Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:51:44 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./B9N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 80 43 12 3555 1403 213 Max 81 44 13 3559 1438 216 Sum 2889 1577 441 128035 51057 7723 bravais-lattice index = 14 lattice parameter (alat) = 12.5276 a.u. unit-cell volume = 1293.1839 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.527642 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.149529 celldm(5)= -0.149529 celldm(6)= -0.700942 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.700942 0.713218 0.000000 ) a(3) = ( -0.149529 -0.356609 0.922210 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.982787 0.542176 ) b(2) = ( 0.000000 1.402095 0.542176 ) b(3) = ( 0.000000 0.000000 1.084352 ) PseudoPot. # 1 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 B 3.00 10.81100 B( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 260 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 2) = ( 0.0000000 0.0000000 0.0208529), wk = 0.0038462 k( 3) = ( 0.0000000 0.0000000 0.0417058), wk = 0.0038462 k( 4) = ( 0.0000000 0.0000000 0.0625588), wk = 0.0038462 k( 5) = ( 0.0000000 0.0000000 0.0834117), wk = 0.0038462 k( 6) = ( 0.0000000 0.0000000 0.1042646), wk = 0.0038462 k( 7) = ( 0.0000000 0.0000000 0.1251175), wk = 0.0038462 k( 8) = ( 0.0000000 0.0000000 0.1459704), wk = 0.0038462 k( 9) = ( 0.0000000 0.0000000 0.1668234), wk = 0.0038462 k( 10) = ( 0.0000000 0.0000000 0.1876763), wk = 0.0038462 k( 11) = ( 0.0000000 0.0000000 0.2085292), wk = 0.0038462 k( 12) = ( 0.0000000 0.0000000 0.2293821), wk = 0.0038462 k( 13) = ( 0.0000000 0.0000000 0.2502351), wk = 0.0038462 k( 14) = ( 0.0000000 0.0000000 0.2710880), wk = 0.0038462 k( 15) = ( 0.0000000 0.0000000 0.2919409), wk = 0.0038462 k( 16) = ( 0.0000000 0.0000000 0.3127938), wk = 0.0038462 k( 17) = ( 0.0000000 0.0000000 0.3336468), wk = 0.0038462 k( 18) = ( 0.0000000 0.0000000 0.3544997), wk = 0.0038462 k( 19) = ( 0.0000000 0.0000000 0.3753526), wk = 0.0038462 k( 20) = ( 0.0000000 0.0000000 0.3962055), wk = 0.0038462 k( 21) = ( 0.0000000 0.0000000 0.4170584), wk = 0.0038462 k( 22) = ( 0.0000000 0.0000000 0.4379114), wk = 0.0038462 k( 23) = ( 0.0000000 0.0000000 0.4587643), wk = 0.0038462 k( 24) = ( 0.0000000 0.0000000 0.4796172), wk = 0.0038462 k( 25) = ( 0.0000000 0.0000000 0.5004701), wk = 0.0038462 k( 26) = ( 0.0000000 0.0000000 0.5213231), wk = 0.0038462 k( 27) = ( 0.0000000 0.0000000 0.5421760), wk = 0.0038462 k( 28) = ( 0.0000000 0.0000000 0.5421760), wk = 0.0038462 k( 29) = ( -0.0192308 0.0080636 0.5421760), wk = 0.0038462 k( 30) = ( -0.0384615 0.0161272 0.5421760), wk = 0.0038462 k( 31) = ( -0.0576923 0.0241908 0.5421760), wk = 0.0038462 k( 32) = ( -0.0769231 0.0322545 0.5421760), wk = 0.0038462 k( 33) = ( -0.0961538 0.0403181 0.5421760), wk = 0.0038462 k( 34) = ( -0.1153846 0.0483817 0.5421760), wk = 0.0038462 k( 35) = ( -0.1346154 0.0564453 0.5421760), wk = 0.0038462 k( 36) = ( -0.1538461 0.0645089 0.5421760), wk = 0.0038462 k( 37) = ( -0.1730769 0.0725725 0.5421760), wk = 0.0038462 k( 38) = ( -0.1923077 0.0806361 0.5421760), wk = 0.0038462 k( 39) = ( -0.2115385 0.0886998 0.5421760), wk = 0.0038462 k( 40) = ( -0.2307692 0.0967634 0.5421760), wk = 0.0038462 k( 41) = ( -0.2500000 0.1048270 0.5421760), wk = 0.0038462 k( 42) = ( -0.2692308 0.1128906 0.5421760), wk = 0.0038462 k( 43) = ( -0.2884615 0.1209542 0.5421760), wk = 0.0038462 k( 44) = ( -0.3076923 0.1290178 0.5421760), wk = 0.0038462 k( 45) = ( -0.3269231 0.1370814 0.5421760), wk = 0.0038462 k( 46) = ( -0.3461538 0.1451451 0.5421760), wk = 0.0038462 k( 47) = ( -0.3653846 0.1532087 0.5421760), wk = 0.0038462 k( 48) = ( -0.3846154 0.1612723 0.5421760), wk = 0.0038462 k( 49) = ( -0.4038462 0.1693359 0.5421760), wk = 0.0038462 k( 50) = ( -0.4230769 0.1773995 0.5421760), wk = 0.0038462 k( 51) = ( -0.4423077 0.1854631 0.5421760), wk = 0.0038462 k( 52) = ( -0.4615385 0.1935267 0.5421760), wk = 0.0038462 k( 53) = ( -0.4807692 0.2015904 0.5421760), wk = 0.0038462 k( 54) = ( -0.5000000 0.2096540 0.5421760), wk = 0.0038462 k( 55) = ( -0.5000000 0.2096540 0.5421760), wk = 0.0038462 k( 56) = ( -0.4864865 0.2039876 0.5275226), wk = 0.0038462 k( 57) = ( -0.4729730 0.1983213 0.5128692), wk = 0.0038462 k( 58) = ( -0.4594595 0.1926550 0.4982158), wk = 0.0038462 k( 59) = ( -0.4459459 0.1869887 0.4835624), wk = 0.0038462 k( 60) = ( -0.4324324 0.1813224 0.4689089), wk = 0.0038462 k( 61) = ( -0.4189189 0.1756560 0.4542555), wk = 0.0038462 k( 62) = ( -0.4054054 0.1699897 0.4396021), wk = 0.0038462 k( 63) = ( -0.3918919 0.1643234 0.4249487), wk = 0.0038462 k( 64) = ( -0.3783784 0.1586571 0.4102953), wk = 0.0038462 k( 65) = ( -0.3648649 0.1529907 0.3956419), wk = 0.0038462 k( 66) = ( -0.3513514 0.1473244 0.3809885), wk = 0.0038462 k( 67) = ( -0.3378378 0.1416581 0.3663351), wk = 0.0038462 k( 68) = ( -0.3243243 0.1359918 0.3516817), wk = 0.0038462 k( 69) = ( -0.3108108 0.1303254 0.3370283), wk = 0.0038462 k( 70) = ( -0.2972973 0.1246591 0.3223749), wk = 0.0038462 k( 71) = ( -0.2837838 0.1189928 0.3077215), wk = 0.0038462 k( 72) = ( -0.2702703 0.1133265 0.2930681), wk = 0.0038462 k( 73) = ( -0.2567568 0.1076601 0.2784147), wk = 0.0038462 k( 74) = ( -0.2432432 0.1019938 0.2637613), wk = 0.0038462 k( 75) = ( -0.2297297 0.0963275 0.2491079), wk = 0.0038462 k( 76) = ( -0.2162162 0.0906612 0.2344545), wk = 0.0038462 k( 77) = ( -0.2027027 0.0849949 0.2198011), wk = 0.0038462 k( 78) = ( -0.1891892 0.0793285 0.2051477), wk = 0.0038462 k( 79) = ( -0.1756757 0.0736622 0.1904943), wk = 0.0038462 k( 80) = ( -0.1621622 0.0679959 0.1758409), wk = 0.0038462 k( 81) = ( -0.1486486 0.0623296 0.1611875), wk = 0.0038462 k( 82) = ( -0.1351351 0.0566632 0.1465341), wk = 0.0038462 k( 83) = ( -0.1216216 0.0509969 0.1318806), wk = 0.0038462 k( 84) = ( -0.1081081 0.0453306 0.1172272), wk = 0.0038462 k( 85) = ( -0.0945946 0.0396643 0.1025738), wk = 0.0038462 k( 86) = ( -0.0810811 0.0339979 0.0879204), wk = 0.0038462 k( 87) = ( -0.0675676 0.0283316 0.0732670), wk = 0.0038462 k( 88) = ( -0.0540540 0.0226653 0.0586136), wk = 0.0038462 k( 89) = ( -0.0405405 0.0169990 0.0439602), wk = 0.0038462 k( 90) = ( -0.0270270 0.0113326 0.0293068), wk = 0.0038462 k( 91) = ( -0.0135135 0.0056663 0.0146534), wk = 0.0038462 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 94) = ( 0.0080455 0.0191875 -0.0000000), wk = 0.0038462 k( 95) = ( 0.0160909 0.0383750 -0.0000000), wk = 0.0038462 k( 96) = ( 0.0241364 0.0575625 -0.0000000), wk = 0.0038462 k( 97) = ( 0.0321819 0.0767499 -0.0000000), wk = 0.0038462 k( 98) = ( 0.0402273 0.0959374 -0.0000000), wk = 0.0038462 k( 99) = ( 0.0482728 0.1151249 -0.0000000), wk = 0.0038462 k( 100) = ( 0.0563183 0.1343124 -0.0000000), wk = 0.0038462 k( 101) = ( 0.0643637 0.1534999 -0.0000000), wk = 0.0038462 k( 102) = ( 0.0724092 0.1726874 -0.0000000), wk = 0.0038462 k( 103) = ( 0.0804547 0.1918749 -0.0000000), wk = 0.0038462 k( 104) = ( 0.0885001 0.2110624 -0.0000000), wk = 0.0038462 k( 105) = ( 0.0965456 0.2302498 -0.0000000), wk = 0.0038462 k( 106) = ( 0.1045911 0.2494373 -0.0000000), wk = 0.0038462 k( 107) = ( 0.1126365 0.2686248 -0.0000000), wk = 0.0038462 k( 108) = ( 0.1206820 0.2878123 -0.0000000), wk = 0.0038462 k( 109) = ( 0.1287275 0.3069998 -0.0000000), wk = 0.0038462 k( 110) = ( 0.1367729 0.3261873 -0.0000000), wk = 0.0038462 k( 111) = ( 0.1448184 0.3453748 -0.0000000), wk = 0.0038462 k( 112) = ( 0.1528639 0.3645623 -0.0000000), wk = 0.0038462 k( 113) = ( 0.1609093 0.3837498 -0.0000000), wk = 0.0038462 k( 114) = ( 0.1689548 0.4029373 -0.0000000), wk = 0.0038462 k( 115) = ( 0.1770002 0.4221247 -0.0000000), wk = 0.0038462 k( 116) = ( 0.1850457 0.4413122 -0.0000000), wk = 0.0038462 k( 117) = ( 0.1930912 0.4604997 -0.0000000), wk = 0.0038462 k( 118) = ( 0.2011367 0.4796872 -0.0000000), wk = 0.0038462 k( 119) = ( 0.2091821 0.4988747 -0.0000000), wk = 0.0038462 k( 120) = ( 0.2172276 0.5180622 -0.0000000), wk = 0.0038462 k( 121) = ( 0.2252731 0.5372497 -0.0000000), wk = 0.0038462 k( 122) = ( 0.2333185 0.5564372 -0.0000000), wk = 0.0038462 k( 123) = ( 0.2413640 0.5756246 -0.0000000), wk = 0.0038462 k( 124) = ( 0.2494095 0.5948121 -0.0000000), wk = 0.0038462 k( 125) = ( 0.2574549 0.6139996 -0.0000000), wk = 0.0038462 k( 126) = ( 0.2655004 0.6331871 -0.0000000), wk = 0.0038462 k( 127) = ( 0.2735458 0.6523746 -0.0000000), wk = 0.0038462 k( 128) = ( 0.2815913 0.6715621 -0.0000000), wk = 0.0038462 k( 129) = ( 0.2896368 0.6907496 -0.0000000), wk = 0.0038462 k( 130) = ( 0.2976822 0.7099370 -0.0000000), wk = 0.0038462 k( 131) = ( 0.3057277 0.7291245 -0.0000000), wk = 0.0038462 k( 132) = ( 0.3137732 0.7483120 -0.0000000), wk = 0.0038462 k( 133) = ( 0.3218186 0.7674995 -0.0000000), wk = 0.0038462 k( 134) = ( 0.3298641 0.7866870 -0.0000000), wk = 0.0038462 k( 135) = ( 0.3379096 0.8058745 -0.0000000), wk = 0.0038462 k( 136) = ( 0.3379096 0.8058745 -0.0000000), wk = 0.0038462 k( 137) = ( 0.3347699 0.7983869 0.0193634), wk = 0.0038462 k( 138) = ( 0.3316303 0.7908992 0.0387269), wk = 0.0038462 k( 139) = ( 0.3284907 0.7834116 0.0580903), wk = 0.0038462 k( 140) = ( 0.3253511 0.7759239 0.0774537), wk = 0.0038462 k( 141) = ( 0.3222114 0.7684363 0.0968171), wk = 0.0038462 k( 142) = ( 0.3190718 0.7609486 0.1161806), wk = 0.0038462 k( 143) = ( 0.3159322 0.7534610 0.1355440), wk = 0.0038462 k( 144) = ( 0.3127926 0.7459733 0.1549074), wk = 0.0038462 k( 145) = ( 0.3096529 0.7384857 0.1742709), wk = 0.0038462 k( 146) = ( 0.3065133 0.7309981 0.1936343), wk = 0.0038462 k( 147) = ( 0.3033737 0.7235104 0.2129977), wk = 0.0038462 k( 148) = ( 0.3002340 0.7160228 0.2323611), wk = 0.0038462 k( 149) = ( 0.2970944 0.7085352 0.2517246), wk = 0.0038462 k( 150) = ( 0.2939548 0.7010475 0.2710880), wk = 0.0038462 k( 151) = ( 0.2908152 0.6935599 0.2904514), wk = 0.0038462 k( 152) = ( 0.2876755 0.6860722 0.3098148), wk = 0.0038462 k( 153) = ( 0.2845359 0.6785846 0.3291783), wk = 0.0038462 k( 154) = ( 0.2813963 0.6710969 0.3485417), wk = 0.0038462 k( 155) = ( 0.2782566 0.6636093 0.3679051), wk = 0.0038462 k( 156) = ( 0.2751170 0.6561217 0.3872686), wk = 0.0038462 k( 157) = ( 0.2719774 0.6486340 0.4066320), wk = 0.0038462 k( 158) = ( 0.2688378 0.6411464 0.4259954), wk = 0.0038462 k( 159) = ( 0.2656981 0.6336587 0.4453588), wk = 0.0038462 k( 160) = ( 0.2625585 0.6261711 0.4647223), wk = 0.0038462 k( 161) = ( 0.2594189 0.6186834 0.4840857), wk = 0.0038462 k( 162) = ( 0.2562793 0.6111958 0.5034491), wk = 0.0038462 k( 163) = ( 0.2531396 0.6037082 0.5228126), wk = 0.0038462 k( 164) = ( 0.2500000 0.5962205 0.5421760), wk = 0.0038462 k( 165) = ( 0.2500000 0.5962205 0.5421760), wk = 0.0038462 k( 166) = ( 0.2368421 0.6017377 0.5279082), wk = 0.0038462 k( 167) = ( 0.2236842 0.6072549 0.5136404), wk = 0.0038462 k( 168) = ( 0.2105263 0.6127721 0.4993726), wk = 0.0038462 k( 169) = ( 0.1973684 0.6182894 0.4851048), wk = 0.0038462 k( 170) = ( 0.1842105 0.6238066 0.4708370), wk = 0.0038462 k( 171) = ( 0.1710526 0.6293238 0.4565692), wk = 0.0038462 k( 172) = ( 0.1578947 0.6348410 0.4423015), wk = 0.0038462 k( 173) = ( 0.1447368 0.6403582 0.4280337), wk = 0.0038462 k( 174) = ( 0.1315790 0.6458754 0.4137659), wk = 0.0038462 k( 175) = ( 0.1184210 0.6513926 0.3994981), wk = 0.0038462 k( 176) = ( 0.1052632 0.6569098 0.3852303), wk = 0.0038462 k( 177) = ( 0.0921053 0.6624270 0.3709625), wk = 0.0038462 k( 178) = ( 0.0789474 0.6679442 0.3566947), wk = 0.0038462 k( 179) = ( 0.0657895 0.6734615 0.3424269), wk = 0.0038462 k( 180) = ( 0.0526316 0.6789787 0.3281591), wk = 0.0038462 k( 181) = ( 0.0394737 0.6844959 0.3138913), wk = 0.0038462 k( 182) = ( 0.0263158 0.6900131 0.2996236), wk = 0.0038462 k( 183) = ( 0.0131579 0.6955303 0.2853558), wk = 0.0038462 k( 184) = ( 0.0000000 0.7010475 0.2710880), wk = 0.0038462 k( 185) = ( 0.0000000 0.7010475 0.2710880), wk = 0.0038462 k( 186) = ( -0.0153595 0.6962826 0.2834102), wk = 0.0038462 k( 187) = ( -0.0307191 0.6915178 0.2957323), wk = 0.0038462 k( 188) = ( -0.0460786 0.6867529 0.3080545), wk = 0.0038462 k( 189) = ( -0.0614381 0.6819881 0.3203767), wk = 0.0038462 k( 190) = ( -0.0767976 0.6772232 0.3326989), wk = 0.0038462 k( 191) = ( -0.0921572 0.6724583 0.3450211), wk = 0.0038462 k( 192) = ( -0.1075167 0.6676935 0.3573433), wk = 0.0038462 k( 193) = ( -0.1228762 0.6629286 0.3696654), wk = 0.0038462 k( 194) = ( -0.1382357 0.6581637 0.3819876), wk = 0.0038462 k( 195) = ( -0.1535953 0.6533989 0.3943098), wk = 0.0038462 k( 196) = ( -0.1689548 0.6486340 0.4066320), wk = 0.0038462 k( 197) = ( -0.1843143 0.6438692 0.4189542), wk = 0.0038462 k( 198) = ( -0.1996738 0.6391043 0.4312763), wk = 0.0038462 k( 199) = ( -0.2150334 0.6343394 0.4435985), wk = 0.0038462 k( 200) = ( -0.2303929 0.6295746 0.4559207), wk = 0.0038462 k( 201) = ( -0.2457524 0.6248097 0.4682429), wk = 0.0038462 k( 202) = ( -0.2611119 0.6200448 0.4805651), wk = 0.0038462 k( 203) = ( -0.2764715 0.6152800 0.4928873), wk = 0.0038462 k( 204) = ( -0.2918310 0.6105151 0.5052094), wk = 0.0038462 k( 205) = ( -0.3071905 0.6057502 0.5175316), wk = 0.0038462 k( 206) = ( -0.3225500 0.6009854 0.5298538), wk = 0.0038462 k( 207) = ( -0.3379096 0.5962205 0.5421760), wk = 0.0038462 k( 208) = ( -0.3379096 0.5962205 0.5421760), wk = 0.0038462 k( 209) = ( -0.3460141 0.5768922 0.5421760), wk = 0.0038462 k( 210) = ( -0.3541186 0.5575639 0.5421760), wk = 0.0038462 k( 211) = ( -0.3622231 0.5382355 0.5421760), wk = 0.0038462 k( 212) = ( -0.3703277 0.5189072 0.5421760), wk = 0.0038462 k( 213) = ( -0.3784322 0.4995789 0.5421760), wk = 0.0038462 k( 214) = ( -0.3865367 0.4802506 0.5421760), wk = 0.0038462 k( 215) = ( -0.3946412 0.4609222 0.5421760), wk = 0.0038462 k( 216) = ( -0.4027458 0.4415939 0.5421760), wk = 0.0038462 k( 217) = ( -0.4108503 0.4222656 0.5421760), wk = 0.0038462 k( 218) = ( -0.4189548 0.4029372 0.5421760), wk = 0.0038462 k( 219) = ( -0.4270593 0.3836089 0.5421760), wk = 0.0038462 k( 220) = ( -0.4351638 0.3642806 0.5421760), wk = 0.0038462 k( 221) = ( -0.4432683 0.3449523 0.5421760), wk = 0.0038462 k( 222) = ( -0.4513729 0.3256239 0.5421760), wk = 0.0038462 k( 223) = ( -0.4594774 0.3062956 0.5421760), wk = 0.0038462 k( 224) = ( -0.4675819 0.2869673 0.5421760), wk = 0.0038462 k( 225) = ( -0.4756864 0.2676389 0.5421760), wk = 0.0038462 k( 226) = ( -0.4837910 0.2483106 0.5421760), wk = 0.0038462 k( 227) = ( -0.4918955 0.2289823 0.5421760), wk = 0.0038462 k( 228) = ( -0.5000000 0.2096540 0.5421760), wk = 0.0038462 k( 229) = ( 0.0000000 0.0000000 0.5421760), wk = 0.0038462 k( 230) = ( 0.0080645 0.0192329 0.5421760), wk = 0.0038462 k( 231) = ( 0.0161290 0.0384658 0.5421760), wk = 0.0038462 k( 232) = ( 0.0241936 0.0576988 0.5421760), wk = 0.0038462 k( 233) = ( 0.0322581 0.0769317 0.5421760), wk = 0.0038462 k( 234) = ( 0.0403226 0.0961646 0.5421760), wk = 0.0038462 k( 235) = ( 0.0483871 0.1153975 0.5421760), wk = 0.0038462 k( 236) = ( 0.0564516 0.1346304 0.5421760), wk = 0.0038462 k( 237) = ( 0.0645161 0.1538634 0.5421760), wk = 0.0038462 k( 238) = ( 0.0725806 0.1730963 0.5421760), wk = 0.0038462 k( 239) = ( 0.0806452 0.1923292 0.5421760), wk = 0.0038462 k( 240) = ( 0.0887097 0.2115621 0.5421760), wk = 0.0038462 k( 241) = ( 0.0967742 0.2307950 0.5421760), wk = 0.0038462 k( 242) = ( 0.1048387 0.2500280 0.5421760), wk = 0.0038462 k( 243) = ( 0.1129032 0.2692609 0.5421760), wk = 0.0038462 k( 244) = ( 0.1209677 0.2884938 0.5421760), wk = 0.0038462 k( 245) = ( 0.1290323 0.3077267 0.5421760), wk = 0.0038462 k( 246) = ( 0.1370968 0.3269596 0.5421760), wk = 0.0038462 k( 247) = ( 0.1451613 0.3461926 0.5421760), wk = 0.0038462 k( 248) = ( 0.1532258 0.3654255 0.5421760), wk = 0.0038462 k( 249) = ( 0.1612903 0.3846584 0.5421760), wk = 0.0038462 k( 250) = ( 0.1693548 0.4038913 0.5421760), wk = 0.0038462 k( 251) = ( 0.1774194 0.4231242 0.5421760), wk = 0.0038462 k( 252) = ( 0.1854839 0.4423572 0.5421760), wk = 0.0038462 k( 253) = ( 0.1935484 0.4615901 0.5421760), wk = 0.0038462 k( 254) = ( 0.2016129 0.4808230 0.5421760), wk = 0.0038462 k( 255) = ( 0.2096774 0.5000559 0.5421760), wk = 0.0038462 k( 256) = ( 0.2177419 0.5192889 0.5421760), wk = 0.0038462 k( 257) = ( 0.2258064 0.5385218 0.5421760), wk = 0.0038462 k( 258) = ( 0.2338710 0.5577547 0.5421760), wk = 0.0038462 k( 259) = ( 0.2419355 0.5769876 0.5421760), wk = 0.0038462 k( 260) = ( 0.2500000 0.5962205 0.5421760), wk = 0.0038462 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 2) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0038462 k( 3) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0038462 k( 4) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0038462 k( 5) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0038462 k( 6) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0038462 k( 7) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0038462 k( 8) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0038462 k( 9) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0038462 k( 10) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0038462 k( 11) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0038462 k( 12) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0038462 k( 13) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0038462 k( 14) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038462 k( 15) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0038462 k( 16) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0038462 k( 17) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0038462 k( 18) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0038462 k( 19) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0038462 k( 20) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0038462 k( 21) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0038462 k( 22) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0038462 k( 23) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0038462 k( 24) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0038462 k( 25) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0038462 k( 26) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0038462 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038462 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038462 k( 29) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0038462 k( 30) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0038462 k( 31) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0038462 k( 32) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0038462 k( 33) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0038462 k( 34) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0038462 