181 -0.0170 -0.0164 0.3818 0.3826 0.4258 0.4278 0.8185 0.8213 1.3111 1.3148 1.3730 1.3767 1.6260 1.6281 1.6411 1.6435 1.8680 1.8692 2.2097 2.2132 11.4248 11.4285 11.9707 11.9758 12.2290 12.2299 12.3444 12.3459 12.6504 12.6529 k = 0.4318 0.4068 0.4543 ( 4172 PWs) bands (ev): -16.3871 -16.3868 -15.9222 -15.9213 -15.5458 -15.5449 -14.8713 -14.8707 -14.7938 -14.7927 -14.7792 -14.7783 -5.6633 -5.6621 -4.8453 -4.8428 -3.9693 -3.9674 -2.7822 -2.7815 -2.5850 -2.5844 -2.4748 -2.4740 -0.7678 -0.7656 -0.6052 -0.6027 -0.0351 -0.0346 0.3866 0.3875 0.4351 0.4372 0.7984 0.8013 1.3306 1.3345 1.3839 1.3880 1.6325 1.6349 1.6373 1.6400 1.8651 1.8664 2.1903 2.1942 11.4292 11.4329 11.9942 11.9998 12.2412 12.2422 12.3502 12.3520 12.6428 12.6455 k = 0.4242 0.4199 0.4543 ( 4176 PWs) bands (ev): -16.3851 -16.3849 -15.9140 -15.9131 -15.5548 -15.5538 -14.8716 -14.8709 -14.7945 -14.7933 -14.7816 -14.7807 -5.6400 -5.6386 -4.8612 -4.8586 -3.9805 -3.9785 -2.7716 -2.7709 -2.5889 -2.5883 -2.4778 -2.4769 -0.7716 -0.7697 -0.5886 -0.5863 -0.0543 -0.0539 0.3922 0.3932 0.4446 0.4467 0.7779 0.7809 1.3502 1.3544 1.3956 1.4000 1.6329 1.6357 1.6401 1.6425 1.8620 1.8636 2.1691 2.1735 11.4341 11.4380 12.0194 12.0253 12.2542 12.2555 12.3568 12.3589 12.6350 12.6379 k = 0.4167 0.4330 0.4543 ( 4172 PWs) bands (ev): -16.3832 -16.3829 -15.9049 -15.9039 -15.5648 -15.5637 -14.8719 -14.8712 -14.7952 -14.7939 -14.7839 -14.7829 -5.6145 -5.6131 -4.8793 -4.8765 -3.9916 -3.9895 -2.7606 -2.7600 -2.5931 -2.5925 -2.4809 -2.4800 -0.7752 -0.7735 -0.5710 -0.5691 -0.0746 -0.0743 0.3985 0.3997 0.4541 0.4562 0.7571 0.7603 1.3699 1.3742 1.4080 1.4127 1.6280 1.6313 1.6480 1.6506 1.8589 1.8607 2.1466 2.1513 11.4398 11.4436 12.0459 12.0521 12.2679 12.2693 12.3644 12.3669 12.6271 12.6303 k = 0.4091 0.4461 0.4543 ( 4174 PWs) bands (ev): -16.3812 -16.3809 -15.8948 -15.8937 -15.5757 -15.5746 -14.8723 -14.8716 -14.7959 -14.7945 -14.7863 -14.7852 -5.5870 -5.5854 -4.8995 -4.8967 -4.0022 -4.0002 -2.7495 -2.7488 -2.5975 -2.5969 -2.4840 -2.4831 -0.7786 -0.7771 -0.5526 -0.5510 -0.0958 -0.0957 0.4057 0.4070 0.4635 0.4656 0.7362 0.7395 1.3893 1.3938 1.4210 1.4258 1.6227 1.6263 1.6566 1.6591 1.8558 1.8580 2.1227 2.1278 11.4460 11.4497 12.0730 12.0795 12.2818 12.2835 12.3732 12.3762 12.6196 12.6229 k = 0.4015 0.4593 0.4543 ( 4178 PWs) bands (ev): -16.3793 -16.3790 -15.8838 -15.8826 -15.5877 -15.5865 -14.8727 -14.8720 -14.7967 -14.7951 -14.7885 -14.7873 -5.5575 -5.5559 -4.9220 -4.9191 -4.0123 -4.0103 -2.7382 -2.7375 -2.6022 -2.6016 -2.4872 -2.4863 -0.7817 -0.7804 -0.5334 -0.5321 -0.1178 -0.1178 0.4137 0.4151 0.4728 0.4748 0.7153 0.7186 1.4083 1.4130 1.4343 1.4392 1.6168 1.6208 1.6656 1.6681 1.8530 1.8555 2.0979 2.1033 11.4526 11.4563 12.1004 12.1071 12.2956 12.2974 12.3837 12.3871 12.6127 12.6161 k = 0.3939 0.4724 0.4543 ( 4178 PWs) bands (ev): -16.3774 -16.3771 -15.8717 -15.8705 -15.6007 -15.5995 -14.8731 -14.8724 -14.7974 -14.7957 -14.7905 -14.7892 -5.5262 -5.5244 -4.9468 -4.9439 -4.0215 -4.0197 -2.7270 -2.7264 -2.6071 -2.6066 -2.4904 -2.4895 -0.7846 -0.7835 -0.5134 -0.5124 -0.1407 -0.1404 0.4226 0.4242 0.4817 0.4837 0.6943 0.6977 1.4267 1.4316 1.4479 1.4528 1.6105 1.6148 1.6749 1.6772 1.8507 1.8536 2.0723 2.0781 11.4597 11.4632 12.1274 12.1342 12.3085 12.3105 12.3961 12.4000 12.6069 12.6105 k = 0.3864 0.4855 0.4543 ( 4170 PWs) bands (ev): -16.3756 -16.3754 -15.8586 -15.8574 -15.6147 -15.6135 -14.8735 -14.8729 -14.7980 -14.7963 -14.7924 -14.7910 -5.4932 -5.4913 -4.9739 -4.9710 -4.0298 -4.0281 -2.7160 -2.7154 -2.6122 -2.6117 -2.4934 -2.4925 -0.7872 -0.7863 -0.4926 -0.4919 -0.1641 -0.1636 0.4324 0.4341 0.4903 0.4922 0.6734 0.6768 1.4443 1.4493 1.4616 1.4665 1.6036 1.6083 1.6841 1.6862 1.8492 1.8524 2.0463 2.0524 11.4671 11.4702 12.1534 12.1602 12.3199 12.3221 12.4109 12.4152 12.6028 12.6064 k = 0.3788 0.4986 0.4543 ( 4166 PWs) bands (ev): -16.3740 -16.3738 -15.8445 -15.8432 -15.6297 -15.6284 -14.8740 -14.8734 -14.7987 -14.7968 -14.7940 -14.7925 -5.4585 -5.4566 -5.0033 -5.0004 -4.0371 -4.0356 -2.7053 -2.7047 -2.6174 -2.6170 -2.4962 -2.4954 -0.7895 -0.7888 -0.4712 -0.4708 -0.1879 -0.1873 0.4431 0.4450 0.4983 0.5002 0.6526 0.6560 1.4608 1.4660 1.4753 1.4800 1.5963 1.6013 1.6929 1.6947 1.8488 1.8525 2.0203 2.0266 11.4744 11.4773 12.1781 12.1847 12.3289 12.3313 12.4284 12.4331 12.6009 12.6046 k = 0.3712 0.5117 0.4543 ( 4166 PWs) bands (ev): -16.3726 -16.3724 -15.8293 -15.8281 -15.6456 -15.6443 -14.8744 -14.8739 -14.7993 -14.7973 -14.7953 -14.7937 -5.4224 -5.4203 -5.0349 -5.0320 -4.0432 -4.0419 -2.6950 -2.6944 -2.6228 -2.6225 -2.4988 -2.4981 -0.7916 -0.7910 -0.4492 -0.4492 -0.2121 -0.2113 0.4548 0.4569 0.5059 0.5076 0.6318 0.6353 1.4762 1.4812 1.4887 1.4933 1.5884 1.5939 1.7010 1.7023 1.8499 1.8542 1.9946 2.0010 11.4815 11.4840 12.2011 12.2074 12.3346 12.3371 12.4487 12.4536 12.6016 12.6052 k = 0.3636 0.5249 0.4543 ( 4174 PWs) bands (ev): -16.3714 -16.3712 -15.8132 -15.8119 -15.6625 -15.6612 -14.8748 -14.8744 -14.7998 -14.7978 -14.7965 -14.7947 -5.3848 -5.3827 -5.0686 -5.0659 -4.0482 -4.0471 -2.6852 -2.6846 -2.6284 -2.6282 -2.5011 -2.5005 -0.7933 -0.7929 -0.4270 -0.4267 -0.2365 -0.2355 0.4675 0.4697 0.5128 0.5144 0.6110 0.6146 1.4902 1.4948 1.5015 1.5061 1.5801 1.5859 1.7077 1.7087 1.8531 1.8578 1.9697 1.9762 11.4882 11.4902 12.2225 12.2283 12.3363 12.3388 12.4718 12.4768 12.6047 12.6084 k = 0.3561 0.5380 0.4543 ( 4176 PWs) bands (ev): -16.3704 -16.3703 -15.7960 -15.7947 -15.6802 -15.6790 -14.8751 -14.8748 -14.8002 -14.7981 -14.7973 -14.7955 -5.3460 -5.3438 -5.1045 -5.1018 -4.0519 -4.0511 -2.6760 -2.6755 -2.6341 -2.6340 -2.5029 -2.5024 -0.7947 -0.7944 -0.4043 -0.4038 -0.2609 -0.2597 0.4812 0.4835 0.5191 0.5206 0.5904 0.5939 1.5027 1.5064 1.5133 1.5183 1.5714 1.5776 1.7129 1.7135 1.8587 1.8638 1.9463 1.9527 11.4940 11.4956 12.2425 12.2476 12.3335 12.3361 12.4972 12.5023 12.6092 12.6128 k = 0.3485 0.5511 0.4543 ( 4176 PWs) bands (ev): -16.3697 -16.3696 -15.7778 -15.7766 -15.6989 -15.6976 -14.8754 -14.8752 -14.8006 -14.7984 -14.7979 -14.7960 -5.3061 -5.3038 -5.1423 -5.1397 -4.0545 -4.0540 -2.6675 -2.6671 -2.6401 -2.6399 -2.5043 -2.5040 -0.7958 -0.7956 -0.3814 -0.3807 -0.2853 -0.2838 0.4958 0.4983 0.5246 0.5260 0.5698 0.5733 1.5132 1.5155 1.5239 1.5298 1.5624 1.5688 1.7163 1.7166 1.8667 1.8722 1.9249 1.9310 11.4987 11.4997 12.2615 12.2658 12.3262 12.3288 12.5245 12.5296 12.6118 12.6153 k = 0.3409 0.5642 0.4543 ( 4192 PWs) bands (ev): -16.3692 -16.3692 -15.7587 -15.7574 -15.7183 -15.7171 -14.8755 -14.8754 -14.8008 -14.7985 -14.7983 -14.7963 -5.2652 -5.2629 -5.1819 -5.1795 -4.0560 -4.0557 -2.6598 -2.6595 -2.6462 -2.6459 -2.5052 -2.5050 -0.7964 -0.7963 -0.3585 -0.3577 -0.3092 -0.3074 0.5113 0.5140 0.5293 0.5307 0.5494 0.5528 1.5207 1.5214 1.5331 1.5403 1.5537 1.5597 1.7181 1.7182 1.8771 1.8829 1.9065 1.9118 11.5018 11.5024 12.2800 12.2835 12.3144 12.3172 12.5527 12.5582 12.6060 12.6094 k = 0.3333 0.5774 0.4543 ( 4200 PWs) bands (ev): -16.3691 -16.3691 -15.7399 -15.7374 -15.7372 -15.7372 -14.8755 -14.8755 -14.8009 -14.7985 -14.7985 -14.7963 -5.2257 -5.2210 -5.2210 -5.2210 -4.0564 -4.0564 -2.6542 -2.6542 -2.6515 -2.6505 -2.5054 -2.5054 -0.7966 -0.7966 -0.3405 -0.3405 -0.3277 -0.3247 0.5254 0.5304 0.5306 0.5306 0.5352 0.5352 1.5236 1.5236 1.5385 1.5487 1.5487 1.5514 1.7186 1.7186 1.8863 1.8948 1.8948 1.8967 11.5031 11.5031 12.2975 12.2992 12.2992 12.3032 12.5759 12.5850 12.5906 12.5906 k = 0.3333 0.5774 0.4543 ( 4200 PWs) bands (ev): -16.3691 -16.3691 -15.7399 -15.7374 -15.7372 -15.7372 -14.8755 -14.8755 -14.8009 -14.7985 -14.7985 -14.7963 -5.2257 -5.2210 -5.2210 -5.2210 -4.0564 -4.0564 -2.6542 -2.6542 -2.6515 -2.6505 -2.5054 -2.5054 -0.7966 -0.7966 -0.3405 -0.3405 -0.3277 -0.3247 0.5254 0.5304 0.5306 0.5306 0.5352 0.5352 1.5236 1.5236 1.5385 1.5487 1.5487 1.5514 1.7186 1.7186 1.8863 1.8948 1.8948 1.8967 11.5031 11.5031 12.2975 12.2992 12.2992 12.3032 