Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:12:45 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: ./C.save/ 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 35 17 5 1114 388 67 Max 37 18 6 1117 406 72 Sum 1265 639 189 40183 14275 2455 bravais-lattice index = 14 lattice parameter (alat) = 6.9873 a.u. unit-cell volume = 402.9073 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 1 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.987268 celldm(2)= 1.000000 celldm(3)= 1.191615 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.132617 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.132617 0.991167 0.000000 ) a(3) = ( 0.000000 0.000000 1.191615 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.133799 -0.000000 ) b(2) = ( 0.000000 1.008911 -0.000000 ) b(3) = ( 0.000000 0.000000 0.839197 ) PseudoPot. # 1 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 C 4.00 12.01070 C( 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 ) ( 0 0 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 ) ( 0 0 -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= 476 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0077448 0.0088501 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0154897 0.0177002 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0232345 0.0265503 -0.0000000), wk = 0.0021008 k( 5) = ( 0.0309793 0.0354004 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0387242 0.0442505 -0.0000000), wk = 0.0021008 k( 7) = ( 0.0464690 0.0531006 -0.0000000), wk = 0.0021008 k( 8) = ( 0.0542138 0.0619507 -0.0000000), wk = 0.0021008 k( 9) = ( 0.0619586 0.0708008 -0.0000000), wk = 0.0021008 k( 10) = ( 0.0697035 0.0796509 -0.0000000), wk = 0.0021008 k( 11) = ( 0.0774483 0.0885010 -0.0000000), wk = 0.0021008 k( 12) = ( 0.0851931 0.0973511 -0.0000000), wk = 0.0021008 k( 13) = ( 0.0929380 0.1062012 -0.0000000), wk = 0.0021008 k( 14) = ( 0.1006828 0.1150513 -0.0000000), wk = 0.0021008 k( 15) = ( 0.1084276 0.1239014 -0.0000000), wk = 0.0021008 k( 16) = ( 0.1161725 0.1327515 -0.0000000), wk = 0.0021008 k( 17) = ( 0.1239173 0.1416016 -0.0000000), wk = 0.0021008 k( 18) = ( 0.1316621 0.1504517 -0.0000000), wk = 0.0021008 k( 19) = ( 0.1394070 0.1593018 -0.0000000), wk = 0.0021008 k( 20) = ( 0.1471518 0.1681519 -0.0000000), wk = 0.0021008 k( 21) = ( 0.1548966 0.1770020 -0.0000000), wk = 0.0021008 k( 22) = ( 0.1626415 0.1858521 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1703863 0.1947022 -0.0000000), wk = 0.0021008 k( 24) = ( 0.1781311 0.2035523 -0.0000000), wk = 0.0021008 k( 25) = ( 0.1858760 0.2124024 -0.0000000), wk = 0.0021008 k( 26) = ( 0.1936208 0.2212525 -0.0000000), wk = 0.0021008 k( 27) = ( 0.2013656 0.2301026 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2091105 0.2389527 -0.0000000), wk = 0.0021008 k( 29) = ( 0.2168553 0.2478028 -0.0000000), wk = 0.0021008 k( 30) = ( 0.2246001 0.2566529 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2323449 0.2655030 -0.0000000), wk = 0.0021008 k( 32) = ( 0.2400898 0.2743531 -0.0000000), wk = 0.0021008 k( 33) = ( 0.2478346 0.2832032 -0.0000000), wk = 0.0021008 k( 34) = ( 0.2555794 0.2920533 -0.0000000), wk = 0.0021008 k( 35) = ( 0.2633243 0.3009034 -0.0000000), wk = 0.0021008 k( 36) = ( 0.2710691 0.3097535 -0.0000000), wk = 0.0021008 k( 37) = ( 0.2788139 0.3186036 -0.0000000), wk = 0.0021008 k( 38) = ( 0.2865588 0.3274537 -0.0000000), wk = 0.0021008 k( 39) = ( 0.2943036 0.3363038 -0.0000000), wk = 0.0021008 k( 40) = ( 0.3020484 0.3451539 -0.0000000), wk = 0.0021008 k( 41) = ( 0.3097933 0.3540040 -0.0000000), wk = 0.0021008 k( 42) = ( 0.3175381 0.3628541 -0.0000000), wk = 0.0021008 k( 43) = ( 0.3252829 0.3717042 -0.0000000), wk = 0.0021008 k( 44) = ( 0.3330278 0.3805543 -0.0000000), wk = 0.0021008 k( 45) = ( 0.3407726 0.3894044 -0.0000000), wk = 0.0021008 k( 46) = ( 0.3485174 0.3982545 -0.0000000), wk = 0.0021008 k( 47) = ( 0.3562622 0.4071046 -0.0000000), wk = 0.0021008 k( 48) = ( 0.3640071 0.4159547 -0.0000000), wk = 0.0021008 k( 