k( 35) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0038462 k( 36) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0038462 k( 37) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0038462 k( 38) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0038462 k( 39) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0038462 k( 40) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0038462 k( 41) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0038462 k( 42) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0038462 k( 43) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0038462 k( 44) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0038462 k( 45) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0038462 k( 46) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0038462 k( 47) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0038462 k( 48) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0038462 k( 49) = ( -0.4038462 0.4038462 0.5000000), wk = 0.0038462 k( 50) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0038462 k( 51) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0038462 k( 52) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0038462 k( 53) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0038462 k( 54) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 55) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 56) = ( -0.4864865 0.4864865 0.4864865), wk = 0.0038462 k( 57) = ( -0.4729730 0.4729730 0.4729730), wk = 0.0038462 k( 58) = ( -0.4594595 0.4594595 0.4594595), wk = 0.0038462 k( 59) = ( -0.4459459 0.4459459 0.4459460), wk = 0.0038462 k( 60) = ( -0.4324324 0.4324324 0.4324324), wk = 0.0038462 k( 61) = ( -0.4189189 0.4189189 0.4189189), wk = 0.0038462 k( 62) = ( -0.4054054 0.4054054 0.4054054), wk = 0.0038462 k( 63) = ( -0.3918919 0.3918919 0.3918919), wk = 0.0038462 k( 64) = ( -0.3783784 0.3783784 0.3783784), wk = 0.0038462 k( 65) = ( -0.3648649 0.3648649 0.3648649), wk = 0.0038462 k( 66) = ( -0.3513514 0.3513513 0.3513514), wk = 0.0038462 k( 67) = ( -0.3378378 0.3378378 0.3378378), wk = 0.0038462 k( 68) = ( -0.3243243 0.3243243 0.3243243), wk = 0.0038462 k( 69) = ( -0.3108108 0.3108108 0.3108108), wk = 0.0038462 k( 70) = ( -0.2972973 0.2972973 0.2972973), wk = 0.0038462 k( 71) = ( -0.2837838 0.2837838 0.2837838), wk = 0.0038462 k( 72) = ( -0.2702703 0.2702703 0.2702703), wk = 0.0038462 k( 73) = ( -0.2567568 0.2567568 0.2567568), wk = 0.0038462 k( 74) = ( -0.2432432 0.2432432 0.2432432), wk = 0.0038462 k( 75) = ( -0.2297297 0.2297297 0.2297297), wk = 0.0038462 k( 76) = ( -0.2162162 0.2162162 0.2162162), wk = 0.0038462 k( 77) = ( -0.2027027 0.2027027 0.2027027), wk = 0.0038462 k( 78) = ( -0.1891892 0.1891892 0.1891892), wk = 0.0038462 k( 79) = ( -0.1756757 0.1756757 0.1756757), wk = 0.0038462 k( 80) = ( -0.1621622 0.1621622 0.1621622), wk = 0.0038462 k( 81) = ( -0.1486486 0.1486486 0.1486487), wk = 0.0038462 k( 82) = ( -0.1351351 0.1351351 0.1351351), wk = 0.0038462 k( 83) = ( -0.1216216 0.1216216 0.1216216), wk = 0.0038462 k( 84) = ( -0.1081081 0.1081081 0.1081081), wk = 0.0038462 k( 85) = ( -0.0945946 0.0945946 0.0945946), wk = 0.0038462 k( 86) = ( -0.0810811 0.0810811 0.0810811), wk = 0.0038462 k( 87) = ( -0.0675676 0.0675676 0.0675676), wk = 0.0038462 k( 88) = ( -0.0540540 0.0540540 0.0540541), wk = 0.0038462 k( 89) = ( -0.0405405 0.0405405 0.0405405), wk = 0.0038462 k( 90) = ( -0.0270270 0.0270270 0.0270270), wk = 0.0038462 k( 91) = ( -0.0135135 0.0135135 0.0135135), wk = 0.0038462 k( 92) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 93) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038462 k( 94) = ( 0.0080455 0.0080455 -0.0080455), wk = 0.0038462 k( 95) = ( 0.0160909 0.0160909 -0.0160909), wk = 0.0038462 k( 96) = ( 0.0241364 0.0241364 -0.0241364), wk = 0.0038462 k( 97) = ( 0.0321819 0.0321819 -0.0321819), wk = 0.0038462 k( 98) = ( 0.0402273 0.0402273 -0.0402273), wk = 0.0038462 k( 99) = ( 0.0482728 0.0482728 -0.0482728), wk = 0.0038462 k( 100) = ( 0.0563183 0.0563183 -0.0563183), wk = 0.0038462 k( 101) = ( 0.0643637 0.0643637 -0.0643637), wk = 0.0038462 k( 102) = ( 0.0724092 0.0724092 -0.0724092), wk = 0.0038462 k( 103) = ( 0.0804547 0.0804547 -0.0804547), wk = 0.0038462 k( 104) = ( 0.0885001 0.0885001 -0.0885001), wk = 0.0038462 k( 105) = ( 0.0965456 0.0965456 -0.0965456), wk = 0.0038462 k( 106) = ( 0.1045911 0.1045911 -0.1045911), wk = 0.0038462 k( 107) = ( 0.1126365 0.1126365 -0.1126365), wk = 0.0038462 k( 108) = ( 0.1206820 0.1206820 -0.1206820), wk = 0.0038462 k( 109) = ( 0.1287275 0.1287275 -0.1287275), wk = 0.0038462 k( 110) = ( 0.1367729 0.1367729 -0.1367729), wk = 0.0038462 k( 111) = ( 0.1448184 0.1448184 -0.1448184), wk = 0.0038462 k( 112) = ( 0.1528639 0.1528639 -0.1528639), wk = 0.0038462 k( 113) = ( 0.1609093 0.1609093 -0.1609093), wk = 0.0038462 k( 114) = ( 0.1689548 0.1689548 -0.1689548), wk = 0.0038462 k( 115) = ( 0.1770002 0.1770002 -0.1770002), wk = 0.0038462 k( 116) = ( 0.1850457 0.1850457 -0.1850457), wk = 0.0038462 k( 117) = ( 0.1930912 0.1930912 -0.1930912), wk = 0.0038462 k( 118) = ( 0.2011367 0.2011366 -0.2011367), wk = 0.0038462 k( 119) = ( 0.2091821 0.2091821 -0.2091821), wk = 0.0038462 k( 120) = ( 0.2172276 0.2172276 -0.2172276), wk = 0.0038462 k( 121) = ( 0.2252731 0.2252731 -0.2252731), wk = 0.0038462 k( 122) = ( 0.2333185 0.2333185 -0.2333185), wk = 0.0038462 k( 123) = ( 0.2413640 0.2413640 -0.2413640), wk = 0.0038462 k( 124) = ( 0.2494095 0.2494095 -0.2494095), wk = 0.0038462 k( 125) = ( 0.2574549 0.2574549 -0.2574549), wk = 0.0038462 k( 126) = ( 0.2655004 0.2655004 -0.2655004), wk = 0.0038462 k( 127) = ( 0.2735458 0.2735459 -0.2735459), wk = 0.0038462 k( 128) = ( 0.2815913 0.2815913 -0.2815913), wk = 0.0038462 k( 129) = ( 0.2896368 0.2896368 -0.2896368), wk = 0.0038462 k( 130) = ( 0.2976822 0.2976822 -0.2976822), wk = 0.0038462 k( 131) = ( 0.3057277 0.3057277 -0.3057277), wk = 0.0038462 k( 132) = ( 0.3137732 0.3137732 -0.3137732), wk = 0.0038462 k( 133) = ( 0.3218186 0.3218186 -0.3218186), wk = 0.0038462 k( 134) = ( 0.3298641 0.3298641 -0.3298641), wk = 0.0038462 k( 135) = ( 0.3379096 0.3379096 -0.3379096), wk = 0.0038462 k( 136) = ( 0.3379096 0.3379096 -0.3379096), wk = 0.0038462 k( 137) = ( 0.3347699 0.3347699 -0.3169128), wk = 0.0038462 k( 138) = ( 0.3316303 0.3316303 -0.2959160), wk = 0.0038462 k( 139) = ( 0.3284907 0.3284907 -0.2749193), wk = 0.0038462 k( 140) = ( 0.3253511 0.3253511 -0.2539225), wk = 0.0038462 k( 141) = ( 0.3222114 0.3222114 -0.2329257), wk = 0.0038462 k( 142) = ( 0.3190718 0.3190718 -0.2119289), wk = 0.0038462 k( 143) = ( 0.3159322 0.3159322 -0.1909322), wk = 0.0038462 k( 144) = ( 0.3127926 0.3127926 -0.1699354), wk = 0.0038462 k( 145) = ( 0.3096529 0.3096529 -0.1489386), wk = 0.0038462 k( 146) = ( 0.3065133 0.3065133 -0.1279419), wk = 0.0038462 k( 147) = ( 0.3033737 0.3033737 -0.1069451), wk = 0.0038462 k( 148) = ( 0.3002340 0.3002340 -0.0859483), wk = 0.0038462 k( 149) = ( 0.2970944 0.2970944 -0.0649516), wk = 0.0038462 k( 150) = ( 0.2939548 0.2939548 -0.0439548), wk = 0.0038462 k( 151) = ( 0.2908152 0.2908152 -0.0229580), wk = 0.0038462 k( 152) = ( 0.2876755 0.2876755 -0.0019613), wk = 0.0038462 k( 153) = ( 0.2845359 0.2845359 0.0190355), wk = 0.0038462 k( 154) = ( 0.2813963 0.2813963 0.0400323), wk = 0.0038462 k( 155) = ( 0.2782566 0.2782566 0.0610291), wk = 0.0038462 k( 156) = ( 0.2751170 0.2751170 0.0820258), wk = 0.0038462 k( 157) = ( 0.2719774 0.2719774 0.1030226), wk = 0.0038462 k( 158) = ( 0.2688378 0.2688378 0.1240194), wk = 0.0038462 k( 159) = ( 0.2656981 0.2656981 0.1450162), wk = 0.0038462 k( 160) = ( 0.2625585 0.2625585 0.1660129), wk = 0.0038462 k( 161) = ( 0.2594189 0.2594189 0.1870097), wk = 0.0038462 k( 162) = ( 0.2562793 0.2562793 0.2080065), wk = 0.0038462 k( 163) = ( 0.2531396 0.2531396 0.2290032), wk = 0.0038462 k( 164) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038462 k( 165) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038462 k( 166) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0038462 k( 167) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0038462 k( 168) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0038462 k( 169) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0038462 k( 170) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0038462 k( 171) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0038462 k( 172) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0038462 k( 173) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0038462 k( 174) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0038462 k( 175) = ( 0.1184210 0.3815789 0.1184210), wk = 0.0038462 k( 176) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0038462 k( 177) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0038462 k( 178) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0038462 k( 179) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0038462 k( 180) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0038462 k( 181) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0038462 k( 182) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0038462 k( 183) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0038462 k( 184) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038462 k( 185) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038462 k( 186) = ( -0.0153595 0.5073678 0.0153595), wk = 0.0038462 k( 187) = ( -0.0307191 0.5147355 0.0307191), wk = 0.0038462 k( 188) = ( -0.0460786 0.5221032 0.0460786), wk = 0.0038462 k( 189) = ( -0.0614381 0.5294710 0.0614381), wk = 0.0038462 k( 190) = ( -0.0767976 0.5368387 0.0767976), wk = 0.0038462 k( 191) = ( -0.0921572 0.5442065 0.0921572), wk = 0.0038462 k( 192) = ( -0.1075167 0.5515742 0.1075167), wk = 0.0038462 k( 193) = ( -0.1228762 0.5589420 0.1228762), wk = 0.0038462 k( 194) = ( -0.1382357 0.5663097 0.1382357), wk = 0.0038462 k( 195) = ( -0.1535953 0.5736775 0.1535953), wk = 0.0038462 k( 196) = ( -0.1689548 0.5810452 0.1689548), wk = 0.0038462 k( 197) = ( -0.1843143 0.5884130 0.1843143), wk = 0.0038462 k( 198) = ( -0.1996738 0.5957807 0.1996738), wk = 0.0038462 k( 199) = ( -0.2150334 0.6031484 0.2150334), wk = 0.0038462 k( 200) = ( -0.2303929 0.6105162 0.2303929), wk = 0.0038462 k( 201) = ( -0.2457524 0.6178839 0.2457524), wk = 0.0038462 k( 202) = ( -0.2611119 0.6252517 0.2611119), wk = 0.0038462 k( 203) = ( -0.2764715 0.6326194 0.2764715), wk = 0.0038462 k( 204) = ( -0.2918310 0.6399872 0.2918310), wk = 0.0038462 k( 205) = ( -0.3071905 0.6473549 0.3071905), wk = 0.0038462 k( 206) = ( -0.3225500 0.6547227 0.3225501), wk = 0.0038462 k( 207) = ( -0.3379096 0.6620904 0.3379096), wk = 0.0038462 k( 208) = ( -0.3379096 0.6620904 0.3379096), wk = 0.0038462 k( 209) = ( -0.3460141 0.6539859 0.3460141), wk = 0.0038462 k( 210) = ( -0.3541186 0.6458814 0.3541186), wk = 0.0038462 k( 211) = ( -0.3622231 0.6377769 0.3622231), wk = 0.0038462 k( 212) = ( -0.3703277 0.6296723 0.3703277), wk = 0.0038462 k( 213) = ( -0.3784322 0.6215678 0.3784322), wk = 0.0038462 k( 214) = ( -0.3865367 0.6134633 0.3865367), wk = 0.0038462 k( 215) = ( -0.3946412 0.6053588 0.3946412), wk = 0.0038462 k( 216) = ( -0.4027458 0.5972542 0.4027458), wk = 0.0038462 k( 217) = ( -0.4108503 0.5891497 0.4108503), wk = 0.0038462 k( 218) = ( -0.4189548 0.5810452 0.4189548), wk = 0.0038462 k( 219) = ( -0.4270593 0.5729407 0.4270593), wk = 0.0038462 k( 220) = ( -0.4351638 0.5648362 0.4351638), wk = 0.0038462 k( 221) = ( -0.4432683 0.5567317 0.4432683), wk = 0.0038462 k( 222) = ( -0.4513729 0.5486271 0.4513729), wk = 0.0038462 k( 223) = ( -0.4594774 0.5405226 0.4594774), wk = 0.0038462 k( 224) = ( -0.4675819 0.5324181 0.4675819), wk = 0.0038462 k( 225) = ( -0.4756864 0.5243136 0.4756864), wk = 0.0038462 k( 226) = ( -0.4837910 0.5162090 0.4837910), wk = 0.0038462 k( 227) = ( -0.4918955 0.5081045 0.4918955), wk = 0.0038462 k( 228) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0038462 k( 229) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038462 k( 230) = ( 0.0080645 0.0080645 0.4919355), wk = 0.0038462 k( 231) = ( 0.0161290 0.0161290 0.4838710), wk = 0.0038462 k( 232) = ( 0.0241936 0.0241936 0.4758065), wk = 0.0038462 k( 233) = ( 0.0322581 0.0322581 0.4677419), wk = 0.0038462 k( 234) = ( 0.0403226 0.0403226 0.4596774), wk = 0.0038462 k( 235) = ( 0.0483871 0.0483871 0.4516129), wk = 0.0038462 k( 236) = ( 0.0564516 0.0564516 0.4435484), wk = 0.0038462 k( 237) = ( 0.0645161 0.0645161 0.4354839), wk = 0.0038462 k( 238) = ( 0.0725806 0.0725807 0.4274193), wk = 0.0038462 k( 239) = ( 0.0806452 0.0806452 0.4193548), wk = 0.0038462 k( 240) = ( 0.0887097 0.0887097 0.4112903), wk = 0.0038462 k( 241) = ( 0.0967742 0.0967742 0.4032258), wk = 0.0038462 k( 242) = ( 0.1048387 0.1048387 0.3951613), wk = 0.0038462 k( 243) = ( 0.1129032 0.1129032 0.3870968), wk = 0.0038462 k( 244) = ( 0.1209677 0.1209677 0.3790323), wk = 0.0038462 k( 245) = ( 0.1290323 0.1290323 0.3709677), wk = 0.0038462 k( 246) = ( 0.1370968 0.1370968 0.3629032), wk = 0.0038462 k( 247) = ( 0.1451613 0.1451613 0.3548387), wk = 0.0038462 k( 248) = ( 0.1532258 0.1532258 0.3467742), wk = 0.0038462 k( 249) = ( 0.1612903 0.1612903 0.3387097), wk = 0.0038462 k( 250) = ( 0.1693548 0.1693548 0.3306452), wk = 0.0038462 k( 251) = ( 0.1774194 0.1774194 0.3225807), wk = 0.0038462 k( 252) = ( 0.1854839 0.1854839 0.3145161), wk = 0.0038462 k( 253) = ( 0.1935484 0.1935484 0.3064516), wk = 0.0038462 k( 254) = ( 0.2016129 0.2016129 0.2983871), wk = 0.0038462 k( 255) = ( 0.2096774 0.2096774 0.2903226), wk = 0.0038462 k( 256) = ( 0.2177419 0.2177419 0.2822581), wk = 0.0038462 k( 257) = ( 0.2258064 0.2258065 0.2741935), wk = 0.0038462 k( 258) = ( 0.2338710 0.2338710 0.2661290), wk = 0.0038462 k( 259) = ( 0.2419355 0.2419355 0.2580645), wk = 0.0038462 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038462 Dense grid: 128035 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 51057 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 356, 40) NL pseudopotentials 0.38 Mb ( 178, 140) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3556) G-vector shells 0.01 Mb ( 1620) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.87 Mb ( 356, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.17 Mb ( 140, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./B9N.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.8 secs Computing kpt #: 14 total cpu time spent up to now is 7.2 secs Computing kpt #: 15 total cpu time spent up to now is 7.6 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.2 secs Computing kpt #: 20 total cpu time spent up to now is 9.6 secs Computing kpt #: 21 total cpu time spent up to now is 10.0 secs Computing kpt #: 22 total cpu time spent up to now is 10.4 secs Computing kpt #: 23 total cpu time spent up to now is 10.8 secs Computing kpt #: 24 total cpu time spent up to now is 11.2 secs Computing kpt #: 25 total cpu time spent up to now is 11.6 secs Computing kpt #: 26 total cpu time spent up to now is 12.0 secs Computing kpt #: 27 total cpu time spent up to now is 12.4 secs Computing kpt #: 28 total cpu time spent up to now is 12.8 secs Computing kpt #: 29 total cpu time spent up to now is 13.2 secs Computing kpt #: 30 total cpu time spent up to now is 13.6 secs Computing kpt #: 31 total cpu time spent up to now is 14.0 secs Computing kpt #: 32 total cpu time spent up to now is 14.4 secs Computing kpt #: 33 total cpu time spent up to now is 14.8 secs Computing kpt #: 34 total cpu time spent up to now is 15.2 secs Computing kpt #: 35 total cpu time spent up to now is 15.6 secs Computing kpt #: 36 total cpu time spent up to now is 16.0 secs Computing kpt #: 37 total cpu time spent up to now is 16.4 secs Computing kpt #: 38 total cpu time spent up to now is 16.8 secs Computing kpt #: 39 total cpu time spent up to now is 17.2 secs Computing kpt #: 40 total cpu time spent up to now is 17.6 secs Computing kpt #: 41 total cpu time spent up to now is 18.0 secs Computing kpt #: 42 total cpu time spent up to now is 18.5 secs Computing kpt #: 43 total cpu time spent up to now is 18.9 secs Computing kpt #: 44 total cpu time spent up to now is 19.3 secs Computing kpt #: 45 total cpu time spent up to now is 19.7 secs Computing kpt #: 46 total cpu time spent up to now is 20.1 secs Computing kpt #: 47 total cpu time spent up to now is 20.5 secs Computing kpt #: 48 total cpu time spent up to now is 20.9 secs Computing kpt #: 49 total cpu time spent up to now is 21.3 secs Computing kpt #: 50 total cpu time spent up to now is 21.7 secs Computing kpt #: 51 total cpu time spent up to now is 22.1 secs Computing kpt #: 52 total cpu time spent up to now is 22.5 secs Computing kpt #: 53 total cpu time spent up to now is 22.9 secs Computing kpt #: 54 total cpu time spent up to now is 23.3 secs Computing kpt #: 55 total cpu time spent up to now is 23.7 secs Computing kpt #: 56 total cpu time spent up to now is 24.1 secs Computing kpt #: 57 total cpu time spent up to now is 24.5 secs Computing kpt #: 58 total cpu time spent up to now is 24.9 secs Computing kpt #: 59 total cpu time spent up to now is 25.3 secs Computing kpt #: 60 total cpu time spent up to now is 25.7 secs Computing kpt #: 61 total cpu time spent up to now is 26.1 secs Computing kpt #: 62 total cpu time spent up to now is 26.5 secs Computing kpt #: 63 total cpu time spent up to now is 26.9 secs Computing kpt #: 64 total cpu time spent up to now is 27.3 secs Computing kpt #: 65 total cpu time spent up to now is 27.8 secs Computing kpt #: 66 total cpu time spent up to now is 28.2 secs Computing kpt #: 67 total cpu time spent up to now is 28.6 secs Computing kpt #: 68 total cpu time spent up to now is 29.0 secs Computing kpt #: 69 total cpu time spent up to now is 29.4 secs Computing kpt #: 70 total cpu time spent up to now is 29.8 secs Computing kpt #: 71 total cpu time spent up to now is 30.2 secs Computing kpt #: 72 total cpu time spent up to now is 30.6 secs Computing kpt #: 73 total cpu time spent up to now is 31.0 secs Computing kpt #: 74 total cpu time spent up to now is 31.4 secs Computing kpt #: 75 total cpu time spent up to now is 31.9 secs Computing kpt #: 76 total cpu time spent up to now is 32.3 secs Computing kpt #: 77 total cpu time spent up to now is 32.7 secs Computing kpt #: 78 total cpu time spent up to now is 33.1 secs Computing kpt #: 79 total cpu time spent up to now is 33.5 secs Computing kpt #: 80 total cpu time spent up to now is 33.9 secs Computing kpt #: 81 total cpu time spent up to now is 34.3 secs Computing kpt #: 82 total