12.5759 12.5850 12.5906 12.5906 k = 0.3256 0.5639 0.4543 ( 4186 PWs) bands (ev): -16.3692 -16.3692 -15.7600 -15.7587 -15.7169 -15.7158 -14.8755 -14.8754 -14.8008 -14.7985 -14.7983 -14.7963 -5.2674 -5.2651 -5.1797 -5.1774 -4.0560 -4.0557 -2.6598 -2.6592 -2.6465 -2.6460 -2.5051 -2.5049 -0.7964 -0.7963 -0.3591 -0.3578 -0.3089 -0.3069 0.5072 0.5107 0.5368 0.5373 0.5467 0.5488 1.5197 1.5215 1.5346 1.5396 1.5540 1.5589 1.7183 1.7183 1.8782 1.8832 1.9064 1.9108 11.5017 11.5022 12.2775 12.2806 12.3174 12.3196 12.5455 12.5509 12.6146 12.6185 k = 0.3178 0.5505 0.4543 ( 4178 PWs) bands (ev): -16.3697 -16.3696 -15.7821 -15.7809 -15.6945 -15.6933 -14.8753 -14.8751 -14.8006 -14.7983 -14.7980 -14.7960 -5.3128 -5.3107 -5.1355 -5.1331 -4.0546 -4.0540 -2.6667 -2.6658 -2.6415 -2.6411 -2.5041 -2.5037 -0.7956 -0.7954 -0.3822 -0.3806 -0.2850 -0.2829 0.4861 0.4895 0.5392 0.5397 0.5653 0.5677 1.5098 1.5148 1.5288 1.5290 1.5609 1.5661 1.7178 1.7179 1.8714 1.8751 1.9227 1.9271 11.4977 11.4987 12.2522 12.2557 12.3366 12.3382 12.5010 12.5064 12.6449 12.6492 k = 0.3101 0.5371 0.4543 ( 4182 PWs) bands (ev): -16.3706 -16.3704 -15.8048 -15.8036 -15.6710 -15.6699 -14.8750 -14.8746 -14.8002 -14.7979 -14.7975 -14.7955 -5.3595 -5.3576 -5.0908 -5.0884 -4.0523 -4.0514 -2.6740 -2.6728 -2.6376 -2.6373 -2.5023 -2.5017 -0.7942 -0.7940 -0.4048 -0.4031 -0.2608 -0.2586 0.4649 0.4682 0.5407 0.5411 0.5849 0.5873 1.4964 1.5035 1.5179 1.5215 1.5666 1.5715 1.7177 1.7180 1.8688 1.8713 1.9403 1.9446 11.4909 11.4924 12.2219 12.2259 12.3562 12.3572 12.4536 12.4593 12.6753 12.6799 k = 0.3023 0.5236 0.4543 ( 4190 PWs) bands (ev): -16.3717 -16.3715 -15.8280 -15.8269 -15.6468 -15.6456 -14.8744 -14.8739 -14.7996 -14.7974 -14.7969 -14.7949 -5.4075 -5.4057 -5.0456 -5.0432 -4.0492 -4.0479 -2.6815 -2.6801 -2.6349 -2.6346 -2.4997 -2.4988 -0.7922 -0.7919 -0.4266 -0.4247 -0.2366 -0.2343 0.4435 0.4467 0.5414 0.5417 0.6054 0.6078 1.4807 1.4878 1.5069 1.5118 1.5704 1.5749 1.7187 1.7191 1.8703 1.8717 1.9587 1.9628 11.4812 11.4832 12.1860 12.1905 12.3755 12.3761 12.4071 12.4132 12.7058 12.7106 k = 0.2946 0.5102 0.4543 ( 4182 PWs) bands (ev): -16.3731 -16.3729 -15.8517 -15.8506 -15.6217 -15.6206 -14.8737 -14.8730 -14.7990 -14.7967 -14.7961 -14.7942 -5.4565 -5.4548 -5.0002 -4.9978 -4.0452 -4.0437 -2.6893 -2.6876 -2.6333 -2.6332 -2.4961 -2.4951 -0.7894 -0.7891 -0.4473 -0.4454 -0.2126 -0.2102 0.4220 0.4251 0.5413 0.5414 0.6265 0.6288 1.4625 1.4686 1.4958 1.5006 1.5721 1.5760 1.7211 1.7216 1.8752 1.8756 1.9777 1.9815 11.4685 11.4709 12.1441 12.1489 12.3625 12.3684 12.3956 12.3957 12.7364 12.7414 k = 0.2868 0.4968 0.4543 ( 4184 PWs) bands (ev): -16.3749 -16.3746 -15.8758 -15.8748 -15.5958 -15.5947 -14.8727 -14.8719 -14.7982 -14.7958 -14.7952 -14.7932 -5.5064 -5.5048 -4.9545 -4.9522 -4.0406 -4.0387 -2.6973 -2.6954 -2.6331 -2.6331 -2.4917 -2.4905 -0.7859 -0.7856 -0.4668 -0.4648 -0.1887 -0.1862 0.4003 0.4033 0.5403 0.5404 0.6482 0.6504 1.4421 1.4467 1.4844 1.4886 1.5715 1.5748 1.7251 1.7259 1.8825 1.8829 1.9969 2.0005 11.4528 11.4555 12.0961 12.1010 12.3226 12.3287 12.4133 12.4135 12.7673 12.7726 k = 0.2791 0.4834 0.4543 ( 4176 PWs) bands (ev): -16.3770 -16.3766 -15.9002 -15.8992 -15.5692 -15.5682 -14.8716 -14.8706 -14.7973 -14.7947 -14.7942 -14.7921 -5.5570 -5.5556 -4.9089 -4.9065 -4.0353 -4.0331 -2.7057 -2.7035 -2.6343 -2.6343 -2.4864 -2.4851 -0.7816 -0.7812 -0.4849 -0.4828 -0.1651 -0.1626 0.3785 0.3814 0.5385 0.5388 0.6703 0.6723 1.4197 1.4227 1.4727 1.4761 1.5688 1.5713 1.7310 1.7319 1.8918 1.8928 2.0164 2.0196 11.4342 11.4371 12.0426 12.0474 12.2865 12.2925 12.4296 12.4299 12.7990 12.8045 k = 0.2713 0.4699 0.4543 ( 4174 PWs) bands (ev): -16.3793 -16.3789 -15.9249 -15.9239 -15.5420 -15.5410 -14.8702 -14.8691 -14.7964 -14.7934 -14.7932 -14.7908 -5.6083 -5.6069 -4.8633 -4.8610 -4.0294 -4.0270 -2.7143 -2.7119 -2.6369 -2.6369 -2.4803 -2.4787 -0.7765 -0.7760 -0.5014 -0.4993 -0.1417 -0.1392 0.3565 0.3592 0.5360 0.5365 0.6927 0.6943 1.3956 1.3973 1.4607 1.4633 1.5641 1.5660 1.7385 1.7395 1.9028 1.9044 2.0357 2.0387 11.4127 11.4158 11.9846 11.9892 12.2538 12.2595 12.4437 12.4440 12.8317 12.8374 k = 0.2636 0.4565 0.4543 ( 4174 PWs) bands (ev): -16.3819 -16.3815 -15.9497 -15.9488 -15.5142 -15.5132 -14.8687 -14.8674 -14.7954 -14.7921 -14.7919 -14.7893 -5.6600 -5.6588 -4.8178 -4.8156 -4.0230 -4.0203 -2.7232 -2.7205 -2.6410 -2.6408 -2.4733 -2.4716 -0.7704 -0.7699 -0.5163 -0.5141 -0.1187 -0.1162 0.3344 0.3370 0.5329 0.5335 0.7151 0.7164 1.3703 1.3709 1.4484 1.4503 1.5577 1.5591 1.7475 1.7486 1.9153 1.9172 2.0549 2.0577 11.3884 11.3917 11.9232 11.9275 12.2239 12.2292 12.4550 12.4553 12.8658 12.8716 k = 0.2558 0.4431 0.4543 ( 4166 PWs) bands (ev): -16.3848 -16.3844 -15.9746 -15.9737 -15.4858 -15.4849 -14.8670 -14.8656 -14.7944 -14.7910 -14.7902 -14.7876 -5.7121 -5.7110 -4.7726 -4.7704 -4.0161 -4.0132 -2.7323 -2.7295 -2.6466 -2.6463 -2.4654 -2.4636 -0.7634 -0.7629 -0.5293 -0.5272 -0.0960 -0.0935 0.3121 0.3145 0.5292 0.5300 0.7374 0.7383 1.3438 1.3441 1.4358 1.4371 1.5501 1.5508 1.7579 1.7590 1.9288 1.9309 2.0739 2.0765 11.3616 11.3649 11.8593 11.8634 12.1961 12.2009 12.4631 12.4634 12.9012 12.9073 k = 0.2481 0.4297 0.4543 ( 4166 PWs) bands (ev): -16.3879 -16.3875 -15.9995 -15.9987 -15.4570 -15.4561 -14.8652 -14.8636 -14.7934 -14.7899 -14.7883 -14.7858 -5.7644 -5.7633 -4.7277 -4.7256 -4.0089 -4.0056 -2.7418 -2.7388 -2.6536 -2.6532 -2.4568 -2.4549 -0.7555 -0.7549 -0.5404 -0.5383 -0.0736 -0.0712 0.2897 0.2920 0.5251 0.5260 0.7593 0.7597 1.3163 1.3174 1.4228 1.4236 1.5415 1.5417 1.7695 1.7706 1.9430 1.9454 2.0925 2.0949 11.3324 11.3358 11.7939 11.7977 12.1699 12.1743 12.4679 12.4681 12.9186 12.9216 k = 0.2403 0.4162 0.4543 ( 4168 PWs) bands (ev): -16.3913 -16.3908 -16.0244 -16.0236 -15.4278 -15.4270 -14.8632 -14.8614 -14.7923 -14.7888 -14.7863 -14.7838 -5.8167 -5.8158 -4.6833 -4.6812 -4.0013 -3.9978 -2.7516 -2.7484 -2.6621 -2.6616 -2.4475 -2.4454 -0.7465 -0.7459 -0.5495 -0.5474 -0.0516 -0.0493 0.2673 0.2695 0.5204 0.5215 0.7805 0.7805 1.2886 1.2903 1.4093 1.4097 1.5317 1.5321 1.7821 1.7832 1.9578 1.9603 2.1107 2.1129 11.3010 11.3044 11.7274 11.7310 12.1450 12.1491 12.4694 12.4696 12.8903 12.8917 k = 0.2326 0.4028 0.4543 ( 4172 PWs) bands (ev): -16.3948 -16.3943 -16.0492 -16.0484 -15.3983 -15.3975 -14.8610 -14.8591 -14.7913 -14.7876 -14.7841 -14.7816 -5.8691 -5.8683 -4.6393 -4.6373 -3.9933 -3.9896 -2.7617 -2.7583 -2.6720 -2.6714 -2.4375 -2.4354 -0.7365 -0.7359 -0.5565 -0.5544 -0.0299 -0.0278 0.2449 0.2469 0.5154 0.5167 0.8003 0.8009 1.2609 1.2631 1.3954 1.3955 1.5213 1.5222 1.7957 1.7967 1.9729 1.9756 2.1284 2.1304 11.2677 11.2710 11.6604 11.6638 12.1212 12.1248 12.4679 12.4681 12.8526 12.8559 k = 0.2248 0.3894 0.4543 ( 4180 PWs) bands (ev): -16.3985 -16.3980 -16.0737 -16.0730 -15.3686 -15.3678 -14.8587 -14.8567 -14.7902 -14.7865 -14.7817 -14.7793 -5.9213 -5.9205 -4.5958 -4.5940 -3.9851 -3.9812 -2.7721 -2.7685 -2.6834 -2.6826 -2.4269 -2.4248 -0.7254 -0.7247 -0.5614 -0.5593 -0.0086 -0.0066 0.2226 0.2244 0.5101 0.5114 0.8189 0.8201 1.2333 1.2359 1.3807 1.3810 1.5106 1.5119 1.8103 1.8112 1.9884 1.9911 2.1456 2.1475 11.2326 11.2359 11.5932 11.5965 12.0983 12.1015 12.4638 12.4639 12.8099 12.8149 k = 0.2171 0.3759 0.4543 ( 4172 PWs) bands (ev): -16.4024 -16.4018 -16.0980 -16.0974 -15.3386 -15.3379 -14.8563 -14.8542 -14.7892 -14.7854 -14.7793 -14.7768 -5.9733 -5.9726 -4.5529 -4.5512 -3.9767 -3.9726 -2.7828 -2.7791 -2.6960 -2.6951 -2.4159 -2.4136 -0.7132 -0.7125 -0.5641 -0.5621 0.0124 0.0142 0.2003 0.2020 0.5044 0.5059 0.8361 0.8379 1.2060 1.2089 1.3655 1.3661 1.4996 1.5014 1.8257 1.8266 2.0040 2.0067 2.1623 2.1640 11.1960 11.1993 11.5263 11.5294 12.0761 12.0789 12.4574 12.4574 12.7650 12.7714 k = 0.2093 0.3625 0.4543 ( 4176 PWs) bands (ev): -16.4064 -16.4058 -16.1220 -16.1214 -15.3086 -15.3079 -14.8538 -14.8516 -14.7881 -14.7842 -14.7766 -14.7742 -6.0248 -6.0242 -4.5107 -4.5091 -3.9681 -3.9637 -2.7939 -2.7900 -2.7100 -2.7090 -2.4043 -2.4021 -0.7000 -0.6992 -0.5646 -0.5626 0.0331 0.0347 0.1783 0.1799 0.4986 0.5001 0.8515 0.8540 1.1789 1.1822 1.3498 1.3507 1.4886 1.4909 1.8421 1.8428 2.0196 2.0223 2.1784 2.1800 11.1582 11.1614 11.4599 11.4628 12.0545 12.0569 12.4491 12.4491 12.7192 12.7269 k = 0.2016 0.3491 0.4543 ( 4176 PWs) bands (ev): -16.4105 -16.4100 -16.1457 -16.1451 -15.2786 -15.2779 -14.8513 -14.8489 -14.7871 -14.7832 -14.7739 -14.7715 -6.0759 -6.0753 -4.4691 -4.4677 -3.9593 -3.9548 -2.8052 -2.8012 -2.7252 -2.7240 -2.3925 -2.3902 -0.6856 -0.6847 -0.5629 -0.5610 0.0534 0.0549 0.1566 0.1579 0.4925 0.4941 0.8651 0.8682 1.1523 1.1559 1.3334 1.3346 1.4777 1.4804 1.8594 1.8600 2.0352 2.0379 2.1938 2.1954 11.1194 11.1225 11.3941 11.3970 12.0334 12.0353 12.4394 12.4394 12.6737 12.6825 k = 0.1938 0.3357 0.4543 ( 4172 PWs) bands (ev): -16.4147 -16.4142 -16.1688 -16.1683 -15.2487 -15.2480 -14.8486 -14.8461 -14.7862 -14.7821 -14.7711 -14.7688 -6.1263 -6.1258 -4.4283 -4.4270 -3.9504 -3.9457 -2.8170 -2.8129 -2.7414 -2.7401 -2.3804 -2.3781 -0.6701 -0.6692 -0.5591 -0.5572 0.0735 0.0748 0.1351 0.1364 0.4863 0.4880 0.8765 0.8803 1.1262 1.1301 1.3165 1.3179 1.4670 1.4701 1.8775 1.8780 2.0507 2.0533 2.2087 2.2102 11.0799 11.0828 11.3294 11.3321 12.0125 12.0139 12.4286 12.4286 12.6292 12.6390 k = 0.1860 0.3222 0.4543 ( 4168 PWs) bands (ev): -16.4190 -16.4184 -16.1915 -16.1910 -15.2189 -15.2183 -14.8459 -14.8433 -14.7852 -14.7811 -14.7682 -14.7659 -6.1760 -6.1755 -4.3882 -4.3871 -3.9414 -3.9365 -2.8290 -2.8248 -2.7587 -2.7572 -2.3681 -2.3659 -0.6536 -0.6526 -0.5532 -0.5514 0.0933 0.0944 0.1141 0.1153 0.4800 0.4817 0.8856 0.8901 1.1007 1.1048 1.2989 1.3006 1.4565 1.4599 1.8964 1.8969 2.0661 2.0686 2.2229 2.2244 11.0398 11.0426 11.2658 11.2684 11.9917 11.9926 12.4170 12.4170 12.5861 12.5968 k = 0.1783 0.3088 0.4543 ( 4166 PWs) bands (ev): -16.4233 -16.4228 -16.2136 -16.2132 -15.1894 -15.1888 -14.8432 -14.8404 -14.7843 -14.7802 -14.7652 -14.7630 -6.2248 -6.2244 -4.3489 -4.3479 -3.9324 -3.9273 -2.8414 -2.8372 -2.7768 -2.7751 -2.3557 -2.3536 -0.6360 -0.6349 -0.5453 -0.5436 0.0934 0.0942 0.1133 0.1140 0.4737 0.4753 0.8923 0.8974 1.0757 1.0801 1.2807 1.2827 1.4462 1.4501 1.9161 1.9166 2.0813 2.0837 2.2365 2.2380 10.9995 11.0022 11.2035 11.2061 11.9708 11.9713 12.4048 12.4049 12.5451 12.5566 k = 0.1705 0.2954 0.4543 ( 4162 PWs) bands (ev): -16.4277 -16.4271 -16.2352 -16.2347 -15.1602 -15.1596 -14.8404 -14.8375 -14.7835 -14.7793 -14.7622 -14.7600 -6.2727 -6.2724 -4.3103 -4.3095 -3.9232 -3.9181 -2.8542 -2.8499 -2.7956 -2.7938 -2.3433 -2.3412 -0.6174 -0.6163 -0.5356 -0.5340 0.0734 0.0742 0.1326 0.1331 0.4673 0.4689 0.8964 0.9022 1.0514 1.0560 1.2619 1.2641 1.4364 1.4405 1.9365 1.9370 2.0962 2.0985 2.2494 2.2510 10.9592 10.9618 11.1428 11.1453 11.9496 11.9497 12.3924 12.3926 12.5065 12.5186 k = 0.1628 0.2820 0.4543 ( 4162 PWs) bands (ev): -16.4320 -16.4315 -16.2561 -16.2557 -15.1314 -15.1309 -14.8376 -14.8346 -14.7827 -14.7785 -14.7591 -14.7570 -6.3195 -6.3192 -4.2726 -4.2719 -3.9141 -3.9089 -2.8673 -2.8629 -2.8150 -2.8130 -2.3311 -2.3290 -0.5979 -0.5967 -0.5241 -0.5226 0.0540 0.0546 0.1519 0.1521 0.4610 0.4626 0.8980 0.9044 1.0278 1.0326 1.2425 1.2450 1.4268 1.4312 1.9576 1.9581 2.1108 2.1130 2.2617 2.2633 10.9191 10.9215 11.0837 11.0861 11.9275 11.9280 12.3798 12.3802 12.4707 12.4833 k = 0.1550 0.2685 0.4543 ( 4166 PWs) bands (ev): -16.4364 -16.4358 -16.2763 -16.2759 -15.1032 -15.1027 -14.8348 -14.8317 -14.7820 -14.7777 -14.7561 -14.7541 -6.3652 -6.3649 -4.2357 -4.2352 -3.9050 -3.8997 -2.8807 -2.8763 -2.8348 -2.8327 -2.3189 -2.3170 -0.5776 -0.5763 -0.5110 -0.5096 0.0352 0.0357 0.1710 0.1710 0.4549 0.4563 0.8972 0.9040 1.0049 1.0100 1.2225 1.2253 1.4176 1.4223 1.9791 1.9797 2.1250 2.1271 2.2734 2.2751 10.8795 10.8817 11.0265 11.0288 11.9049 11.9059 12.3672 12.3679 12.4380 12.4508 k = 0.1473 0.2551 0.4543 ( 4162 PWs) bands (ev): -16.4406 -16.4401 -16.2958 -16.2954 -15.0756 -15.0751 -14.8320 -14.8288 -14.7813 -14.7770 -14.7530 -14.7511 -6.4095 -6.4092 -4.1997 -4.1994 -3.8959 -3.8905 -2.8945 -2.8900 -2.8550 -2.8527 -2.3070 -2.3051 -0.5565 -0.5552 -0.4964 -0.4951 0.0171 0.0175 0.1897 0.1900 0.4490 0.4502 0.8939 0.9011 0.9827 0.9880 1.2020 1.2051 1.4087 1.4135 2.0010 2.0017 2.1388 2.1408 2.2845 2.2863 10.8405 10.8426 10.9712 10.9735 11.8817 11.8830 12.3546 12.3558 12.4085 12.4212 k = 0.1395 0.2417 0.4543 ( 4158 PWs) bands (ev): -16.4448 -16.4443 -16.3145 -16.3142 -15.0487 -15.0483 -14.8292 -14.8260 -14.7807 -14.7764 -14.7500 -14.7481 -6.4524 -6.4521 -4.1646 -4.1644 -3.8869 -3.8815 -2.9085 -2.9041 -2.8752 -2.8728 -2.2954 -2.2936 -0.5348 -0.5334 -0.4806 -0.4794 -0.0003 -0.0000 0.2082 0.2088 0.4433 0.4444 0.8883 0.8958 0.9612 0.9668 1.1811 1.1845 1.4001 1.4050 2.0231 2.0240 2.1522 2.1540 2.2950 2.2969 10.8024 10.8044 10.9181 10.9203 11.8580 11.8596 12.3421 12.3440 12.3824 12.3947 k = 0.1318 0.2283 0.4543 ( 4170 PWs) bands (ev): -16.4489 -16.4484 -16.3325 -16.3321 -15.0226 -15.0222 -14.8265 -14.8231 -14.7802 -14.7759 -14.7470 -14.7452 -6.4937 -6.4935 -4.1304 -4.1304 -3.8780 -3.8726 -2.9228 -2.9184 -2.8954 -2.8930 -2.2842 -2.2825 -0.5125 -0.5111 -0.4637 -0.4626 -0.0168 -0.0167 0.2266 0.2275 0.4381 0.4390 0.8805 0.8882 0.9403 0.9461 1.1599 1.1636 1.3917 1.3967 2.0453 2.0463 2.1651 2.1668 2.3049 2.3069 10.7653 10.7672 10.8672 10.8693 11.8338 11.8355 12.3295 12.3326 12.3599 12.3711 k = 0.1240 0.2148 0.4543 ( 4168 PWs) bands (ev): -16.4529 -16.4524 -16.3495 -16.3492 -14.9973 -14.9970 -14.8237 -14.8203 -14.7798 -14.7754 -14.7441 -14.7424 -6.5334 -6.5332 -4.0973 -4.0972 -3.8692 -3.8638 -2.9373 -2.9330 -2.9155 -2.9130 -2.2734 -2.2718 -0.4898 -0.4884 -0.4459 -0.4450 -0.0326 -0.0326 0.2450 0.2462 0.4334 0.4341 0.8708 0.8786 0.9201 0.9261 1.1386 1.1426 1.3835 1.3885 2.0674 2.0686 2.1775 2.1791 2.3141 2.3163 10.7295 10.7312 10.8186 10.8206 11.8092 11.8111 12.3169 12.3216 12.3408 12.3504 k = 0.1163 0.2014 0.4543 ( 4172 PWs) bands (ev): -16.4568 -16.4563 -16.3657 -16.3655 -14.9731 -14.9728 -14.8211 -14.8176 -14.7794 -14.7750 -14.7412 -14.7396 -6.5714 -6.5712 -4.0653 -4.0650 -3.8606 -3.8552 -2.9520 -2.9479 -2.9351 -2.9327 -2.2630 -2.2615 -0.4670 -0.4655 -0.4275 -0.4267 -0.0476 -0.0475 0.2632 0.2647 0.4294 0.4298 0.8593 0.8670 0.9004 0.9066 1.1172 1.1215 1.3754 1.3804 2.0891 2.0906 2.1893 2.1907 2.3228 2.3252 10.6951 10.6967 10.7725 10.7744 11.7846 11.7865 12.3043 12.3110 12.3251 12.3323 k = 0.1085 0.1880 0.4543 ( 4168 PWs) bands (ev): -16.4605 -16.4600 -16.3810 -16.3808 -14.9499 -14.9496 -14.8184 -14.8149 -14.7791 -14.7748 -14.7384 -14.7369 -6.6075 -6.6073 -4.0343 -4.0339 -3.8522 -3.8469 -2.9669 -2.9630 -2.9542 -2.9519 -2.2532 -2.2518 -0.4441 -0.4426 -0.4087 -0.4080 -0.0617 -0.0614 0.2813 0.2831 0.4262 0.4263 0.8462 0.8538 0.8812 0.8875 1.0960 1.1006 1.3676 1.3724 2.1104 2.1122 2.2006 2.2018 2.3309 2.3335 10.6622 10.6637 10.7289 10.7307 11.7600 11.7619 12.2920 12.3010 12.3120 12.3167 k = 0.1008 0.1745 0.4543 ( 4176 PWs) bands (ev): -16.4640 -16.4636 -16.3954 -16.3952 -14.9279 -14.9276 -14.8159 -14.8123 -14.7789 -14.7746 -14.7358 -14.7344 -6.6416 -6.6414 -4.0044 -4.0039 -3.8440 -3.8388 -2.9818 -2.9786 -2.9723 -2.9705 -2.2439 -2.2426 -0.4213 -0.4199 -0.3897 -0.3892 -0.0749 -0.0745 0.2993 0.3015 0.4238 0.4239 0.8317 0.8391 0.8623 0.8686 1.0753 1.0800 1.3598 1.3645 2.1310 2.1331 2.2112 2.2123 2.3385 2.3412 10.6311 10.6324 10.6880 10.6897 11.7359 11.7377 12.2807 12.2913 12.3009 12.3033 k = 0.0930 0.1611 0.4543 ( 4180 PWs) bands (ev): -16.4673 -16.4669 -16.4088 -16.4086 -14.9072 -14.9069 -14.8134 -14.8098 -14.7788 -14.7745 -14.7333 -14.7319 -6.6736 -6.6735 -3.9758 -3.9751 -3.8361 -3.8311 -2.9968 -2.9947 -2.9891 -2.9882 -2.2352 -2.2340 -0.3989 -0.3975 -0.3708 -0.3705 -0.0871 -0.0867 0.3172 0.3197 0.4223 0.4228 0.8161 0.8233 0.8435 0.8498 1.0552 1.0601 