49) = ( 0.3717519 0.4248048 -0.0000000), wk = 0.0021008 k( 50) = ( 0.3794967 0.4336549 -0.0000000), wk = 0.0021008 k( 51) = ( 0.3872416 0.4425050 -0.0000000), wk = 0.0021008 k( 52) = ( 0.3949864 0.4513551 -0.0000000), wk = 0.0021008 k( 53) = ( 0.4027312 0.4602052 -0.0000000), wk = 0.0021008 k( 54) = ( 0.4104761 0.4690553 -0.0000000), wk = 0.0021008 k( 55) = ( 0.4182209 0.4779054 -0.0000000), wk = 0.0021008 k( 56) = ( 0.4259657 0.4867555 -0.0000000), wk = 0.0021008 k( 57) = ( 0.4337106 0.4956056 -0.0000000), wk = 0.0021008 k( 58) = ( 0.4414554 0.5044557 -0.0000000), wk = 0.0021008 k( 59) = ( 0.4414554 0.5044557 -0.0000000), wk = 0.0021008 k( 60) = ( 0.4298381 0.5044557 -0.0000000), wk = 0.0021008 k( 61) = ( 0.4182209 0.5044557 -0.0000000), wk = 0.0021008 k( 62) = ( 0.4066036 0.5044557 -0.0000000), wk = 0.0021008 k( 63) = ( 0.3949864 0.5044557 -0.0000000), wk = 0.0021008 k( 64) = ( 0.3833691 0.5044557 -0.0000000), wk = 0.0021008 k( 65) = ( 0.3717519 0.5044557 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3601347 0.5044557 -0.0000000), wk = 0.0021008 k( 67) = ( 0.3485174 0.5044557 -0.0000000), wk = 0.0021008 k( 68) = ( 0.3369002 0.5044557 -0.0000000), wk = 0.0021008 k( 69) = ( 0.3252829 0.5044557 -0.0000000), wk = 0.0021008 k( 70) = ( 0.3136657 0.5044557 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3020484 0.5044557 -0.0000000), wk = 0.0021008 k( 72) = ( 0.2904312 0.5044557 -0.0000000), wk = 0.0021008 k( 73) = ( 0.2788139 0.5044557 -0.0000000), wk = 0.0021008 k( 74) = ( 0.2671967 0.5044557 -0.0000000), wk = 0.0021008 k( 75) = ( 0.2555794 0.5044557 -0.0000000), wk = 0.0021008 k( 76) = ( 0.2439622 0.5044557 -0.0000000), wk = 0.0021008 k( 77) = ( 0.2323449 0.5044557 -0.0000000), wk = 0.0021008 k( 78) = ( 0.2207277 0.5044557 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2091105 0.5044557 -0.0000000), wk = 0.0021008 k( 80) = ( 0.1974932 0.5044557 -0.0000000), wk = 0.0021008 k( 81) = ( 0.1858760 0.5044557 -0.0000000), wk = 0.0021008 k( 82) = ( 0.1742587 0.5044557 -0.0000000), wk = 0.0021008 k( 83) = ( 0.1626415 0.5044557 -0.0000000), wk = 0.0021008 k( 84) = ( 0.1510242 0.5044557 -0.0000000), wk = 0.0021008 k( 85) = ( 0.1394070 0.5044557 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1277897 0.5044557 -0.0000000), wk = 0.0021008 k( 87) = ( 0.1161725 0.5044557 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1045552 0.5044557 -0.0000000), wk = 0.0021008 k( 89) = ( 0.0929380 0.5044557 -0.0000000), wk = 0.0021008 k( 90) = ( 0.0813207 0.5044557 -0.0000000), wk = 0.0021008 k( 91) = ( 0.0697035 0.5044557 -0.0000000), wk = 0.0021008 k( 92) = ( 0.0580862 0.5044557 -0.0000000), wk = 0.0021008 k( 93) = ( 0.0464690 0.5044557 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0348517 0.5044557 -0.0000000), wk = 0.0021008 k( 95) = ( 0.0232345 0.5044557 -0.0000000), wk = 0.0021008 k( 96) = ( 0.0116173 0.5044557 -0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5044557 -0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5044557 -0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5044557 0.0116555), wk = 0.0021008 k( 100) = ( 0.0000000 0.5044557 0.0233110), wk = 0.0021008 k( 101) = ( 0.0000000 0.5044557 0.0349666), wk = 0.0021008 k( 102) = ( 0.0000000 0.5044557 0.0466221), wk = 0.0021008 k( 103) = ( 0.0000000 0.5044557 0.0582776), wk = 0.0021008 k( 104) = ( 0.0000000 0.5044557 0.0699331), wk = 0.0021008 k( 105) = ( 0.0000000 0.5044557 0.0815886), wk = 0.0021008 k( 106) = ( 0.0000000 0.5044557 0.0932441), wk = 0.0021008 k( 107) = ( 0.0000000 0.5044557 0.1048997), wk = 0.0021008 k( 108) = ( 0.0000000 0.5044557 0.1165552), wk = 0.0021008 k( 109) = ( 0.0000000 0.5044557 0.1282107), wk = 0.0021008 k( 110) = ( 0.0000000 0.5044557 0.1398662), wk = 0.0021008 k( 111) = ( 0.0000000 0.5044557 0.1515217), wk = 0.0021008 k( 112) = ( 0.0000000 0.5044557 0.1631773), wk = 0.0021008 k( 113) = ( 0.0000000 0.5044557 0.1748328), wk = 0.0021008 k( 114) = ( 0.0000000 0.5044557 0.1864883), wk = 0.0021008 k( 115) = ( 0.0000000 