cpu time spent up to now is 34.8 secs Computing kpt #: 83 total cpu time spent up to now is 35.2 secs Computing kpt #: 84 total cpu time spent up to now is 35.6 secs Computing kpt #: 85 total cpu time spent up to now is 36.1 secs Computing kpt #: 86 total cpu time spent up to now is 36.5 secs Computing kpt #: 87 total cpu time spent up to now is 36.9 secs Computing kpt #: 88 total cpu time spent up to now is 37.3 secs Computing kpt #: 89 total cpu time spent up to now is 37.8 secs Computing kpt #: 90 total cpu time spent up to now is 38.2 secs Computing kpt #: 91 total cpu time spent up to now is 38.6 secs Computing kpt #: 92 total cpu time spent up to now is 39.0 secs Computing kpt #: 93 total cpu time spent up to now is 39.4 secs Computing kpt #: 94 total cpu time spent up to now is 39.8 secs Computing kpt #: 95 total cpu time spent up to now is 40.3 secs Computing kpt #: 96 total cpu time spent up to now is 40.7 secs Computing kpt #: 97 total cpu time spent up to now is 41.1 secs Computing kpt #: 98 total cpu time spent up to now is 41.6 secs Computing kpt #: 99 total cpu time spent up to now is 42.1 secs Computing kpt #: 100 total cpu time spent up to now is 42.5 secs Computing kpt #: 101 total cpu time spent up to now is 42.9 secs Computing kpt #: 102 total cpu time spent up to now is 43.4 secs Computing kpt #: 103 total cpu time spent up to now is 43.8 secs Computing kpt #: 104 total cpu time spent up to now is 44.2 secs Computing kpt #: 105 total cpu time spent up to now is 44.5 secs Computing kpt #: 106 total cpu time spent up to now is 45.1 secs Computing kpt #: 107 total cpu time spent up to now is 45.7 secs Computing kpt #: 108 total cpu time spent up to now is 46.2 secs Computing kpt #: 109 total cpu time spent up to now is 46.8 secs Computing kpt #: 110 total cpu time spent up to now is 47.4 secs Computing kpt #: 111 total cpu time spent up to now is 48.0 secs Computing kpt #: 112 total cpu time spent up to now is 48.8 secs Computing kpt #: 113 total cpu time spent up to now is 49.4 secs Computing kpt #: 114 total cpu time spent up to now is 49.9 secs Computing kpt #: 115 total cpu time spent up to now is 50.5 secs Computing kpt #: 116 total cpu time spent up to now is 51.1 secs Computing kpt #: 117 total cpu time spent up to now is 51.6 secs Computing kpt #: 118 total cpu time spent up to now is 52.2 secs Computing kpt #: 119 total cpu time spent up to now is 52.7 secs Computing kpt #: 120 total cpu time spent up to now is 53.1 secs Computing kpt #: 121 total cpu time spent up to now is 53.6 secs Computing kpt #: 122 total cpu time spent up to now is 54.0 secs Computing kpt #: 123 total cpu time spent up to now is 54.5 secs Computing kpt #: 124 total cpu time spent up to now is 54.9 secs Computing kpt #: 125 total cpu time spent up to now is 55.4 secs Computing kpt #: 126 total cpu time spent up to now is 55.9 secs Computing kpt #: 127 total cpu time spent up to now is 56.3 secs Computing kpt #: 128 total cpu time spent up to now is 56.8 secs Computing kpt #: 129 total cpu time spent up to now is 57.3 secs Computing kpt #: 130 total cpu time spent up to now is 57.8 secs Computing kpt #: 131 total cpu time spent up to now is 58.3 secs Computing kpt #: 132 total cpu time spent up to now is 58.9 secs Computing kpt #: 133 total cpu time spent up to now is 59.4 secs Computing kpt #: 134 total cpu time spent up to now is 60.0 secs Computing kpt #: 135 total cpu time spent up to now is 60.5 secs Computing kpt #: 136 total cpu time spent up to now is 61.0 secs Computing kpt #: 137 total cpu time spent up to now is 61.6 secs Computing kpt #: 138 total cpu time spent up to now is 62.2 secs Computing kpt #: 139 total cpu time spent up to now is 62.7 secs Computing kpt #: 140 total cpu time spent up to now is 63.3 secs Computing kpt #: 141 total cpu time spent up to now is 63.8 secs Computing kpt #: 142 total cpu time spent up to now is 64.4 secs Computing kpt #: 143 total cpu time spent up to now is 65.0 secs Computing kpt #: 144 total cpu time spent up to now is 65.5 secs Computing kpt #: 145 total cpu time spent up to now is 66.1 secs Computing kpt #: 146 total cpu time spent up to now is 66.6 secs Computing kpt #: 147 total cpu time spent up to now is 67.1 secs Computing kpt #: 148 total cpu time spent up to now is 67.6 secs Computing kpt #: 149 total cpu time spent up to now is 68.1 secs Computing kpt #: 150 total cpu time spent up to now is 68.6 secs Computing kpt #: 151 total cpu time spent up to now is 69.1 secs Computing kpt #: 152 total cpu time spent up to now is 69.6 secs Computing kpt #: 153 total cpu time spent up to now is 70.1 secs Computing kpt #: 154 total cpu time spent up to now is 70.6 secs Computing kpt #: 155 total cpu time spent up to now is 71.0 secs Computing kpt #: 156 total cpu time spent up to now is 71.5 secs Computing kpt #: 157 total cpu time spent up to now is 71.9 secs Computing kpt #: 158 total cpu time spent up to now is 72.4 secs Computing kpt #: 159 total cpu time spent up to now is 72.8 secs Computing kpt #: 160 total cpu time spent up to now is 73.2 secs Computing kpt #: 161 total cpu time spent up to now is 73.7 secs Computing kpt #: 162 total cpu time spent up to now is 74.1 secs Computing kpt #: 163 total cpu time spent up to now is 74.6 secs Computing kpt #: 164 total cpu time spent up to now is 75.0 secs Computing kpt #: 165 total cpu time spent up to now is 75.4 secs Computing kpt #: 166 total cpu time spent up to now is 75.9 secs Computing kpt #: 167 total cpu time spent up to now is 76.3 secs Computing kpt #: 168 total cpu time spent up to now is 76.7 secs Computing kpt #: 169 total cpu time spent up to now is 77.2 secs Computing kpt #: 170 total cpu time spent up to now is 77.6 secs Computing kpt #: 171 total cpu time spent up to now is 78.0 secs Computing kpt #: 172 total cpu time spent up to now is 78.5 secs Computing kpt #: 173 total cpu time spent up to now is 78.9 secs Computing kpt #: 174 total cpu time spent up to now is 79.4 secs Computing kpt #: 175 total cpu time spent up to now is 79.8 secs Computing kpt #: 176 total cpu time spent up to now is 80.2 secs Computing kpt #: 177 total cpu time spent up to now is 80.7 secs Computing kpt #: 178 total cpu time spent up to now is 81.1 secs Computing kpt #: 179 total cpu time spent up to now is 81.5 secs Computing kpt #: 180 total cpu time spent up to now is 82.0 secs Computing kpt #: 181 total cpu time spent up to now is 82.4 secs Computing kpt #: 182 total cpu time spent up to now is 82.9 secs Computing kpt #: 183 total cpu time spent up to now is 83.3 secs Computing kpt #: 184 total cpu time spent up to now is 83.7 secs Computing kpt #: 185 total cpu time spent up to now is 84.2 secs Computing kpt #: 186 total cpu time spent up to now is 84.6 secs Computing kpt #: 187 total cpu time spent up to now is 85.0 secs Computing kpt #: 188 total cpu time spent up to now is 85.5 secs Computing kpt #: 189 total cpu time spent up to now is 86.0 secs Computing kpt #: 190 total cpu time spent up to now is 86.4 secs Computing kpt #: 191 total cpu time spent up to now is 86.9 secs Computing kpt #: 192 total cpu time spent up to now is 87.4 secs Computing kpt #: 193 total cpu time spent up to now is 87.9 secs Computing kpt #: 194 total cpu time spent up to now is 88.4 secs Computing kpt #: 195 total cpu time spent up to now is 88.8 secs Computing kpt #: 196 total cpu time spent up to now is 89.3 secs Computing kpt #: 197 total cpu time spent up to now is 89.8 secs Computing kpt #: 198 total cpu time spent up to now is 90.3 secs Computing kpt #: 199 total cpu time spent up to now is 90.9 secs Computing kpt #: 200 total cpu time spent up to now is 91.4 secs Computing kpt #: 201 total cpu time spent up to now is 92.0 secs Computing kpt #: 202 total cpu time spent up to now is 92.6 secs Computing kpt #: 203 total cpu time spent up to now is 93.2 secs Computing kpt #: 204 total cpu time spent up to now is 93.7 secs Computing kpt #: 205 total cpu time spent up to now is 94.3 secs Computing kpt #: 206 total cpu time spent up to now is 94.8 secs Computing kpt #: 207 total cpu time spent up to now is 95.3 secs Computing kpt #: 208 total cpu time spent up to now is 95.9 secs Computing kpt #: 209 total cpu time spent up to now is 96.4 secs Computing kpt #: 210 total cpu time spent up to now is 96.9 secs Computing kpt #: 211 total cpu time spent up to now is 97.4 secs Computing kpt #: 212 total cpu time spent up to now is 97.8 secs Computing kpt #: 213 total cpu time spent up to now is 98.2 secs Computing kpt #: 214 total cpu time spent up to now is 98.7 secs Computing kpt #: 215 total cpu time spent up to now is 99.1 secs Computing kpt #: 216 total cpu time spent up to now is 99.5 secs Computing kpt #: 217 total cpu time spent up to now is 99.9 secs Computing kpt #: 218 total cpu time spent up to now is 100.3 secs Computing kpt #: 219 total cpu time spent up to now is 100.8 secs Computing kpt #: 220 total cpu time spent up to now is 101.2 secs Computing kpt #: 221 total cpu time spent up to now is 101.6 secs Computing kpt #: 222 total cpu time spent up to now is 102.0 secs Computing kpt #: 223 total cpu time spent up to now is 102.4 secs Computing kpt #: 224 total cpu time spent up to now is 102.8 secs Computing kpt #: 225 total cpu time spent up to now is 103.2 secs Computing kpt #: 226 total cpu time spent up to now is 103.6 secs Computing kpt #: 227 total cpu time spent up to now is 104.0 secs Computing kpt #: 228 total cpu time spent up to now is 104.4 secs Computing kpt #: 229 total cpu time spent up to now is 104.8 secs Computing kpt #: 230 total cpu time spent up to now is 105.3 secs Computing kpt #: 231 total cpu time spent up to now is 105.7 secs Computing kpt #: 232 total cpu time spent up to now is 106.1 secs Computing kpt #: 233 total cpu time spent up to now is 106.5 secs Computing kpt #: 234 total cpu time spent up to now is 106.9 secs Computing kpt #: 235 total cpu time spent up to now is 107.3 secs Computing kpt #: 236 total cpu time spent up to now is 107.7 secs Computing kpt #: 237 total cpu time spent up to now is 108.1 secs Computing kpt #: 238 total cpu time spent up to now is 108.5 secs Computing kpt #: 239 total cpu time spent up to now is 108.9 secs Computing kpt #: 240 total cpu time spent up to now is 109.3 secs Computing kpt #: 241 total cpu time spent up to now is 109.8 secs Computing kpt #: 242 total cpu time spent up to now is 110.2 secs Computing kpt #: 243 total cpu time spent up to now is 110.6 secs Computing kpt #: 244 total cpu time spent up to now is 111.0 secs Computing kpt #: 245 total cpu time spent up to now is 111.4 secs Computing kpt #: 246 total cpu time spent up to now is 111.8 secs Computing kpt #: 247 total cpu time spent up to now is 112.4 secs Computing kpt #: 248 total cpu time spent up to now is 113.0 secs Computing kpt #: 249 total cpu time spent up to now is 113.6 secs Computing kpt #: 250 total cpu time spent up to now is 114.2 secs Computing kpt #: 251 total cpu time spent up to now is 114.7 secs Computing kpt #: 252 total cpu time spent up to now is 115.1 secs Computing kpt #: 253 total cpu time spent up to now is 115.6 secs Computing kpt #: 254 total cpu time spent up to now is 116.0 secs Computing kpt #: 255 total cpu time spent up to now is 116.5 secs Computing kpt #: 256 total cpu time spent up to now is 116.9 secs Computing kpt #: 257 total cpu time spent up to now is 117.4 secs Computing kpt #: 258 total cpu time spent up to now is 117.8 secs Computing kpt #: 259 total cpu time spent up to now is 118.2 secs Computing kpt #: 260 total cpu time spent up to now is 118.7 secs ethr = 3.13E-08, avg # of iterations = 15.9 total cpu time spent up to now is 118.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6403 PWs) bands (ev): -16.6027 -16.6027 -16.0194 -16.0194 -12.1203 -12.1203 -10.3610 -10.3610 -10.3298 -10.3298 -10.0722 -10.0722 -10.0709 -10.0709 -6.1503 -6.1503 -6.1481 -6.1481 -4.8550 -4.8550 -4.1035 -4.1035 -4.1022 -4.1022 -2.2596 -2.2596 -1.7072 -1.7072 -0.9113 -0.9113 -0.9020 -0.9020 -0.6985 -0.6985 1.1918 1.1918 1.1969 1.1969 1.7201 1.7201 k = 0.0000 0.0000 0.0209 ( 6411 PWs) bands (ev): -16.6028 -16.6028 -16.0194 -16.0194 -12.1203 -12.1203 -10.3610 -10.3610 -10.3298 -10.3298 -10.0722 -10.0722 -10.0709 -10.0709 -6.1503 -6.1503 -6.1481 -6.1481 -4.8553 -4.8553 -4.1032 -4.1032 -4.1019 -4.1019 -2.2596 -2.2596 -1.7072 -1.7072 -0.9123 -0.9123 -0.9029 -0.9029 -0.6979 -0.6979 1.1904 1.1904 1.1965 1.1965 1.7201 1.7201 k = 0.0000 0.0000 0.0417 ( 6401 PWs) bands (ev): -16.6028 -16.6028 -16.0194 -16.0194 -12.1202 -12.1202 -10.3609 -10.3609 -10.3298 -10.3298 -10.0722 -10.0722 -10.0709 -10.0709 -6.1503 -6.1503 -6.1481 -6.1481 -4.8563 -4.8563 -4.1026 -4.1026 -4.1008 -4.1008 -2.2595 -2.2595 -1.7072 -1.7072 -0.9152 -0.9152 -0.9055 -0.9055 -0.6959 -0.6959 1.1841 1.1841 1.1979 1.1979 1.7200 1.7200 k = 0.0000 0.0000 0.0626 ( 6387 PWs) bands (ev): -16.6027 -16.6027 -16.0193 -16.0193 -12.1202 -12.1202 -10.3609 -10.3609 -10.3298 -10.3298 -10.0723 -10.0723 -10.0709 -10.0709 -6.1503 -6.1503 -6.1481 -6.1481 -4.8579 -4.8579 -4.1019 -4.1019 -4.0987 -4.0987 -2.2595 -2.2595 -1.7072 -1.7072 -0.9203 -0.9203 -0.9094 -0.9094 -0.6929 -0.6929 1.1731 1.1731 1.2015 1.2015 1.7200 1.7200 k = 0.0000 0.0000 0.0834 ( 6383 PWs) bands (ev): -16.6027 -16.6027 -16.0193 -16.0193 -12.1202 -12.1202 -10.3608 -10.3608 -10.3298 -10.3298 -10.0724 -10.0724 -10.0710 -10.0710 -6.1502 -6.1502 -6.1480 -6.1480 -4.8600 -4.8600 -4.1011 -4.1011 -4.0958 -4.0958 -2.2595 -2.2595 -1.7073 -1.7073 -0.9276 -0.9276 -0.9142 -0.9142 -0.6890 -0.6890 1.1585 1.1585 1.2066 1.2066 1.7199 1.7199 k = 0.0000 0.0000 0.1043 ( 6387 PWs) bands (ev): -16.6027 -16.6027 -16.0194 -16.0194 -12.1202 -12.1202 -10.3607 -10.3607 -10.3299 -10.3299 -10.0725 -10.0725 -10.0710 -10.0710 -6.1502 -6.1502 -6.1480 -6.1480 -4.8627 -4.8627 -4.1001 -4.1001 -4.0921 -4.0921 -2.2594 -2.2594 -1.7073 -1.7073 -0.9369 -0.9369 -0.9197 -0.9197 -0.6844 -0.6844 1.1415 1.1415 1.2132 1.2132 1.7198 1.7198 k = 0.0000 0.0000 0.1251 ( 6387 PWs) bands (ev): -16.6027 -16.6027 -16.0193 -16.0193 -12.1202 -12.1202 -10.3606 -10.3606 -10.3299 -10.3299 -10.0727 -10.0727 -10.0711 -10.0711 -6.1502 -6.1502 -6.1479 -6.1479 -4.8659 -4.8659 -4.0990 -4.0990 -4.0876 -4.0876 -2.2594 -2.2594 -1.7074 -1.7074 -0.9478 -0.9478 -0.9261 -0.9261 -0.6795 -0.6795 1.1229 1.1229 1.2211 1.2211 1.7196 1.7196 k = 0.0000 0.0000 0.1460 ( 6387 PWs) bands (ev): -16.6026 -16.6026 -16.0194 -16.0194 -12.1202 -12.1202 -10.3605 -10.3605 -10.3299 -10.3299 -10.0729 -10.0729 -10.0711 -10.0711 -6.1501 -6.1501 -6.1478 -6.1478 -4.8696 -4.8696 -4.0977 -4.0977 -4.0826 -4.0826 -2.2593 -2.2593 -1.7075 -1.7075 -0.9598 -0.9598 -0.9332 -0.9332 -0.6744 -0.6744 1.1034 1.1034 1.2301 1.2301 1.7195 1.7195 k = 0.0000 0.0000 0.1668 ( 6379 PWs) bands (ev): -16.6026 -16.6026 -16.0194 -16.0194 -12.1201 -12.1201 -10.3603 -10.3603 -10.3299 -10.3299 -10.0732 -10.0732 -10.0711 -10.0711 -6.1501 -6.1501 -6.1477 -6.1477 -4.8735 -4.8735 -4.0962 -4.0962 -4.0770 -4.0770 -2.2592 -2.2592 -1.7076 -1.7076 -0.9728 -0.9728 -0.9409 -0.9409 -0.6693 -0.6693 1.0836 1.0836 1.2401 1.2401 1.7193 1.7193 k = 0.0000 0.0000 0.1877 ( 6377 PWs) bands (ev): -16.6026 -16.6026 -16.0193 -16.0193 -12.1201 -12.1201 -10.3601 -10.3601 -10.3300 -10.3300 -10.0735 -10.0735 -10.0710 -10.0710 -6.1501 -6.1501 -6.1475 -6.1475 -4.8778 -4.8778 -4.0946 -4.0946 -4.0709 -4.0709 -2.2591 -2.2591 -1.7077 -1.7077 -0.9863 -0.9863 -0.9493 -0.9493 -0.6642 -0.6642 1.0639 1.0639 1.2509 1.2509 1.7191 1.7191 k = 0.0000 0.0000 0.2085 ( 6373 PWs) bands (ev): -16.6026 -16.6026 -16.0193 -16.0193 -12.1201 -12.1201 -10.3600 -10.3600 -10.3300 -10.3300 -10.0738 -10.0738 -10.0710 -10.0710 -6.1501 -6.1501 -6.1474 -6.1474 -4.8823 -4.8823 -4.0929 -4.0929 -4.0646 -4.0646 -2.2591 -2.2591 -1.7078 -1.7078 -1.0001 -1.0001 -0.9582 -0.9582 -0.6594 -0.6594 1.0447 1.0447 1.2624 1.2624 1.7189 1.7189 k = 0.0000 0.0000 0.2294 ( 6378 PWs) bands (ev): -16.6026 -16.6026 -16.0193 -16.0193 -12.1200 -12.1200 -10.3598 -10.3598 -10.3301 -10.3301 -10.0741 -10.0741 -10.0710 -10.0710 -6.1501 -6.1501 -6.1472 -6.1472 -4.8870 -4.8870 -4.0911 -4.0911 -4.0579 -4.0579 -2.2590 -2.2590 -1.7079 -1.7079 -1.0141 -1.0141 -0.9675 -0.9675 -0.6548 -0.6548 1.0262 1.0262 1.2744 1.2744 1.7187 1.7187 k = 0.0000 0.0000 0.2502 ( 6384 PWs) bands (ev): -16.6025 -16.6025 -16.0194 -16.0194 -12.1200 -12.1200 -10.3596 -10.3596 -10.3302 -10.3302 -10.0745 -10.0745 -10.0709 -10.0709 -6.1501 -6.1501 -6.1470 -6.1470 -4.8917 -4.8917 -4.0893 -4.0893 -4.0512 -4.0512 -2.2589 -2.2589 -1.7080 -1.7080 -1.0280 -1.0280 -0.9771 -0.9771 -0.6505 -0.6505 1.0086 1.0086 1.2867 1.2867 1.7185 1.7185 k = 0.0000 0.0000 0.2711 ( 6382 PWs) bands (ev): -16.6025 -16.6025 -16.0194 -16.0194 -12.1200 -12.1200 -10.3594 -10.3594 -10.3302 -10.3302 -10.0749 -10.0749 -10.0709 -10.0709 -6.1501 -6.1501 -6.1468 -6.1468 -4.8964 -4.8964 -4.0874 -4.0874 -4.0444 -4.0444 -2.2588 -2.2588 -1.7081 -1.7081 -1.0417 -1.0417 -0.9867 -0.9867 -0.6465 -0.6465 0.9920 0.9920 1.2991 1.2991 1.7183 1.7183 k = 0.0000 0.0000 0.2919 ( 6368 PWs) bands (ev): -16.6024 -16.6024 -16.0193 -16.0193 -12.1199 -12.1199 -10.3593 -10.3593 -10.3303 -10.3303 -10.0753 -10.0753 -10.0708 -10.0708 -6.1501 -6.1501 -6.1466 -6.1466 -4.9010 -4.9010 -4.0855 -4.0855 -4.0376 -4.0376 -2.2588 -2.2588 -1.7082 -1.7082 -1.0550 -1.0550 -0.9964 -0.9964 -0.6428 -0.6428 0.9766 0.9766 1.3116 1.3116 1.7181 1.7181 k = 0.0000 0.0000 0.3128 ( 6364 PWs) bands (ev): -16.6024 -16.6024 -16.0193 -16.0193 -12.1199 -12.1199 -10.3591 -10.3591 -10.3303 -10.3303 -10.0756 -10.0756 -10.0707 -10.0707 -6.1502 -6.1502 -6.1464 -6.1464 -4.9055 -4.9055 -4.0836 -4.0836 -4.0310 -4.0310 -2.2587 -2.2587 -1.7083 -1.7083 -1.0678 -1.0678 -1.0058 -1.0058 -0.6395 -0.6395 0.9624 0.9624 1.3237 1.3237 1.7179 1.7179 k = 0.0000 0.0000 0.3336 ( 6372 PWs) bands (ev): -16.6024 -16.6024 -16.0193 -16.0193 -12.1199 -12.1199 -10.3589 -10.3589 -10.3304 -10.3304 -10.0760 -10.0760 -10.0707 -10.0707 -6.1502 -6.1502 -6.1462 -6.1462 -4.9099 -4.9099 -4.0818 -4.0818 -4.0247 -4.0247 -2.2586 -2.2586 -1.7084 -1.7084 -1.0799 -1.0799 -1.0150 -1.0150 -0.6365 -0.6365 0.9494 0.9494 1.3355 1.3355 1.7177 1.7177 k = 0.0000 0.0000 0.3545 ( 6372 PWs) bands (ev): -16.6024 -16.6024 -16.0193 -16.0193 -12.1198 -12.1198 -10.3587 -10.3587 -10.3304 -10.3304 -10.0764 -10.0764 -10.0706 -10.0706 -6.1502 -6.1502 -6.1460 -6.1460 -4.9140 -4.9140 -4.0801 -4.0801 -4.0186 -4.0186 -2.2585 -2.2585 -1.7085 -1.7085 -1.0912 -1.0912 -1.0238 -1.0238 -0.6339 -0.6339 0.9377 0.9377 1.3467 1.3467 1.7175 1.7175 k = 0.0000 0.0000 0.3754 ( 6372 PWs) bands (ev): -16.6024 -16.6024 -16.0193 -16.0193 -12.1198 -12.1198 -10.3586 -10.3586 -10.3305 -10.3305 -10.0767 -10.0767 -10.0706 -10.0706 -6.1503 -6.1503 -6.1458 -6.1458 -4.9177 -4.9177 -4.0784 -4.0784 -4.0130 -4.0130 -2.2585 -2.2585 -1.7086 -1.7086 -1.1017 -1.1017 -1.0319 -1.0319 -0.6316 -0.6316 0.9272 0.9272 1.3572 1.3572 1.7173 1.7173 k = 0.0000 0.0000 0.3962 ( 6364 PWs) bands (ev): -16.6023 -16.6023 -16.0193 -16.0193 -12.1198 -12.1198 -10.3584 -10.3584 -10.3305 -10.3305 -10.0770 -10.0770 -10.0705 -10.0705 -6.1503 -6.1503 -6.1456 -6.1456 -4.9212 -4.9212 -4.0769 -4.0769 -4.0078 -4.0078 -2.2584 -2.2584 -1.7087 -1.7087 -1.1111 -1.1111 -1.0394 -1.0394 -0.6296 -0.6296 0.9180 0.9180 1.3669 1.3669 1.7171 1.7171 k = 0.0000 0.0000 0.4171 ( 6362 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1198 -12.1198 -10.3583 -10.3583 -10.3305 -10.3305 -10.0773 -10.0773 -10.0705 -10.0705 -6.1503 -6.1503 -6.1455 -6.1455 -4.9242 -4.9242 -4.0756 -4.0756 -4.0032 -4.0032 -2.2583 -2.2583 -1.7088 -1.7088 -1.1195 -1.1195 -1.0462 -1.0462 -0.6278 -0.6278 0.9100 0.9100 1.3755 1.3755 1.7170 1.7170 k = 0.0000 0.0000 0.4379 ( 6372 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1197 -12.1197 -10.3582 -10.3582 -10.3306 -10.3306 -10.0775 -10.0775 -10.0704 -10.0704 -6.1504 -6.1504 -6.1453 -6.1453 -4.9269 -4.9269 -4.0744 -4.0744 -3.9992 -3.9992 -2.2583 -2.2583 -1.7088 -1.7088 -1.1267 -1.1267 -1.0521 -1.0521 -0.6264 -0.6264 0.9033 0.9033 1.3830 1.3830 1.7169 1.7169 k = 0.0000 0.0000 0.4588 ( 6376 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1197 -12.1197 -10.3581 -10.3581 -10.3306 -10.3306 -10.0777 -10.0777 -10.0704 -10.0704 -6.1504 -6.1504 -6.1452 -6.1452 -4.9291 -4.9291 -4.0734 -4.0734 -3.9959 -3.9959 -2.2582 -2.2582 -1.7089 -1.7089 -1.1327 -1.1327 -1.0570 -1.0570 -0.6253 -0.6253 0.8979 0.8979 1.3893 1.3893 1.7167 1.7167 k = 0.0000 0.0000 0.4796 ( 6382 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1197 -12.1197 -10.3580 -10.3580 -10.3307 -10.3307 -10.0779 -10.0779 -10.0704 -10.0704 -6.1504 -6.1504 -6.1451 -6.1451 -4.9309 -4.9309 -4.0726 -4.0726 -3.9933 -3.9933 -2.2582 -2.2582 -1.7089 -1.7089 -1.1374 -1.1374 -1.0609 -1.0609 -0.6244 -0.6244 0.8936 0.8936 1.3943 1.3943 1.7167 1.7167 k = 0.0000 0.0000 0.5005 ( 6390 PWs) bands (ev): -16.6023 -16.6023 -16.0195 -16.0195 -12.1197 -12.1197 -10.3580 -10.3580 -10.3307 -10.3307 -10.0780 -10.0780 -10.0704 -10.0704 -6.1504 -6.1504 -6.1450 -6.1450 -4.9321 -4.9321 -4.0721 -4.0721 -3.9914 -3.9914 -2.2582 -2.2582 -1.7090 -1.7090 -1.1408 -1.1408 -1.0638 -1.0638 -0.6237 -0.6237 0.8906 0.8906 1.3979 1.3979 1.7166 1.7166 k = 0.0000 0.0000 0.5213 ( 6392 PWs) bands (ev): -16.6023 -16.6023 -16.0195 -16.0195 -12.1197 -12.1197 -10.3579 -10.3579 -10.3307 -10.3307 -10.0781 -10.0781 -10.0704 -10.0704 -6.1504 -6.1504 -6.1450 -6.1450 -4.9329 -4.9329 -4.0717 -4.0717 -3.9902 -3.9902 -2.2582 -2.2582 -1.7090 -1.7090 -1.1428 -1.1428 -1.0655 -1.0655 -0.6234 -0.6234 0.8888 0.8888 1.4001 1.4001 1.7165 1.7165 k = 0.0000 0.0000 0.5422 ( 6380 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1197 -12.1197 -10.3579 -10.3579 -10.3307 -10.3307 -10.0781 -10.0781 -10.0704 -10.0704 -6.1504 -6.1504 -6.1450 -6.1450 -4.9331 -4.9331 -4.0716 -4.0716 -3.9898 -3.9898 -2.2582 -2.2582 -1.7090 -1.7090 -1.1435 -1.1435 -1.0661 -1.0661 -0.6232 -0.6232 0.8882 0.8882 1.4008 1.4008 1.7165 1.7165 k = 0.0000 0.0000 0.5422 ( 6380 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1197 -12.1197 -10.3579 -10.3579 -10.3307 -10.3307 -10.0781 -10.0781 -10.0704 -10.0704 -6.1504 -6.1504 -6.1450 -6.1450 -4.9331 -4.9331 -4.0716 -4.0716 -3.9898 -3.9898 -2.2582 -2.2582 -1.7090 -1.7090 -1.1435 -1.1435 -1.0661 -1.0661 -0.6232 -0.6232 0.8882 0.8882 1.4008 1.4008 1.7165 1.7165 k =-0.0192 0.0081 0.5422 ( 6392 PWs) bands (ev): -16.6023 -16.6023 -16.0195 -16.0195 -12.1197 -12.1197 -10.3579 -10.3579 -10.3307 -10.3307 -10.0781 -10.0781 -10.0704 -10.0704 -6.1504 -6.1504 -6.1450 -6.1450 -4.9329 -4.9329 -4.0717 -4.0717 -3.9902 -3.9902 -2.2582 -2.2582 -1.7090 -1.7090 -1.1430 -1.1430 -1.0657 -1.0657 -0.6234 -0.6234 0.8889 0.8889 1.3998 1.3998 1.7165 1.7165 k =-0.0385 0.0161 0.5422 ( 6392 PWs) bands (ev): -16.6023 -16.6023 -16.0195 -16.0195 -12.1197 -12.1197 -10.3578 -10.3578 -10.3307 -10.3307 -10.0781 -10.0781 -10.0705 -10.0705 -6.1504 -6.1504 -6.1450 -6.1450 -4.9323 -4.9323 -4.0722 -4.0722 -3.9915 -3.9915 -2.2583 -2.2583 -1.7090 -1.7090 -1.1413 -1.1413 -1.0645 -1.0645 -0.6239 -0.6239 0.8911 0.8911 1.3970 1.3970 1.7165 1.7165 k =-0.0577 0.0242 0.5422 ( 6400 PWs) bands (ev): -16.6023 -16.6023 -16.0195 -16.0195 -12.1196 -12.1196 -10.3578 -10.3578 -10.3308 -10.3308 -10.0782 -10.0782 -10.0707 -10.0707 -6.1503 -6.1503 -6.1450 -6.1450 -4.9312 -4.9312 -4.0729 -4.0729 -3.9935 -3.9935 -2.2583 -2.2583 -1.7090 -1.7090 -1.1385 -1.1385 -1.0626 -1.0626 -0.6247 -0.6247 0.8948 0.8948 1.3924 1.3924 1.7165 1.7165 k =-0.0769 0.0323 0.5422 ( 6404 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1196 -12.1196 -10.3576 -10.3576 -10.3308 -10.3308 -10.0782 -10.0782 -10.0709 -10.0709 -6.1502 -6.1502 -6.1450 -6.1450 -4.9297 -4.9297 -4.0738 -4.0738 -3.9964 -3.9964 -2.2585 -2.2585 -1.7090 -1.7090 -1.1346 -1.1346 -1.0599 -1.0599 -0.6259 -0.6259 0.8999 0.8999 1.3860 1.3860 1.7164 1.7164 k =-0.0962 0.0403 0.5422 ( 6396 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1195 -12.1195 -10.3575 -10.3575 -10.3308 -10.3308 -10.0783 -10.0783 -10.0712 -10.0712 -6.1501 -6.1501 -6.1450 -6.1450 -4.9277 -4.9277 -4.0751 -4.0751 -4.0000 -4.0000 -2.2586 -2.2586 -1.7090 -1.7090 -1.1297 -1.1297 -1.0566 -1.0566 -0.6273 -0.6273 0.9064 0.9064 1.3779 1.3779 1.7164 1.7164 k =-0.1154 0.0484 0.5422 ( 6400 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1194 -12.1194 -10.3573 -10.3573 -10.3309 -10.3309 -10.0783 -10.0783 -10.0715 -10.0715 -6.1499 -6.1499 -6.1450 -6.1450 -4.9254 -4.9254 -4.0765 -4.0765 -4.0042 -4.0042 -2.2588 -2.2588 -1.7090 -1.7090 -1.1238 -1.1238 -1.0526 -1.0526 -0.6291 -0.6291 0.9142 0.9142 1.3684 1.3684 1.7163 1.7163 k =-0.1346 0.0564 0.5422 ( 6396 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1194 -12.1194 -10.3570 -10.3570 -10.3309 -10.3309 -10.0784 -10.0784 -10.0719 -10.0719 -6.1497 -6.1497 -6.1450 -6.1450 -4.9228 -4.9228 -4.0782 -4.0782 -4.0092 -4.0092 -2.2590 -2.2590 -1.7089 -1.7089 -1.1170 -1.1170 -1.0481 -1.0481 -0.6312 -0.6312 0.9234 0.9234 1.3575 1.3575 1.7163 1.7163 k =-0.1538 0.0645 0.5422 ( 6394 PWs) bands (ev): -16.6022 -16.6022 -16.0195 -16.0195 -12.1193 -12.1193 -10.3568 -10.3568 -10.3310 -10.3310 -10.0785 -10.0785 -10.0723 -10.0723 -6.1495 -6.1495 -6.1450 -6.1450 -4.9198 -4.9198 -4.0800 -4.0800 -4.0147 -4.0147 -2.2592 -2.2592 -1.7089 -1.7089 -1.1093 -1.1093 -1.0430 -1.0430 -0.6336 -0.6336 0.9339 0.9339 1.3455 1.3455 1.7162 1.7162 k =-0.1731 0.0726 0.5422 ( 6388 PWs) bands (ev): -16.6022 -16.6022 -16.0195 -16.0195 -12.1192 -12.1192 -10.3565 -10.3565 -10.3310 -10.3310 -10.0786 -10.0786 -10.0728 -10.0728 -6.1493 -6.1493 -6.1450 -6.1450 -4.9165 -4.9165 -4.0820 -4.0820 -4.0207 -4.0207 -2.2594 -2.2594 -1.7089 -1.7089 -1.1008 -1.1008 -1.0375 -1.0375 -0.6363 -0.6363 0.9455 0.9455 1.3325 1.3325 1.7161 1.7161 k =-0.1923 0.0806 0.5422 ( 6382 PWs) bands (ev): -16.6022 -16.6022 -16.0195 -16.0195 -12.1191 -12.1191 -10.3562 -10.3562 -10.3311 -10.3311 -10.0787 -10.0787 -10.0733 -10.0733 -6.1491 -6.1491 -6.1450 -6.1450 -4.9130 -4.9130 -4.0842 -4.0842 -4.0271 -4.0271 -2.2597 -2.2597 -1.7088 -1.7088 -1.0917 -1.0917 -1.0317 -1.0317 -0.6392 -0.6392 0.9583 0.9583 1.3188 1.3188 1.7161 1.7161 k =-0.2115 0.0887 0.5422 ( 6376 PWs) bands (ev): -16.6021 -16.6021 -16.0195 -16.0195 -12.1189 -12.1189 -10.3559 -10.3559 -10.3311 -10.3311 -10.0788 -10.0788 -10.0738 -10.0738 -6.1488 -6.1488 -6.1450 -6.1450 -4.9092 -4.9092 -4.0864 -4.0864 -4.0339 -4.0339 -2.2600 -2.2600 -1.7088 -1.7088 -1.0820 -1.0820 -1.0256 -1.0256 -0.6425 -0.6425 0.9721 0.9721 1.3045 1.3045 1.7160 1.7160 k =-0.2308 0.0968 0.5422 ( 6372 PWs) bands (ev): -16.6021 -16.6021 -16.0195 -16.0195 -12.1188 -12.1188 -10.3556 -10.3556 -10.3312 -10.3312 -10.0789 -10.0789 -10.0744 -10.0744 -6.1486 -6.1486 -6.1450 -6.1450 -4.9053 -4.9053 -4.0887 -4.0887 -4.0409 -4.0409 -2.2602 -2.2602 -1.7088 -1.7088 -1.0718 -1.0718 -1.0194 -1.0194 -0.6459 -0.6459 0.9867 0.9867 1.2899 1.2899 1.7159 1.7159 k =-0.2500 0.1048 0.5422 ( 6372 PWs) bands (ev): -16.6021 -16.6021 -16.0195 -16.0195 -12.1187 -12.1187 -10.3552 -10.3552 -10.3313 -10.3313 -10.0790 -10.0790 -10.0749 -10.0749 -6.1483 -6.1483 -6.1450 -6.1450 -4.9012 -4.9012 -4.0910 -4.0910 -4.0481 -4.0481 -2.2605 -2.2605 -1.7087 -1.7087 -1.0613 -1.0613 -1.0131 -1.0131 -0.6496 -0.6496 1.0020 1.0020 1.2751 1.2751 1.7158 1.7158 k =-0.2692 0.1129 0.5422 ( 6370 PWs) bands (ev): -16.6021 -16.6021 -16.0195 -16.0195 -12.1186 -12.1186 -10.3549 -10.3549 -10.3313 -10.3313 -10.0791 -10.0791 -10.0755 -10.0755 -6.1481 -6.1481 -6.1450 -6.1450 -4.8971 -4.8971 -4.0933 -4.0933 -4.0553 -4.0553 -2.2608 -2.2608 -1.7087 -1.7087 -1.0506 -1.0506 -1.0067 -1.0067 -0.6535 -0.6535 1.0179 1.0179 1.2605 1.2605 1.7157 1.7157 k =-0.2885 0.1210 0.5422 ( 6366 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1185 -12.1185 -10.3546 -10.3546 -10.3314 -10.3314 -10.0792 -10.0792 -10.0760 -10.0760 -6.1479 -6.1479 -6.1450 -6.1450 -4.8930 -4.8930 -4.0955 -4.0955 -4.0625 -4.0625 -2.2611 -2.2611 -1.7087 -1.7087 -1.0398 -1.0398 -1.0005 -1.0005 -0.6575 -0.6575 1.0342 1.0342 1.2462 1.2462 1.7156 1.7156 k =-0.3077 0.1290 0.5422 ( 6376 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1184 -12.1184 -10.3543 -10.3543 -10.3314 -10.3314 -10.0794 -10.0794 -10.0765 -10.0765 -6.1477 -6.1477 -6.1450 -6.1450 -4.8890 -4.8890 -4.0977 -4.0977 -4.0695 -4.0695 -2.2614 -2.2614 -1.7087 -1.7087 -1.0292 -1.0292 -0.9945 -0.9945 -0.6617 -0.6617 1.0505 1.0505 1.2323 1.2323 1.7155 1.7155 k =-0.3269 0.1371 0.5422 ( 6372 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1182 -12.1182 -10.3540 -10.3540 -10.3315 -10.3315 -10.0795 -10.0795 -10.0770 -10.0770 -6.1475 -6.1475 -6.1449 -6.1449 -4.8851 -4.8851 -4.0998 -4.0998 -4.0762 -4.0762 -2.2616 -2.2616 -1.7086 -1.7086 -1.0187 -1.0187 -0.9888 -0.9888 -0.6658 -0.6658 1.0668 1.0668 1.2192 1.2192 1.7154 1.7154 k =-0.3462 0.1451 0.5422 ( 6362 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1181 -12.1181 -10.3537 -10.3537 -10.3315 -10.3315 -10.0796 -10.0796 -10.0775 -10.0775 -6.1473 -6.1473 -6.1449 -6.1449 -4.8814 -4.8814 -4.1017 -4.1017 -4.0826 -4.0826 -2.2619 -2.2619 -1.7086 -1.7086 -1.0087 -1.0087 -0.9833 -0.9833 -0.6700 -0.6700 1.0826 1.0826 1.2069 1.2069 1.7154 1.7154 k =-0.3654 0.1532 0.5422 ( 6362 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1180 -12.1180 -10.3534 -10.3534 -10.3316 -10.3316 -10.0797 -10.0797 -10.0779 -10.0779 -6.1472 -6.1472 -6.1448 -6.1448 -4.8779 -4.8779 -4.1035 -4.1035 -4.0885 -4.0885 -2.2621 -2.2621 -1.7086 -1.7086 -0.9993 -0.9993 -0.9783 -0.9783 -0.6740 -0.6740 1.0976 1.0976 1.1957 1.1957 1.7153 1.7153 k =-0.3846 0.1613 0.5422 ( 6364 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1180 -12.1180 -10.3532 -10.3532 -10.3317 -10.3317 -10.0799 -10.0799 -10.0782 -10.0782 -6.1471 -6.1471 -6.1448 -6.1448 -4.8747 -4.8747 -4.1051 -4.1051 -4.0938 -4.0938 -2.2623 -2.2623 -1.7086 -1.7086 -0.9907 -0.9907 -0.9737 -0.9737 -0.6779 -0.6779 1.1116 1.1116 1.1856 1.1856 1.7152 1.7152 k =-0.4038 0.1693 0.5422 ( 6366 PWs) bands (ev): -16.6020 -16.6020 -16.0196 -16.0196 -12.1179 -12.1179 -10.3530 -10.3530 -10.3317 -10.3317 -10.0800 -10.0800 -10.0785 -10.0785 -6.1470 -6.1470 -6.1447 -6.1447 -4.8719 -4.8719 -4.1065 -4.1065 -4.0985 -4.0985 -2.2624 -2.2624 -1.7086 -1.7086 -0.9832 -0.9832 -0.9695 -0.9695 -0.6814 -0.6814 1.1242 1.1242 1.1769 1.1769 1.7152 1.7152 k =-0.4231 0.1774 0.5422 ( 6362 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1178 -12.1178 -10.3528 -10.3528 -10.3317 -10.3317 -10.0801 -10.0801 -10.0787 -10.0787 -6.1469 -6.1469 -6.1447 -6.1447 -4.8696 -4.8696 -4.1077 -4.1077 -4.1024 -4.1024 -2.2626 -2.2626 -1.7086 -1.7086 -0.9770 -0.9770 -0.9658 -0.9658 -0.6845 -0.6845 1.1351 1.1351 1.1696 1.1696 1.7151 1.7151 k =-0.4423 0.1855 0.5422 ( 6354 PWs) bands (ev): -16.6019 -16.6019 -16.0195 -16.0195 -12.1178 -12.1178 -10.3527 -10.3527 -10.3318 -10.3318 -10.0802 -10.0802 -10.0789 -10.0789 -6.1468 -6.1468 -6.1446 -6.1446 -4.8677 -4.8677 -4.1087 -4.1087 -4.1055 -4.1055 -2.2627 -2.2627 -1.7085 -1.7085 -0.9722 -0.9722 -0.9625 -0.9625 -0.6871 -0.6871 1.1438 1.1438 1.1640 1.1640 1.7151 1.7151 k =-0.4615 0.1935 0.5422 ( 6342 PWs) bands (ev): -16.6018 -16.6018 -16.0195 -16.0195 -12.1177 -12.1177 -10.3526 -10.3526 -10.3318 -10.3318 -10.0803 -10.0803 -10.0790 -10.0790 -6.1468 -6.1468 -6.1446 -6.1446 -4.8663 -4.8663 -4.1095 -4.1095 -4.1076 -4.1076 -2.2628 -2.2628 -1.7085 -1.7085 -0.9689 -0.9689 -0.9599 -0.9599 -0.6890 -0.6890 1.1499 1.1499 1.1602 1.1602 1.7151 1.7151 k =-0.4808 0.2016 0.5422 ( 6338 PWs) bands (ev): -16.6018 -16.6018 -16.0195 -16.0195 -12.1177 -12.1177 -10.3525 -10.3525 -10.3318 -10.3318 -10.0804 -10.0804 -10.0790 -10.0790 -6.1468 -6.1468 -6.1446 -6.1446 -4.8655 -4.8655 -4.1101 -4.1101 -4.1087 -4.1087 -2.2628 -2.2628 -1.7085 -1.7085 -0.9671 -0.9671 -0.9582 -0.9582 -0.6902 -0.6902 1.1529 1.1529 1.1587 1.1587 1.7150 1.7150 k =-0.5000 0.2097 0.5422 ( 6342 PWs) bands (ev): -16.6018 -16.6018 -16.0195 -16.0195 -12.1177 -12.1177 -10.3525 -10.3525 -10.3318 -10.3318 -10.0804 -10.0804 -10.0791 -10.0791 -6.1467 -6.1467 -6.1445 -6.1445 -4.8652 -4.8652 -4.1104 -4.1104 -4.1091 -4.1091 -2.2628 -2.2628 -1.7085 -1.7085 -0.9665 -0.9665 -0.9576 -0.9576 -0.6907 -0.6907 1.1534 1.1534 1.1588 1.1588 1.7150 1.7150 k =-0.5000 0.2097 0.5422 ( 6342 PWs) bands (ev): -16.6018 -16.6018 -16.0195 -16.0195 -12.1177 -12.1177 -10.3525 -10.3525 -10.3318 -10.3318 -10.0804 -10.0804 -10.0791 -10.0791 -6.1467 -6.1467 -6.1445 -6.1445 -4.8652 -4.8652 -4.1104 -4.1104 -4.1091 -4.1091 -2.2628 -2.2628 -1.7085 -1.7085 -0.9665 -0.9665 -0.9576 -0.9576 -0.6907 -0.6907 1.1534 1.1534 1.1588 1.1588 1.7150 1.7150 k =-0.4865 0.2040 0.5275 ( 6342 PWs) bands (ev): -16.6018 -16.6018 -16.0195 -16.0195 -12.1177 -12.1177 -10.3525 -10.3525 -10.3318 -10.3318 -10.0804 -10.0804 -10.0790 -10.0790 -6.1468 -6.1468 -6.1446 -6.1446 -4.8655 -4.8655 -4.1102 -4.1102 -4.1087 -4.1087 -2.2628 -2.2628 -1.7085 -1.7085 -0.9671 -0.9671 -0.9581 -0.9581 -0.6903 -0.6903 1.1531 1.1531 1.1585 1.1585 1.7150 1.7150 k =-0.4730 0.1983 0.5129 ( 6346 PWs) bands (ev): -16.6018 -16.6018 -16.0195 -16.0195 -12.1177 -12.1177 -10.3526 -10.3526 -10.3318 -10.3318 -10.0803 -10.0803 -10.0790 -10.0790 -6.1468 -6.1468 -6.1446 -6.1446 -4.8663 -4.8663 -4.1099 -4.1099 -4.1072 -4.1072 -2.2628 -2.2628 -1.7085 -1.7085 -0.9695 -0.9695 -0.9592 -0.9592 -0.6891 -0.6891 1.1522 1.1522 1.1580 1.1580 1.7151 1.7151 k =-0.4595 0.1927 0.4982 ( 6362 PWs) bands (ev): -16.6019 -16.6019 -16.0196 -16.0196 -12.1178 -12.1178 -10.3527 -10.3527 -10.3318 -10.3318 -10.0802 -10.0802 -10.0789 -10.0789 -6.1468 -6.1468 -6.1446 -6.1446 -4.8676 -4.8676 -4.1097 -4.1097 -4.1045 -4.1045 -2.2627 -2.2627 -1.7085 -1.7085 -0.9745 -0.9745 -0.9600 -0.9600 -0.6873 -0.6873 1.1504 1.1504 1.1574 1.1574 1.7151 1.7151 k =-0.4459 0.1870 0.4836 ( 6368 PWs) bands (ev): -16.6019 -16.6019 -16.0196 -16.0196 -12.1178 -12.1178 -10.3528 -10.3528 -10.3318 -10.3318 -10.0801 -10.0801 -10.0787 -10.0787 -6.1469 -6.1469 -6.1447 -6.1447 -4.8694 -4.8694 -4.1096 -4.1096 -4.1008 -4.1008 -2.2626 -2.2626 -1.7086 -1.7086 -0.9819 -0.9819 -0.9600 -0.9600 -0.6849 -0.6849 1.1476 1.1476 1.1570 1.1570 1.7151 1.7151 k =-0.4324 0.1813 0.4689 ( 6370 PWs) bands (ev): -16.6019 -16.6019 -16.0196 -16.0196 -12.1179 -12.1179 -10.3530 -10.3530 -10.3317 -10.3317 -10.0799 -10.0799 -10.0786 -10.0786 -6.1469 -6.1469 -6.1447 -6.1447 -4.8716 -4.8716 -4.1095 -4.1095 -4.0961 -4.0961 -2.2624 -2.2624 -1.7086 -1.7086 -0.9912 -0.9912 -0.9597 -0.9597 -0.6822 -0.6822 1.1439 1.1439 1.1568 1.1568 1.7152 1.7152 k =-0.4189 0.1757 0.4543 ( 6362 PWs) bands (ev): -16.6019 -16.6019 -16.0195 -16.0195 -12.1180 -12.1180 -10.3532 -10.3532 -10.3317 -10.3317 -10.0797 -10.0797 -10.0783 -10.0783 -6.1470 -6.1470 -6.1448 -6.1448 -4.8741 -4.8741 -4.1093 -4.1093 -4.0907 -4.0907 -2.2623 -2.2623 -1.7086 -1.7086 -1.0019 -1.0019 -0.9591 -0.9591 -0.6793 -0.6793 1.1396 1.1396 1.1567 1.1567 1.7152 1.7152 k =-0.4054 0.1700 0.4396 ( 6358 PWs) bands (ev): -16.6019 -16.6019 -16.0195 -16.0195 -12.1180 -12.1180 -10.3534 -10.3534 -10.3316 -10.3316 -10.0795 -10.0795 -10.0781 -10.0781 -6.1471 -6.1471 -6.1449 -6.1449 -4.8769 -4.8769 -4.1091 -4.1091 -4.0846 -4.0846 -2.2621 -2.2621 -1.7086 -1.7086 -1.0136 -1.0136 -0.9583 -0.9583 -0.6763 -0.6763 1.1349 1.1349 1.1568 1.1568 1.7153 1.7153 k =-0.3919 0.1643 0.4249 ( 6360 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1181 -12.1181 -10.3537 -10.3537 -10.3315 -10.3315 -10.0793 -10.0793 -10.0778 -10.0778 -6.1472 -6.1472 -6.1450 -6.1450 -4.8798 -4.8798 -4.1090 -4.1090 -4.0782 -4.0782 -2.2619 -2.2619 -1.7086 -1.7086 -1.0258 -1.0258 -0.9573 -0.9573 -0.6734 -0.6734 1.1298 1.1298 1.1569 1.1569 1.7154 1.7154 k =-0.3784 0.1587 0.4103 ( 6368 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1182 -12.1182 -10.3540 -10.3540 -10.3315 -10.3315 -10.0790 -10.0790 -10.0775 -10.0775 -6.1473 -6.1473 -6.1451 -6.1451 -4.8827 -4.8827 -4.1088 -4.1088 -4.0715 -4.0715 -2.2617 -2.2617 -1.7086 -1.7086 -1.0382 -1.0382 -0.9562 -0.9562 -0.6707 -0.6707 1.1247 1.1247 1.1571 1.1571 1.7155 1.7155 k =-0.3649 0.1530 0.3956 ( 6369 PWs) bands (ev): -16.6020 -16.6020 -16.0195 -16.0195 -12.1183 -12.1183 -10.3543 -10.3543 -10.3314 -10.3314 -10.0787 -10.0787 -10.0771 -10.0771 -6.1474 -6.1474 -6.1452 -6.1452 -4.8857 -4.8857 -4.1085 -4.1085 -4.0648 -4.0648 -2.2614 -2.2614 -1.7086 -1.7086 -1.0503 -1.0503 -0.9549 -0.9549 -0.6682 -0.6682 1.1195 1.1195 1.1574 1.1574 1.7156 1.7156 k =-0.3514 0.1473 0.3810 ( 6367 PWs) bands (ev): -16.6020 -16.6020 -16.0194 -16.0194 -12.1185 -12.1185 -10.3546 -10.3546 -10.3313 -10.3313 -10.0784 -10.0784 -10.0768 -10.0768 -6.1476 -6.1476 -6.1454 -6.1454 -4.8884 -4.8884 -4.1083 -4.1083 -4.0582 -4.0582 -2.2612 -2.2612 -1.7086 -1.7086 -1.0618 -1.0618 -0.9534 -0.9534 -0.6658 -0.6658 1.1145 1.1145 1.1579 1.1579 1.7157 1.7157 k =-0.3378 0.1417 0.3663 ( 6359 PWs) bands (ev): -16.6021 -16.6021 -16.0194 -16.0194 -12.1186 -12.1186 -10.3550 -10.3550 -10.3313 -10.3313 -10.0781 -10.0781 -10.0764 -10.0764 -6.1477 -6.1477 -6.1455 -6.1455 -4.8910 -4.8910 -4.1081 -4.1081 -4.0519 -4.0519 -2.2610 -2.2610 -1.7086 -1.7086 -1.0724 -1.0724 -0.9518 -0.9518 -0.6638 -0.6638 1.1097 1.1097 1.1584 1.1584 1.7159 1.7159 k =-0.3243 0.1360 0.3517 ( 6359 