1.3522 1.3567 2.1508 2.1532 2.2212 2.2221 2.3455 2.3484 10.6017 10.6030 10.6497 10.6514 11.7124 11.7142 12.2705 12.2822 12.2912 12.2920 k = 0.0853 0.1477 0.4543 ( 4180 PWs) bands (ev): -16.4704 -16.4701 -16.4212 -16.4210 -14.8877 -14.8875 -14.8110 -14.8074 -14.7787 -14.7745 -14.7309 -14.7296 -6.7035 -6.7034 -3.9485 -3.9477 -3.8285 -3.8237 -3.0117 -3.0110 -3.0050 -3.0046 -2.2271 -2.2260 -0.3770 -0.3756 -0.3523 -0.3522 -0.0985 -0.0979 0.3350 0.3378 0.4220 0.4229 0.7996 0.8064 0.8248 0.8309 1.0360 1.0410 1.3449 1.3491 2.1696 2.1723 2.2305 2.2313 2.3520 2.3551 10.5743 10.5755 10.6143 10.6158 11.6899 11.6915 12.2616 12.2735 12.2824 12.2826 k = 0.0775 0.1343 0.4543 ( 4188 PWs) bands (ev): -16.4734 -16.4730 -16.4326 -16.4324 -14.8697 -14.8695 -14.8086 -14.8051 -14.7787 -14.7746 -14.7286 -14.7275 -6.7312 -6.7311 -3.9226 -3.9217 -3.8212 -3.8167 -3.0268 -3.0265 -3.0207 -3.0194 -2.2196 -2.2187 -0.3559 -0.3546 -0.3345 -0.3344 -0.1088 -0.1081 0.3526 0.3558 0.4232 0.4244 0.7823 0.7888 0.8058 0.8118 1.0179 1.0230 1.3377 1.3417 2.1873 2.1902 2.2391 2.2397 2.3580 2.3611 10.5490 10.5500 10.5818 10.5832 11.6686 11.6700 12.2539 12.2654 12.2742 12.2748 k = 0.0698 0.1208 0.4543 ( 4192 PWs) bands (ev): -16.4760 -16.4757 -16.4430 -16.4428 -14.8532 -14.8529 -14.8064 -14.8029 -14.7788 -14.7748 -14.7265 -14.7255 -6.7564 -6.7564 -3.8983 -3.8974 -3.8144 -3.8101 -3.0418 -3.0409 -3.0353 -3.0335 -2.2128 -2.2120 -0.3358 -0.3346 -0.3177 -0.3174 -0.1182 -0.1175 0.3700 0.3735 0.4258 0.4274 0.7646 0.7706 0.7868 0.7925 1.0013 1.0063 1.3309 1.3346 2.2037 2.2068 2.2470 2.2474 2.3634 2.3667 10.5258 10.5267 10.5522 10.5534 11.6487 11.6499 12.2474 12.2580 12.2672 12.2679 k = 0.0620 0.1074 0.4543 ( 4190 PWs) bands (ev): -16.4785 -16.4782 -16.4523 -16.4522 -14.8382 -14.8380 -14.8042 -14.8008 -14.7790 -14.7750 -14.7246 -14.7237 -6.7793 -6.7792 -3.8757 -3.8748 -3.8081 -3.8041 -3.0556 -3.0545 -3.0488 -3.0469 -2.2067 -2.2059 -0.3169 -0.3159 -0.3020 -0.3015 -0.1267 -0.1258 0.3871 0.3909 0.4300 0.4320 0.7466 0.7521 0.7676 0.7729 0.9864 0.9911 1.3245 1.3279 2.2186 2.2219 2.2542 2.2545 2.3684 2.3717 10.5049 10.5057 10.5256 10.5267 11.6304 11.6315 12.2418 12.2514 12.2611 12.2618 k = 0.0543 0.0940 0.4543 ( 4200 PWs) bands (ev): -16.4806 -16.4804 -16.4606 -16.4605 -14.8249 -14.8246 -14.8021 -14.7989 -14.7792 -14.7754 -14.7229 -14.7221 -6.7997 -6.7996 -3.8550 -3.8541 -3.8023 -3.7987 -3.0682 -3.0671 -3.0612 -3.0594 -2.2012 -2.2006 -0.2996 -0.2987 -0.2876 -0.2869 -0.1341 -0.1332 0.4039 0.4080 0.4357 0.4380 0.7285 0.7334 0.7484 0.7531 0.9732 0.9776 1.3185 1.3216 2.2319 2.2353 2.2607 2.2607 2.3729 2.3760 10.4862 10.4869 10.5020 10.5030 11.6138 11.6148 12.2371 12.2456 12.2559 12.2564 k = 0.0465 0.0806 0.4543 ( 4200 PWs) bands (ev): -16.4825 -16.4823 -16.4678 -16.4677 -14.8134 -14.8130 -14.8000 -14.7971 -14.7793 -14.7758 -14.7214 -14.7207 -6.8174 -6.8174 -3.8364 -3.8356 -3.7970 -3.7939 -3.0793 -3.0784 -3.0724 -3.0709 -2.1965 -2.1959 -0.2840 -0.2833 -0.2747 -0.2739 -0.1406 -0.1397 0.4202 0.4244 0.4429 0.4455 0.7107 0.7149 0.7295 0.7334 0.9618 0.9658 1.3131 1.3158 2.2436 2.2470 2.2663 2.2665 2.3768 2.3798 10.4700 10.4706 10.4815 10.4823 11.5992 11.6000 12.2333 12.2405 12.2515 12.2519 k = 0.0388 0.0671 0.4543 ( 4196 PWs) bands (ev): -16.4841 -16.4840 -16.4739 -16.4738 -14.8042 -14.8033 -14.7975 -14.7955 -14.7795 -14.7764 -14.7201 -14.7195 -6.8326 -6.8326 -3.8202 -3.8194 -3.7924 -3.7897 -3.0890 -3.0883 -3.0823 -3.0810 -2.1924 -2.1920 -0.2703 -0.2698 -0.2635 -0.2625 -0.1461 -0.1452 0.4358 0.4400 0.4514 0.4541 0.6935 0.6967 0.7113 0.7142 0.9523 0.9557 1.3084 1.3107 2.2535 2.2567 2.2713 2.2716 2.3803 2.3830 10.4561 10.4566 10.4641 10.4648 11.5866 11.5873 12.2302 12.2362 12.2477 12.2480 k = 0.0310 0.0537 0.4543 ( 4196 PWs) bands (ev): -16.4855 -16.4853 -16.4789 -16.4788 -14.7990 -14.7964 -14.7930 -14.7929 -14.7796 -14.7769 -14.7190 -14.7185 -6.8451 -6.8450 -3.8064 -3.8058 -3.7885 -3.7863 -3.0972 -3.0967 -3.0906 -3.0897 -2.1891 -2.1887 -0.2589 -0.2586 -0.2540 -0.2530 -0.1506 -0.1497 0.4504 0.4542 0.4610 0.4634 0.6773 0.6795 0.6943 0.6961 0.9447 0.9475 1.3045 1.3063 2.2615 2.2644 2.2757 2.2760 2.3832 2.3856 10.4447 10.4451 10.4498 10.4504 11.5762 11.5768 12.2278 12.2325 12.2447 12.2449 k = 0.0233 0.0403 0.4543 ( 4202 PWs) bands (ev): -16.4865 -16.4864 -16.4828 -16.4828 -14.7968 -14.7943 -14.7880 -14.7873 -14.7794 -14.7775 -14.7181 -14.7177 -6.8548 -6.8548 -3.7955 -3.7949 -3.7854 -3.7837 -3.1037 -3.1034 -3.0972 -3.0967 -2.1865 -2.1862 -0.2499 -0.2498 -0.2464 -0.2453 -0.1541 -0.1533 0.4636 0.4663 0.4709 0.4726 0.6629 0.6641 0.6792 0.6800 0.9389 0.9411 1.3014 1.3028 2.2676 2.2698 2.2795 2.2798 2.3856 2.3875 10.4359 10.4361 10.4387 10.4391 11.5681 11.5685 12.2260 12.2296 12.2424 12.2424 k = 0.0155 0.0269 0.4543 ( 4206 PWs) bands (ev): -16.4873 -16.4872 -16.4856 -16.4856 -14.7954 -14.7936 -14.7839 -14.7831 -14.7790 -14.7780 -14.7174 -14.7172 -6.8618 -6.8618 -3.7875 -3.7871 -3.7830 -3.7819 -3.1084 -3.1083 -3.1020 -3.1017 -2.1846 -2.1845 -0.2436 -0.2436 -0.2406 -0.2398 -0.1566 -0.1560 0.4744 0.4759 0.4799 0.4806 0.6510 0.6514 0.6669 0.6671 0.9350 0.9364 1.2992 1.3001 2.2718 2.2733 2.2826 2.2827 2.3875 2.3888 10.4295 10.4297 10.4308 10.4311 11.5622 11.5625 12.2250 12.2273 12.2407 12.2407 k = 0.0078 0.0134 0.4543 ( 4206 PWs) bands (ev): -16.4877 -16.4877 -16.4873 -16.4872 -14.7944 -14.7934 -14.7817 -14.7809 -14.7782 -14.7780 -14.7170 -14.7169 -6.8660 -6.8660 -3.7825 -3.7823 -3.7815 -3.7809 -3.1113 -3.1113 -3.1049 -3.1048 -2.1835 -2.1834 -0.2399 -0.2399 -0.2368 -0.2364 -0.1580 -0.1577 0.4820 0.4825 0.4859 0.4860 0.6429 0.6430 0.6586 0.6588 0.9327 0.9335 1.2979 1.2984 2.2743 2.2751 2.2846 2.2846 2.3888 2.3894 10.4257 10.4258 10.4260 10.4262 11.5587 11.5588 12.2246 12.2257 12.2397 12.2397 k = 0.0000 0.0000 0.4543 ( 4198 PWs) bands (ev): -16.4879 -16.4879 -16.4878 -16.4878 -14.7937 -14.7937 -14.7808 -14.7808 -14.7778 -14.7778 -14.7168 -14.7168 -6.8674 -6.8674 -3.7808 -3.7808 -3.7808 -3.7808 -3.1123 -3.1123 -3.1059 -3.1059 -2.1831 -2.1831 -0.2386 -0.2386 -0.2354 -0.2354 -0.1583 -0.1583 0.4849 0.4849 0.4880 0.4880 0.6400 0.6400 0.6558 0.6558 0.9323 0.9323 1.2977 1.2977 2.2754 2.2754 2.2853 2.2853 2.3894 2.3894 10.4244 10.4244 10.4246 10.4246 11.5576 11.5576 12.2248 12.2248 12.2394 12.2394 k = 0.5000 0.2887 0.4543 ( 4168 PWs) bands (ev): -16.3969 -16.3969 -15.9557 -15.9557 -15.5080 -15.5080 -14.8702 -14.8702 -14.7901 -14.7901 -14.7659 -14.7659 -5.7657 -5.7657 -4.7819 -4.7819 -3.9056 -3.9056 -2.8359 -2.8359 -2.5667 -2.5667 -2.4601 -2.4601 -0.7203 -0.7203 -0.7053 -0.7053 0.0618 0.0618 0.3650 0.3650 0.3814 0.3814 0.9226 0.9226 1.2108 1.2108 1.3289 1.3289 1.6013 1.6013 1.6559 1.6559 1.8806 1.8806 2.2884 2.2884 11.4112 11.4112 11.8759 11.8759 12.1798 12.1798 12.3225 12.3225 12.6845 12.6845 k = 0.5000 0.2887 0.4392 ( 4170 PWs) bands (ev): -16.3971 -16.3971 -15.9558 -15.9558 -15.5077 -15.5075 -14.8702 -14.8701 -14.7904 -14.7901 -14.7661 -14.7658 -5.7662 -5.7660 -4.7823 -4.7822 -3.9048 -3.9044 -2.8373 -2.8367 -2.5651 -2.5647 -2.4609 -2.4608 -0.7202 -0.7198 -0.7048 -0.7045 0.0611 0.0618 0.3562 0.3597 0.3863 0.3898 0.9209 0.9219 1.2094 1.2105 1.3284 1.3298 1.5917 1.5929 1.6660 1.6671 1.8797 1.8801 2.2886 2.2890 11.4090 11.4096 11.8700 11.8706 12.1757 12.1795 12.3277 12.3307 12.6874 12.6885 k = 0.5000 0.2887 0.4240 ( 4174 PWs) bands (ev): -16.3978 -16.3977 -15.9561 -15.9560 -15.5067 -15.5063 -14.8698 -14.8696 -14.7910 -14.7903 -14.7662 -14.7656 -5.7676 -5.7672 -4.7834 -4.7831 -3.9021 -3.9013 -2.8406 -2.8394 -2.5599 -2.5591 -2.4632 -2.4630 -0.7197 -0.7188 -0.7032 -0.7026 0.0596 0.0610 0.3437 0.3475 0.3972 0.4011 0.9169 0.9189 1.2062 1.2084 1.3281 1.3309 1.5741 1.5756 1.6882 1.6895 1.8775 1.8783 2.2896 2.2904 11.4029 11.4041 11.8539 11.8552 12.1687 12.1752 12.3448 12.3497 12.6975 12.6995 k = 0.5000 0.2887 0.4089 ( 4178 PWs) bands (ev): -16.3989 -16.3987 -15.9565 -15.9565 -15.5049 -15.5044 -14.8693 -14.8690 -14.7917 -14.7908 -14.7663 -14.7655 -5.7698 -5.7692 -4.7851 -4.7847 -3.8973 -3.8961 -2.8456 -2.8439 -2.5515 -2.5505 -2.4670 -2.4666 -0.7186 -0.7173 -0.7004 -0.6994 0.0572 0.0594 0.3301 0.3341 0.4087 0.4126 0.9107 0.9136 1.2012 1.2045 1.3281 1.3321 1.5561 1.5575 1.7143 1.7157 1.8740 1.8751 2.2913 2.2926 11.3928 11.3945 11.8304 11.8324 12.1605 12.1686 12.3691 12.3751 12.7151 12.7179 k = 0.5000 0.2887 0.3937 ( 4182 PWs) bands (ev): -16.4003 -16.4001 -15.9572 -15.9572 -15.5025 -15.5018 -14.8685 -14.8681 -14.7927 -14.7915 -14.7664 -14.7654 -5.7729 -5.7720 -4.7874 -4.7869 -3.8907 -3.8891 -2.8519 -2.8498 -2.5405 -2.5392 -2.4720 -2.4715 -0.7170 -0.7154 -0.6965 -0.6951 0.0541 0.0570 0.3160 0.3200 0.4201 0.4241 0.9023 0.9061 1.1945 1.1987 1.3281 1.3333 1.5398 1.5411 1.7422 1.7435 1.8691 1.8706 2.2939 2.2955 11.3785 11.3808 11.8026 11.8054 12.1517 12.1606 12.3963 12.4028 12.7406 12.7440 k = 0.5000 0.2887 0.3786 ( 4186 PWs) bands (ev): -16.4022 -16.4019 -15.9580 -15.9580 -15.4993 -15.4984 -14.8675 -14.8669 -14.7939 -14.7924 -14.7665 -14.7653 -5.7767 -5.7757 -4.7903 -4.7898 -3.8821 -3.8802 -2.8591 -2.8567 -2.5278 -2.5264 -2.4780 -2.4772 -0.7148 -0.7129 -0.6914 -0.6897 0.0502 0.0538 0.3013 0.3054 0.4315 0.4354 0.8920 0.8965 1.1861 1.1911 1.3281 1.3342 1.5262 1.5271 1.7708 1.7721 1.8632 1.8649 2.2972 2.2992 11.3600 11.3628 11.7733 11.7768 12.1426 12.1520 12.4230 12.4298 12.7738 12.7777 k = 0.5000 0.2887 0.3634 ( 4172 PWs) bands (ev): -16.4043 -16.4040 -15.9590 -15.9589 -15.4955 -15.4945 -14.8662 -14.8656 -14.7952 -14.7936 -14.7666 -14.7652 -5.7812 -5.7800 -4.7938 -4.7932 -3.8718 -3.8695 -2.8669 -2.8642 -2.5155 -2.5143 -2.4829 -2.4816 -0.7122 -0.7098 -0.6851 -0.6831 0.0455 0.0498 0.2863 0.2905 0.4428 0.4467 0.8797 0.8850 1.1759 1.1816 1.3278 1.3345 1.5153 1.5161 1.7998 1.8009 1.8561 1.8581 2.3013 2.3036 11.3374 11.3406 11.7444 11.7486 12.1334 12.1431 12.4477 12.4547 12.8144 12.8185 k = 0.5000 0.2887 0.3483 ( 4176 PWs) bands (ev): -16.4068 -16.4065 -15.9601 -15.9601 -15.4912 -15.4900 -14.8648 -14.8641 -14.7967 -14.7949 -14.7667 -14.7652 -5.7863 -5.7850 -4.7978 -4.7971 -3.8596 -3.8570 -2.8749 -2.8719 -2.5110 -2.5104 -2.4798 -2.4780 -0.7090 -0.7063 -0.6779 -0.6755 0.0399 0.0450 0.2710 0.2754 0.4541 0.4579 0.8657 0.8716 1.1641 1.1703 1.3272 1.3343 1.5074 1.5082 1.8279 1.8297 1.8486 1.8509 2.3060 2.3086 11.3108 11.3144 11.7171 11.7218 12.1241 12.1340 12.4695 12.4766 12.8610 12.8653 k = 0.5000 0.2887 0.3332 ( 4184 PWs) bands (ev): -16.4096 -16.4092 -15.9614 -15.9613 -15.4862 -15.4849 -14.8632 -14.8624 -14.7983 -14.7963 -14.7669 -14.7653 -5.7921 -5.7906 -4.8023 -4.8015 -3.8458 -3.8429 -2.8828 -2.8797 -2.5176 -2.5175 -2.4657 -2.4639 -0.7054 -0.7023 -0.6695 -0.6668 0.0336 0.0393 0.2556 0.2601 0.4653 0.4691 0.8501 0.8565 1.1508 1.1574 1.3263 1.3335 1.5021 1.5034 1.8362 1.8401 1.8588 1.8617 2.3114 2.3143 11.2807 11.2845 11.6921 11.6972 12.1150 12.1249 12.4885 12.4956 12.9116 12.9158 k = 0.5000 0.2887 0.3180 ( 4188 PWs) bands (ev): -16.4126 -16.4122 -15.9627 -15.9627 -15.4808 -15.4793 -14.8615 -14.8606 -14.7999 -14.7979 -14.7672 -14.7655 -5.7983 -5.7967 -4.8072 -4.8063 -3.8303 -3.8271 -2.8906 -2.8874 -2.5293 -2.5291 -2.4474 -2.4455 -0.7012 -0.6978 -0.6602 -0.6572 0.0264 0.0328 0.2402 0.2449 0.4766 0.4803 0.8332 0.8400 1.1361 1.1430 1.3249 1.3321 1.4993 1.5013 1.8272 1.8304 1.8874 1.8891 2.3174 2.3205 11.2477 11.2516 11.6696 11.6750 12.1062 12.1161 12.5050 12.5119 12.9624 12.9651 k = 0.5000 0.2887 0.3029 ( 4188 PWs) bands (ev): -16.4158 -16.4154 -15.9642 -15.9642 -15.4749 -15.4734 -14.8597 -14.8587 -14.8017 -14.7995 -14.7675 -14.7658 -5.8050 -5.8033 -4.8125 -4.8116 -3.8133 -3.8099 -2.8980 -2.8947 -2.5433 -2.5430 -2.4274 -2.4256 -0.6965 -0.6929 -0.6501 -0.6466 0.0183 0.0254 0.2250 0.2300 0.4878 0.4915 0.8150 0.8222 1.1203 1.1274 1.3234 1.3303 1.4987 1.5014 1.8165 1.8197 1.9155 1.9170 2.3240 2.3272 11.2127 11.2166 11.6493 11.6549 12.0979 12.1078 12.5193 12.5259 12.9941 12.9987 k = 0.5000 0.2887 0.2877 ( 4178 PWs) bands (ev): -16.4192 -16.4187 -15.9658 -15.9657 -15.4687 -15.4670 -14.8577 -14.8567 -14.8034 -14.8013 -14.7679 -14.7661 -5.8120 -5.8102 -4.8180 -4.8171 -3.7949 -3.7912 -2.9049 -2.9016 -2.5591 -2.5586 -2.4066 -2.4049 -0.6914 -0.6874 -0.6390 -0.6352 0.0095 0.0171 0.2102 0.2155 0.4989 0.5026 0.7958 0.8033 1.1036 1.1108 1.3217 1.3283 1.4998 1.5032 1.8051 1.8083 1.9430 1.9443 2.3311 2.3344 11.1762 11.1801 11.6311 11.6367 12.0903 12.1001 12.5314 12.5375 13.0011 13.0086 k = 0.5000 0.2887 0.2726 ( 4174 PWs) bands (ev): -16.4227 -16.4222 -15.9674 -15.9673 -15.4622 -15.4604 -14.8557 -14.8546 -14.8051 -14.8030 -14.7683 -14.7665 -5.8192 -5.8174 -4.8238 -4.8228 -3.7751 -3.7712 -2.9114 -2.9081 -2.5763 -2.5757 -2.3854 -2.3838 -0.6858 -0.6816 -0.6273 -0.6232 -0.0001 0.0079 0.1961 0.2016 0.5099 0.5136 0.7758 0.7837 1.0861 1.0933 1.3202 1.3263 1.5022 1.5063 1.7932 1.7964 1.9696 1.9708 2.3386 2.3420 11.1391 11.1428 11.6147 11.6202 12.0837 12.0934 12.5413 12.5467 13.0028 13.0107 k = 0.5000 0.2887 0.2574 ( 4174 PWs) bands (ev): -16.4263 -16.4258 -15.9691 -15.9690 -15.4554 -15.4536 -14.8538 -14.8526 -14.8068 -14.8048 -14.7689 -14.7670 -5.8267 -5.8248 -4.8298 -4.8288 -3.7541 -3.7501 -2.9173 -2.9140 -2.5948 -2.5942 -2.3641 -2.3626 -0.6798 -0.6753 -0.6149 -0.6104 -0.0105 -0.0022 0.1830 0.1886 0.5207 0.5244 0.7553 0.7634 1.0680 1.0753 1.3188 1.3244 1.5054 1.5100 1.7810 1.7842 1.9952 1.9963 2.3464 2.3499 11.1019 11.1055 11.5996 11.6051 12.0781 12.0876 12.5486 12.5533 13.0011 13.0080 k = 0.5000 0.2887 0.2423 ( 4176 PWs) bands (ev): -16.4299 -16.4294 -15.9708 -15.9707 -15.4485 -15.4466 -14.8518 -14.8506 -14.8084 -14.8064 -14.7694 -14.7676 -5.8342 -5.8324 -4.8359 -4.8349 -3.7320 -3.7278 -2.9226 -2.9194 -2.6146 -2.6138 -2.3430 -2.3415 -0.6734 -0.6687 -0.6020 -0.5972 -0.0216 -0.0131 0.1709 0.1767 0.5309 0.5346 0.7347 0.7430 1.0494 1.0567 1.3178 1.3229 1.5088 1.5140 1.7687 1.7719 2.0197 2.0207 2.3546 2.3580 11.0652 11.0686 11.5858 11.5910 12.0737 12.0831 12.5527 12.5567 12.9953 13.0014 k = 0.5000 0.2887 0.2272 ( 4176 PWs) bands (ev): -16.4335 -16.4330 -15.9725 -15.9724 -15.4415 -15.4396 -14.8499 -14.8487 -14.8099 -14.8080 -14.7701 -14.7683 -5.8418 -5.8399 -4.8420 -4.8410 -3.7090 -3.7047 -2.9274 -2.9243 -2.6354 -2.6346 -2.3221 -2.3207 -0.6668 -0.6619 -0.5887 -0.5836 -0.0334 -0.0249 0.1603 0.1660 0.5404 0.5441 0.7143 0.7228 1.0306 1.0378 1.3172 1.3219 1.5122 1.5179 1.7565 1.7597 2.0429 2.0440 2.3629 2.3663 11.0294 11.0326 11.5730 11.5780 12.0707 12.0799 12.5532 12.5564 12.9864 12.9935 k = 0.5000 0.2887 0.2120 ( 4186 PWs) bands (ev): -16.4371 -16.4366 -15.9742 -15.9741 -15.4345 -15.4326 -14.8482 -14.8470 -14.8111 -14.8095 -14.7708 -14.7690 -5.8492 -5.8474 -4.8481 -4.8471 -3.6851 -3.6807 -2.9317 -2.9286 -2.6571 -2.6563 -2.3017 -2.3004 -0.6598 -0.6549 -0.5750 -0.5697 -0.0457 -0.0375 0.1512 0.1569 0.5485 0.5520 0.6950 0.7036 1.0116 1.0187 1.3173 1.3215 1.5151 1.5212 1.7446 1.7479 2.0649 2.0659 2.3713 2.3746 10.9949 10.9979 11.5610 11.5658 12.0691 12.0781 12.5493 12.5519 12.9777 12.9865 k = 0.5000 0.2887 0.1969 ( 4178 PWs) bands (ev): -16.4406 -16.4401 -15.9759 -15.9758 -15.4275 -15.4256 -14.8467 -14.8455 -14.8121 -14.8107 -14.7716 -14.7698 -5.8565 -5.8547 -4.8540 -4.8531 -3.6605 -3.6561 -2.9354 -2.9324 -2.6797 -2.6788 -2.2820 -2.2807 -0.6528 -0.6477 -0.5612 -0.5557 -0.0586 -0.0507 0.1439 0.1495 0.5543 0.5574 0.6779 0.6863 0.9925 0.9995 1.3180 1.3218 1.5172 1.5236 1.7335 1.7368 2.0856 2.0865 2.3798 2.3830 10.9620 10.9648 11.5499 11.5544 12.0691 12.0779 12.5408 12.5430 12.9720 12.9822 k = 0.5000 0.2887 0.1817 ( 4178 PWs) bands (ev): -16.4440 -16.4435 -15.9775 -15.9775 -15.4207 -15.4189 -14.8455 -14.8443 -14.8128 -14.8117 -14.7724 -14.7707 -5.8636 -5.8619 -4.8599 -4.8589 -3.6355 -3.6310 -2.9386 -2.9357 -2.7029 -2.7020 -2.2630 -2.2618 -0.6456 -0.6406 -0.5473 -0.5416 -0.0719 -0.0645 0.1385 0.1440 0.5562 0.5586 0.6648 0.6725 0.9735 0.9804 1.3194 1.3228 1.5180 1.5247 1.7233 1.7266 2.1048 2.1057 2.3881 2.3912 10.9309 10.9334 11.5395 11.5437 12.0707 12.0794 12.5278 12.5298 12.9701 12.9812 k = 0.5000 0.2887 0.1666 ( 4170 PWs) bands (ev): -16.4472 -16.4468 -15.9791 -15.9790 -15.4141 -15.4123 -14.8446 -14.8435 -14.8131 -14.8123 -14.7733 -14.7715 -5.8704 -5.8687 -4.8655 -4.8646 -3.6101 -3.6057 -2.9413 -2.9385 -2.7266 -2.7257 -2.2449 -2.2439 -0.6386 -0.6335 -0.5335 -0.5277 -0.0855 -0.0787 0.1351 0.1406 0.5526 0.5538 0.6576 0.6640 0.9547 0.9614 1.3217 1.3247 1.5173 1.5242 1.7144 1.7177 2.1225 2.1234 2.3963 2.3992 10.9018 10.9041 11.5298 11.5338 12.0741 12.0826 12.5106 12.5126 12.9721 12.9838 k = 0.5000 0.2887 0.1514 ( 4158 PWs) bands (ev): -16.4503 -16.4499 -15.9806 -15.9805 -15.4078 -15.4061 -14.8441 -14.8429 -14.8130 -14.8126 -14.7741 -14.7725 -5.8768 -5.8752 -4.8708 -4.8699 -3.5846 -3.5802 -2.9436 -2.9409 -2.7506 -2.7497 -2.2280 -2.2270 -0.6316 -0.6267 -0.5199 -0.5140 -0.0993 -0.0932 0.1338 0.1393 0.5421 0.5435 0.6566 0.6615 0.9361 0.9426 1.3247 1.3274 1.5149 1.5219 1.7069 1.7102 2.1388 2.1396 2.4042 2.4070 10.8749 10.8770 11.5209 11.5246 12.0793 12.0875 12.4900 12.4920 12.9772 12.9892 k = 0.5000 0.2887 0.1363 ( 4156 PWs) bands (ev): -16.4531 -16.4528 -15.9820 -15.9819 -15.4018 -15.4002 -14.8439 -14.8427 -14.8127 -14.8125 -14.7750 -14.7734 -5.8828 -5.8813 -4.8758 -4.8750 -3.5593 -3.5550 -2.9455 -2.9428 -2.7746 -2.7738 -2.2122 -2.2113 -0.6250 -0.6203 -0.5065 -0.5007 -0.1131 -0.1078 0.1346 0.1401 0.5261 0.5289 0.6605 0.6641 0.9180 0.9243 1.3286 1.3310 1.5107 1.5177 1.7009 1.7042 2.1535 2.1543 2.4117 2.4143 10.8502 10.8521 11.5127 11.5161 12.0863 12.0943 12.4666 12.4689 12.9845 12.9966 k = 0.5000 0.2887 0.1211 ( 4158 PWs) bands (ev): -16.4557 -16.4554 -15.9833 -15.9832 -15.3962 -15.3947 -14.8440 -14.8428 -14.8122 -14.8119 -14.7759 -14.7743 -5.8883 -5.8870 -4.8803 -4.8796 -3.5345 -3.5303 -2.9469 -2.9443 -2.7983 -2.7975 -2.1977 -2.1970 -0.6187 -0.6143 -0.4934 -0.4878 -0.1269 -0.1222 0.1374 0.1430 0.5073 0.5111 0.6672 0.6700 0.9004 0.9064 1.3334 1.3355 1.5048 1.5116 1.6966 1.6997 2.1666 2.1674 2.4188 2.4211 10.8280 10.8297 11.5053 11.5083 12.0951 12.1029 12.4412 12.4439 12.9929 13.0048 k = 0.5000 0.2887 0.1060 ( 4158 PWs) bands (ev): -16.4581 -16.4578 -15.9844 -15.9844 -15.3911 -15.3898 -14.8443 -14.8432 -14.8116 -14.8111 -14.7768 -14.7753 -5.8932 -5.8921 -4.8845 -4.8839 -3.5104 -3.5065 -2.9480 -2.9454 -2.8214 -2.8207 -2.1847 -2.1840 -0.6130 -0.6089 -0.4809 -0.4755 -0.1402 -0.1363 0.1422 0.1479 0.4873 0.4917 0.6755 0.6779 0.8835 0.8892 1.3389 1.3409 1.4973 1.5038 1.6936 1.6965 2.1782 2.1789 2.4252 2.4273 10.8082 10.8097 11.4987 11.5014 12.1058 12.1133 12.4146 12.4176 13.0014 13.0125 k = 0.5000 0.2887 0.0909 ( 4156 PWs) bands (ev): -16.4602 -16.4599 -15.9855 -15.9854 -15.3866 -15.3854 -14.8448 -14.8437 -14.8108 -14.8102 -14.7776 -14.7762 -5.8976 -5.8966 -4.8882 -4.8876 -3.4876 -3.4840 -2.9487 -2.9460 -2.8436 -2.8429 -2.1731 -2.1726 -0.6078 -0.6042 -0.4690 -0.4640 -0.1530 -0.1497 0.1486 0.1543 0.4672 0.4719 0.6847 0.6869 0.8674 0.8727 1.3452 1.3471 1.4887 1.4948 1.6918 1.6944 2.1883 2.1889 2.4310 2.4328 10.7910 10.7922 11.4930 11.4953 12.1183 12.1255 12.3874 12.3908 13.0088 13.0186 k = 0.5000 0.2887 0.0757 ( 4170 PWs) bands (ev): -16.4620 -16.4618 -15.9864 -15.9863 -15.3826 -15.3816 -14.8452 -14.8443 -14.8099 -14.8092 -14.7783 -14.7771 -5.9013 -5.9005 -4.8914 -4.8909 -3.4666 -3.4634 -2.9490 -2.9463 -2.8644 -2.8636 -2.1632 -2.1628 -0.6033 -0.6002 -0.4580 -0.4535 -0.1650 -0.1622 0.1564 0.1619 0.4476 0.4524 0.6942 0.6964 0.8522 0.8571 1.3520 1.3539 1.4792 1.4849 1.6909 1.6931 2.1968 2.1973 2.4361 2.4376 10.7763 10.7774 11.4881 11.4900 12.1325 12.1396 12.3599 12.3637 13.0147 13.0225 k = 0.5000 0.2887 0.0606 ( 4166 PWs) bands (ev): -16.4635 -16.4633 -15.9871 -15.9871 -15.3793 -15.3784 -14.8457 -14.8449 -14.8090 -14.8084 -14.7790 -14.7779 -5.9044 -5.9038 -4.8940 -4.8936 -3.4479 -3.4451 -2.9488 -2.9459 -2.8834 -2.8823 -2.1550 -2.1546 -0.5995 -0.5969 -0.4481 -0.4443 -0.1756 -0.1734 0.1650 0.1701 0.4296 0.4341 0.7037 0.7058 0.8383 0.8427 1.3592 1.3612 1.4696 1.4746 1.6906 1.6924 2.2038 2.2042 2.4404 2.4416 10.7643 10.7652 11.4840 11.4856 12.1486 12.1554 12.3327 12.3368 13.0190 13.0248 k = 0.5000 0.2887 0.0454 ( 4162 PWs) bands (ev): -16.4646 -16.4645 -15.9877 -15.9877 -15.3766 -15.3760 -14.8460 -14.8454 -14.8082 -14.8077 -14.7795 -14.7786 -5.9069 -5.9063 -4.8961 -4.8958 -3.4322 -3.4300 -2.9480 -2.9450 -2.8999 -2.8984 -2.1485 -2.1482 -0.5964 -0.5945 -0.4396 -0.4366 -0.1845 -0.1828 0.1737 0.1780 0.4139 0.4178 0.7127 0.7147 0.8261 0.8298 1.3666 1.3684 1.4603 1.4645 1.6907 1.6920 2.2092 2.2095 2.4438 2.4448 10.7550 10.7556 11.4809 11.4821 12.1663 12.1728 12.3060 12.3105 13.0218 13.0259 k = 0.5000 0.2887 0.0303 ( 4158 PWs) bands (ev): -16.4654 -16.4654 -15.9881 -15.9881 -15.3746 -15.3742 -14.8463 -14.8459 -14.8076 -14.8071 -14.7798 -14.7792 -5.9086 -5.9082 -4.8975 -4.8974 -3.4201 -3.4186 -2.9463 -2.9435 -2.9134 -2.9115 -2.1438 -2.1436 -0.5942 -0.5928 -0.4330 -0.4309 -0.1913 -0.1901 0.1814 0.1847 0.4017 0.4046 0.7207 0.7224 0.8162 0.8190 1.3734 1.3750 1.4523 1.4555 1.6909 1.6918 2.2131 2.2133 2.4464 2.4470 10.7483 10.7487 11.4787 11.4795 12.1855 12.1916 12.2803 12.2851 13.0237 13.0263 k = 0.5000 0.2887 0.0151 ( 4158 PWs) bands (ev): -16.4659 -16.4659 -15.9884 -15.9884 -15.3734 -15.3732 -14.8464 -14.8462 -14.8071 -14.8069 -14.7799 -14.7796 -5.9096 -5.9094 -4.8984 -4.8983 -3.4125 -3.4117 -2.9438 -2.9416 -2.9228 -2.9211 -2.1410 -2.1409 -0.5926 -0.5920 -0.4286 -0.4275 -0.1954 -0.1949 0.1872 0.1889 0.3941 0.3957 0.7266 0.7276 0.8097 0.8113 1.3787 1.3797 1.4469 1.4487 1.6912 1.6917 2.2154 2.2155 2.4480 2.4483 10.7443 10.7446 11.4775 11.4779 12.2058 12.2113 12.2565 12.2613 13.0250 13.0262 k = 0.5000 0.2887-0.0000 ( 4152 PWs) bands (ev): -16.4661 -16.4661 -15.9884 -15.9884 -15.3729 -15.3729 -14.8464 -14.8464 -14.8068 -14.8068 -14.7799 -14.7799 -5.9099 -5.9099 -4.8987 -4.8987 -3.4096 -3.4096 -2.9413 -2.9413 -2.9258 -2.9258 -2.1400 -2.1400 -0.5919 -0.5919 -0.4267 -0.4267 -0.1967 -0.1967 0.1898 0.1898 0.3920 0.3920 0.7292 0.7292 0.8079 0.8079 1.3811 1.3811 1.4455 1.4455 1.6915 1.6915 2.2162 2.2162 2.4486 2.4486 10.7431 10.7431 11.4772 11.4772 12.2227 12.2227 12.2434 12.2434 13.0258 13.0258 k = 0.3333 0.5774-0.0000 ( 4206 PWs) bands (ev): -16.2231 -16.2218 -16.2218 -16.2218 -15.4036 -15.4036 -14.8437 -14.8437 -14.7964 -14.7964 -14.7937 -14.7931 -5.9686 -5.9686 -4.2322 -4.2282 -4.2262 -4.2262 -2.8336 -2.8310 -2.8310 -2.8293 -2.0504 -2.0504 -0.4608 -0.4494 -0.4494 -0.4445 -0.4001 -0.4001 0.4272 0.4301 0.4327 0.4327 0.5768 0.5768 0.7729 0.7729 1.2361 1.2426 1.2426 1.2444 2.0410 2.0410 2.0508 2.0517 2.4834 2.4834 11.4169 11.4220 11.4242 11.4242 11.8982 11.8982 12.8740 12.8740 13.0415 13.0415 k = 0.3333 0.5774 0.0151 ( 4212 PWs) bands (ev): -16.2331 -16.2323 -16.2114 -16.2107 -15.4042 -15.4039 -14.8438 -14.8436 -14.7994 -14.7964 -14.7936 -14.7906 -5.9677 -5.9675 -4.2478 -4.2439 -4.2138 -4.2098 -2.8424 -2.8416 -2.8196 -2.8195 -2.0517 -2.0517 -0.4702 -0.4652 -0.4360 -0.4344 -0.4001 -0.3991 0.4197 0.4237 0.4390 0.4429 0.5747 0.5748 0.7759 0.7764 1.2265 1.2296 1.2546 1.2561 2.0377 2.0434 2.0480 2.0537 2.4824 2.4824 11.4113 11.4163 11.4291 11.4334 11.8989 11.8993 12.8736 12.8738 13.0286 13.0290 k = 0.3333 0.5774 0.0303 ( 4206 PWs) bands (ev): -16.2433 -16.2425 -16.1999 -16.1992 -15.4055 -15.4051 -14.8438 -14.8434 -14.8025 -14.7996 -14.7909 -14.7879 -5.9647 -5.9645 -4.2665 -4.2629 -4.1988 -4.1945 -2.8521 -2.8512 -2.8073 -2.8071 -2.0553 -2.0553 -0.4854 -0.4818 -0.4234 -0.4204 -0.3991 -0.3972 0.4124 0.4162 0.4503 0.4542 0.5691 0.5691 0.7849 0.7859 1.2144 1.2174 1.2684 1.2701 2.0337 2.0439 2.0449 2.0552 2.4795 2.4796 11.4051 11.4099 11.4397 11.4442 11.9014 