0.5044557 0.1981438), wk = 0.0021008 k( 116) = ( 0.0000000 0.5044557 0.2097993), wk = 0.0021008 k( 117) = ( 0.0000000 0.5044557 0.2214548), wk = 0.0021008 k( 118) = ( 0.0000000 0.5044557 0.2331104), wk = 0.0021008 k( 119) = ( 0.0000000 0.5044557 0.2447659), wk = 0.0021008 k( 120) = ( 0.0000000 0.5044557 0.2564214), wk = 0.0021008 k( 121) = ( 0.0000000 0.5044557 0.2680769), wk = 0.0021008 k( 122) = ( 0.0000000 0.5044557 0.2797324), wk = 0.0021008 k( 123) = ( 0.0000000 0.5044557 0.2913880), wk = 0.0021008 k( 124) = ( 0.0000000 0.5044557 0.3030435), wk = 0.0021008 k( 125) = ( 0.0000000 0.5044557 0.3146990), wk = 0.0021008 k( 126) = ( 0.0000000 0.5044557 0.3263545), wk = 0.0021008 k( 127) = ( 0.0000000 0.5044557 0.3380100), wk = 0.0021008 k( 128) = ( 0.0000000 0.5044557 0.3496656), wk = 0.0021008 k( 129) = ( 0.0000000 0.5044557 0.3613211), wk = 0.0021008 k( 130) = ( 0.0000000 0.5044557 0.3729766), wk = 0.0021008 k( 131) = ( 0.0000000 0.5044557 0.3846321), wk = 0.0021008 k( 132) = ( 0.0000000 0.5044557 0.3962876), wk = 0.0021008 k( 133) = ( 0.0000000 0.5044557 0.4079431), wk = 0.0021008 k( 134) = ( 0.0000000 0.5044557 0.4195987), wk = 0.0021008 k( 135) = ( 0.0000000 0.5044557 0.4195987), wk = 0.0021008 k( 136) = ( 0.0116173 0.5044557 0.4195987), wk = 0.0021008 k( 137) = ( 0.0232345 0.5044557 0.4195987), wk = 0.0021008 k( 138) = ( 0.0348517 0.5044557 0.4195987), wk = 0.0021008 k( 139) = ( 0.0464690 0.5044557 0.4195987), wk = 0.0021008 k( 140) = ( 0.0580862 0.5044557 0.4195987), wk = 0.0021008 k( 141) = ( 0.0697035 0.5044557 0.4195987), wk = 0.0021008 k( 142) = ( 0.0813207 0.5044557 0.4195987), wk = 0.0021008 k( 143) = ( 0.0929380 0.5044557 0.4195987), wk = 0.0021008 k( 144) = ( 0.1045552 0.5044557 0.4195987), wk = 0.0021008 k( 145) = ( 0.1161725 0.5044557 0.4195987), wk = 0.0021008 k( 146) = ( 0.1277897 0.5044557 0.4195987), wk = 0.0021008 k( 147) = ( 0.1394070 0.5044557 0.4195987), wk = 0.0021008 k( 148) = ( 0.1510242 0.5044557 0.4195987), wk = 0.0021008 k( 149) = ( 0.1626415 0.5044557 0.4195987), wk = 0.0021008 k( 150) = ( 0.1742587 0.5044557 0.4195987), wk = 0.0021008 k( 151) = ( 0.1858760 0.5044557 0.4195987), wk = 0.0021008 k( 152) = ( 0.1974932 0.5044557 0.4195987), wk = 0.0021008 k( 153) = ( 0.2091105 0.5044557 0.4195987), wk = 0.0021008 k( 154) = ( 0.2207277 0.5044557 0.4195987), wk = 0.0021008 k( 155) = ( 0.2323449 0.5044557 0.4195987), wk = 0.0021008 k( 156) = ( 0.2439622 0.5044557 0.4195987), wk = 0.0021008 k( 157) = ( 0.2555794 0.5044557 0.4195987), wk = 0.0021008 k( 158) = ( 0.2671967 0.5044557 0.4195987), wk = 0.0021008 k( 159) = ( 0.2788139 0.5044557 0.4195987), wk = 0.0021008 k( 160) = ( 0.2904312 0.5044557 0.4195987), wk = 0.0021008 k( 161) = ( 0.3020484 0.5044557 0.4195987), wk = 0.0021008 k( 162) = ( 0.3136657 0.5044557 0.4195987), wk = 0.0021008 k( 163) = ( 0.3252829 0.5044557 0.4195987), wk = 0.0021008 k( 164) = ( 0.3369002 0.5044557 0.4195987), wk = 0.0021008 k( 165) = ( 0.3485174 0.5044557 0.4195987), wk = 0.0021008 k( 166) = ( 0.3601347 0.5044557 0.4195987), wk = 0.0021008 k( 167) = ( 0.3717519 0.5044557 0.4195987), wk = 0.0021008 k( 168) = ( 0.3833691 0.5044557 0.4195987), wk = 0.0021008 k( 169) = ( 0.3949864 0.5044557 0.4195987), wk = 0.0021008 k( 170) = ( 0.4066036 0.5044557 0.4195987), wk = 0.0021008 k( 171) = ( 0.4182209 0.5044557 0.4195987), wk = 0.0021008 k( 172) = ( 0.4298381 0.5044557 0.4195987), wk = 0.0021008 k( 173) = ( 0.4414554 0.5044557 0.4195987), wk = 0.0021008 k( 174) = ( 0.4414554 0.5044557 0.4195987), wk = 0.0021008 k( 175) = ( 0.4337106 0.4956056 0.4195987), wk = 0.0021008 k( 176) = ( 0.4259657 0.4867555 0.4195987), wk = 0.0021008 k( 177) = ( 0.4182209 0.4779054 0.4195987), wk = 0.0021008 k( 178) = ( 0.4104761 0.4690553 0.4195987), wk = 0.0021008 k( 179) = ( 0.4027312 0.4602052 0.4195987), wk = 0.0021008 k( 180) = ( 0.3949864 0.4513551 0.4195987), wk = 0.0021008 k( 181) = ( 0.3872416 0.4425050 0.4195987), wk = 0.0021008 k( 182) = ( 0.3794967 0.4336549 0.4195987), wk = 0.0021008 k( 