PWs) bands (ev): -16.6021 -16.6021 -16.0194 -16.0194 -12.1187 -12.1187 -10.3553 -10.3553 -10.3312 -10.3312 -10.0778 -10.0778 -10.0760 -10.0760 -6.1478 -6.1478 -6.1456 -6.1456 -4.8933 -4.8933 -4.1078 -4.1078 -4.0461 -4.0461 -2.2607 -2.2607 -1.7086 -1.7086 -1.0818 -1.0818 -0.9501 -0.9501 -0.6620 -0.6620 1.1052 1.1052 1.1590 1.1590 1.7160 1.7160 k =-0.3108 0.1303 0.3370 ( 6359 PWs) bands (ev): -16.6021 -16.6021 -16.0194 -16.0194 -12.1188 -12.1188 -10.3557 -10.3557 -10.3311 -10.3311 -10.0774 -10.0774 -10.0756 -10.0756 -6.1480 -6.1480 -6.1458 -6.1458 -4.8952 -4.8952 -4.1075 -4.1075 -4.0410 -4.0410 -2.2605 -2.2605 -1.7086 -1.7086 -1.0898 -1.0898 -0.9483 -0.9483 -0.6605 -0.6605 1.1012 1.1012 1.1598 1.1598 1.7162 1.7162 k =-0.2973 0.1247 0.3224 ( 6363 PWs) bands (ev): -16.6022 -16.6022 -16.0194 -16.0194 -12.1189 -12.1189 -10.3561 -10.3561 -10.3310 -10.3310 -10.0771 -10.0771 -10.0752 -10.0752 -6.1481 -6.1481 -6.1459 -6.1459 -4.8967 -4.8967 -4.1072 -4.1072 -4.0367 -4.0367 -2.2603 -2.2603 -1.7086 -1.7086 -1.0961 -1.0961 -0.9463 -0.9463 -0.6593 -0.6593 1.0976 1.0976 1.1607 1.1607 1.7164 1.7164 k =-0.2838 0.1190 0.3077 ( 6363 PWs) bands (ev): -16.6022 -16.6022 -16.0194 -16.0194 -12.1191 -12.1191 -10.3565 -10.3565 -10.3309 -10.3309 -10.0768 -10.0768 -10.0748 -10.0748 -6.1483 -6.1483 -6.1461 -6.1461 -4.8978 -4.8978 -4.1070 -4.1070 -4.0332 -4.0332 -2.2601 -2.2601 -1.7085 -1.7085 -1.1006 -1.1006 -0.9443 -0.9443 -0.6584 -0.6584 1.0946 1.0946 1.1617 1.1617 1.7165 1.7165 k =-0.2703 0.1133 0.2931 ( 6363 PWs) bands (ev): -16.6022 -16.6022 -16.0194 -16.0194 -12.1192 -12.1192 -10.3568 -10.3568 -10.3309 -10.3309 -10.0764 -10.0764 -10.0745 -10.0745 -6.1484 -6.1484 -6.1462 -6.1462 -4.8984 -4.8984 -4.1067 -4.1067 -4.0308 -4.0308 -2.2599 -2.2599 -1.7085 -1.7085 -1.1031 -1.1031 -0.9421 -0.9421 -0.6577 -0.6577 1.0921 1.0921 1.1629 1.1629 1.7167 1.7167 k =-0.2568 0.1077 0.2784 ( 6371 PWs) bands (ev): -16.6022 -16.6022 -16.0194 -16.0194 -12.1193 -12.1193 -10.3572 -10.3572 -10.3308 -10.3308 -10.0761 -10.0761 -10.0741 -10.0741 -6.1486 -6.1486 -6.1464 -6.1464 -4.8985 -4.8985 -4.1064 -4.1064 -4.0294 -4.0294 -2.2598 -2.2598 -1.7084 -1.7084 -1.1035 -1.1035 -0.9398 -0.9398 -0.6573 -0.6573 1.0904 1.0904 1.1642 1.1642 1.7170 1.7170 k =-0.2432 0.1020 0.2638 ( 6359 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1194 -12.1194 -10.3575 -10.3575 -10.3307 -10.3307 -10.0757 -10.0757 -10.0738 -10.0738 -6.1488 -6.1488 -6.1465 -6.1465 -4.8981 -4.8981 -4.1061 -4.1061 -4.0291 -4.0291 -2.2596 -2.2596 -1.7084 -1.7084 -1.1018 -1.1018 -0.9374 -0.9374 -0.6572 -0.6572 1.0894 1.0894 1.1657 1.1657 1.7172 1.7172 k =-0.2297 0.0963 0.2491 ( 6361 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1195 -12.1195 -10.3579 -10.3579 -10.3306 -10.3306 -10.0754 -10.0754 -10.0734 -10.0734 -6.1489 -6.1489 -6.1467 -6.1467 -4.8971 -4.8971 -4.1058 -4.1058 -4.0298 -4.0298 -2.2595 -2.2595 -1.7083 -1.7083 -1.0980 -1.0980 -0.9350 -0.9350 -0.6573 -0.6573 1.0892 1.0892 1.1673 1.1673 1.7174 1.7174 k =-0.2162 0.0907 0.2345 ( 6375 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1196 -12.1196 -10.3582 -10.3582 -10.3305 -10.3305 -10.0750 -10.0750 -10.0731 -10.0731 -6.1490 -6.1490 -6.1468 -6.1468 -4.8957 -4.8957 -4.1055 -4.1055 -4.0316 -4.0316 -2.2594 -2.2594 -1.7083 -1.7083 -1.0921 -1.0921 -0.9326 -0.9326 -0.6577 -0.6577 1.0899 1.0899 1.1691 1.1691 1.7176 1.7176 k =-0.2027 0.0850 0.2198 ( 6373 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1197 -12.1197 -10.3585 -10.3585 -10.3304 -10.3304 -10.0747 -10.0747 -10.0728 -10.0728 -6.1492 -6.1492 -6.1470 -6.1470 -4.8939 -4.8939 -4.1052 -4.1052 -4.0345 -4.0345 -2.2593 -2.2593 -1.7082 -1.7082 -1.0842 -1.0842 -0.9302 -0.9302 -0.6585 -0.6585 1.0915 1.0915 1.1709 1.1709 1.7178 1.7178 k =-0.1892 0.0793 0.2051 ( 6383 PWs) bands (ev): -16.6024 -16.6024 -16.0194 -16.0194 -12.1198 -12.1198 -10.3589 -10.3589 -10.3304 -10.3304 -10.0744 -10.0744 -10.0726 -10.0726 -6.1493 -6.1493 -6.1471 -6.1471 -4.8915 -4.8915 -4.1049 -4.1049 -4.0382 -4.0382 -2.2593 -2.2593 -1.7081 -1.7081 -1.0745 -1.0745 -0.9278 -0.9278 -0.6596 -0.6596 1.0942 1.0942 1.1729 1.1729 1.7181 1.7181 k =-0.1757 0.0737 0.1905 ( 6373 PWs) bands (ev): -16.6024 -16.6024 -16.0194 -16.0194 -12.1198 -12.1198 -10.3591 -10.3591 -10.3303 -10.3303 -10.0741 -10.0741 -10.0723 -10.0723 -6.1494 -6.1494 -6.1472 -6.1472 -4.8888 -4.8888 -4.1047 -4.1047 -4.0428 -4.0428 -2.2592 -2.2592 -1.7080 -1.7080 -1.0630 -1.0630 -0.9253 -0.9253 -0.6610 -0.6610 1.0979 1.0979 1.1750 1.1750 1.7183 1.7183 k =-0.1622 0.0680 0.1758 ( 6379 PWs) bands (ev): -16.6025 -16.6025 -16.0194 -16.0194 -12.1199 -12.1199 -10.3594 -10.3594 -10.3302 -10.3302 -10.0738 -10.0738 -10.0721 -10.0721 -6.1496 -6.1496 -6.1474 -6.1474 -4.8858 -4.8858 -4.1044 -4.1044 -4.0480 -4.0480 -2.2592 -2.2592 -1.7079 -1.7079 -1.0502 -1.0502 -0.9230 -0.9230 -0.6628 -0.6628 1.1027 1.1027 1.1771 1.1771 1.7185 1.7185 k =-0.1486 0.0623 0.1612 ( 6371 PWs) bands (ev): -16.6025 -16.6025 -16.0193 -16.0193 -12.1200 -12.1200 -10.3596 -10.3596 -10.3301 -10.3301 -10.0735 -10.0735 -10.0719 -10.0719 -6.1497 -6.1497 -6.1475 -6.1475 -4.8825 -4.8825 -4.1042 -4.1042 -4.0538 -4.0538 -2.2592 -2.2592 -1.7078 -1.7078 -1.0361 -1.0361 -0.9207 -0.9207 -0.6649 -0.6649 1.1087 1.1087 1.1792 1.1792 1.7187 1.7187 k =-0.1351 0.0567 0.1465 ( 6363 PWs) bands (ev): -16.6025 -16.6025 -16.0193 -16.0193 -12.1200 -12.1200 -10.3599 -10.3599 -10.3300 -10.3300 -10.0733 -10.0733 -10.0717 -10.0717 -6.1498 -6.1498 -6.1476 -6.1476 -4.8791 -4.8791 -4.1039 -4.1039 -4.0599 -4.0599 -2.2592 -2.2592 -1.7077 -1.7077 -1.0211 -1.0211 -0.9184 -0.9184 -0.6675 -0.6675 1.1157 1.1157 1.1813 1.1813 1.7190 1.7190 k =-0.1216 0.0510 0.1319 ( 6363 PWs) bands (ev): -16.6025 -16.6025 -16.0193 -16.0193 -12.1201 -12.1201 -10.3601 -10.3601 -10.3300 -10.3300 -10.0731 -10.0731 -10.0716 -10.0716 -6.1499 -6.1499 -6.1477 -6.1477 -4.8756 -4.8756 -4.1037 -4.1037 -4.0662 -4.0662 -2.2593 -2.2593 -1.7076 -1.7076 -1.0055 -1.0055 -0.9163 -0.9163 -0.6705 -0.6705 1.1238 1.1238 1.1834 1.1834 1.7191 1.7191 k =-0.1081 0.0453 0.1172 ( 6365 PWs) bands (ev): -16.6026 -16.6026 -16.0193 -16.0193 -12.1201 -12.1201 -10.3603 -10.3603 -10.3299 -10.3299 -10.0729 -10.0729 -10.0714 -10.0714 -6.1500 -6.1500 -6.1478 -6.1478 -4.8720 -4.8720 -4.1036 -4.1036 -4.0725 -4.0725 -2.2593 -2.2593 -1.7075 -1.7075 -0.9897 -0.9897 -0.9144 -0.9144 -0.6739 -0.6739 1.1328 1.1328 1.1855 1.1855 1.7193 1.7193 k =-0.0946 0.0397 0.1026 ( 6381 PWs) bands (ev): -16.6026 -16.6026 -16.0193 -16.0193 -12.1201 -12.1201 -10.3604 -10.3604 -10.3299 -10.3299 -10.0727 -10.0727 -10.0713 -10.0713 -6.1500 -6.1500 -6.1478 -6.1478 -4.8686 -4.8686 -4.1034 -4.1034 -4.0787 -4.0787 -2.2593 -2.2593 -1.7075 -1.7075 -0.9740 -0.9740 -0.9126 -0.9126 -0.6776 -0.6776 1.1426 1.1426 1.1874 1.1874 1.7195 1.7195 k =-0.0811 0.0340 0.0879 ( 6373 PWs) bands (ev): -16.6026 -16.6026 -16.0193 -16.0193 -12.1202 -12.1202 -10.3606 -10.3606 -10.3299 -10.3299 -10.0726 -10.0726 -10.0712 -10.0712 -6.1501 -6.1501 -6.1479 -6.1479 -4.8654 -4.8654 -4.1032 -4.1032 -4.0844 -4.0844 -2.2594 -2.2594 -1.7074 -1.7074 -0.9590 -0.9590 -0.9109 -0.9109 -0.6816 -0.6816 1.1528 1.1528 1.1892 1.1892 1.7196 1.7196 k =-0.0676 0.0283 0.0733 ( 6377 PWs) bands (ev): -16.6026 -16.6026 -16.0194 -16.0194 -12.1202 -12.1202 -10.3607 -10.3607 -10.3299 -10.3299 -10.0725 -10.0725 -10.0711 -10.0711 -6.1502 -6.1502 -6.1480 -6.1480 -4.8624 -4.8624 -4.1031 -4.1031 -4.0897 -4.0897 -2.2594 -2.2594 -1.7073 -1.7073 -0.9451 -0.9451 -0.9093 -0.9093 -0.6856 -0.6856 1.1629 1.1629 1.1908 1.1908 1.7198 1.7198 k =-0.0541 0.0227 0.0586 ( 6387 PWs) bands (ev): -16.6027 -16.6027 -16.0194 -16.0194 -12.1202 -12.1202 -10.3608 -10.3608 -10.3298 -10.3298 -10.0724 -10.0724 -10.0710 -10.0710 -6.1502 -6.1502 -6.1480 -6.1480 -4.8599 -4.8599 -4.1030 -4.1030 -4.0942 -4.0942 -2.2595 -2.2595 -1.7073 -1.7073 -0.9328 -0.9328 -0.9079 -0.9079 -0.6896 -0.6896 1.1726 1.1726 1.1922 1.1922 1.7199 1.7199 k =-0.0405 0.0170 0.0440 ( 6387 PWs) bands (ev): -16.6027 -16.6027 -16.0194 -16.0194 -12.1202 -12.1202 -10.3609 -10.3609 -10.3298 -10.3298 -10.0723 -10.0723 -10.0710 -10.0710 -6.1503 -6.1503 -6.1481 -6.1481 -4.8578 -4.8578 -4.1030 -4.1030 -4.0978 -4.0978 -2.2595 -2.2595 -1.7072 -1.7072 -0.9228 -0.9228 -0.9065 -0.9065 -0.6931 -0.6931 1.1810 1.1810 1.1934 1.1934 1.7200 1.7200 k =-0.0270 0.0113 0.0293 ( 6397 PWs) bands (ev): -16.6028 -16.6028 -16.0194 -16.0194 -12.1202 -12.1202 -10.3609 -10.3609 -10.3298 -10.3298 -10.0722 -10.0722 -10.0709 -10.0709 -6.1503 -6.1503 -6.1481 -6.1481 -4.8563 -4.8563 -4.1030 -4.1030 -4.1004 -4.1004 -2.2595 -2.2595 -1.7072 -1.7072 -0.9158 -0.9158 -0.9047 -0.9047 -0.6960 -0.6960 1.1874 1.1874 1.1947 1.1947 1.7200 1.7200 k =-0.0135 0.0057 0.0147 ( 6409 PWs) bands (ev): -16.6028 -16.6028 -16.0194 -16.0194 -12.1203 -12.1203 -10.3610 -10.3610 -10.3298 -10.3298 -10.0722 -10.0722 -10.0709 -10.0709 -6.1503 -6.1503 -6.1481 -6.1481 -4.8553 -4.8553 -4.1033 -4.1033 -4.1018 -4.1018 -2.2596 -2.2596 -1.7072 -1.7072 -0.9123 -0.9123 -0.9028 -0.9028 -0.6979 -0.6979 1.1908 1.1908 1.1961 1.1961 1.7201 1.7201 k = 0.0000 0.0000 0.0000 ( 6403 PWs) bands (ev): -16.6027 -16.6027 -16.0194 -16.0194 -12.1203 -12.1203 -10.3610 -10.3610 -10.3298 -10.3298 -10.0722 -10.0722 -10.0709 -10.0709 -6.1503 -6.1503 -6.1481 -6.1481 -4.8550 -4.8550 -4.1035 -4.1035 -4.1022 -4.1022 -2.2596 -2.2596 -1.7072 -1.7072 -0.9113 -0.9113 -0.9020 -0.9020 -0.6985 -0.6985 1.1918 1.1918 1.1969 1.1969 1.7201 1.7201 k = 0.0000 0.0000 0.0000 ( 6403 PWs) bands (ev): -16.6027 -16.6027 -16.0194 -16.0194 -12.1203 -12.1203 -10.3610 -10.3610 -10.3298 -10.3298 -10.0722 -10.0722 -10.0709 -10.0709 -6.1503 -6.1503 -6.1481 -6.1481 -4.8550 -4.8550 -4.1035 -4.1035 -4.1022 -4.1022 -2.2596 -2.2596 -1.7072 -1.7072 -0.9113 -0.9113 -0.9020 -0.9020 -0.6985 -0.6985 1.1918 1.1918 1.1969 1.1969 1.7201 1.7201 k = 0.0080 0.0192-0.0000 ( 6411 PWs) bands (ev): -16.6024 -16.6024 -16.0198 -16.0198 -12.1202 -12.1202 -10.3608 -10.3608 -10.3297 -10.3297 -10.0723 -10.0723 -10.0710 -10.0710 -6.1505 -6.1505 -6.1483 -6.1483 -4.8579 -4.8579 -4.1024 -4.1024 -4.1011 -4.1011 -2.2544 -2.2544 -1.7071 -1.7071 -0.9108 -0.9108 -0.9014 -0.9014 -0.7002 -0.7002 1.1905 1.1905 1.1956 1.1956 1.7216 1.7216 k = 0.0161 0.0384-0.0000 ( 6407 PWs) bands (ev): -16.6014 -16.6014 -16.0211 -16.0211 -12.1198 -12.1198 -10.3605 -10.3605 -10.3294 -10.3294 -10.0727 -10.0727 -10.0714 -10.0714 -6.1511 -6.1511 -6.1489 -6.1489 -4.8663 -4.8663 -4.0991 -4.0991 -4.0978 -4.0978 -2.2389 -2.2389 -1.7069 -1.7069 -0.9091 -0.9091 -0.8997 -0.8997 -0.7052 -0.7052 1.1869 1.1869 1.1920 1.1920 1.7261 1.7261 k = 0.0241 0.0576-0.0000 ( 6383 PWs) bands (ev): -16.5997 -16.5997 -16.0230 -16.0230 -12.1193 -12.1193 -10.3599 -10.3599 -10.3288 -10.3288 -10.0734 -10.0734 -10.0721 -10.0721 -6.1520 -6.1520 -6.1499 -6.1499 -4.8802 -4.8802 -4.0936 -4.0936 -4.0923 -4.0923 -2.2134 -2.2134 -1.7064 -1.7064 -0.9063 -0.9063 -0.8969 -0.8969 -0.7135 -0.7135 1.1808 1.1808 1.1859 1.1859 1.7335 1.7335 k = 0.0322 0.0767-0.0000 ( 6367 PWs) bands (ev): -16.5973 -16.5973 -16.0259 -16.0259 -12.1186 -12.1186 -10.3591 -10.3591 -10.3281 -10.3281 -10.0743 -10.0743 -10.0730 -10.0730 -6.1534 -6.1534 -6.1512 -6.1512 -4.8990 -4.8990 -4.0860 -4.0860 -4.0847 -4.0847 -2.1782 -2.1782 -1.7058 -1.7058 -0.9024 -0.9024 -0.8930 -0.8930 -0.7249 -0.7249 1.1724 1.1724 1.1774 1.1774 1.7438 1.7438 k = 0.0402 0.0959-0.0000 ( 6367 PWs) bands (ev): -16.5943 -16.5943 -16.0296 -16.0296 -12.1177 -12.1177 -10.3581 -10.3581 -10.3272 -10.3272 -10.0755 -10.0755 -10.0742 -10.0742 -6.1550 -6.1550 -6.1529 -6.1529 -4.9223 -4.9223 -4.0763 -4.0763 -4.0751 -4.0751 -2.1340 -2.1340 -1.7050 -1.7050 -0.8974 -0.8974 -0.8880 -0.8880 -0.7393 -0.7393 1.1617 1.1617 1.1666 1.1666 1.7567 1.7567 k = 0.0483 0.1151-0.0000 ( 6359 PWs) bands (ev): -16.5906 -16.5906 -16.0340 -16.0340 -12.1167 -12.1167 -10.3568 -10.3568 -10.3262 -10.3262 -10.0769 -10.0769 -10.0756 -10.0756 -6.1570 -6.1570 -6.1550 -6.1550 -4.9496 -4.9496 -4.0648 -4.0648 -4.0635 -4.0635 -2.0812 -2.0812 -1.7039 -1.7039 -0.8914 -0.8914 -0.8819 -0.8819 -0.7564 -0.7564 1.1487 1.1487 1.1536 1.1536 1.7721 1.7721 k = 0.0563 0.1343-0.0000 ( 6359 PWs) bands (ev): -16.5863 -16.5863 -16.0393 -16.0393 -12.1154 -12.1154 -10.3554 -10.3554 -10.3250 -10.3250 -10.0785 -10.0785 -10.0772 -10.0772 -6.1593 -6.1593 -6.1573 -6.1573 -4.9802 -4.9802 -4.0513 -4.0513 -4.0500 -4.0500 -2.0205 -2.0205 -1.7026 -1.7026 -0.8843 -0.8843 -0.8748 -0.8748 -0.7762 -0.7762 1.1336 1.1336 1.1385 1.1385 1.7898 1.7898 k = 0.0644 0.1535-0.0000 ( 6367 PWs) bands (ev): -16.5813 -16.5813 -16.0453 -16.0453 -12.1140 -12.1140 -10.3537 -10.3537 -10.3236 -10.3236 -10.0803 -10.0803 -10.0791 -10.0791 -6.1618 -6.1618 -6.1599 -6.1599 -5.0136 -5.0136 -4.0362 -4.0362 -4.0349 -4.0349 -1.9525 -1.9525 -1.7010 -1.7010 -0.8762 -0.8762 -0.8667 -0.8667 -0.7984 -0.7984 1.1165 1.1165 1.1212 1.1212 1.8095 1.8095 k = 0.0724 0.1727-0.0000 ( 6379 PWs) bands (ev): -16.5758 -16.5758 -16.0520 -16.0520 -12.1125 -12.1125 -10.3519 -10.3519 -10.3221 -10.3221 -10.0823 -10.0823 -10.0811 -10.0811 -6.1646 -6.1646 -6.1627 -6.1627 -5.0491 -5.0491 -4.0195 -4.0195 -4.0182 -4.0182 -1.8779 -1.8779 -1.6991 -1.6991 -0.8672 -0.8672 -0.8576 -0.8576 -0.8226 -0.8226 1.0974 1.0974 1.1021 1.1021 1.8310 1.8310 k = 0.0805 0.1919-0.0000 ( 6375 PWs) bands (ev): -16.5696 -16.5696 -16.0594 -16.0594 -12.1108 -12.1108 -10.3499 -10.3499 -10.3205 -10.3205 -10.0845 -10.0845 -10.0833 -10.0833 -6.1676 -6.1676 -6.1657 -6.1657 -5.0861 -5.0861 -4.0013 -4.0013 -4.0001 -4.0001 -1.7974 -1.7974 -1.6968 -1.6968 -0.8573 -0.8573 -0.8487 -0.8487 -0.8476 -0.8476 1.0766 1.0766 1.0812 1.0812 1.8541 1.8541 k = 0.0885 0.2111-0.0000 ( 6371 PWs) bands (ev): -16.5627 -16.5627 -16.0676 -16.0676 -12.1090 -12.1090 -10.3478 -10.3478 -10.3188 -10.3188 -10.0868 -10.0868 -10.0856 -10.0856 -6.1707 -6.1707 -6.1689 -6.1689 -5.1242 -5.1242 -3.9820 -3.9820 -3.9807 -3.9807 -1.7117 -1.7117 -1.6937 -1.6937 -0.8764 -0.8764 -0.8465 -0.8465 -0.8368 -0.8368 1.0542 1.0542 1.0587 1.0587 1.8784 1.8784 k = 0.0965 0.2302-0.0000 ( 6359 PWs) bands (ev): -16.5553 -16.5553 -16.0764 -16.0764 -12.1071 -12.1071 -10.3455 -10.3455 -10.3170 -10.3170 -10.0892 -10.0892 -10.0881 -10.0881 -6.1739 -6.1739 -6.1722 -6.1722 -5.1628 -5.1628 -3.9615 -3.9615 -3.9603 -3.9603 -1.6911 -1.6911 -1.6202 -1.6202 -0.9054 -0.9054 -0.8349 -0.8349 -0.8251 -0.8251 1.0304 1.0304 1.0348 1.0348 1.9038 1.9038 k = 0.1046 0.2494-0.0000 ( 6355 PWs) bands (ev): -16.5472 -16.5472 -16.0859 -16.0859 -12.1051 -12.1051 -10.3432 -10.3432 -10.3152 -10.3152 -10.0917 -10.0917 -10.0906 -10.0906 -6.1772 -6.1772 -6.1756 -6.1756 -5.2015 -5.2015 -3.9402 -3.9402 -3.9390 -3.9390 -1.6874 -1.6874 -1.5251 -1.5251 -0.9356 -0.9356 -0.8226 -0.8226 -0.8128 -0.8128 1.0052 1.0052 1.0095 1.0095 1.9172 1.9300 k = 0.1126 0.2686-0.0000 ( 6355 PWs) bands (ev): -16.5386 -16.5386 -16.0960 -16.0960 -12.1031 -12.1031 -10.3407 -10.3407 -10.3134 -10.3134 -10.0942 -10.0942 -10.0933 -10.0933 -6.1805 -6.1805 -6.1790 -6.1790 -5.2399 -5.2399 -3.9183 -3.9183 -3.9171 -3.9171 -1.6831 -1.6831 -1.4261 -1.4261 -0.9666 -0.9666 -0.8097 -0.8097 -0.7997 -0.7997 0.9790 0.9790 0.9832 0.9832 1.9318 1.9568 k = 0.1207 0.2878-0.0000 ( 6362 PWs) bands (ev): -16.5295 -16.5295 -16.1066 -16.1066 -12.1010 -12.1010 -10.3382 -10.3382 -10.3116 -10.3116 -10.0969 -10.0969 -10.0959 -10.0959 -6.1839 -6.1839 -6.1824 -6.1824 -5.2776 -5.2776 -3.8959 -3.8959 -3.8947 -3.8947 -1.6783 -1.6783 -1.3238 -1.3238 -0.9983 -0.9983 -0.7963 -0.7963 -0.7862 -0.7862 0.9520 0.9520 0.9560 0.9560 1.9469 1.9469 k = 0.1287 0.3070-0.0000 ( 6354 PWs) bands (ev): -16.5199 -16.5199 -16.1178 -16.1178 -12.0990 -12.0990 -10.3356 -10.3356 -10.3097 -10.3097 -10.0995 -10.0995 -10.0986 -10.0986 -6.1872 -6.1872 -6.1858 -6.1858 -5.3144 -5.3144 -3.8732 -3.8732 -3.8721 -3.8721 -1.6727 -1.6727 -1.2186 -1.2186 -1.0303 -1.0303 -0.7824 -0.7824 -0.7722 -0.7722 0.9243 0.9243 0.9282 0.9282 1.9621 1.9621 k = 0.1368 0.3262-0.0000 ( 6338 PWs) bands (ev): -16.5096 -16.5096 -16.1294 -16.1294 -12.0969 -12.0969 -10.3329 -10.3329 -10.3079 -10.3079 -10.1021 -10.1021 -10.1012 -10.1012 -6.1904 -6.1904 -6.1891 -6.1891 -5.3499 -5.3499 -3.8506 -3.8506 -3.8495 -3.8495 -1.6665 -1.6665 -1.1110 -1.1110 -1.0626 -1.0626 -0.7681 -0.7681 -0.7579 -0.7579 0.8963 0.8963 0.9001 0.9001 1.9774 1.9774 k = 0.1448 0.3454-0.0000 ( 6358 PWs) bands (ev): -16.4990 -16.4990 -16.1416 -16.1416 -12.0948 -12.0948 -10.3303 -10.3303 -10.3062 -10.3062 -10.1047 -10.1047 -10.1039 -10.1039 -6.1936 -6.1936 -6.1924 -6.1924 -5.3839 -5.3839 -3.8282 -3.8282 -3.8272 -3.8272 -1.6596 -1.6596 -1.0950 -1.0950 -1.0016 -1.0016 -0.7538 -0.7538 -0.7435 -0.7435 0.8681 0.8681 0.8717 0.8717 1.9924 2.0653 k = 0.1529 0.3646-0.0000 ( 6358 PWs) bands (ev): -16.4879 -16.4879 -16.1542 -16.1542 -12.0928 -12.0928 -10.3277 -10.3277 -10.3046 -10.3046 -10.1072 -10.1072 -10.1065 -10.1065 -6.1967 -6.1967 -6.1955 -6.1955 -5.4162 -5.4162 -3.8062 -3.8062 -3.8053 -3.8053 -1.6517 -1.6517 -1.1272 -1.1272 -0.8908 -0.8908 -0.7393 -0.7393 -0.7290 -0.7290 0.8401 0.8401 0.8436 0.8436 2.0068 2.0068 k = 0.1609 0.3837-0.0000 ( 6366 PWs) bands (ev): -16.4763 -16.4763 -16.1672 -16.1672 -12.0909 -12.0909 -10.3251 -10.3251 -10.3031 -10.3031 -10.1096 -10.1096 -10.1089 -10.1089 -6.1996 -6.1996 -6.1985 -6.1985 -5.4466 -5.4466 -3.7849 -3.7849 -3.7840 -3.7840 -1.6431 -1.6431 -1.1592 -1.1592 -0.7795 -0.7795 -0.7246 -0.7246 -0.7147 -0.7147 0.8126 0.8126 0.8159 0.8159 2.0201 2.0201 k = 0.1690 0.4029-0.0000 ( 6358 PWs) bands (ev): -16.4643 -16.4643 -16.1804 -16.1804 -12.0890 -12.0890 -10.3226 -10.3226 -10.3018 -10.3018 -10.1119 -10.1119 -10.1113 -10.1113 -6.2023 -6.2023 -6.2013 -6.2013 -5.4748 -5.4748 -3.7646 -3.7646 -3.7637 -3.7637 -1.6335 -1.6335 -1.1907 -1.1907 -0.7123 -0.7123 -0.7007 -0.7007 -0.6658 -0.6658 0.7858 0.7858 0.7889 0.7889 2.0312 2.0312 k = 0.1770 0.4221-0.0000 ( 6346 PWs) bands (ev): -16.4518 -16.4518 -16.1941 -16.1941 -12.0873 -12.0873 -10.3201 -10.3201 -10.3005 -10.3005 -10.1141 -10.1141 -10.1136 -10.1136 -6.2048 -6.2048 -6.2040 -6.2040 -5.5009 -5.5009 -3.7453 -3.7453 -3.7445 -3.7445 -1.6229 -1.6229 -1.2217 -1.2217 -0.6984 -0.6984 -0.6872 -0.6872 -0.5549 -0.5549 0.7601 0.7601 0.7630 0.7630 2.0374 2.0374 k = 0.1850 0.4413-0.0000 ( 6378 PWs) bands (ev): -16.4391 -16.4391 -16.2081 -16.2081 -12.0856 -12.0856 -10.3177 -10.3177 -10.2996 -10.2996 -10.1162 -10.1162 -10.1157 -10.1157 -6.2072 -6.2072 -6.2064 -6.2064 -5.5246 -5.5246 -3.7274 -3.7274 -3.7267 -3.7267 -1.6114 -1.6114 -1.2521 -1.2521 -0.6857 -0.6857 -0.6745 -0.6745 -0.4449 -0.4449 0.7357 0.7357 0.7386 0.7386 2.0313 2.0313 k = 0.1931 0.4605-0.0000 ( 6390 PWs) bands (ev): -16.4260 -16.4260 -16.2223 -16.2223 -12.0841 -12.0841 -10.3155 -10.3155 -10.2987 -10.2987 -10.1180 -10.1180 -10.1176 -10.1176 -6.2093 -6.2093 -6.2086 -6.2086 -5.5457 -5.5457 -3.7109 -3.7109 -3.7103 -3.7103 -1.5988 -1.5988 -1.2817 -1.2817 -0.6741 -0.6741 -0.6628 -0.6628 -0.3373 -0.3373 0.7132 0.7132 0.7158 0.7158 1.9950 1.9950 k = 0.2011 0.4797-0.0000 ( 6398 PWs) bands (ev): -16.4126 -16.4126 -16.2366 -16.2366 -12.0828 -12.0828 -10.3134 -10.3134 -10.2980 -10.2980 -10.1197 -10.1197 -10.1193 -10.1193 -6.2112 -6.2112 -6.2106 -6.2106 -5.5644 -5.5644 -3.6962 -3.6962 -3.6957 -3.6957 -1.5851 -1.5851 -1.3104 -1.3104 -0.6637 -0.6637 -0.6524 -0.6524 -0.2337 -0.2337 0.6926 0.6926 0.6952 0.6952 1.9230 1.9230 k = 0.2092 0.4989-0.0000 ( 6402 PWs) bands (ev): -16.3989 -16.3989 -16.2512 -16.2512 -12.0816 -12.0816 -10.3114 -10.3114 -10.2975 -10.2975 -10.1212 -10.1212 -10.1209 -10.1209 -6.2128 -6.2128 -6.2123 -6.2123 -5.5803 -5.5803 -3.6834 -3.6834 -3.6829 -3.6829 -1.5704 -1.5704 -1.3383 -1.3383 -0.6548 -0.6548 -0.6433 -0.6433 -0.1360 -0.1360 0.6745 0.6745 0.6769 0.6769 1.8373 1.8373 k = 0.2172 0.5181-0.0000 ( 6382 PWs) bands (ev): -16.3849 -16.3849 -16.2657 -16.2657 -12.0807 -12.0807 -10.3096 -10.3096 -10.2972 -10.2972 -10.1224 -10.1224 -10.1222 -10.1222 -6.2141 -6.2141 -6.2137 -6.2137 -5.5935 -5.5935 -3.6726 -3.6726 -3.6722 -3.6722 -1.5544 -1.5544 -1.3651 -1.3651 -0.6475 -0.6475 -0.6360 -0.6360 -0.0466 -0.0466 0.6590 0.6590 0.6614 0.6614 1.7528 1.7528 k = 0.2253 0.5372-0.0000 ( 6390 PWs) bands (ev): -16.3708 -16.3708 -16.2804 -16.2804 -12.0799 -12.0799 -10.3080 -10.3080 -10.2971 -10.2971 -10.1235 -10.1235 -10.1233 -10.1233 -6.2152 -6.2152 -6.2149 -6.2149 -5.6040 -5.6040 -3.6639 -3.6639 -3.6636 -3.6636 -1.5374 -1.5374 -1.3909 -1.3909 -0.6420 -0.6420 -0.6305 -0.6305 0.0310 0.0310 0.6466 0.6466 0.6488 0.6488 1.6770 1.6770 k = 0.2333 0.5564-0.0000 ( 6398 PWs) bands (ev): -16.3564 -16.3564 -16.2952 -16.2952 -12.0793 -12.0793 -10.3066 -10.3066 -10.2973 -10.2973 -10.1243 -10.1243 -10.1241 -10.1241 -6.2160 -6.2160 -6.2158 -6.2158 -5.6116 -5.6116 -3.6575 -3.6575 -3.6573 -3.6573 -1.5192 -1.5192 -1.4156 -1.4156 -0.6387 -0.6387 -0.6271 -0.6271 0.0928 0.0928 0.6373 0.6373 0.6395 0.6395 1.6154 1.6154 k = 0.2414 0.5756-0.0000 ( 6398 PWs) bands (ev): -16.3419 -16.3419 -16.3099 -16.3099 -12.0789 -12.0789 -10.3054 -10.3054 -10.2977 -10.2977 -10.1248 -10.1248 -10.1247 -10.1247 -6.2165 -6.2165 -6.2164 -6.2164 -5.6163 -5.6163 -3.6534 -3.6534 -3.6533 -3.6533 -1.4999 -1.4999 -1.4392 -1.4392 -0.6374 -0.6374 -0.6258 -0.6258 0.1344 0.1344 0.6313 0.6313 0.6335 0.6335 1.5729 1.5729 k = 0.2494 0.5948-0.0000 ( 6390 PWs) bands (ev): -16.3273 -16.3273 -16.3245 -16.3245 -12.0787 -12.0787 -10.3043 -10.3043 -10.2983 -10.2983 -10.1251 -10.1251 -10.1251 -10.1251 -6.2167 -6.2167 -6.2166 -6.2166 -5.6182 -5.6182 -3.6517 -3.6517 -3.6517 -3.6517 -1.4794 -1.4794 -1.4617 -1.4617 -0.6383 -0.6383 -0.6267 -0.6267 0.1519 0.1519 0.6288 0.6288 0.6310 0.6310 1.5535 1.5535 k = 0.2575 0.6140-0.0000 ( 6382 PWs) bands (ev): -16.3392 -16.3392 -16.3125 -16.3125 -12.0787 -12.0787 -10.3035 -10.3035 -10.2991 -10.2991 -10.1252 -10.1252 -10.1252 -10.1252 -6.2167 -6.2167 -6.2165 -6.2165 -5.6172 -5.6172 -3.6526 -3.6526 -3.6525 -3.6525 -1.4830 -1.4830 -1.4578 -1.4578 -0.6415 -0.6415 -0.6299 -0.6299 0.1435 0.1435 0.6298 0.6298 0.6321 0.6321 1.5592 1.5592 k = 0.2655 0.6332-0.0000 ( 6390 PWs) bands (ev): -16.3537 -16.3537 -16.2978 -16.2978 -12.0790 -12.0790 -10.3030 -10.3030 -10.3001 -10.3001 -10.1251 -10.1251 -10.1250 -10.1250 -6.2164 -6.2164 -6.2161 -6.2161 -5.6133 -5.6133 -3.6558 -3.6558 -3.6556 -3.6556 -1.5031 -1.5031 -1.4351 -1.4351 -0.6468 -0.6468 -0.6353 -0.6353 0.1101 0.1101 0.6343 0.6343 0.6365 0.6365 1.5886 1.5886 k = 0.2735 0.6524-0.0000 ( 6390 PWs) bands (ev): -16.3680 -16.3680 -16.2831 -16.2831 -12.0794 -12.0794 -10.3026 -10.3026 -10.3014 -10.3014 -10.1247 -10.1247 -10.1245 -10.1245 -6.2158 -6.2158 -6.2155 -6.2155 -5.6066 -5.6066 -3.6614 -3.6614 -3.6611 -3.6611 -1.5221 -1.5221 -1.4113 -1.4113 -0.6541 -0.6541 -0.6427 -0.6427 0.0551 0.0551 0.6420 0.6420 0.6444 0.6444 1.6380 1.6380 k = 0.2816 0.6716-0.0000 ( 6390 PWs) bands (ev): -16.3822 -16.3822 -16.2684 -16.2684 -12.0800 -12.0800 -10.3028 -10.3028 -10.3024 -10.3024 -10.1241 -10.1241 -10.1239 -10.1239 -6.2149 -6.2149 -6.2145 -6.2145 -5.5970 -5.5970 -3.6693 -3.6693 -3.6689 -3.6689 -1.5399 -1.5399 -1.3866 -1.3866 -0.6634 -0.6634 -0.6521 -0.6521 -0.0172 -0.0172 0.6529 0.6529 0.6554 0.6554 1.7020 1.7020 k = 0.2896 0.6907-0.0000 ( 6382 PWs) bands (ev): -16.3962 -16.3962 -16.2537 -16.2537 -12.0809 -12.0809 -10.3044 -10.3044 -10.3025 -10.3025 -10.1233 -10.1233 -10.1230 -10.1230 -6.2137 -6.2137 -6.2132 -6.2132 -5.5846 -5.5846 -3.6794 -3.6794 -3.6790 -3.6790 -1.5566 -1.5566 -1.3611 -1.3611 -0.6743 -0.6743 -0.6631 -0.6631 -0.1024 -0.1024 0.6667 0.6667 0.6693 0.6693 1.7745 1.7745 k = 0.2977 0.7099-0.0000 ( 6382 PWs) bands (ev): -16.4099 -16.4099 -16.2392 -16.2392 -12.0819 -12.0819 -10.3062 -10.3062 -10.3028 -10.3028 -10.1222 -10.1222 -10.1218 -10.1218 -6.2122 -6.2122 -6.2116 -6.2116 -5.5695 -5.5695 -3.6917 -3.6917 -3.6911 -3.6911 -1.5721 -1.5721 -1.3347 -1.3347 -0.6867 -0.6867 -0.6756 -0.6756 -0.1967 -0.1967 0.6831 0.6831 0.6859 0.6859 1.8485 1.8485 k = 0.3057 0.7291-0.0000 ( 6406 PWs) bands (ev): -16.4234 -16.4234 -16.2248 -16.2248 -12.0831 -12.0831 -10.3082 -10.3082 -10.3033 -10.3033 -10.1209 -10.1209 -10.1205 -10.1205 -6.2104 -6.2104 -6.2097 -6.2097 -5.5518 -5.5518 -3.7059 -3.7059 -3.7053 -3.7053 -1.5866 -1.5866 -1.3079 -1.3079 -0.7004 -0.7004 -0.6894 -0.6894 -0.2974 -0.2974 0.7019 0.7019 0.7048 0.7048 1.9153 1.9153 k = 0.3138 0.7483-0.0000 ( 6406 PWs) bands (ev): -16.4365 -16.4365 -16.2106 -16.2106 -12.0844 -12.0844 -10.3103 -10.3103 -10.3040 -10.3040 -10.1195 -10.1195 -10.1190 -10.1190 -6.2084 -6.2084 -6.2076 -6.2076 -5.5314 -5.5314 -3.7220 -3.7220 -3.7213 -3.7213 -1.5999 -1.5999 -1.2807 -1.2807 -0.7150 -0.7150 -0.7042 -0.7042 -0.4019 -0.4019 0.7227 0.7227 0.7258 0.7258 1.9655 1.9655 k = 0.3218 0.7675-0.0000 ( 6406 PWs) bands (ev): -16.4493 -16.4493 -16.1966 -16.1966 -12.0859 -12.0859 -10.3125 -10.3125 -10.3048 -10.3048 -10.1178 -10.1178 -10.1173 -10.1173 -6.2061 -6.2061 -6.2052 -6.2052 -5.5085 -5.5085 -3.7397 -3.7397 -3.7389 -3.7389 -1.6123 -1.6123 -1.2537 -1.2537 -0.7304 -0.7304 -0.7197 -0.7197 -0.5084 -0.5084 0.7452 0.7452 0.7484 0.7484 1.9946 1.9946 k = 0.3299 0.7867-0.0000 ( 6410 PWs) bands (ev): -16.4618 -16.4618 -16.1830 -16.1830 -12.0876 -12.0876 -10.3148 -10.3148 -10.3059 -10.3059 -10.1160 -10.1160 -10.1154 -10.1154 -6.2035 -6.2035 -6.2026 -6.2026 -5.4832 -5.4832 -3.7588 -3.7588 -3.7580 -3.7580 -1.6236 -1.6236 -1.2275 -1.2275 -0.7464 -0.7464 -0.7358 -0.7358 -0.6149 -0.6149 0.7691 0.7691 0.7725 0.7725 2.0063 2.0063 k = 0.3379 0.8059-0.0000 ( 6422 PWs) bands (ev): -16.4739 -16.4739 -16.1697 -16.1697 -12.0893 -12.0893 -10.3172 -10.3172 -10.3071 -10.3071 -10.1141 -10.1141 -10.1134 -10.1134 -6.2008 -6.2008 -6.1997 -6.1997 -5.4557 -5.4557 -3.7792 -3.7792 -3.7783 -3.7783 -1.6340 -1.6340 -1.2036 -1.2036 -0.7632 -0.7632 -0.7522 -0.7522 -0.7189 -0.7189 0.7941 0.7941 0.7976 0.7976 2.0064 2.0064 k = 0.3379 0.8059-0.0000 ( 6422 PWs) bands (ev): -16.4739 -16.4739 -16.1697 -16.1697 -12.0893 -12.0893 -10.3172 -10.3172 -10.3071 -10.3071 -10.1141 -10.1141 -10.1134 -10.1134 -6.2008 -6.2008 -6.1997 -6.1997 -5.4557 -5.4557 -3.7792 -3.7792 -3.7783 -3.7783 -1.6340 -1.6340 -1.2036 -1.2036 -0.7632 -0.7632 -0.7522 -0.7522 -0.7189 -0.7189 0.7941 0.7941 0.7976 0.7976 2.0064 2.0064 k = 0.3348 0.7984 0.0194 ( 6407 PWs) bands (ev): -16.4692 -16.4692 -16.1748 -16.1748 -12.0886 -12.0886 -10.3163 -10.3163 -10.3066 -10.3066 -10.1148 -10.1148 -10.1142 -10.1142 -6.2020 -6.2020 -6.2009 -6.2009 -5.4664 -5.4664 -3.7711 -3.7711 -3.7702 -3.7702 -1.6302 -1.6302 -1.2128 -1.2128 -0.7565 -0.7565 -0.7457 -0.7457 -0.6790 -0.6790 0.7838 0.7838 0.7874 0.7874 2.0084 2.0084 k = 0.3316 0.7909 0.0387 ( 6397 PWs) bands (ev): -16.4645 -16.4645 -16.1800 -16.1800 -12.0879 -12.0879 -10.3154 -10.3154 -10.3061 -10.3061 -10.1156 -10.1156 -10.1149 -10.1149 -6.2036 -6.2036 -6.2021 -6.2021 -5.4762 -5.4762 -3.7631 -3.7631 -3.7622 -3.7622 -1.6265 -1.6265 -1.2231 -1.2231 -0.7499 -0.7499 -0.7392 -0.7392 -0.6384 -0.6384 0.7727 0.7727 0.7769 0.7769 2.0110 2.0110 k = 0.3285 0.7834 0.0581 ( 6391 PWs) bands (ev): -16.4597 -16.4597 -16.1852 -16.1852 -12.0873 -12.0873 -10.3145 -10.3145 -10.3056 -10.3056 -10.1163 -10.1163 -10.1156 -10.1156 -6.2058 -6.2058 -6.2030 -6.2030 -5.4851 -5.4851 -3.7552 -3.7552 -3.7544 -3.7544 -1.6229 -1.6229 -1.2343 -1.2343 -0.7435 -0.7435 -0.7326 -0.7326 -0.5976 -0.5976 0.7603 0.7603 0.7665 0.7665 2.0141 2.0141 k = 0.3254 0.7759 0.0775 ( 6393 PWs) bands (ev): -16.4549 -16.4549 -16.1906 -16.1906 -12.0867 -12.0867 -10.3137 -10.3137 -10.3051 -10.3051 -10.1169 -10.1169 -10.1163 -10.1163 -6.2085 -6.2085 -6.2036 -6.2036 -5.4930 -5.4930 -3.7476 -3.7476 -3.7468 -3.7468 -1.6196 -1.6196 -1.2463 -1.2463 -0.7371 -0.7371 -0.7260 -0.7260 -0.5565 -0.5565 0.7468 0.7468 0.7562 0.7562 2.0171 2.0171 k = 0.3222 0.7684 0.0968 ( 6384 PWs) bands (ev): -16.4500 -16.4500 -16.1959 -16.1959 -12.0861 -12.0861 -10.3129 -10.3129 -10.3047 -10.3047 -10.1176 -10.1176 -10.1169 -10.1169 -6.2118 -6.2118 -6.2041 -6.2041 -5.4999 -5.4999 -3.7401 -3.7401 -3.7393 -3.7393 -1.6163 -1.6163 -1.2589 -1.2589 -0.7310 -0.7310 -0.7194 -0.7194 -0.5154 -0.5154 0.7326 0.7326 0.7459 0.7459 2.0194 2.0194 k = 0.3191 0.7609 0.1162 ( 6376 PWs) bands (ev): -16.4450 -16.4450 -16.2013 -16.2013 -12.0855 -12.0855 -10.3122 -10.3122 -10.3042 -10.3042 -10.1182 -10.1182 -10.1174 -10.1174 -6.2156 -6.2156 -6.2045 -6.2045 -5.5057 -5.5057 -3.7329 -3.7329 -3.7321 -3.7321 -1.6133 -1.6133 -1.2720 -1.2720 -0.7249 -0.7249 -0.7127 -0.7127 -0.4744 -0.4744 0.7177 0.7177 0.7354 0.7354 2.0200 2.0200 k = 0.3159 0.7535 0.1355 ( 6370 PWs) bands (ev): -16.4400 -16.4400 -16.2067 -16.2067 -12.0850 -12.0850 -10.3114 -10.3114 -10.3038 -10.3038 -10.1188 -10.1188 -10.1179 -10.1179 -6.2198 -6.2198 -6.2047 -6.2047 -5.5106 -5.5106 -3.7259 -3.7259 -3.7252 -3.7252 -1.6104 -1.6104 -1.2855 -1.2855 -0.7191 -0.7191 -0.7061 -0.7061 -0.4335 -0.4335 0.7025 0.7025 0.7247 0.7247 2.0177 2.0177 k = 0.3128 0.7460 0.1549 ( 6367 PWs) bands (ev): -16.4349 -16.4349 -16.2122 -16.2122 -12.0845 -12.0845 -10.3107 -10.3107 -10.3034 -10.3034 -10.1194 -10.1194 -10.1184 -10.1184 -6.2245 -6.2245 -6.2047 -6.2047 -5.5145 -5.5145 -3.7191 -3.7191 -3.7185 -3.7185 -1.6076 -1.6076 -1.2993 -1.2993 -0.7134 -0.7134 -0.6995 -0.6995 -0.3928 -0.3928 0.6870 0.6870 0.7139 0.7139 2.0110 2.0110 k = 0.3097 0.7385 0.1743 ( 6371 PWs) bands (ev): -16.4299 -16.4299 -16.2177 -16.2177 -12.0840 -12.0840 -10.3101 -10.3101 -10.3030 -10.3030 -10.1200 -10.1200 -10.1188 -10.1188 -6.2296 -6.2296 -6.2047 -6.2047 -5.5176 -5.5176 -3.7127 -3.7127 -3.7120 -3.7120 -1.6050 -1.6050 -1.3132 -1.3132 -0.7079 -0.7079 -0.6931 -0.6931 -0.3524 -0.3524 0.6716 0.6716 0.7030 0.7030 1.9990 1.9990 k = 0.3065 0.7310 0.1936 ( 6370 PWs) bands (ev): -16.4247 -16.4247 -16.2232 -16.2232 -12.0835 -12.0835 -10.3095 -10.3095 -10.3026 -10.3026 -10.1206 -10.1206 -10.1191 -10.1191 -6.2350 -6.2350 -6.2045 -6.2045 -5.5197 -5.5197 -3.7065 -3.7065 -3.7059 -3.7059 -1.6025 -1.6025 -1.3273 -1.3273 -0.7025 -0.7025 -0.6869 -0.6869 -0.3125 -0.3125 0.6563 0.6563 0.6918 0.6918 1.9815 1.9815 k = 0.3034 0.7235 0.2130 ( 6376 PWs) bands (ev): -16.4195 -16.4195 -16.2288 -16.2288 -12.0831 -12.0831 -10.3089 -10.3089 -10.3023 -10.3023 -10.1211 -10.1211 -10.1195 -10.1195 -6.2407 -6.2407 -6.2042 -6.2042 -5.5211 -5.5211 -3.7007 -3.7007 -3.7000 -3.7000 -1.6001 -1.6001 -1.3414 -1.3414 -0.6973 -0.6973 -0.6810 -0.6810 -0.2731 -0.2731 0.6413 0.6413 0.6806 0.6806 1.9592 1.9592 k = 0.3002 0.7160 0.2324 ( 6379 PWs) bands (ev): -16.4143 -16.4143 -16.2344 -16.2344 -12.0827 -12.0827 -10.3083 -10.3083 -10.3019 -10.3019 -10.1217 -10.1217 -10.1198 -10.1198 -6.2467 -6.2467 -6.2038 -6.2038 -5.5218 -5.5218 -3.6952 -3.6952 -3.6945 -3.6945 -1.5977 -1.5977 -1.3554 -1.3554 -0.6922 -0.6922 -0.6753 -0.6753 -0.2343 -0.2343 0.6268 0.6268 0.6693 0.6693 1.9332 1.9332 k = 0.2971 0.7085 0.2517 ( 6381 PWs) bands (ev): -16.4090 -16.4090 -16.2401 -16.2401 -12.0823 -12.0823 -10.3077 -10.3077 -10.3016 -10.3016 -10.1222 -10.1222 -10.1200 -10.1200 -6.2527 -6.2527 -6.2033 -6.2033 -5.5218 -5.5218 -3.6900 -3.6900 -3.6893 -3.6893 -1.5953 -1.5953 -1.3693 -1.3693 -0.6873 -0.6873 -0.6700 -0.6700 -0.1963 -0.1963 0.6129 0.6129 0.6580 0.6580 1.9048 1.9048 k = 0.2940 0.7010 0.2711 ( 6383 PWs) bands (ev): -16.4037 -16.4037 -16.2457 -16.2457 -12.0819 -12.0819 -10.3072 -10.3072 -10.3013 -10.3013 -10.1227 -10.1227 -10.1203 -10.1203 -6.2588 -6.2588 -6.2028 -6.2028 -5.5214 -5.5214 -3.6851 -3.6851 -3.6844 -3.6844 -1.5930 -1.5930 -1.3831 -1.3831 -0.6825 -0.6825 -0.6649 -0.6649 -0.1592 -0.1592 0.5998 0.5998 0.6467 0.6467 1.8748 1.8748 k = 0.2908 0.6936 0.2905 ( 6379 PWs) bands (ev): -16.3983 -16.3983 -16.2514 -16.2514 -12.0816 -12.0816 -10.3067 -10.3067 -10.3011 -10.3011 -10.1231 -10.1231 -10.1205 -10.1205 -6.2649 -6.2649 -6.2022 -6.2022 -5.5204 -5.5204 -3.6806 -3.6806 -3.6798 -3.6798 -1.5906 -1.5906 -1.3966 -1.3966 -0.6780 -0.6780 -0.6603 -0.6603 -0.1232 -0.1232 0.5875 0.5875 0.6355 0.6355 1.8441 1.8441 k = 0.2877 0.6861 0.3098 ( 6377 PWs) bands (ev): -16.3929 -16.3929 -16.2570 -16.2570 -12.0812 -12.0812 -10.3062 -10.3062 -10.3009 -10.3009 -10.1236 -10.1236 -10.1207 -10.1207 -6.2709 -6.2709 -6.2016 -6.2016 -5.5192 -5.5192 -3.6765 -3.6765 -3.6755 -3.6755 -1.5881 -1.5881 -1.4098 -1.4098 -0.6736 -0.6736 -0.6560 -0.6560 -0.0884 -0.0884 0.5761 0.5761 0.6245 0.6245 1.8134 1.8134 k = 0.2845 0.6786 0.3292 ( 6375 PWs) bands (ev): -16.3875 -16.3875 -16.2627 -16.2627 -12.0809 -12.0809 -10.3057 -10.3057 -10.3007 -10.3007 -10.1240 -10.1240 -10.1209 -10.1209 -6.2767 -6.2767 -6.2009 -6.2009 -5.5176 -5.5176 -3.6727 -3.6727 -3.6716 -3.6716 -1.5855 -1.5855 -1.4227 -1.4227 -0.6695 -0.6695 -0.6521 -0.6521 -0.0550 -0.0550 0.5658 0.5658 0.6138 0.6138 1.7831 1.7831 k = 0.2814 0.6711 0.3485 ( 6377 PWs) bands (ev): -16.3820 -16.3820 -16.2684 -16.2684 -12.0807 -12.0807 -10.3053 -10.3053 -10.3005 -10.3005 -10.1243 -10.1243 -10.1210 -10.1210 -6.2822 -6.2822 -6.2002 -6.2002 -5.5159 -5.5159 -3.6692 -3.6692 -3.6680 -3.6680 -1.5827 -1.5827 -1.4352 -1.4352 -0.6656 -0.6656 -0.6486 -0.6486 -0.0233 -0.0233 0.5566 0.5566 0.6033 0.6033 1.7537 1.7537 k = 0.2783 0.6636 0.3679 ( 6375 PWs) bands (ev): -16.3765 -16.3765 -16.2742 -16.2742 -12.0804 -12.0804 -10.3048 -10.3048 -10.3004 -10.3004 -10.1247 -10.1247 -10.1212 -10.1212 -6.2874 -6.2874 -6.1996 -6.1996 -5.5141 -5.5141 -3.6661 -3.6661 -3.6647 -3.6647 -1.5796 -1.5796 -1.4474 -1.4474 -0.6620 -0.6620 -0.6456 -0.6456 0.0066 0.0066 0.5485 0.5485 0.5933 0.5933 1.7256 1.7256 k = 0.2751 0.6561 0.3873 ( 6371 PWs) bands (ev): -16.3710 -16.3710 -16.2799 -16.2799 -12.0802 -12.0802 -10.3044 -10.3044 -10.3003 -10.3003 -10.1250 -10.1250 -10.1213 -10.1213 -6.2923 -6.2923 -6.1989 -6.1989 -5.5122 -5.5122 -3.6633 -3.6633 -3.6618 -3.6618 -1.5763 -1.5763 -1.4591 -1.4591 -0.6587 -0.6587 -0.6429 -0.6429 0.0344 0.0344 0.5416 0.5416 0.5837 0.5837 1.6991 1.6991 k = 0.2720 0.6486 0.4066 ( 6373 PWs) bands (ev): -16.3654 -16.3654 -16.2856 -16.2856 -12.0800 -12.0800 -10.3040 -10.3040 -10.3003 -10.3003 -10.1253 -10.1253 -10.1214 -10.1214 -6.2967 -6.2967 -6.1984 -6.1984 -5.5104 -5.5104 -3.6608 -3.6608 -3.6592 -3.6592 -1.5726 -1.5726 -1.4703 -1.4703 -0.6557 -0.6557 -0.6406 -0.6406 0.0598 0.0598 0.5360 0.5360 0.5746 0.5746 1.6747 1.6747 k = 0.2688 0.6411 0.4260 ( 6369 PWs) bands (ev): -16.3598 -16.3598 -16.2914 -16.2914 -12.0798 -12.0798 -10.3036 -10.3036 -10.3003 -10.3003 -10.1255 -10.1255 -10.1215 -10.1215 -6.3007 -6.3007 -6.1978 -6.1978 -5.5088 -5.5088 -3.6587 -3.6587 -3.6570 -3.6570 -1.5686 -1.5686 -1.4811 -1.4811 -0.6531 -0.6531 -0.6387 -0.6387 0.0826 0.0826 0.5316 0.5316 0.5661 0.5661 1.6526 1.6526 k = 0.2657 0.6337 0.4454 ( 6367 PWs) bands (ev): -16.3542 -16.3542 -16.2971 -16.2971 -12.0797 -12.0797 -10.3032 -10.3032 -10.3003 -10.3003 -10.1258 -10.1258 -10.1216 -10.1216 -6.3041 -6.3041 -6.1973 -6.1973 -5.5072 -5.5072 -3.6569 -3.6569 -3.6551 -3.6551 -1.5642 -1.5642 -1.4913 -1.4913 -0.6508 -0.6508 -0.6372 -0.6372 0.1025 0.1025 0.5284 0.5284 0.5583 0.5583 1.6332 1.6332 k = 0.2626 0.6262 0.4647 ( 6363 PWs) bands (ev): -16.3485 -16.3485 -16.3028 -16.3028 -12.0796 -12.0796 -10.3028 -10.3028 -10.3004 -10.3004 -10.1259 -10.1259 -10.1217 -10.1217 -6.3069 -6.3069 -6.1969 -6.1969 -5.5059 -5.5059 -3.6554 -3.6554 -3.6535 -3.6535 -1.5593 -1.5593 -1.5010 -1.5010 -0.6489 -0.6489 -0.6359 -0.6359 0.1192 0.1192 0.5265 0.5265 0.5511 0.5511 1.6168 1.6168 k = 0.2594 0.6187 0.4841 ( 6355 PWs) bands (ev): -16.3428 -16.3428 -16.3086 -16.3086 -12.0795 -12.0795 -10.3024 -10.3024 -10.3006 -10.3006 -10.1261 -10.1261 -10.1217 -10.1217 -6.3092 -6.3092 -6.1966 -6.1966 -5.5049 -5.5049 -3.6543 -3.6543 -3.6523 -3.6523 -1.5539 -1.5539 -1.5102 -1.5102 -0.6474 -0.6474 -0.6351 -0.6351 0.1325 0.1325 0.5257 0.5257 0.5448 0.5448 1.6036 1.6036 k = 0.2563 0.6112 0.5034 ( 6349 PWs) bands (ev): -16.3371 -16.3371 -16.3143 -16.3143 -12.0794 -12.0794 -10.3020 -10.3020 -10.3008 -10.3008 -10.1262 -10.1262 -10.1218 -10.1218 -6.3108 -6.3108 -6.1964 -6.1964 -5.5041 -5.5041 -3.6534 -3.6534 -3.6514 -3.6514 -1.5480 -1.5480 -1.5188 -1.5188 -0.6463 -0.6463 -0.6345 -0.6345 0.1422 0.1422 0.5262 0.5262 0.5392 0.5392 1.5941 1.5941 k = 0.2531 0.6037 0.5228 ( 6346 PWs) bands (ev): -16.3315 -16.3315 -16.3200 -16.3200 -12.0794 -12.0794 -10.3017 -10.3017 -10.3010 -10.3010 -10.1263 -10.1263 -10.1218 -10.1218 -6.3118 -6.3118 -6.1962 -6.1962 -5.5036 -5.5036 -3.6530 -3.6530 -3.6509 -3.6509 -1.5416 -1.5416 -1.5269 -1.5269 -0.6457 -0.6457 -0.6341 -0.6341 0.1481 0.1481 0.5278 0.5278 0.5346 0.5346 1.5882 1.5882 k = 0.2500 0.5962 0.5422 ( 6340 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0793 -12.0793 -10.3013 -10.3013 -10.3013 -10.3013 -10.1263 -10.1263 -10.1218 -10.1218 -6.3121 -6.3121 -6.1962 -6.1962 -5.5035 -5.5035 -3.6528 -3.6528 -3.6507 -3.6507 -1.5345 -1.5345 -1.5345 -1.5345 -0.6455 -0.6455 -0.6340 -0.6340 0.1501 0.1501 0.5298 0.5298 0.5316 0.5316 1.5863 1.5863 k = 0.2500 0.5962 0.5422 ( 6340 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0793 -12.0793 -10.3013 -10.3013 -10.3013 -10.3013 -10.1263 -10.1263 -10.1218 -10.1218 -6.3121 -6.3121 -6.1962 -6.1962 -5.5035 -5.5035 -3.6528 -3.6528 -3.6507 -3.6507 -1.5345 -1.5345 -1.5345 -1.5345 -0.6455 -0.6455 -0.6340 -0.6340 0.1501 0.1501 0.5298 0.5298 0.5316 0.5316 1.5863 1.5863 k = 0.2368 0.6017 0.5279 ( 6344 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0793 -12.0793 -10.3013 -10.3013 -10.3013 -10.3013 -10.1263 -10.1263 -10.1218 -10.1218 -6.3118 -6.3118 -6.1962 -6.1962 -5.5038 -5.5038 -3.6528 -3.6528 -3.6508 -3.6508 -1.5345 -1.5345 -1.5341 -1.5341 -0.6454 -0.6454 -0.6340 -0.6340 0.1501 0.1501 0.5300 0.5300 0.5319 0.5319 1.5862 1.5862 k = 0.2237 0.6073 0.5136 ( 6352 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0793 -12.0793 -10.3013 -10.3013 -10.3013 -10.3013 -10.1263 -10.1263 -10.1219 -10.1219 -6.3110 -6.3110 -6.1965 -6.1965 -5.5048 -5.5048 -3.6528 -3.6528 -3.6508 -3.6508 -1.5344 -1.5344 -1.5329 -1.5329 -0.6454 -0.6454 -0.6339 -0.6339 0.1501 0.1501 0.5304 0.5304 0.5331 0.5331 1.5861 1.5861 k = 0.2105 0.6128 0.4994 ( 6352 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0793 -12.0793 -10.3014 -10.3014 -10.3013 -10.3013 -10.1262 -10.1262 -10.1219 -10.1219 -6.3096 -6.3096 -6.1968 -6.1968 -5.5065 -5.5065 -3.6528 -3.6528 -3.6508 -3.6508 -1.5343 -1.5343 -1.5308 -1.5308 -0.6452 -0.6452 -0.6338 -0.6338 0.1502 0.1502 0.5306 0.5306 0.5355 0.5355 1.5860 1.5860 k = 0.1974 0.6183 0.4851 ( 6354 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0793 -12.0793 -10.3014 -10.3014 -10.3013 -10.3013 -10.1262 -10.1262 -10.1220 -10.1220 -6.3077 -6.3077 -6.1973 -6.1973 -5.5089 -5.5089 -3.6527 -3.6527 -3.6508 -3.6508 -1.5342 -1.5342 -1.5281 -1.5281 -0.6451 -0.6451 -0.6336 -0.6336 0.1502 0.1502 0.5307 0.5307 0.5391 0.5391 1.5858 1.5858 k = 0.1842 0.6238 0.4708 ( 6356 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0793 -12.0793 -10.3014 -10.3014 -10.3013 -10.3013 -10.1262 -10.1262 -10.1221 -10.1221 -6.3053 -6.3053 -6.1980 -6.1980 -5.5117 -5.5117 -3.6527 -3.6527 -3.6508 -3.6508 -1.5340 -1.5340 -1.5247 -1.5247 -0.6449 -0.6449 -0.6334 -0.6334 0.1503 0.1503 0.5308 0.5308 0.5435 0.5435 1.5855 1.5855 k = 0.1711 0.6293 0.4566 ( 6368 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0793 -12.0793 -10.3014 -10.3014 -10.3013 -10.3013 -10.1261 -10.1261 -10.1222 -10.1222 -6.3024 -6.3024 -6.1988 -6.1988 -5.5151 -5.5151 -3.6527 -3.6527 -3.6509 -3.6509 -1.5338 -1.5338 -1.5207 -1.5207 -0.6447 -0.6447 -0.6332 -0.6332 0.1503 0.1503 0.5309 0.5309 0.5488 0.5488 1.5852 1.5852 k = 0.1579 0.6348 0.4423 ( 6376 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0792 -12.0792 -10.3014 -10.3014 -10.3012 -10.3012 -10.1261 -10.1261 -10.1223 -10.1223 -6.2992 -6.2992 -6.1997 -6.1997 -5.5189 -5.5189 -3.6526 -3.6526 -3.6509 -3.6509 -1.5336 -1.5336 -1.5162 -1.5162 -0.6444 -0.6444 -0.6329 -0.6329 0.1504 0.1504 0.5310 0.5310 0.5549 0.5549 1.5849 1.5849 k = 0.1447 0.6404 0.4280 ( 6378 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0792 -12.0792 -10.3015 -10.3015 -10.3012 -10.3012 -10.1260 -10.1260 -10.1225 -10.1225 -6.2955 -6.2955 -6.2008 -6.2008 -5.5229 -5.5229 -3.6526 -3.6526 -3.6510 -3.6510 -1.5333 -1.5333 -1.5114 -1.5114 -0.6441 -0.6441 -0.6326 -0.6326 0.1505 0.1505 0.5310 0.5310 0.5616 0.5616 1.5845 1.5845 k = 0.1316 0.6459 0.4138 ( 6376 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0792 -12.0792 -10.3015 -10.3015 -10.3012 -10.3012 -10.1260 -10.1260 -10.1226 -10.1226 -6.2916 -6.2916 -6.2021 -6.2021 -5.5272 -5.5272 -3.6525 -3.6525 -3.6510 -3.6510 -1.5331 -1.5331 -1.5064 -1.5064 -0.6439 -0.6439 -0.6322 -0.6322 0.1506 0.1506 0.5311 0.5311 0.5687 0.5687 1.5841 1.5841 k = 0.1184 0.6514 0.3995 ( 6380 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0792 -12.0792 -10.3015 -10.3015 -10.3012 -10.3012 -10.1259 -10.1259 -10.1228 -10.1228 -6.2875 -6.2875 -6.2035 -6.2035 -5.5315 -5.5315 -3.6525 -3.6525 -3.6511 -3.6511 -1.5328 -1.5328 -1.5014 -1.5014 -0.6436 -0.6436 -0.6319 -0.6319 0.1507 0.1507 0.5312 0.5312 0.5761 0.5761 1.5838 1.5838 k = 0.1053 0.6569 0.3852 ( 6386 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0791 -12.0791 -10.3016 -10.3016 -10.3011 -10.3011 -10.1258 -10.1258 -10.1230 -10.1230 -6.2833 -6.2833 -6.2051 -6.2051 -5.5359 -5.5359 -3.6524 -3.6524 -3.6511 -3.6511 -1.5325 -1.5325 -1.4964 -1.4964 -0.6433 -0.6433 -0.6315 -0.6315 0.1508 0.1508 0.5313 0.5313 0.5837 0.5837 1.5834 1.5834 k = 0.0921 0.6624 0.3710 ( 6384 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0791 -12.0791 -10.3016 -10.3016 -10.3011 -10.3011 -10.1257 -10.1257 -10.1231 -10.1231 -6.2790 -6.2790 -6.2068 -6.2068 -5.5400 -5.5400 -3.6523 -3.6523 -3.6512 -3.6512 -1.5323 -1.5323 -1.4916 -1.4916 -0.6430 -0.6430 -0.6312 -0.6312 0.1509 0.1509 0.5314 0.5314 0.5911 0.5911 1.5830 1.5830 k = 0.0789 0.6679 0.3567 ( 6378 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0791 -12.0791 -10.3016 -10.3016 -10.3011 -10.3011 -10.1256 -10.1256 -10.1233 -10.1233 -6.2747 -6.2747 -6.2086 -6.2086 -5.5439 -5.5439 -3.6522 -3.6522 -3.6513 -3.6513 -1.5320 -1.5320 -1.4871 -1.4871 -0.6428 -0.6428 -0.6308 -0.6308 0.1510 0.1510 0.5315 0.5315 0.5982 0.5982 1.5827 1.5827 k = 0.0658 0.6735 0.3424 ( 6380 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0791 -12.0791 -10.3016 -10.3016 -10.3010 -10.3010 -10.1255 -10.1255 -10.1235 -10.1235 -6.2707 -6.2707 -6.2105 -6.2105 -5.5474 -5.5474 -3.6522 -3.6522 -3.6513 -3.6513 -1.5318 -1.5318 -1.4831 -1.4831 -0.6426 -0.6426 -0.6306 -0.6306 0.1511 0.1511 0.5315 0.5315 0.6047 0.6047 1.5824 1.5824 k = 0.0526 0.6790 0.3282 ( 6382 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0790 -12.0790 -10.3016 -10.3016 -10.3010 -10.3010 -10.1254 -10.1254 -10.1236 -10.1236 -6.2669 -6.2669 -6.2123 -6.2123 -5.5504 -5.5504 -3.6521 -3.6521 -3.6514 -3.6514 -1.5317 -1.5317 -1.4797 -1.4797 -0.6424 -0.6424 -0.6303 -0.6303 0.1511 0.1511 0.5316 0.5316 0.6104 0.6104 1.5821 1.5821 k = 0.0395 0.6845 0.3139 ( 6386 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0790 -12.0790 -10.3017 -10.3017 -10.3010 -10.3010 -10.1253 -10.1253 -10.1238 -10.1238 -6.2637 -6.2637 -6.2140 -6.2140 -5.5528 -5.5528 -3.6520 -3.6520 -3.6515 -3.6515 -1.5315 -1.5315 -1.4769 -1.4769 -0.6423 -0.6423 -0.6301 -0.6301 0.1512 0.1512 0.5316 0.5316 0.6151 0.6151 1.5819 1.5819 k = 0.0263 0.6900 0.2996 ( 6392 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0790 -12.0790 -10.3017 -10.3017 -10.3010 -10.3010 -10.1252 -10.1252 -10.1239 -10.1239 -6.2612 -6.2612 -6.2154 -6.2154 -5.5546 -5.5546 -3.6519 -3.6519 -3.6516 -3.6516 -1.5314 -1.5314 -1.4749 -1.4749 -0.6422 -0.6422 -0.6300 -0.6300 0.1512 0.1512 0.5317 0.5317 0.6186 0.6186 1.5818 1.5818 k = 0.0132 0.6955 0.2854 ( 6384 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0790 -12.0790 -10.3017 -10.3017 -10.3010 -10.3010 -10.1251 -10.1251 -10.1240 -10.1240 -6.2595 -6.2595 -6.2163 -6.2163 -5.5557 -5.5557 -3.6518 -3.6518 -3.6517 -3.6517 -1.5313 -1.5313 -1.4736 -1.4736 -0.6421 -0.6421 -0.6299 -0.6299 0.1512 0.1512 0.5317 0.5317 0.6208 0.6208 1.5817 1.5817 k = 0.0000 0.7010 0.2711 ( 6388 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0790 -12.0790 -10.3017 -10.3017 -10.3010 -10.3010 -10.1251 -10.1251 -10.1240 -10.1240 -6.2589 -6.2589 -6.2167 -6.2167 -5.5561 -5.5561 -3.6518 -3.6518 -3.6517 -3.6517 -1.5313 -1.5313 -1.4732 -1.4732 -0.6421 -0.6421 -0.6298 -0.6298 0.1512 0.1512 0.5317 0.5317 0.6215 0.6215 1.5816 1.5816 k = 0.0000 0.7010 0.2711 ( 6388 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0790 -12.0790 -10.3017 -10.3017 -10.3010 -10.3010 -10.1251 -10.1251 -10.1240 -10.1240 -6.2589 -6.2589 -6.2167 -6.2167 -5.5561 -5.5561 -3.6518 -3.6518 -3.6517 -3.6517 -1.5313 -1.5313 -1.4732 -1.4732 -0.6421 -0.6421 -0.6298 -0.6298 0.1512 0.1512 0.5317 0.5317 0.6215 0.6215 1.5816 1.5816 k =-0.0154 0.6963 0.2834 ( 6391 PWs) bands (ev): -16.3331 -16.3331 -16.3185 -16.3185 -12.0790 -12.0790 -10.3018 -10.3018 -10.3010 -10.3010 -10.1251 -10.1251 -10.1240 -10.1240 -6.2587 -6.2587 -6.2166 -6.2166 -5.5561 -5.5561 -3.6521 -3.6521 -3.6520 -3.6520 -1.5324 -1.5324 -1.4716 -1.4716 -0.6424 -0.6424 -0.6302 -0.6302 0.1481 0.1481 0.5326 0.5326 0.6219 0.6219 1.5846 1.5846 k =-0.0307 0.6915 0.2957 ( 6387 PWs) bands (ev): -16.3403 -16.3403 -16.3112 -16.3112 -12.0791 -12.0791 -10.3020 -10.3020 -10.3009 -10.3009 -10.1250 -10.1250 -10.1240 -10.1240 -6.2579 -6.2579 -6.2165 -6.2165 -5.5561 -5.5561 -3.6529 -3.6529 -3.6528 -3.6528 -1.5353 -1.5353 -1.4670 -1.4670 -0.6434 -0.6434 -0.6312 -0.6312 0.1388 0.1388 0.5352 0.5352 0.6233 0.6233 1.5932 1.5932 k =-0.0461 0.6868 0.3081 ( 6394 PWs) bands (ev): -16.3475 -16.3475 -16.3040 -16.3040 -12.0792 -12.0792 -10.3022 -10.3022 -10.3009 -10.3009 -10.1249 -10.1249 -10.1239 -10.1239 -6.2565 -6.2565 -6.2163 -6.2163 -5.5561 -5.5561 -3.6543 -3.6543 -3.6541 -3.6541 -1.5395 -1.5395 -1.4600 -1.4600 -0.6451 -0.6451 -0.6330 -0.6330 0.1235 0.1235 0.5395 0.5395 0.6256 0.6256 1.6073 1.6073 k =-0.0614 0.6820 0.3204 ( 6394 PWs) bands (ev): -16.3547 -16.3547 -16.2967 -16.2967 -12.0794 -12.0794 -10.3026 -10.3026 -10.3008 -10.3008 -10.1247 -10.1247 -10.1237 -10.1237 -6.2547 -6.2547 -6.2161 -6.2161 -5.5560 -5.5560 -3.6563 -3.6563 -3.6560 -3.6560 -1.5443 -1.5443 -1.4514 -1.4514 -0.6475 -0.6475 -0.6354 -0.6354 0.1027 0.1027 0.5454 0.5454 0.6288 0.6288 1.6265 1.6265 k =-0.0768 0.6772 0.3327 ( 6394 PWs) bands (ev): -16.3618 -16.3618 -16.2894 -16.2894 -12.0796 -12.0796 -10.3030 -10.3030 -10.3009 -10.3009 -10.1245 -10.1245 -10.1236 -10.1236 -6.2524 -6.2524 -6.2158 -6.2158 -5.5559 -5.5559 -3.6589 -3.6589 -3.6584 -3.6584 -1.5495 -1.5495 -1.4414 -1.4414 -0.6504 -0.6504 -0.6384 -0.6384 0.0768 0.0768 0.5530 0.5530 0.6328 0.6328 1.6503 1.6503 k =-0.0922 0.6725 0.3450 ( 6385 PWs) bands (ev): -16.3689 -16.3689 -16.2820 -16.2820 -12.0798 -12.0798 -10.3034 -10.3034 -10.3009 -10.3009 -10.1243 -10.1243 -10.1233 -10.1233 -6.2497 -6.2497 -6.2154 -6.2154 -5.5555 -5.5555 -3.6621 -3.6621 -3.6614 -3.6614 -1.5547 -1.5547 -1.4303 -1.4303 -0.6540 -0.6540 -0.6420 -0.6420 0.0463 0.0463 0.5620 0.5620 0.6377 0.6377 1.6780 1.6780 k =-0.1075 0.6677 0.3573 ( 6387 PWs) bands (ev): -16.3760 -16.3760 -16.2747 -16.2747 -12.0801 -12.0801 -10.3039 -10.3039 -10.3010 -10.3010 -10.1240 -10.1240 -10.1231 -10.1231 -6.2466 -6.2466 -6.2150 -6.2150 -5.5549 -5.5549 -3.6658 -3.6658 -3.6649 -3.6649 -1.5599 -1.5599 -1.4183 -1.4183 -0.6581 -0.6581 -0.6463 -0.6463 0.0119 0.0119 0.5723 0.5723 0.6434 0.6434 1.7090 1.7090 k =-0.1229 0.6629 0.3697 ( 6387 PWs) bands (ev): -16.3830 -16.3830 -16.2675 -16.2675 -12.0804 -12.0804 -10.3045 -10.3045 -10.3012 -10.3012 -10.1236 -10.1236 -10.1228 -10.1228 -6.2432 -6.2432 -6.2145 -6.2145 -5.5539 -5.5539 -3.6700 -3.6700 -3.6689 -3.6689 -1.5651 -1.5651 -1.4056 -1.4056 -0.6628 -0.6628 -0.6510 -0.6510 -0.0261 -0.0261 0.5840 0.5840 0.6499 0.6499 1.7426 1.7426 k =-0.1382 0.6582 0.3820 ( 6381 PWs) bands (ev): -16.3899 -16.3899 -16.2602 -16.2602 -12.0808 -12.0808 -10.3051 -10.3051 -10.3014 -10.3014 -10.1232 -10.1232 -10.1224 -10.1224 -6.2396 -6.2396 -6.2139 -6.2139 -5.5525 -5.5525 -3.6748 -3.6748 -3.6735 -3.6735 -1.5702 -1.5702 -1.3922 -1.3922 -0.6679 -0.6679 -0.6563 -0.6563 -0.0671 -0.0671 0.5968 0.5968 0.6570 0.6570 1.7781 1.7781 k =-0.1536 0.6534 0.3943 ( 6381 PWs) bands (ev): -16.3968 -16.3968 -16.2529 -16.2529 -12.0812 -12.0812 -10.3058 -10.3058 -10.3016 -10.3016 -10.1228 -10.1228 -10.1221 -10.1221 -6.2359 -6.2359 -6.2132 -6.2132 -5.5505 -5.5505 -3.6801 -3.6801 -3.6787 -3.6787 -1.5752 -1.5752 -1.3782 -1.3782 -0.6735 -0.6735 -0.6620 -0.6620 -0.1106 -0.1106 0.6106 0.6106 0.6649 0.6649 1.8146 1.8146 k =-0.1690 0.6486 0.4066 ( 6384 PWs) bands (ev): -16.4037 -16.4037 -16.2457 -16.2457 -12.0817 -12.0817 -10.3064 -10.3064 -10.3019 -10.3019 -10.1223 -10.1223 -10.1216 -10.1216 -6.2320 -6.2320 -6.2125 -6.2125 -5.5479 -5.5479 -3.6859 -3.6859 -3.6844 -3.6844 -1.5801 -1.5801 -1.3637 -1.3637 -0.6795 -0.6795 -0.6682 -0.6682 -0.1563 -0.1563 0.6252 0.6252 0.6734 0.6734 1.8512 1.8512 k =-0.1843 0.6439 0.4190 ( 6380 PWs) bands (ev): -16.4104 -16.4104 -16.2386 -16.2386 -12.0822 -12.0822 -10.3072 -10.3072 -10.3022 -10.3022 -10.1218 -10.1218 -10.1211 -10.1211 -6.2282 -6.2282 -6.2117 -6.2117 -5.5446 -5.5446 -3.6922 -3.6922 -3.6907 -3.6907 -1.5850 -1.5850 -1.3488 -1.3488 -0.6859 -0.6859 -0.6747 -0.6747 -0.2038 -0.2038 0.6406 0.6406 0.6825 0.6825 1.8867 1.8867 k =-0.1997 0.6391 0.4313 ( 6380 PWs) bands (ev): -16.4171 -16.4171 -16.2314 -16.2314 -12.0827 -12.0827 -10.3080 -10.3080 -10.3025 -10.3025 -10.1212 -10.1212 -10.1206 -10.1206 -6.2244 -6.2244 -6.2109 -6.2109 -5.5404 -5.5404 -3.6990 -3.6990 -3.6975 -3.6975 -1.5899 -1.5899 -1.3336 -1.3336 -0.6927 -0.6927 -0.6816 -0.6816 -0.2528 -0.2528 0.6566 0.6566 0.6921 0.6921 1.9198 1.9198 k =-0.2150 0.6343 0.4436 ( 6372 PWs) bands (ev): -16.4237 -16.4237 -16.2243 -16.2243 -12.0833 -12.0833 -10.3088 -10.3088 -10.3029 -10.3029 -10.1206 -10.1206 -10.1200 -10.1200 -6.2207 -6.2207 -6.2099 -6.2099 -5.5353 -5.5353 -3.7063 -3.7063 -3.7049 -3.7049 -1.5948 -1.5948 -1.3182 -1.3182 -0.6997 -0.6997 -0.6887 -0.6887 -0.3029 -0.3029 0.6729 0.6729 0.7023 0.7023 1.9489 1.9489 k =-0.2304 0.6296 0.4559 ( 6374 PWs) bands (ev): -16.4303 -16.4303 -16.2172 -16.2172 -12.0839 -12.0839 -10.3097 -10.3097 -10.3033 -10.3033 -10.1199 -10.1199 -10.1194 -10.1194 -6.2172 -6.2172 -6.2089 -6.2089 -5.5291 -5.5291 -3.7140 -3.7140 -3.7127 -3.7127 -1.5996 -1.5996 -1.3026 -1.3026 -0.7070 -0.7070 -0.6961 -0.6961 -0.3540 -0.3540 0.6894 0.6894 0.7129 0.7129 1.9725 1.9725 k =-0.2458 0.6248 0.4682 ( 6376 PWs) bands (ev): -16.4368 -16.4368 -16.2102 -16.2102 -12.0846 -12.0846 -10.3107 -10.3107 -10.3037 -10.3037 -10.1192 -10.1192 -10.1187 -10.1187 -6.2139 -6.2139 -6.2079 -6.2079 -5.5220 -5.5220 -3.7222 -3.7222 -3.7210 -3.7210 -1.6045 -1.6045 -1.2871 -1.2871 -0.7146 -0.7146 -0.7038 -0.7038 -0.4059 -0.4059 0.7059 0.7059 0.7239 0.7239 1.9897 1.9897 k =-0.2611 0.6200 0.4806 ( 6378 PWs) bands (ev): -16.4432 -16.4432 -16.2033 -16.2033 -12.0853 -12.0853 -10.3116 -10.3116 -10.3042 -10.3042 -10.1185 -10.1185 -10.1179 -10.1179 -6.2109 -6.2109 -6.2067 -6.2067 -5.5137 -5.5137 -3.7308 -3.7308 -3.7297 -3.7297 -1.6094 -1.6094 -1.2718 -1.2718 -0.7223 -0.7223 -0.7116 -0.7116 -0.4582 -0.4582 0.7222 0.7222 0.7353 0.7353 2.0009 2.0009 k =-0.2765 0.6153 0.4929 ( 6376 PWs) bands (ev): -16.4495 -16.4495 -16.1964 -16.1964 -12.0860 -12.0860 -10.3127 -10.3127 -10.3047 -10.3047 -10.1177 -10.1177 -10.1171 -10.1171 -6.2082 -6.2082 -6.2055 -6.2055 -5.5043 -5.5043 -3.7398 -3.7398 -3.7388 -3.7388 -1.6142 -1.6142 -1.2567 -1.2567 -0.7302 -0.7302 -0.7195 -0.7195 -0.5108 -0.5108 0.7381 0.7381 0.7471 0.7471 2.0069 2.0069 k =-0.2918 0.6105 0.5052 ( 6390 PWs) bands (ev): -16.4557 -16.4557 -16.1896 -16.1896 -12.0868 -12.0868 -10.3138 -10.3138 -10.3053 -10.3053 -10.1168 -10.1168 -10.1163 -10.1163 -6.2059 -6.2059 -6.2042 -6.2042 -5.4937 -5.4937 -3.7491 -3.7491 -3.7483 -3.7483 -1.6192 -1.6192 -1.2421 -1.2421 -0.7383 -0.7383 -0.7276 -0.7276 -0.5634 -0.5634 0.7534 0.7534 0.7592 0.7592 2.0094 2.0094 k =-0.3072 0.6058 0.5175 ( 6398 PWs) bands (ev): -16.4619 -16.4619 -16.1829 -16.1829 -12.0876 -12.0876 -10.3149 -10.3149 -10.3058 -10.3058 -10.1160 -10.1160 -10.1153 -10.1153 -6.2039 -6.2039 -6.2028 -6.2028 -5.4821 -5.4821 -3.7589 -3.7589 -3.7580 -3.7580 -1.6241 -1.6241 -1.2282 -1.2282 -0.7464 -0.7464 -0.7358 -0.7358 -0.6159 -0.6159 0.7678 0.7678 0.7718 0.7718 2.0095 2.0095 k =-0.3226 0.6010 0.5299 ( 6405 PWs) bands (ev): -16.4679 -16.4679 -16.1762 -16.1762 -12.0884 -12.0884 -10.3160 -10.3160 -10.3064 -10.3064 -10.1150 -10.1150 -10.1144 -10.1144 -6.2023 -6.2023 -6.2012 -6.2012 -5.4694 -5.4694 -3.7689 -3.7689 -3.7680 -3.7680 -1.6290 -1.6290 -1.2153 -1.2153 -0.7547 -0.7547 -0.7440 -0.7440 -0.6679 -0.6679 0.7813 0.7813 0.7848 0.7848 2.0083 2.0083 k =-0.3379 0.5962 0.5422 ( 6422 PWs) bands (ev): -16.4739 -16.4739 -16.1697 -16.1697 -12.0893 -12.0893 -10.3172 -10.3172 -10.3071 -10.3071 -10.1141 -10.1141 -10.1134 -10.1134 -6.2008 -6.2008 -6.1997 -6.1997 -5.4557 -5.4557 -3.7792 -3.7792 -3.7783 -3.7783 -1.6340 -1.6340 -1.2036 -1.2036 -0.7632 -0.7632 -0.7522 -0.7522 -0.7189 -0.7189 0.7941 0.7941 0.7976 0.7976 2.0064 2.0064 k =-0.3379 0.5962 0.5422 ( 6422 PWs) bands (ev): -16.4739 -16.4739 -16.1697 -16.1697 -12.0893 -12.0893 -10.3172 -10.3172 -10.3071 -10.3071 -10.1141 -10.1141 -10.1134 -10.1134 -6.2008 -6.2008 -6.1997 -6.1997 -5.4557 -5.4557 -3.7792 -3.7792 -3.7783 -3.7783 -1.6340 -1.6340 -1.2036 -1.2036 -0.7632 -0.7632 -0.7522 -0.7522 -0.7189 -0.7189 0.7941 0.7941 0.7976 0.7976 2.0064 2.0064 k =-0.3460 0.5769 0.5422 ( 6430 PWs) bands (ev): -16.4856 -16.4856 -16.1566 -16.1566 -12.0911 -12.0911 -10.3197 -10.3197 -10.3084 -10.3084 -10.1120 -10.1120 -10.1112 -10.1112 -6.1978 -6.1978 -6.1966 -6.1966 -5.4258 -5.4258 -3.8008 -3.8008 -3.7998 -3.7998 -1.6435 -1.6435 -1.1851 -1.1851 -0.8196 -0.8196 -0.7781 -0.7781 -0.7688 -0.7688 0.8200 0.8200 0.8237 0.8237 1.9993 1.9993 k =-0.3541 0.5576 0.5422 ( 6406 PWs) bands (ev): -16.4968 -16.4968 -16.1437 -16.1437 -12.0930 -12.0930 -10.3223 -10.3223 -10.3098 -10.3098 -10.1098 -10.1098 -10.1090 -10.1090 -6.1946 -6.1946 -6.1934 -6.1934 -5.3939 -5.3939 -3.8231 -3.8231 -3.8221 -3.8221 -1.6521 -1.6521 -1.1799 -1.1799 -0.9038 -0.9038 -0.7951 -0.7951 -0.7853 -0.7853 0.8464 0.8464 0.8503 0.8503 1.9874 1.9874 k =-0.3622 0.5382 0.5422 ( 6430 PWs) bands (ev): -16.5077 -16.5077 -16.1315 -16.1315 -12.0950 -12.0950 -10.3248 -10.3248 -10.3114 -10.3114 -10.1075 -10.1075 -10.1067 -10.1067 -6.1913 -6.1913 -6.1900 -6.1900 -5.3602 -5.3602 -3.8461 -3.8461 -3.8450 -3.8450 -1.6599 -1.6599 -1.2038 -1.2038 -0.9578 -0.9578 -0.8114 -0.8114 -0.8017 -0.8017 0.8730 0.8730 0.8770 0.8770 1.9723 1.9723 k =-0.3703 0.5189 0.5422 ( 6402 PWs) bands (ev): -16.5180 -16.5180 -16.1196 -16.1196 -12.0970 -12.0970 -10.3274 -10.3274 -10.3130 -10.3130 -10.1052 -10.1052 -10.1043 -10.1043 -6.1878 -6.1878 -6.1864 -6.1864 -5.3250 -5.3250 -3.8694 -3.8694 -3.8682 -3.8682 -1.6669 -1.6669 -1.2649 -1.2649 -0.9727 -0.9727 -0.8273 -0.8273 -0.8176 -0.8176 0.8995 0.8995 0.9037 0.9037 1.9551 1.9551 k =-0.3784 0.4996 0.5422 ( 6402 PWs) bands (ev): -16.5278 -16.5278 -16.1083 -16.1083 -12.0990 -12.0990 -10.3299 -10.3299 -10.3146 -10.3146 -10.1029 -10.1029 -10.1019 -10.1019 -6.1842 -6.1842 -6.1827 -6.1827 -5.2884 -5.2884 -3.8927 -3.8927 -3.8916 -3.8916 -1.6732 -1.6732 -1.3487 -1.3487 -0.9628 -0.9628 -0.8427 -0.8427 -0.8331 -0.8331 0.9257 0.9257 0.9300 0.9300 1.9362 1.9362 k =-0.3865 0.4803 0.5422 ( 6402 PWs) bands (ev): -16.5370 -16.5370 -16.0975 -16.0975 -12.1010 -12.1010 -10.3324 -10.3324 -10.3163 -10.3163 -10.1005 -10.1005 -10.0995 -10.0995 -6.1806 -6.1806 -6.1790 -6.1790 -5.2509 -5.2509 -3.9159 -3.9159 -3.9148 -3.9148 -1.6787 -1.6787 -1.4407 -1.4407 -0.9422 -0.9422 -0.8575 -0.8575 -0.8481 -0.8481 0.9513 0.9513 0.9558 0.9558 1.9162 1.9162 k =-0.3946 0.4609 0.5422 ( 6370 PWs) bands (ev): -16.5457 -16.5457 -16.0873 -16.0873 -12.1029 -12.1029 -10.3348 -10.3348 -10.3180 -10.3180 -10.0982 -10.0982 -10.0972 -10.0972 -6.1770 -6.1770 -6.1753 -6.1753 -5.2126 -5.2126 -3.9387 -3.9387 -3.9375 -3.9375 -1.6836 -1.6836 -1.5341 -1.5341 -0.9175 -0.9175 -0.8716 -0.8716 -0.8622 -0.8622 0.9761 0.9761 0.9807 0.9807 1.8956 1.8956 k =-0.4027 0.4416 0.5422 ( 6362 PWs) bands (ev): -16.5538 -16.5538 -16.0777 -16.0777 -12.1049 -12.1049 -10.3371 -10.3371 -10.3197 -10.3197 -10.0959 -10.0959 -10.0949 -10.0949 -6.1733 -6.1733 -6.1716 -6.1716 -5.1739 -5.1739 -3.9610 -3.9610 -3.9597 -3.9597 -1.6880 -1.6880 -1.6262 -1.6262 -0.8911 -0.8911 -0.8849 -0.8849 -0.8756 -0.8756 1.0000 1.0000 1.0047 1.0047 1.8747 1.8747 k =-0.4109 0.4223 0.5422 ( 6362 PWs) bands (ev): -16.5613 -16.5613 -16.0687 -16.0687 -12.1067 -12.1067 -10.3394 -10.3394 -10.3214 -10.3214 -10.0937 -10.0937 -10.0926 -10.0926 -6.1698 -6.1698 -6.1680 -6.1680 -5.1353 -5.1353 -3.9823 -3.9823 -3.9811 -3.9811 -1.7153 -1.7153 -1.6918 -1.6918 -0.8975 -0.8975 -0.8882 -0.8882 -0.8644 -0.8644 1.0226 1.0226 1.0274 1.0274 1.8538 1.8538 k =-0.4190 0.4029 0.5422 ( 6370 PWs) bands (ev): -16.5683 -16.5683 -16.0605 -16.0605 -12.1084 -12.1084 -10.3415 -10.3415 -10.3230 -10.3230 -10.0917 -10.0917 -10.0905 -10.0905 -6.1663 -6.1663 -6.1645 -6.1645 -5.0972 -5.0972 -4.0026 -4.0026 -4.0014 -4.0014 -1.8004 -1.8004 -1.6951 -1.6951 -0.9091 -0.9091 -0.8999 -0.8999 -0.8383 -0.8383 1.0439 1.0439 1.0488 1.0488 1.8334 1.8334 k =-0.4271 0.3836 0.5422 ( 6362 PWs) bands (ev): -16.5746 -16.5746 -16.0529 -16.0529 -12.1101 -12.1101 -10.3435 -10.3435 -10.3245 -10.3245 -10.0897 -10.0897 -10.0885 -10.0885 -6.1630 -6.1630 -6.1611 -6.1611 -5.0601 -5.0601 -4.0217 -4.0217 -4.0204 -4.0204 -1.8805 -1.8805 -1.6979 -1.6979 -0.9197 -0.9197 -0.9106 -0.9106 -0.8132 -0.8132 1.0637 1.0637 1.0687 1.0687 1.8137 1.8137 k =-0.4352 0.3643 0.5422 ( 6370 PWs) bands (ev): -16.5803 -16.5803 -16.0460 -16.0460 -12.1116 -12.1116 -10.3453 -10.3453 -10.3259 -10.3259 -10.0879 -10.0879 -10.0866 -10.0866 -6.1599 -6.1599 -6.1579 -6.1579 -5.0246 -5.0246 -4.0393 -4.0393 -4.0380 -4.0380 -1.9549 -1.9549 -1.7004 -1.7004 -0.9294 -0.9294 -0.9203 -0.9203 -0.7896 -0.7896 1.0818 1.0818 1.0869 1.0869 1.7950 1.7950 k =-0.4433 0.3450 0.5422 ( 6358 PWs) bands (ev): -16.5853 -16.5853 -16.0399 -16.0399 -12.1130 -12.1130 -10.3469 -10.3469 -10.3272 -10.3272 -10.0862 -10.0862 -10.0849 -10.0849 -6.1570 -6.1570 -6.1550 -6.1550 -4.9911 -4.9911 -4.0552 -4.0552 -4.0539 -4.0539 -2.0229 -2.0229 -1.7024 -1.7024 -0.9379 -0.9379 -0.9289 -0.9289 -0.7679 -0.7679 1.0980 1.0980 1.1032 1.1032 1.7777 1.7777 k =-0.4514 0.3256 0.5422 ( 6358 PWs) bands (ev): -16.5897 -16.5897 -16.0345 -16.0345 -12.1142 -12.1142 -10.3484 -10.3484 -10.3284 -10.3284 -10.0847 -10.0847 -10.0834 -10.0834 -6.1544 -6.1544 -6.1524 -6.1524 -4.9603 -4.9603 -4.0694 -4.0694 -4.0681 -4.0681 -2.0837 -2.0837 -1.7041 -1.7041 -0.9454 -0.9454 -0.9364 -0.9364 -0.7483 -0.7483 1.1124 1.1124 1.1176 1.1176 1.7620 1.7620 k =-0.4595 0.3063 0.5422 ( 6350 PWs) bands (ev): -16.5934 -16.5934 -16.0299 -16.0299 -12.1152 -12.1152 -10.3496 -10.3496 -10.3294 -10.3294 -10.0834 -10.0834 -10.0821 -10.0821 -6.1522 -6.1522 -6.1501 -6.1501 -4.9329 -4.9329 -4.0817 -4.0817 -4.0804 -4.0804 -2.1367 -2.1367 -1.7055 -1.7055 -0.9518 -0.9518 -0.9428 -0.9428 -0.7313 -0.7313 1.1247 1.1247 1.1300 1.1300 1.7482 1.7482 k =-0.4676 0.2870 0.5422 ( 6346 PWs) bands (ev): -16.5964 -16.5964 -16.0262 -16.0262 -12.1161 -12.1161 -10.3506 -10.3506 -10.3302 -10.3302 -10.0823 -10.0823 -10.0810 -10.0810 -6.1503 -6.1503 -6.1481 -6.1481 -4.9094 -4.9094 -4.0919 -4.0919 -4.0905 -4.0905 -2.1811 -2.1811 -1.7066 -1.7066 -0.9571 -0.9571 -0.9481 -0.9481 -0.7170 -0.7170 1.1349 1.1349 1.1403 1.1403 1.7366 1.7366 k =-0.4757 0.2676 0.5422 ( 6358 PWs) bands (ev): -16.5988 -16.5988 -16.0233 -16.0233 -12.1168 -12.1168 -10.3515 -10.3515 -10.3309 -10.3309 -10.0815 -10.0815 -10.0802 -10.0802 -6.1487 -6.1487 -6.1466 -6.1466 -4.8905 -4.8905 -4.0999 -4.0999 -4.0986 -4.0986 -2.2165 -2.2165 -1.7075 -1.7075 -0.9612 -0.9612 -0.9522 -0.9522 -0.7056 -0.7056 1.1429 1.1429 1.1483 1.1483 1.7273 1.7273 k =-0.4838 0.2483 0.5422 ( 6342 PWs) bands (ev): -16.6005 -16.6005 -16.0212 -16.0212 -12.1173 -12.1173 -10.3520 -10.3520 -10.3314 -10.3314 -10.0809 -10.0809 -10.0796 -10.0796 -6.1476 -6.1476 -6.1455 -6.1455 -4.8766 -4.8766 -4.1057 -4.1057 -4.1044 -4.1044 -2.2421 -2.2421 -1.7081 -1.7081 -0.9641 -0.9641 -0.9552 -0.9552 -0.6973 -0.6973 1.1487 1.1487 1.1541 1.1541 1.7205 1.7205 k =-0.4919 0.2290 0.5422 ( 6342 PWs) bands (ev): -16.6015 -16.6015 -16.0199 -16.0199 -12.1176 -12.1176 -10.3524 -10.3524 -10.3317 -10.3317 -10.0805 -10.0805 -10.0792 -10.0792 -6.1470 -6.1470 -6.1448 -6.1448 -4.8681 -4.8681 -4.1092 -4.1092 -4.1079 -4.1079 -2.2576 -2.2576 -1.7084 -1.7084 -0.9659 -0.9659 -0.9570 -0.9570 -0.6923 -0.6923 1.1522 1.1522 1.1576 1.1576 1.7164 1.7164 k =-0.5000 0.2097 0.5422 ( 6342 PWs) bands (ev): -16.6018 -16.6018 -16.0195 -16.0195 -12.1177 -12.1177 -10.3525 -10.3525 -10.3318 -10.3318 -10.0804 -10.0804 -10.0791 -10.0791 -6.1467 -6.1467 -6.1445 -6.1445 -4.8652 -4.8652 -4.1104 -4.1104 -4.1091 -4.1091 -2.2628 -2.2628 -1.7085 -1.7085 -0.9665 -0.9665 -0.9576 -0.9576 -0.6907 -0.6907 1.1534 1.1534 1.1588 1.1588 1.7150 1.7150 k = 0.0000 0.0000 0.5422 ( 6380 PWs) bands (ev): -16.6023 -16.6023 -16.0194 -16.0194 -12.1197 -12.1197 -10.3579 -10.3579 -10.3307 -10.3307 -10.0781 -10.0781 -10.0704 -10.0704 -6.1504 -6.1504 -6.1450 -6.1450 -4.9331 -4.9331 -4.0716 -4.0716 -3.9898 -3.9898 -2.2582 -2.2582 -1.7090 -1.7090 -1.1435 -1.1435 -1.0661 -1.0661 -0.6232 -0.6232 0.8882 0.8882 1.4008 1.4008 1.7165 1.7165 k = 0.0081 0.0192 0.5422 ( 6378 PWs) bands (ev): -16.6020 -16.6020 -16.0199 -16.0199 -12.1196 -12.1196 -10.3578 -10.3578 -10.3306 -10.3306 -10.0782 -10.0782 -10.0705 -10.0705 -6.1508 -6.1508 -6.1451 -6.1451 -4.9350 -4.9350 -4.0705 -4.0705 -3.9896 -3.9896 -2.2529 -2.2529 -1.7091 -1.7091 -1.1434 -1.1434 -1.0652 -1.0652 -0.6243 -0.6243 0.8873 0.8873 1.3965 1.3965 1.7211 1.7211 k = 0.0161 0.0385 0.5422 ( 6390 PWs) bands (ev): -16.6009 -16.6009 -16.0211 -16.0211 -12.1193 -12.1193 -10.3574 -10.3574 -10.3303 -10.3303 -10.0786 -10.0786 -10.0709 -10.0709 -6.1520 -6.1520 -6.1456 -6.1456 -4.9407 -4.9407 -4.0674 -4.0674 -3.9889 -3.9889 -2.2371 -2.2371 -1.7092 -1.7092 -1.1430 -1.1430 -1.0625 -1.0625 -0.6276 -0.6276 0.8847 0.8847 1.3844 1.3844 1.7342 1.7342 k = 0.0242 0.0577 0.5422 ( 6394 PWs) bands (ev): -16.5993 -16.5993 -16.0232 -16.0232 -12.1188 -12.1188 -10.3568 -10.3568 -10.3298 -10.3298 -10.0792 -10.0792 -10.0716 -10.0716 -6.1539 -6.1539 -6.1464 -6.1464 -4.9500 -4.9500 -4.0623 -4.0623 -3.9875 -3.9875 -2.2110 -2.2110 -1.7095 -1.7095 -1.1424 -1.1424 -1.0581 -1.0581 -0.6330 -0.6330 0.8804 0.8804 1.3658 1.3658 1.7542 1.7542 k = 0.0323 0.0769 0.5422 ( 6394 PWs) bands (ev): -16.5969 -16.5969 -16.0261 -16.0261 -12.1181 -12.1181 -10.3560 -10.3560 -10.3292 -10.3292 -10.0801 -10.0801 -10.0725 -10.0725 -6.1566 -6.1566 -6.1475 -6.1475 -4.9628 -4.9628 -4.0551 -4.0551 -3.9852 -3.9852 -2.1752 -2.1752 -1.7098 -1.7098 -1.1416 -1.1416 -1.0519 -1.0519 -0.6402 -0.6402 0.8744 0.8744 1.3426 1.3426 1.7794 1.7794 k = 0.0403 0.0962 0.5422 ( 6388 PWs) bands (ev): -16.5939 -16.5939 -16.0298 -16.0298 -12.1172 -12.1172 -10.3550 -10.3550 -10.3283 -10.3283 -10.0812 -10.0812 -10.0737 -10.0737 -6.1600 -6.1600 -6.1488 -6.1488 -4.9790 -4.9790 -4.0460 -4.0460 -3.9818 -3.9818 -2.1301 -2.1301 -1.7102 -1.7102 -1.1409 -1.1409 -1.0441 -1.0441 -0.6491 -0.6491 0.8668 0.8668 1.3159 1.3159 1.8085 1.8085 k = 0.0484 0.1154 0.5422 ( 6376 PWs) bands (ev): -16.5902 -16.5902 -16.0342 -16.0342 -12.1161 -12.1161 -10.3537 -10.3537 -10.3272 -10.3272 -10.0825 -10.0825 -10.0751 -10.0751 -6.1641 -6.1641 -6.1504 -6.1504 -4.9981 -4.9981 -4.0351 -4.0351 -3.9771 -3.9771 -2.0764 -2.0764 -1.7105 -1.7105 -1.1404 -1.1404 -1.0347 -1.0347 -0.6592 -0.6592 0.8575 0.8575 1.2868 1.2868 1.8403 1.8403 k = 0.0565 0.1346 0.5422 ( 6400 PWs) bands (ev): -16.5858 -16.5858 -16.0396 -16.0396 -12.1149 -12.1149 -10.3522 -10.3522 -10.3261 -10.3261 -10.0840 -10.0840 -10.0767 -10.0767 -6.1689 -6.1689 -6.1522 -6.1522 -5.0201 -5.0201 -4.0225 -4.0225 -3.9708 -3.9708 -2.0148 -2.0148 -1.7107 -1.7107 -1.1403 -1.1403 -1.0237 -1.0237 -0.6703 -0.6703 0.8467 0.8467 1.2558 1.2558 1.8741 1.8741 k = 0.0645 0.1539 0.5422 ( 6396 PWs) bands (ev): -16.5808 -16.5808 -16.0456 -16.0456 -12.1135 -12.1135 -10.3506 -10.3506 -10.3247 -10.3247 -10.0857 -10.0857 -10.0785 -10.0785 -6.1743 -6.1743 -6.1542 -6.1542 -5.0443 -5.0443 -4.0082 -4.0082 -3.9629 -3.9629 -1.9458 -1.9458 -1.7109 -1.7109 -1.1409 -1.1409 -1.0112 -1.0112 -0.6819 -0.6819 0.8344 0.8344 1.2235 1.2235 1.9095 1.9095 k = 0.0726 0.1731 0.5422 ( 6382 PWs) bands (ev): -16.5752 -16.5752 -16.0524 -16.0524 -12.1120 -12.1120 -10.3487 -10.3487 -10.3233 -10.3233 -10.0876 -10.0876 -10.0805 -10.0805 -6.1802 -6.1802 -6.1564 -6.1564 -5.0705 -5.0705 -3.9924 -3.9924 -3.9532 -3.9532 -1.8703 -1.8703 -1.7108 -1.7108 -1.1425 -1.1425 -0.9974 -0.9974 -0.6934 -0.6934 0.8207 0.8207 1.1900 1.1900 1.9459 1.9459 k = 0.0806 0.1923 0.5422 ( 6396 PWs) bands (ev): -16.5690 -16.5690 -16.0599 -16.0599 -12.1103 -12.1103 -10.3467 -10.3467 -10.3217 -10.3217 -10.0896 -10.0896 -10.0827 -10.0827 -6.1867 -6.1867 -6.1587 -6.1587 -5.0982 -5.0982 -3.9754 -3.9754 -3.9418 -3.9418 -1.7888 -1.7888 -1.7104 -1.7104 -1.1455 -1.1455 -0.9822 -0.9822 -0.7044 -0.7044 0.8056 0.8056 1.1557 1.1557 1.9831 1.9831 k = 0.0887 0.2116 0.5422 ( 6396 PWs) bands (ev): -16.5621 -16.5621 -16.0681 -16.0681 -12.1086 -12.1086 -10.3446 -10.3446 -10.3201 -10.3201 -10.0918 -10.0918 -10.0850 -10.0850 -6.1936 -6.1936 -6.1611 -6.1611 -5.1270 -5.1270 -3.9571 -3.9571 -3.9287 -3.9287 -1.7097 -1.7097 -1.7020 -1.7020 -1.1501 -1.1501 -0.9659 -0.9659 -0.7143 -0.7143 0.7894 0.7894 1.1206 1.1206 2.0208 2.0208 k = 0.0968 0.2308 0.5422 ( 6388 PWs) bands (ev): -16.5546 -16.5546 -16.0770 -16.0770 -12.1067 -12.1067 -10.3423 -10.3423 -10.3184 -10.3184 -10.0940 -10.0940 -10.0874 -10.0874 -6.2009 -6.2009 -6.1636 -6.1636 -5.1565 -5.1565 -3.9379 -3.9379 -3.9141 -3.9141 -1.7086 -1.7086 -1.6103 -1.6103 -1.1567 -1.1567 -0.9484 -0.9484 -0.7226 -0.7226 0.7721 0.7721 1.0849 1.0849 2.0587 2.0587 k = 0.1048 0.2500 0.5422 ( 6384 PWs) bands (ev): -16.5465 -16.5465 -16.0865 -16.0865 -12.1048 -12.1048 -10.3399 -10.3399 -10.3166 -10.3166 -10.0964 -10.0964 -10.0899 -10.0899 -6.2084 -6.2084 -6.1662 -6.1662 -5.1863 -5.1863 -3.9178 -3.9178 -3.8982 -3.8982 -1.7070 -1.7070 -1.5144 -1.5144 -1.1655 -1.1655 -0.9301 -0.9301 -0.7290 -0.7290 0.7539 0.7539 1.0488 1.0488 2.0967 2.0967 k = 0.1129 0.2693 0.5422 ( 6398 PWs) bands (ev): -16.5379 -16.5379 -16.0966 -16.0966 -12.1028 -12.1028 -10.3374 -10.3374 -10.3148 -10.3148 -10.0988 -10.0988 -10.0924 -10.0924 -6.2163 -6.2163 -6.1688 -6.1688 -5.2160 -5.2160 -3.8972 -3.8972 -3.8812 -3.8812 -1.7048 -1.7048 -1.4148 -1.4148 -1.1767 -1.1767 -0.9109 -0.9109 -0.7331 -0.7331 0.7350 0.7350 1.0124 1.0124 2.1346 2.1346 k = 0.1210 0.2885 0.5422 ( 6394 PWs) bands (ev): -16.5288 -16.5288 -16.1073 -16.1073 -12.1007 -12.1007 -10.3348 -10.3348 -10.3131 -10.3131 -10.1012 -10.1012 -10.0950 -10.0950 -6.2243 -6.2243 -6.1714 -6.1714 -5.2453 -5.2453 -3.8761 -3.8761 -3.8633 -3.8633 -1.7021 -1.7021 -1.3118 -1.3118 -1.1903 -1.1903 -0.8909 -0.8909 -0.7348 -0.7348 0.7154 0.7154 0.9757 0.9757 2.1721 2.1721 k = 0.1290 0.3077 0.5422 ( 6386 PWs) bands (ev): -16.5190 -16.5190 -16.1185 -16.1185 -12.0987 -12.0987 -10.3322 -10.3322 -10.3113 -10.3113 -10.1037 -10.1037 -10.0976 -10.0976 -6.2324 -6.2324 -6.1739 -6.1739 -5.2738 -5.2738 -3.8548 -3.8548 -3.8447 -3.8447 -1.6986 -1.6986 -1.2071 -1.2071 -1.2052 -1.2052 -0.8705 -0.8705 -0.7340 -0.7340 0.6954 0.6954 0.9390 0.9390 2.2093 2.2093 k = 0.1371 0.3270 0.5422 ( 6390 PWs) bands (ev): -16.5088 -16.5088 -16.1302 -16.1302 -12.0967 -12.0967 -10.3296 -10.3296 -10.3096 -10.3096 -10.1061 -10.1061 -10.1002 -10.1002 -6.2405 -6.2405 -6.1764 -6.1764 -5.3014 -5.3014 -3.8336 -3.8336 -3.8258 -3.8258 -1.6944 -1.6944 -1.2243 -1.2243 -1.0980 -1.0980 -0.8497 -0.8497 -0.7310 -0.7310 0.6753 0.6753 0.9025 0.9025 2.2458 2.2458 k = 0.1452 0.3462 0.5422 ( 6382 PWs) bands (ev): -16.4981 -16.4981 -16.1424 -16.1424 -12.0946 -12.0946 -10.3269 -10.3269 -10.3080 -10.3080 -10.1085 -10.1085 -10.1028 -10.1028 -6.2486 -6.2486 -6.1789 -6.1789 -5.3277 -5.3277 -3.8126 -3.8126 -3.8067 -3.8067 -1.6895 -1.6895 -1.2441 -1.2441 -0.9880 -0.9880 -0.8286 -0.8286 -0.7259 -0.7259 0.6552 0.6552 0.8662 0.8662 2.2815 2.2815 k = 0.1532 0.3654 0.5422 ( 6366 PWs) bands (ev): -16.4868 -16.4868 -16.1550 -16.1550 -12.0927 -12.0927 -10.3243 -10.3243 -10.3064 -10.3064 -10.1108 -10.1108 -10.1052 -10.1052 -6.2565 -6.2565 -6.1812 -6.1812 -5.3526 -5.3526 -3.7921 -3.7921 -3.7877 -3.7877 -1.6836 -1.6836 -1.2654 -1.2654 -0.8769 -0.8769 -0.8074 -0.8074 -0.7191 -0.7191 0.6354 0.6354 0.8305 0.8305 2.3164 2.3164 k = 0.1613 0.3847 0.5422 ( 6366 PWs) bands (ev): -16.4752 -16.4752 -16.1680 -16.1680 -12.0908 -12.0908 -10.3217 -10.3217 -10.3050 -10.3050 -10.1130 -10.1130 -10.1076 -10.1076 -6.2642 -6.2642 -6.1834 -6.1834 -5.3759 -5.3759 -3.7722 -3.7722 -3.7692 -3.7692 -1.6769 -1.6769 -1.2877 -1.2877 -0.7878 -0.7878 -0.7638 -0.7638 -0.7108 -0.7108 0.6162 0.6162 0.7955 0.7955 2.3503 2.3503 k = 0.1694 0.4039 0.5422 ( 6352 PWs) bands (ev): -16.4632 -16.4632 -16.1814 -16.1814 -12.0890 -12.0890 -10.3192 -10.3192 -10.3037 -10.3037 -10.1151 -10.1151 -10.1099 -10.1099 -6.2716 -6.2716 -6.1855 -6.1855 -5.3976 -5.3976 -3.7533 -3.7533 -3.7513 -3.7513 -1.6692 -1.6692 -1.3109 -1.3109 -0.7668 -0.7668 -0.7024 -0.7024 -0.6515 -0.6515 0.5979 0.5979 0.7614 0.7614 2.3831 2.3831 k = 0.1774 0.4231 0.5422 ( 6366 PWs) bands (ev): -16.4508 -16.4508 -16.1951 -16.1951 -12.0873 -12.0873 -10.3168 -10.3168 -10.3026 -10.3026 -10.1171 -10.1171 -10.1120 -10.1120 -6.2786 -6.2786 -6.1874 -6.1874 -5.4173 -5.4173 -3.7354 -3.7354 -3.7343 -3.7343 -1.6606 -1.6606 -1.3346 -1.3346 -0.7471 -0.7471 -0.6925 -0.6925 -0.5401 -0.5401 0.5808 0.5808 0.7285 0.7285 2.2774 2.2774 k = 0.1855 0.4424 0.5422 ( 6350 PWs) bands (ev): -16.4378 -16.4378 -16.2090 -16.2090 -12.0857 -12.0857 -10.3144 -10.3144 -10.3016 -10.3016 -10.1189 -10.1189 -10.1139 -10.1139 -6.2851 -6.2851 -6.1892 -6.1892 -5.4352 -5.4352 -3.7190 -3.7190 -3.7183 -3.7183 -1.6509 -1.6509 -1.3585 -1.3585 -0.7283 -0.7283 -0.6825 -0.6825 -0.4300 -0.4300 0.5651 0.5651 0.6970 0.6970 2.1676 2.1676 k = 0.1935 0.4616 0.5422 ( 6362 PWs) bands (ev): -16.4247 -16.4247 -16.2232 -16.2232 -12.0843 -12.0843 -10.3122 -10.3122 -10.3009 -10.3009 -10.1206 -10.1206 -10.1157 -10.1157 -6.2911 -6.2911 -6.1908 -6.1908 -5.4511 -5.4511 -3.7041 -3.7041 -3.7034 -3.7034 -1.6402 -1.6402 -1.3823 -1.3823 -0.7109 -0.7109 -0.6727 -0.6727 -0.3227 -0.3227 0.5513 0.5513 0.6673 0.6673 2.0602 2.0602 k = 0.2016 0.4808 0.5422 ( 6362 PWs) bands (ev): -16.4113 -16.4113 -16.2376 -16.2376 -12.0830 -12.0830 -10.3101 -10.3101 -10.3003 -10.3003 -10.1220 -10.1220 -10.1173 -10.1173 -6.2964 -6.2964 -6.1922 -6.1922 -5.4649 -5.4649 -3.6910 -3.6910 -3.6900 -3.6900 -1.6283 -1.6283 -1.4060 -1.4060 -0.6949 -0.6949 -0.6634 -0.6634 -0.2195 -0.2195 0.5397 0.5397 0.6396 0.6396 1.9570 1.9570 k = 0.2097 0.5001 0.5422 ( 6358 PWs) bands (ev): -16.3975 -16.3975 -16.2522 -16.2522 -12.0819 -12.0819 -10.3082 -10.3082 -10.2999 -10.2999 -10.1233 -10.1233 -10.1186 -10.1186 -6.3011 -6.3011 -6.1934 -6.1934 -5.4766 -5.4766 -3.6797 -3.6797 -3.6783 -3.6783 -1.6154 -1.6154 -1.4292 -1.4292 -0.6807 -0.6807 -0.6550 -0.6550 -0.1226 -0.1226 0.5305 0.5305 0.6142 0.6142 1.8599 1.8599 k = 0.2177 0.5193 0.5422 ( 6362 PWs) bands (ev): -16.3835 -16.3835 -16.2668 -16.2668 -12.0810 -12.0810 -10.3064 -10.3064 -10.2998 -10.2998 -10.1244 -10.1244 -10.1198 -10.1198 -6.3050 -6.3050 -6.1944 -6.1944 -5.4863 -5.4863 -3.6702 -3.6702 -3.6685 -3.6685 -1.6014 -1.6014 -1.4518 -1.4518 -0.6686 -0.6686 -0.6477 -0.6477 -0.0348 -0.0348 0.5241 0.5241 0.5914 0.5914 1.7717 1.7717 k = 0.2258 0.5385 0.5422 ( 6366 PWs) bands (ev): -16.3694 -16.3694 -16.2816 -16.2816 -12.0803 -12.0803 -10.3048 -10.3048 -10.2998 -10.2998 -10.1252 -10.1252 -10.1206 -10.1206 -6.3081 -6.3081 -6.1952 -6.1952 -5.4938 -5.4938 -3.6626 -3.6626 -3.6608 -3.6608 -1.5863 -1.5863 -1.4738 -1.4738 -0.6588 -0.6588 -0.6418 -0.6418 0.0406 0.0406 0.5208 0.5208 0.5714 0.5714 1.6961 1.6961 k = 0.2339 0.5578 0.5422 ( 6366 PWs) bands (ev): -16.3550 -16.3550 -16.2963 -16.2963 -12.0798 -12.0798 -10.3035 -10.3035 -10.3001 -10.3001 -10.1258 -10.1258 -10.1213 -10.1213 -6.3103 -6.3103 -6.1957 -6.1957 -5.4992 -5.4992 -3.6572 -3.6572 -3.6553 -3.6553 -1.5701 -1.5701 -1.4949 -1.4949 -0.6515 -0.6515 -0.6375 -0.6375 0.0994 0.0994 0.5206 0.5206 0.5545 0.5545 1.6371 1.6371 k = 0.2419 0.5770 0.5422 ( 6346 PWs) bands (ev): -16.3404 -16.3404 -16.3110 -16.3110 -12.0794 -12.0794 -10.3023 -10.3023 -10.3006 -10.3006 -10.1262 -10.1262 -10.1217 -10.1217 -6.3116 -6.3116 -6.1961 -6.1961 -5.5024 -5.5024 -3.6539 -3.6539 -3.6519 -3.6519 -1.5529 -1.5529 -1.5152 -1.5152 -0.6470 -0.6470 -0.6349 -0.6349 0.1371 0.1371 0.5239 0.5239 0.5409 0.5409 1.5993 1.5993 k = 0.2500 0.5962 0.5422 ( 6340 PWs) bands (ev): -16.3258 -16.3258 -16.3258 -16.3258 -12.0793 -12.0793 -10.3013 -10.3013 -10.3013 -10.3013 -10.1263 -10.1263 -10.1218 -10.1218 -6.3121 -6.3121 -6.1962 -6.1962 -5.5035 -5.5035 -3.6528 -3.6528 -3.6507 -3.6507 -1.5345 -1.5345 -1.5345 -1.5345 -0.6455 -0.6455 -0.6340 -0.6340 0.1501 0.1501 0.5298 0.5298 0.5316 0.5316 1.5863 1.5863 Writing output data file B9N.save init_run : 0.22s CPU 0.34s WALL ( 1 calls) electrons : 115.91s CPU 117.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 115.90s CPU 117.43s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 260 calls) cegterg : 99.11s CPU 100.08s WALL ( 297 calls) Called by sum_band: Called by *egterg: h_psi : 76.69s CPU 77.70s WALL ( 4685 calls) s_psi : 2.44s CPU 2.37s WALL ( 4685 calls) g_psi : 0.19s CPU 0.19s WALL ( 4128 calls) cdiaghg : 23.58s CPU 23.77s WALL ( 4388 calls) cegterg:over : 3.84s CPU 3.72s WALL ( 4128 calls) cegterg:upda : 3.63s CPU 3.80s WALL ( 4128 calls) cegterg:last : 1.87s CPU 1.78s WALL ( 821 calls) cdiaghg:chol : 1.30s CPU 1.37s WALL ( 4388 calls) cdiaghg:inve : 0.82s CPU 0.75s WALL ( 4388 calls) cdiaghg:para : 1.34s CPU 1.35s WALL ( 8776 calls) Called by h_psi: h_psi:vloc : 70.12s CPU 70.91s WALL ( 4685 calls) h_psi:vnl : 6.42s CPU 6.58s WALL ( 4685 calls) add_vuspsi : 2.56s CPU 2.67s WALL ( 4685 calls) General routines calbec : 3.84s CPU 3.90s WALL ( 4685 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 65.48s CPU 66.18s WALL ( 472556 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.23s WALL ( 520 calls) Parallel routines fft_scatter : 17.64s CPU 17.87s WALL ( 472579 calls) PWSCF : 2m 8.28s CPU 2m18.86s WALL This run was terminated on: 13:54: 3 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=