11.9023 12.8727 12.8731 13.0113 13.0116 k = 0.3333 0.5774 0.0454 ( 4206 PWs) bands (ev): -16.2530 -16.2522 -16.1879 -16.1873 -15.4078 -15.4072 -14.8436 -14.8431 -14.8058 -14.8028 -14.7884 -14.7854 -5.9598 -5.9594 -4.2866 -4.2831 -4.1849 -4.1805 -2.8608 -2.8597 -2.7941 -2.7941 -2.0613 -2.0613 -0.5019 -0.4989 -0.4114 -0.4075 -0.3973 -0.3944 0.4067 0.4103 0.4625 0.4663 0.5608 0.5609 0.7990 0.8004 1.2030 1.2061 1.2828 1.2844 2.0289 2.0391 2.0455 2.0557 2.4746 2.4748 11.4001 11.4049 11.4519 11.4564 11.9057 11.9070 12.8712 12.8718 12.9907 12.9912 k = 0.3333 0.5774 0.0606 ( 4194 PWs) bands (ev): -16.2623 -16.2615 -16.1755 -16.1749 -15.4109 -15.4101 -14.8434 -14.8427 -14.8091 -14.8062 -14.7861 -14.7832 -5.9530 -5.9524 -4.3079 -4.3048 -4.1721 -4.1675 -2.8684 -2.8672 -2.7804 -2.7804 -2.0696 -2.0696 -0.5189 -0.5164 -0.4003 -0.3960 -0.3946 -0.3907 0.4028 0.4062 0.4753 0.4790 0.5508 0.5511 0.8171 0.8188 1.1926 1.1959 1.2974 1.2989 2.0234 2.0336 2.0452 2.0553 2.4679 2.4682 11.3965 11.4012 11.4657 11.4702 11.9118 11.9136 12.8692 12.8699 12.9681 12.9689 k = 0.3333 0.5774 0.0757 ( 4179 PWs) bands (ev): -16.2711 -16.2703 -16.1627 -16.1621 -15.4148 -15.4138 -14.8431 -14.8423 -14.8126 -14.8097 -14.7840 -14.7811 -5.9442 -5.9435 -4.3306 -4.3277 -4.1602 -4.1557 -2.8750 -2.8735 -2.7661 -2.7660 -2.0801 -2.0801 -0.5364 -0.5342 -0.3912 -0.3905 -0.3874 -0.3845 0.4007 0.4038 0.4884 0.4917 0.5401 0.5407 0.8383 0.8402 1.1835 1.1870 1.3122 1.3136 2.0173 2.0274 2.0438 2.0539 2.4593 2.4597 11.3941 11.3987 11.4811 11.4856 11.9196 11.9219 12.8668 12.8675 12.9441 12.9453 k = 0.3333 0.5774 0.0909 ( 4188 PWs) bands (ev): -16.2795 -16.2787 -16.1494 -16.1489 -15.4196 -15.4184 -14.8427 -14.8417 -14.8161 -14.8133 -14.7821 -14.7793 -5.9334 -5.9326 -4.3546 -4.3520 -4.1494 -4.1448 -2.8803 -2.8787 -2.7514 -2.7513 -2.0928 -2.0927 -0.5540 -0.5521 -0.3872 -0.3821 -0.3819 -0.3757 0.4004 0.4032 0.5015 0.5042 0.5293 0.5304 0.8618 0.8640 1.1759 1.1797 1.3271 1.3283 2.0105 2.0205 2.0414 2.0514 2.4489 2.4493 11.3929 11.3974 11.4981 11.5026 11.9292 11.9319 12.8637 12.8644 12.9197 12.9210 k = 0.3333 0.5774 0.1060 ( 4188 PWs) bands (ev): -16.2875 -16.2867 -16.1357 -16.1352 -15.4252 -15.4239 -14.8422 -14.8411 -14.8197 -14.8169 -14.7804 -14.7776 -5.9208 -5.9198 -4.3800 -4.3777 -4.1395 -4.1349 -2.8845 -2.8827 -2.7364 -2.7362 -2.1074 -2.1073 -0.5716 -0.5700 -0.3827 -0.3767 -0.3746 -0.3679 0.4019 0.4044 0.5141 0.5142 0.5189 0.5229 0.8873 0.8897 1.1701 1.1741 1.3421 1.3431 2.0032 2.0130 2.0379 2.0478 2.4367 2.4372 11.3929 11.3973 11.5168 11.5213 11.9405 11.9437 12.8603 12.8605 12.8954 12.8967 k = 0.3333 0.5774 0.1211 ( 4182 PWs) bands (ev): -16.2950 -16.2942 -16.1215 -16.1211 -15.4316 -15.4302 -14.8416 -14.8404 -14.8233 -14.8206 -14.7790 -14.7762 -5.9062 -5.9051 -4.4066 -4.4046 -4.1304 -4.1258 -2.8874 -2.8854 -2.7211 -2.7209 -2.1239 -2.1237 -0.5891 -0.5877 -0.3778 -0.3709 -0.3685 -0.3612 0.4052 0.4073 0.5093 0.5093 0.5263 0.5301 0.9143 0.9168 1.1663 1.1706 1.3571 1.3580 1.9953 2.0050 2.0333 2.0431 2.4228 2.4234 11.3940 11.3983 11.5372 11.5416 11.9534 11.9570 12.8547 12.8563 12.8726 12.8728 k = 0.3333 0.5774 0.1363 ( 4179 PWs) bands (ev): -16.3021 -16.3013 -16.1070 -16.1066 -15.4389 -15.4373 -14.8408 -14.8395 -14.8269 -14.8243 -14.7778 -14.7751 -5.8899 -5.8886 -4.4345 -4.4329 -4.1221 -4.1176 -2.8891 -2.8869 -2.7057 -2.7055 -2.1420 -2.1418 -0.6064 -0.6052 -0.3727 -0.3650 -0.3635 -0.3556 0.4100 0.4117 0.5005 0.5013 0.5374 0.5404 0.9425 0.9451 1.1647 1.1694 1.3720 1.3728 1.9868 1.9964 2.0276 2.0372 2.4073 2.4079 11.3962 11.4003 11.5593 11.5637 11.9679 11.9719 12.8410 12.8489 12.8519 12.8580 k = 0.3333 0.5774 0.1514 ( 4179 PWs) bands (ev): -16.3088 -16.3081 -16.0920 -16.0917 -15.4470 -15.4452 -14.8400 -14.8386 -14.8305 -14.8281 -14.7768 -14.7741 -5.8717 -5.8704 -4.4638 -4.4624 -4.1146 -4.1101 -2.8896 -2.8872 -2.6903 -2.6901 -2.1617 -2.1614 -0.6233 -0.6222 -0.3675 -0.3596 -0.3591 -0.3511 0.4162 0.4176 0.4929 0.4940 0.5473 0.5498 0.9717 0.9744 1.1656 1.1706 1.3870 1.3875 1.9779 1.9873 2.0207 2.0302 2.3901 2.3909 11.3993 11.4033 11.5832 11.5874 11.9839 11.9883 12.8196 12.8259 12.8470 12.8511 k = 0.3333 0.5774 0.1666 ( 4179 PWs) bands (ev): -16.3151 -16.3144 -16.0767 -16.0764 -15.4558 -15.4540 -14.8391 -14.8375 -14.8340 -14.8318 -14.7760 -14.7735 -5.8518 -5.8503 -4.4942 -4.4931 -4.1077 -4.1033 -2.8887 -2.8862 -2.6750 -2.6747 -2.1827 -2.1823 -0.6397 -0.6388 -0.3624 -0.3566 -0.3533 -0.3475 0.4236 0.4246 0.4865 0.4879 0.5557 0.5577 1.0017 1.0045 1.1692 1.1744 1.4019 1.4023 1.9686 1.9778 2.0125 2.0219 2.3715 2.3723 11.4032 11.4071 11.6087 11.6129 12.0013 12.0061 12.7975 12.8037 12.8416 12.8452 k = 0.3333 0.5774 0.1817 ( 4188 PWs) bands (ev): -16.3211 -16.3203 -16.0610 -16.0608 -15.4654 -15.4635 -14.8390 -14.8366 -14.8363 -14.8355 -14.7754 -14.7730 -5.8302 -5.8286 -4.5258 -4.5250 -4.1015 -4.0972 -2.8867 -2.8840 -2.6599 -2.6596 -2.2049 -2.2044 -0.6555 -0.6548 -0.3574 -0.3544 -0.3477 -0.3447 0.4319 0.4325 0.4814 0.4830 0.5625 0.5641 1.0324 1.0353 1.1754 1.1810 1.4168 1.4170 1.9587 1.9677 2.0032 2.0124 2.3514 2.3523 11.4080 11.4117 11.6360 11.6402 12.0200 12.0252 12.7758 12.7824 12.8358 12.8392 k = 0.3333 0.5774 0.1969 ( 4188 PWs) bands (ev): -16.3266 -16.3258 -16.0449 -16.0448 -15.4758 -15.4738 -14.8417 -14.8391 -14.8362 -14.8350 -14.7751 -14.7728 -5.8069 -5.8052 -4.5585 -4.5580 -4.0959 -4.0917 -2.8834 -2.8805 -2.6451 -2.6448 -2.2281 -2.2275 -0.6707 -0.6701 -0.3528 -0.3527 -0.3433 -0.3417 0.4411 0.4412 0.4775 0.4794 0.5675 0.5688 1.0636 1.0665 1.1845 1.1904 1.4317 1.4318 1.9485 1.9573 1.9927 2.0018 2.3301 2.3310 11.4134 11.4170 11.6651 11.6692 12.0400 12.0455 12.7551 12.7620 12.8295 12.8328 k = 0.3333 0.5774 0.2120 ( 4185 PWs) bands (ev): -16.3317 -16.3310 -16.0285 -16.0284 -15.4869 -15.4848 -14.8450 -14.8426 -14.8349 -14.8336 -14.7750 -14.7728 -5.7820 -5.7802 -4.5923 -4.5921 -4.0908 -4.0868 -2.8789 -2.8758 -2.6307 -2.6304 -2.2522 -2.2515 -0.6852 -0.6846 -0.3517 -0.3484 -0.3415 -0.3372 0.4503 0.4507 0.4751 0.4770 0.5709 0.5718 1.0951 1.0981 1.1963 1.2024 1.4465 1.4467 1.9380 1.9465 1.9809 1.9899 2.3075 2.3085 11.4195 11.4229 11.6959 11.7000 12.0610 12.0669 12.7352 12.7427 12.8226 12.8260 k = 0.3333 0.5774 0.2272 ( 4173 PWs) bands (ev): -16.3365 -16.3358 -16.0117 -16.0117 -15.4986 -15.4966 -14.8483 -14.8461 -14.8334 -14.8320 -14.7752 -14.7730 -5.7556 -5.7537 -4.6272 -4.6272 -4.0862 -4.0823 -2.8731 -2.8699 -2.6167 -2.6165 -2.2771 -2.2762 -0.6989 -0.6984 -0.3511 -0.3445 -0.3403 -0.3328 0.4594 0.4606 0.4742 0.4758 0.5727 0.5733 1.1269 1.1300 1.2106 1.2170 1.4613 1.4616 1.9271 1.9354 1.9680 1.9768 2.2837 2.2849 11.4260 11.4292 11.7285 11.7325 12.0830 12.0892 12.7164 12.7244 12.8151 12.8185 k = 0.3333 0.5774 0.2423 ( 4173 PWs) bands (ev): -16.3409 -16.3403 -15.9948 -15.9946 -15.5111 -15.5090 -14.8515 -14.8494 -14.8317 -14.8304 -14.7755 -14.7735 -5.7277 -5.7258 -4.6632 -4.6629 -4.0820 -4.0783 -2.8661 -2.8628 -2.6033 -2.6031 -2.3025 -2.3015 -0.7117 -0.7113 -0.3507 -0.3411 -0.3395 -0.3290 0.4673 0.4705 0.4758 0.4758 0.5729 0.5733 1.1589 1.1619 1.2274 1.2340 1.4761 1.4766 1.9159 1.9240 1.9539 1.9625 2.2590 2.2603 11.4329 11.4359 11.7627 11.7666 12.1057 12.1123 12.6987 12.7071 12.8070 12.8104 k = 0.3333 0.5774 0.2574 ( 4176 PWs) bands (ev): -16.3450 -16.3443 -15.9775 -15.9773 -15.5243 -15.5221 -14.8546 -14.8527 -14.8299 -14.8286 -14.7761 -14.7742 -5.6985 -5.6964 -4.7002 -4.6996 -4.0782 -4.0748 -2.8580 -2.8546 -2.5906 -2.5904 -2.3283 -2.3271 -0.7237 -0.7233 -0.3505 -0.3390 -0.3382 -0.3257 0.4716 0.4769 0.4803 0.4818 0.5719 0.5720 1.1908 1.1939 1.2464 1.2531 1.4909 1.4916 1.9046 1.9124 1.9386 1.9471 2.2334 2.2347 11.4400 11.4429 11.7985 11.8025 12.1291 12.1359 12.6819 12.6909 12.7981 12.8014 k = 0.3333 0.5774 0.2726 ( 4182 PWs) bands (ev): -16.3487 -16.3481 -15.9599 -15.9597 -15.5380 -15.5359 -14.8576 -14.8557 -14.8280 -14.8267 -14.7768 -14.7751 -5.6678 -5.6657 -4.7379 -4.7371 -4.0749 -4.0716 -2.8486 -2.8452 -2.5785 -2.5784 -2.3545 -2.3531 -0.7348 -0.7344 -0.3504 -0.3385 -0.3359 -0.3230 0.4744 0.4789 0.4896 0.4900 0.5697 0.5698 1.2225 1.2256 1.2673 1.2741 1.5056 1.5064 1.8932 1.9007 1.9223 1.9306 2.2070 2.2085 11.4473 11.4499 11.8359 11.8398 12.1527 12.1598 12.6663 12.6757 12.7883 12.7915 k = 0.3333 0.5774 0.2877 ( 4188 PWs) bands (ev): -16.3521 -16.3515 -15.9422 -15.9418 -15.5523 -15.5502 -14.8603 -14.8586 -14.8259 -14.8247 -14.7778 -14.7762 -5.6359 -5.6337 -4.7763 -4.7753 -4.0718 -4.0688 -2.8382 -2.8346 -2.5673 -2.5671 -2.3808 -2.3793 -0.7449 -0.7446 -0.3503 -0.3381 -0.3342 -0.3209 0.4776 0.4819 0.4982 0.4984 0.5667 0.5669 1.2541 1.2572 1.2899 1.2967 1.5201 1.5211 1.8819 1.8891 1.9048 1.9130 2.1800 2.1816 11.4546 11.4570 11.8748 11.8787 12.1765 12.1838 12.6516 12.6616 12.7775 12.7804 k = 0.3333 0.5774 0.3029 ( 4182 PWs) bands (ev): -16.3551 -16.3546 -15.9242 -15.9237 -15.5672 -15.5652 -14.8629 -14.8613 -14.8237 -14.8227 -14.7790 -14.7775 -5.6028 -5.6005 -4.8153 -4.8141 -4.0691 -4.0664 -2.8266 -2.8230 -2.5569 -2.5567 -2.4072 -2.4055 -0.7541 -0.7539 -0.3501 -0.3376 -0.3330 -0.3194 0.4813 0.4855 0.5059 0.5065 0.5630 0.5633 1.2852 1.2884 1.3137 1.3206 1.5343 1.5354 1.8709 1.8779 1.8864 1.8944 2.1525 2.1542 11.4617 11.4639 11.9149 11.9188 12.2001 12.2075 12.6380 12.6485 12.7653 12.7679 k = 0.3333 0.5774 0.3180 ( 4176 PWs) bands (ev): -16.3578 -16.3574 -15.9060 -15.9054 -15.5827 -15.5806 -14.8653 -14.8639 -14.8214 -14.8205 -14.7803 -14.7790 -5.5686 -5.5662 -4.8550 -4.8536 -4.0667 -4.0642 -2.8139 -2.8102 -2.5473 -2.5472 -2.4335 -2.4317 -0.7624 -0.7622 -0.3499 -0.3371 -0.3323 -0.3185 0.4856 0.4898 0.5128 0.5137 0.5590 0.5594 1.3159 1.3190 1.3386 1.3455 1.5478 1.5491 1.8606 1.8672 1.8672 1.8750 2.1246 2.1264 11.4686 11.4706 11.9562 11.9601 12.2232 12.2306 12.6254 12.6364 12.7516 12.7537 k = 0.3333 0.5774 0.3332 ( 4176 PWs) bands (ev): -16.3603 -16.3598 -15.8876 -15.8870 -15.5986 -15.5966 -14.8674 -14.8662 -14.8191 -14.8182 -14.7818 -14.7806 -5.5333 -5.5309 -4.8951 -4.8935 -4.0646 -4.0624 -2.8001 -2.7964 -2.5387 -2.5386 -2.4597 -2.4578 -0.7697 -0.7695 -0.3495 -0.3364 -0.3320 -0.3180 0.4904 0.4946 0.5188 0.5199 0.5549 0.5554 1.3460 1.3491 1.3641 1.3711 1.5602 1.5617 1.8472 1.8514 1.8545 1.8580 2.0966 2.0985 11.4751 11.4769 11.9983 12.0022 12.2454 12.2527 12.6137 12.6253 12.7360 12.7376 k = 0.3333 0.5774 0.3483 ( 4167 PWs) bands (ev): -16.3624 -16.3620 -15.8691 -15.8684 -15.6149 -15.6130 -14.8693 -14.8682 -14.8166 -14.8159 -14.7835 -14.7824 -5.4971 -5.4946 -4.9356 -4.9339 -4.0628 -4.0608 -2.7852 -2.7816 -2.5310 -2.5309 -2.4856 -2.4836 -0.7761 -0.7760 -0.3489 -0.3356 -0.3322 -0.3180 0.4955 0.4996 0.5238 0.5251 0.5508 0.5514 1.3753 1.3784 1.3900 1.3969 1.5709 1.5725 1.8266 1.8338 1.8439 1.8501 2.0686 2.0706 11.4811 11.4827 12.0410 12.0450 12.2661 12.2732 12.6031 12.6151 12.7186 12.7195 k = 0.3333 0.5774 0.3634 ( 4167 PWs) bands (ev): -16.3642 -16.3639 -15.8505 -15.8497 -15.6316 -15.6298 -14.8710 -14.8701 -14.8141 -14.8135 -14.7853 -14.7844 -5.4600 -5.4575 -4.9764 -4.9746 -4.0612 -4.0594 -2.7693 -2.7657 -2.5246 -2.5242 -2.5110 -2.5090 -0.7816 -0.7815 -0.3481 -0.3347 -0.3327 -0.3184 0.5007 0.5049 0.5277 0.5291 0.5469 0.5476 1.4037 1.4067 1.4158 1.4227 1.5791 1.5809 1.8058 1.8127 1.8390 1.8447 2.0408 2.0429 11.4866 11.4879 12.0839 12.0879 12.2849 12.2916 12.5936 12.6060 12.6992 12.6993 k = 0.3333 0.5774 0.3786 ( 4173 PWs) bands (ev): -16.3657 -16.3654 -15.8319 -15.8310 -15.6488 -15.6470 -14.8724 -14.8716 -14.8116 -14.8112 -14.7872 -14.7865 -5.4221 -5.4196 -5.0175 -5.0155 -4.0598 -4.0584 -2.7524 -2.7489 -2.5368 -2.5341 -2.5185 -2.5183 -0.7863 -0.7862 -0.3472 -0.3336 -0.3336 -0.3191 0.5060 0.5101 0.5305 0.5320 0.5434 0.5441 1.4311 1.4340 1.4411 1.4478 1.5841 1.5861 1.7851 1.7916 1.8373 1.8427 2.0133 2.0156 11.4914 11.4925 12.1264 12.1303 12.3010 12.3070 12.5852 12.5980 12.6774 12.6783 k = 0.3333 0.5774 0.3937 ( 4176 PWs) bands (ev): -16.3669 -16.3667 -15.8132 -15.8122 -15.6662 -15.6645 -14.8736 -14.8730 -14.8090 -14.8087 -14.7892 -14.7887 -5.3834 -5.3809 -5.0587 -5.0566 -4.0587 -4.0575 -2.7346 -2.7311 -2.5614 -2.5587 -2.5138 -2.5137 -0.7900 -0.7900 -0.3461 -0.3347 -0.3324 -0.3201 0.5111 0.5151 0.5321 0.5336 0.5404 0.5413 1.4572 1.4600 1.4651 1.4716 1.5849 1.5871 1.7651 1.7710 1.8397 1.8447 1.9865 1.9889 11.4954 11.4963 12.1678 12.1716 12.3134 12.3184 12.5784 12.5914 12.6544 12.6567 k = 0.3333 0.5774 0.4089 ( 4182 PWs) bands (ev): -16.3679 -16.3677 -15.7945 -15.7934 -15.6840 -15.6824 -14.8745 -14.8740 -14.8063 -14.8063 -14.7913 -14.7910 -5.3442 -5.3416 -5.1000 -5.0978 -4.0578 -4.0569 -2.7158 -2.7124 -2.5856 -2.5827 -2.5101 -2.5101 -0.7929 -0.7929 -0.3448 -0.3360 -0.3311 -0.3214 0.5159 0.5199 0.5327 0.5340 0.5379 0.5391 1.4818 1.4842 1.4870 1.4933 1.5813 1.5837 1.7467 1.7519 1.8465 1.8511 1.9606 1.9631 11.4987 11.4993 12.2072 12.2108 12.3209 12.3246 12.5735 12.5866 12.6316 12.6355 k = 0.3333 0.5774 0.4240 ( 4185 PWs) bands (ev): -16.3686 -16.3684 -15.7758 -15.7746 -15.7020 -15.7004 -14.8751 -14.8748 -14.8040 -14.8037 -14.7935 -14.7934 -5.3043 -5.3018 -5.1413 -5.1390 -4.0571 -4.0565 -2.6961 -2.6927 -2.6091 -2.6062 -2.5075 -2.5075 -0.7950 -0.7949 -0.3435 -0.3374 -0.3297 -0.3227 0.5202 0.5242 0.5324 0.5335 0.5362 0.5374 1.5047 1.5054 1.5056 1.5124 1.5734 1.5759 1.7315 1.7354 1.8576 1.8620 1.9360 1.9386 11.5011 11.5015 12.2433 12.2464 12.3222 12.3242 12.5714 12.5842 12.6107 12.6163 k = 0.3333 0.5774 0.4392 ( 4185 PWs) bands (ev): -16.3689 -16.3689 -15.7572 -15.7559 -15.7202 -15.7188 -14.8755 -14.8753 -14.8019 -14.8011 -14.7960 -14.7953 -5.2641 -5.2616 -5.1824 -5.1801 -4.0566 -4.0564 -2.6755 -2.6723 -2.6320 -2.6289 -2.5059 -2.5059 -0.7962 -0.7962 -0.3420 -0.3389 -0.3284 -0.3240 0.5237 0.5278 0.5313 0.5324 0.5352 0.5361 1.5184 1.5195 1.5252 1.5308 1.5618 1.5640 1.7215 1.7236 1.8724 1.8767 1.9132 1.9157 11.5025 11.5028 12.2745 12.2767 12.3157 12.3159 12.5727 12.5852 12.5938 12.6010 k = 0.3333 0.5774 0.4543 ( 4200 PWs) bands (ev): -16.3691 -16.3691 -15.7399 -15.7374 -15.7372 -15.7372 -14.8755 -14.8755 -14.8009 -14.7985 -14.7985 -14.7963 -5.2257 -5.2210 -5.2210 -5.2210 -4.0564 -4.0564 -2.6542 -2.6542 -2.6515 -2.6505 -2.5054 -2.5054 -0.7966 -0.7966 -0.3405 -0.3405 -0.3277 -0.3247 0.5254 0.5304 0.5306 0.5306 0.5352 0.5352 1.5236 1.5236 1.5385 1.5487 1.5487 1.5514 1.7186 1.7186 1.8863 1.8948 1.8948 1.8967 11.5031 11.5031 12.2975 12.2992 12.2992 12.3032 12.5759 12.5850 12.5906 12.5906 Writing output data file SiO2.save init_run : 0.47s CPU 0.86s WALL ( 1 calls) electrons : 563.60s CPU 566.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.22s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 563.59s CPU 566.10s 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 ( 303 calls) cegterg : 544.73s CPU 547.03s WALL ( 1097 calls) Called by sum_band: Called by *egterg: h_psi : 283.58s CPU 291.62s WALL ( 21628 calls) s_psi : 10.40s CPU 11.24s WALL ( 21628 calls) g_psi : 0.79s CPU 0.81s WALL ( 20228 calls) cdiaghg : 208.62s CPU 205.92s WALL ( 20531 calls) cegterg:over : 18.04s CPU 17.59s WALL ( 20228 calls) cegterg:upda : 7.90s CPU 10.52s WALL ( 20228 calls) cegterg:last : 4.52s CPU 5.35s WALL ( 2503 calls) Called by h_psi: h_psi:vloc : 269.03s CPU 271.88s WALL ( 21628 calls) h_psi:vnl : 14.36s CPU 19.26s WALL ( 21628 calls) add_vuspsi : 5.51s CPU 8.14s WALL ( 21628 calls) General routines calbec : 8.83s CPU 11.06s WALL ( 21628 calls) fft : 0.04s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 266.11s CPU 259.90s WALL ( 1731764 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.02s CPU 0.20s WALL ( 606 calls) Parallel routines fft_scatter : 239.89s CPU 148.39s WALL ( 1731787 calls) PWSCF : 9m44.67s CPU 10m 9.55s WALL This run was terminated on: 0:47:57 28Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=