183) = ( 0.3717519 0.4248048 0.4195987), wk = 0.0021008 k( 184) = ( 0.3640071 0.4159547 0.4195987), wk = 0.0021008 k( 185) = ( 0.3562622 0.4071046 0.4195987), wk = 0.0021008 k( 186) = ( 0.3485174 0.3982545 0.4195987), wk = 0.0021008 k( 187) = ( 0.3407726 0.3894044 0.4195987), wk = 0.0021008 k( 188) = ( 0.3330278 0.3805543 0.4195987), wk = 0.0021008 k( 189) = ( 0.3252829 0.3717042 0.4195987), wk = 0.0021008 k( 190) = ( 0.3175381 0.3628541 0.4195987), wk = 0.0021008 k( 191) = ( 0.3097933 0.3540040 0.4195987), wk = 0.0021008 k( 192) = ( 0.3020484 0.3451539 0.4195987), wk = 0.0021008 k( 193) = ( 0.2943036 0.3363038 0.4195987), wk = 0.0021008 k( 194) = ( 0.2865588 0.3274537 0.4195987), wk = 0.0021008 k( 195) = ( 0.2788139 0.3186036 0.4195987), wk = 0.0021008 k( 196) = ( 0.2710691 0.3097535 0.4195987), wk = 0.0021008 k( 197) = ( 0.2633243 0.3009034 0.4195987), wk = 0.0021008 k( 198) = ( 0.2555794 0.2920533 0.4195987), wk = 0.0021008 k( 199) = ( 0.2478346 0.2832032 0.4195987), wk = 0.0021008 k( 200) = ( 0.2400898 0.2743531 0.4195987), wk = 0.0021008 k( 201) = ( 0.2323449 0.2655030 0.4195987), wk = 0.0021008 k( 202) = ( 0.2246001 0.2566529 0.4195987), wk = 0.0021008 k( 203) = ( 0.2168553 0.2478028 0.4195987), wk = 0.0021008 k( 204) = ( 0.2091105 0.2389527 0.4195987), wk = 0.0021008 k( 205) = ( 0.2013656 0.2301026 0.4195987), wk = 0.0021008 k( 206) = ( 0.1936208 0.2212525 0.4195987), wk = 0.0021008 k( 207) = ( 0.1858760 0.2124024 0.4195987), wk = 0.0021008 k( 208) = ( 0.1781311 0.2035523 0.4195987), wk = 0.0021008 k( 209) = ( 0.1703863 0.1947022 0.4195987), wk = 0.0021008 k( 210) = ( 0.1626415 0.1858521 0.4195987), wk = 0.0021008 k( 211) = ( 0.1548966 0.1770020 0.4195987), wk = 0.0021008 k( 212) = ( 0.1471518 0.1681519 0.4195987), wk = 0.0021008 k( 213) = ( 0.1394070 0.1593018 0.4195987), wk = 0.0021008 k( 214) = ( 0.1316621 0.1504517 0.4195987), wk = 0.0021008 k( 215) = ( 0.1239173 0.1416016 0.4195987), wk = 0.0021008 k( 216) = ( 0.1161725 0.1327515 0.4195987), wk = 0.0021008 k( 217) = ( 0.1084276 0.1239014 0.4195987), wk = 0.0021008 k( 218) = ( 0.1006828 0.1150513 0.4195987), wk = 0.0021008 k( 219) = ( 0.0929380 0.1062012 0.4195987), wk = 0.0021008 k( 220) = ( 0.0851931 0.0973511 0.4195987), wk = 0.0021008 k( 221) = ( 0.0774483 0.0885010 0.4195987), wk = 0.0021008 k( 222) = ( 0.0697035 0.0796509 0.4195987), wk = 0.0021008 k( 223) = ( 0.0619586 0.0708008 0.4195987), wk = 0.0021008 k( 224) = ( 0.0542138 0.0619507 0.4195987), wk = 0.0021008 k( 225) = ( 0.0464690 0.0531006 0.4195987), wk = 0.0021008 k( 226) = ( 0.0387242 0.0442505 0.4195987), wk = 0.0021008 k( 227) = ( 0.0309793 0.0354004 0.4195987), wk = 0.0021008 k( 228) = ( 0.0232345 0.0265503 0.4195987), wk = 0.0021008 k( 229) = ( 0.0154897 0.0177002 0.4195987), wk = 0.0021008 k( 230) = ( 0.0077448 0.0088501 0.4195987), wk = 0.0021008 k( 231) = ( 0.0000000 0.0000000 0.4195987), wk = 0.0021008 k( 232) = ( 0.0000000 0.0000000 0.4195987), wk = 0.0021008 k( 233) = ( 0.0000000 0.0000000 0.4079431), wk = 0.0021008 k( 234) = ( 0.0000000 0.0000000 0.3962876), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.3846321), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.3729766), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.3613211), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.3496656), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.3380100), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.3263545), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.3146990), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.3030435), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.2913880), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.2797324), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.2680769), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.2564214), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.2447659), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.2331104), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.2214548), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.2097993), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.1981438), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.1864883), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.1748328), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.1631773), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.1515217), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.1398662), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.1282107), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.1165552), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.1048997), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.0932441), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.0815886), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.0699331), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.0582776), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.0466221), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.0349666), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.0233110), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.0116555), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 270) = ( -0.0087719 0.0076764 0.0000000), wk = 0.0021008 k( 271) = ( -0.0175439 0.0153528 0.0000000), wk = 0.0021008 k( 272) = ( -0.0263158 0.0230293 0.0000000), wk = 0.0021008 k( 273) = ( -0.0350877 0.0307057 0.0000000), wk = 0.0021008 k( 274) = ( -0.0438597 0.0383821 0.0000000), wk = 0.0021008 k( 275) = ( -0.0526316 0.0460585 0.0000000), wk = 0.0021008 k( 276) = ( -0.0614035 0.0537350 0.0000000), wk = 0.0021008 k( 277) = ( -0.0701754 0.0614114 0.0000000), wk = 0.0021008 k( 278) = ( -0.0789474 0.0690878 0.0000000), wk = 0.0021008 k( 279) = ( -0.0877193 0.0767642 0.0000000), wk = 0.0021008 k( 280) = ( -0.0964912 0.0844407 0.0000000), wk = 0.0021008 k( 281) = ( -0.1052632 0.0921171 0.0000000), wk = 0.0021008 k( 282) = ( -0.1140351 0.0997935 0.0000000), wk = 0.0021008 k( 283) = ( -0.1228070 0.1074699 0.0000000), wk = 0.0021008 k( 284) = ( -0.1315790 0.1151464 0.0000000), wk = 0.0021008 k( 285) = ( -0.1403509 0.1228228 0.0000000), wk = 0.0021008 k( 286) = ( -0.1491228 0.1304992 0.0000000), wk = 0.0021008 k( 287) = ( -0.1578947 0.1381756 0.0000000), wk = 0.0021008 k( 288) = ( -0.1666667 0.1458521 0.0000000), wk = 0.0021008 k( 289) = ( -0.1754386 0.1535285 0.0000000), wk = 0.0021008 k( 290) = ( -0.1842105 0.1612049 0.0000000), wk = 0.0021008 k( 291) = ( -0.1929825 0.1688813 0.0000000), wk = 0.0021008 k( 292) = ( -0.2017544 0.1765578 0.0000000), wk = 0.0021008 k( 293) = ( -0.2105263 0.1842342 0.0000000), wk = 0.0021008 k( 294) = ( -0.2192983 0.1919106 0.0000000), wk = 0.0021008 k( 295) = ( -0.2280702 0.1995870 0.0000000), wk = 0.0021008 k( 296) = ( -0.2368421 0.2072634 0.0000000), wk = 0.0021008 k( 297) = ( -0.2456140 0.2149399 0.0000000), wk = 0.0021008 k( 298) = ( -0.2543860 0.2226163 0.0000000), wk = 0.0021008 k( 299) = ( -0.2631579 0.2302927 0.0000000), wk = 0.0021008 k( 300) = ( -0.2719298 0.2379691 0.0000000), wk = 0.0021008 k( 301) = ( -0.2807018 0.2456456 0.0000000), wk = 0.0021008 k( 302) = ( -0.2894737 0.2533220 0.0000000), wk = 0.0021008 k( 303) = ( -0.2982456 0.2609984 0.0000000), wk = 0.0021008 k( 304) = ( -0.3070175 0.2686748 0.0000000), wk = 0.0021008 k( 305) = ( -0.3157895 0.2763513 0.0000000), wk = 0.0021008 k( 306) = ( -0.3245614 0.2840277 0.0000000), wk = 0.0021008 k( 307) = ( -0.3333333 0.2917041 0.0000000), wk = 0.0021008 k( 308) = ( -0.3421053 0.2993805 0.0000000), wk = 0.0021008 k( 309) = ( -0.3508772 0.3070569 0.0000000), wk = 0.0021008 k( 310) = ( -0.3596491 0.3147334 0.0000000), wk = 0.0021008 k( 311) = ( -0.3684211 0.3224098 0.0000000), wk = 0.0021008 k( 312) = ( -0.3771930 0.3300862 0.0000000), wk = 0.0021008 k( 313) = ( -0.3859649 0.3377626 0.0000000), wk = 0.0021008 k( 314) = ( -0.3947368 0.3454391 0.0000000), wk = 0.0021008 k( 315) = ( -0.4035088 0.3531155 0.0000000), wk = 0.0021008 k( 316) = ( -0.4122807 0.3607919 0.0000000), wk = 0.0021008 k( 317) = ( -0.4210526 0.3684683 0.0000000), wk = 0.0021008 k( 318) = ( -0.4298246 0.3761448 0.0000000), wk = 0.0021008 k( 319) = ( -0.4385965 0.3838212 0.0000000), wk = 0.0021008 k( 320) = ( -0.4473684 0.3914976 0.0000000), wk = 0.0021008 k( 321) = ( -0.4561404 0.3991740 0.0000000), wk = 0.0021008 k( 322) = ( -0.4649123 0.4068505 0.0000000), wk = 0.0021008 k( 323) = ( -0.4736842 0.4145269 0.0000000), wk = 0.0021008 k( 324) = ( -0.4824561 0.4222033 0.0000000), wk = 0.0021008 k( 325) = ( -0.4912281 0.4298797 0.0000000), wk = 0.0021008 k( 326) = ( -0.5000000 0.4375562 0.0000000), wk = 0.0021008 k( 327) = ( -0.5000000 0.4375562 0.0000000), wk = 0.0021008 k( 328) = ( -0.4926819 0.4459186 -0.0000000), wk = 0.0021008 k( 329) = ( -0.4853638 0.4542810 -0.0000000), wk = 0.0021008 k( 330) = ( -0.4780458 0.4626435 -0.0000000), wk = 0.0021008 k( 331) = ( -0.4707277 0.4710059 -0.0000000), wk = 0.0021008 k( 332) = ( -0.4634096 0.4793684 -0.0000000), wk = 0.0021008 k( 333) = ( -0.4560915 0.4877308 -0.0000000), wk = 0.0021008 k( 334) = ( -0.4487735 0.4960933 -0.0000000), wk = 0.0021008 k( 335) = ( -0.4414554 0.5044557 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4414554 0.5044557 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4414554 0.5044557 0.0116555), wk = 0.0021008 k( 338) = ( -0.4414554 0.5044557 0.0233110), wk = 0.0021008 k( 339) = ( -0.4414554 0.5044557 0.0349666), wk = 0.0021008 k( 340) = ( -0.4414554 0.5044557 0.0466221), wk = 0.0021008 k( 341) = ( -0.4414554 0.5044557 0.0582776), wk = 0.0021008 k( 342) = ( -0.4414554 0.5044557 0.0699331), wk = 0.0021008 k( 343) = ( -0.4414554 0.5044557 0.0815886), wk = 0.0021008 k( 344) = ( -0.4414554 0.5044557 0.0932441), wk = 0.0021008 k( 345) = ( -0.4414554 0.5044557 0.1048997), wk = 0.0021008 k( 346) = ( -0.4414554 0.5044557 0.1165552), wk = 0.0021008 k( 347) = ( -0.4414554 0.5044557 0.1282107), wk = 0.0021008 k( 348) = ( -0.4414554 0.5044557 0.1398662), wk = 0.0021008 k( 349) = ( -0.4414554 0.5044557 0.1515217), wk = 0.0021008 k( 350) = ( -0.4414554 0.5044557 0.1631773), wk = 0.0021008 k( 351) = ( -0.4414554 0.5044557 0.1748328), wk = 0.0021008 k( 352) = ( -0.4414554 0.5044557 0.1864883), wk = 0.0021008 k( 353) = ( -0.4414554 0.5044557 0.1981438), wk = 0.0021008 k( 354) = ( -0.4414554 0.5044557 0.2097993), wk = 0.0021008 k( 355) = ( -0.4414554 0.5044557 0.2214548), wk = 0.0021008 k( 356) = ( -0.4414554 0.5044557 0.2331104), wk = 0.0021008 k( 357) = ( -0.4414554 0.5044557 0.2447659), wk = 0.0021008 k( 358) = ( -0.4414554 0.5044557 0.2564214), wk = 0.0021008 k( 359) = ( -0.4414554 0.5044557 0.2680769), wk = 0.0021008 k( 360) = ( -0.4414554 0.5044557 0.2797324), wk = 0.0021008 k( 361) = ( -0.4414554 0.5044557 0.2913880), wk = 0.0021008 k( 362) = ( -0.4414554 0.5044557 0.3030435), wk = 0.0021008 k( 363) = ( -0.4414554 0.5044557 0.3146990), wk = 0.0021008 k( 364) = ( -0.4414554 0.5044557 0.3263545), wk = 0.0021008 k( 365) = ( -0.4414554 0.5044557 0.3380100), wk = 0.0021008 k( 366) = ( -0.4414554 0.5044557 0.3496656), wk = 0.0021008 k( 367) = ( -0.4414554 0.5044557 0.3613211), wk = 0.0021008 k( 368) = ( -0.4414554 0.5044557 0.3729766), wk = 0.0021008 k( 369) = ( -0.4414554 0.5044557 0.3846321), wk = 0.0021008 k( 370) = ( -0.4414554 0.5044557 0.3962876), wk = 0.0021008 k( 371) = ( -0.4414554 0.5044557 0.4079431), wk = 0.0021008 k( 372) = ( -0.4414554 0.5044557 0.4195987), wk = 0.0021008 k( 373) = ( -0.4414554 0.5044557 0.4195987), wk = 0.0021008 k( 374) = ( -0.4487735 0.4960933 0.4195987), wk = 0.0021008 k( 375) = ( -0.4560915 0.4877308 0.4195987), wk = 0.0021008 k( 376) = ( -0.4634096 0.4793684 0.4195987), wk = 0.0021008 k( 377) = ( -0.4707277 0.4710059 0.4195987), wk = 0.0021008 k( 378) = ( -0.4780458 0.4626435 0.4195987), wk = 0.0021008 k( 379) = ( -0.4853638 0.4542810 0.4195987), wk = 0.0021008 k( 380) = ( -0.4926819 0.4459186 0.4195987), wk = 0.0021008 k( 381) = ( -0.5000000 0.4375562 0.4195987), wk = 0.0021008 k( 382) = ( -0.5000000 0.4375562 0.4195987), wk = 0.0021008 k( 383) = ( -0.5000000 0.4375562 0.4079431), wk = 0.0021008 k( 384) = ( -0.5000000 0.4375562 0.3962876), wk = 0.0021008 k( 385) = ( -0.5000000 0.4375562 0.3846321), wk = 0.0021008 k( 386) = ( -0.5000000 0.4375562 0.3729766), wk = 0.0021008 k( 387) = ( -0.5000000 0.4375562 0.3613211), wk = 0.0021008 k( 388) = ( -0.5000000 0.4375562 0.3496656), wk = 0.0021008 k( 389) = ( -0.5000000 0.4375562 0.3380100), wk = 0.0021008 k( 390) = ( -0.5000000 0.4375562 0.3263545), wk = 0.0021008 k( 391) = ( -0.5000000 0.4375562 0.3146990), wk = 0.0021008 k( 392) = ( -0.5000000 0.4375562 0.3030435), wk = 0.0021008 k( 393) = ( -0.5000000 0.4375562 0.2913880), wk = 0.0021008 k( 394) = ( -0.5000000 0.4375562 0.2797324), wk = 0.0021008 k( 395) = ( -0.5000000 0.4375562 0.2680769), wk = 0.0021008 k( 396) = ( -0.5000000 0.4375562 0.2564214), wk = 0.0021008 k( 397) = ( -0.5000000 0.4375562 0.2447659), wk = 0.0021008 k( 398) = ( -0.5000000 0.4375562 0.2331104), wk = 0.0021008 k( 399) = ( -0.5000000 0.4375562 0.2214548), wk = 0.0021008 k( 400) = ( -0.5000000 0.4375562 0.2097993), wk = 0.0021008 k( 401) = ( -0.5000000 0.4375562 0.1981438), wk = 0.0021008 k( 402) = ( -0.5000000 0.4375562 0.1864883), wk = 0.0021008 k( 403) = ( -0.5000000 0.4375562 0.1748328), wk = 0.0021008 k( 404) = ( -0.5000000 0.4375562 0.1631773), wk = 0.0021008 k( 405) = ( -0.5000000 0.4375562 0.1515217), wk = 0.0021008 k( 406) = ( -0.5000000 0.4375562 0.1398662), wk = 0.0021008 k( 407) = ( -0.5000000 0.4375562 0.1282107), wk = 0.0021008 k( 408) = ( -0.5000000 0.4375562 0.1165552), wk = 0.0021008 k( 409) = ( -0.5000000 0.4375562 0.1048997), wk = 0.0021008 k( 410) = ( -0.5000000 0.4375562 0.0932441), wk = 0.0021008 k( 411) = ( -0.5000000 0.4375562 0.0815886), wk = 0.0021008 k( 412) = ( -0.5000000 0.4375562 0.0699331), wk = 0.0021008 k( 413) = ( -0.5000000 0.4375562 0.0582776), wk = 0.0021008 k( 414) = ( -0.5000000 0.4375562 0.0466221), wk = 0.0021008 k( 415) = ( -0.5000000 0.4375562 0.0349666), wk = 0.0021008 k( 416) = ( -0.5000000 0.4375562 0.0233110), wk = 0.0021008 k( 417) = ( -0.5000000 0.4375562 0.0116555), wk = 0.0021008 k( 418) = ( -0.5000000 0.4375562 0.0000000), wk = 0.0021008 k( 419) = ( 0.0000000 0.0000000 0.4195987), wk = 0.0021008 k( 420) = ( -0.0087719 0.0076764 0.4195987), wk = 0.0021008 k( 421) = ( -0.0175439 0.0153528 0.4195987), wk = 0.0021008 k( 422) = ( -0.0263158 0.0230293 0.4195987), wk = 0.0021008 k( 423) = ( -0.0350877 0.0307057 0.4195987), wk = 0.0021008 k( 424) = ( -0.0438597 0.0383821 0.4195987), wk = 0.0021008 k( 425) = ( -0.0526316 0.0460585 0.4195987), wk = 0.0021008 k( 426) = ( -0.0614035 0.0537350 0.4195987), wk = 0.0021008 k( 427) = ( -0.0701754 0.0614114 0.4195987), wk = 0.0021008 k( 428) = ( -0.0789474 0.0690878 0.4195987), wk = 0.0021008 k( 429) = ( -0.0877193 0.0767642 0.4195987), wk = 0.0021008 k( 430) = ( -0.0964912 0.0844407 0.4195987), wk = 0.0021008 k( 431) = ( -0.1052632 0.0921171 0.4195987), wk = 0.0021008 k( 432) = ( -0.1140351 0.0997935 0.4195987), wk = 0.0021008 k( 433) = ( -0.1228070 0.1074699 0.4195987), wk = 0.0021008 k( 434) = ( -0.1315790 0.1151464 0.4195987), wk = 0.0021008 k( 435) = ( -0.1403509 0.1228228 0.4195987), wk = 0.0021008 k( 436) = ( -0.1491228 0.1304992 0.4195987), wk = 0.0021008 k( 437) = ( -0.1578947 0.1381756 0.4195987), wk = 0.0021008 k( 438) = ( -0.1666667 0.1458521 0.4195987), wk = 0.0021008 k( 439) = ( -0.1754386 0.1535285 0.4195987), wk = 0.0021008 k( 440) = ( -0.1842105 0.1612049 0.4195987), wk = 0.0021008 k( 441) = ( -0.1929825 0.1688813 0.4195987), wk = 0.0021008 k( 442) = ( -0.2017544 0.1765578 0.4195987), wk = 0.0021008 k( 443) = ( -0.2105263 0.1842342 0.4195987), wk = 0.0021008 k( 444) = ( -0.2192983 0.1919106 0.4195987), wk = 0.0021008 k( 445) = ( -0.2280702 0.1995870 0.4195987), wk = 0.0021008 k( 446) = ( -0.2368421 0.2072634 0.4195987), wk = 0.0021008 k( 447) = ( -0.2456140 0.2149399 0.4195987), wk = 0.0021008 k( 448) = ( -0.2543860 0.2226163 0.4195987), wk = 0.0021008 k( 449) = ( -0.2631579 0.2302927 0.4195987), wk = 0.0021008 k( 450) = ( -0.2719298 0.2379691 0.4195987), wk = 0.0021008 k( 451) = ( -0.2807018 0.2456456 0.4195987), wk = 0.0021008 k( 452) = ( -0.2894737 0.2533220 0.4195987), wk = 0.0021008 k( 453) = ( -0.2982456 0.2609984 0.4195987), wk = 0.0021008 k( 454) = ( -0.3070175 0.2686748 0.4195987), wk = 0.0021008 k( 455) = ( -0.3157895 0.2763513 0.4195987), wk = 0.0021008 k( 456) = ( -0.3245614 0.2840277 0.4195987), wk = 0.0021008 k( 457) = ( -0.3333333 0.2917041 0.4195987), wk = 0.0021008 k( 458) = ( -0.3421053 0.2993805 0.4195987), wk = 0.0021008 k( 459) = ( -0.3508772 0.3070569 0.4195987), wk = 0.0021008 k( 460) = ( -0.3596491 0.3147334 0.4195987), wk = 0.0021008 k( 461) = ( -0.3684211 0.3224098 0.4195987), wk = 0.0021008 k( 462) = ( -0.3771930 0.3300862 0.4195987), wk = 0.0021008 k( 463) = ( -0.3859649 0.3377626 0.4195987), wk = 0.0021008 k( 464) = ( -0.3947368 0.3454391 0.4195987), wk = 0.0021008 k( 465) = ( -0.4035088 0.3531155 0.4195987), wk = 0.0021008 k( 466) = ( -0.4122807 0.3607919 0.4195987), wk = 0.0021008 k( 467) = ( -0.4210526 0.3684683 0.4195987), wk = 0.0021008 k( 468) = ( -0.4298246 0.3761448 0.4195987), wk = 0.0021008 k( 469) = ( -0.4385965 0.3838212 0.4195987), wk = 0.0021008 k( 470) = ( -0.4473684 0.3914976 0.4195987), wk = 0.0021008 k( 471) = ( -0.4561404 0.3991740 0.4195987), wk = 0.0021008 k( 472) = ( -0.4649123 0.4068505 0.4195987), wk = 0.0021008 k( 473) = ( -0.4736842 0.4145269 0.4195987), wk = 0.0021008 k( 474) = ( -0.4824561 0.4222033 0.4195987), wk = 0.0021008 k( 475) = ( -0.4912281 0.4298797 0.4195987), wk = 0.0021008 k( 476) = ( -0.5000000 0.4375562 0.4195987), wk = 0.0021008 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 2) = ( 0.0077448 0.0077448 -0.0000000), wk = 0.0021008 k( 3) = ( 0.0154897 0.0154897 -0.0000000), wk = 0.0021008 k( 4) = ( 0.0232345 0.0232345 0.0000000), wk = 0.0021008 k( 5) = ( 0.0309793 0.0309793 -0.0000000), wk = 0.0021008 k( 6) = ( 0.0387242 0.0387242 0.0000000), wk = 0.0021008 k( 7) = ( 0.0464690 0.0464690 0.0000000), wk = 0.0021008 k( 8) = ( 0.0542138 0.0542138 0.0000000), wk = 0.0021008 k( 9) = ( 0.0619586 0.0619586 0.0000000), wk = 0.0021008 k( 10) = ( 0.0697035 0.0697035 0.0000000), wk = 0.0021008 k( 11) = ( 0.0774483 0.0774483 0.0000000), wk = 0.0021008 k( 12) = ( 0.0851931 0.0851931 0.0000000), wk = 0.0021008 k( 13) = ( 0.0929380 0.0929380 0.0000000), wk = 0.0021008 k( 14) = ( 0.1006828 0.1006828 -0.0000000), wk = 0.0021008 k( 15) = ( 0.1084276 0.1084276 0.0000000), wk = 0.0021008 k( 16) = ( 0.1161725 0.1161725 0.0000000), wk = 0.0021008 k( 17) = ( 0.1239173 0.1239173 0.0000000), wk = 0.0021008 k( 18) = ( 0.1316621 0.1316621 -0.0000000), wk = 0.0021008 k( 19) = ( 0.1394070 0.1394070 0.0000000), wk = 0.0021008 k( 20) = ( 0.1471518 0.1471518 0.0000000), wk = 0.0021008 k( 21) = ( 0.1548966 0.1548966 0.0000000), wk = 0.0021008 k( 22) = ( 0.1626415 0.1626415 -0.0000000), wk = 0.0021008 k( 23) = ( 0.1703863 0.1703863 0.0000000), wk = 0.0021008 k( 24) = ( 0.1781311 0.1781311 -0.0000000), wk = 0.0021008 k( 25) = ( 0.1858760 0.1858759 -0.0000000), wk = 0.0021008 k( 26) = ( 0.1936208 0.1936208 0.0000000), wk = 0.0021008 k( 27) = ( 0.2013656 0.2013656 -0.0000000), wk = 0.0021008 k( 28) = ( 0.2091105 0.2091105 0.0000000), wk = 0.0021008 k( 29) = ( 0.2168553 0.2168553 0.0000000), wk = 0.0021008 k( 30) = ( 0.2246001 0.2246001 -0.0000000), wk = 0.0021008 k( 31) = ( 0.2323449 0.2323449 0.0000000), wk = 0.0021008 k( 32) = ( 0.2400898 0.2400898 -0.0000000), wk = 0.0021008 k( 33) = ( 0.2478346 0.2478346 0.0000000), wk = 0.0021008 k( 34) = ( 0.2555794 0.2555794 0.0000000), wk = 0.0021008 k( 35) = ( 0.2633243 0.2633243 0.0000000), wk = 0.0021008 k( 36) = ( 0.2710691 0.2710691 -0.0000000), wk = 0.0021008 k( 37) = ( 0.2788139 0.2788139 0.0000000), wk = 0.0021008 k( 38) = ( 0.2865588 0.2865588 0.0000000), wk = 0.0021008 k( 39) = ( 0.2943036 0.2943036 0.0000000), wk = 0.0021008 k( 40) = ( 0.3020484 0.3020484 -0.0000000), wk = 0.0021008 k( 41) = ( 0.3097933 0.3097932 -0.0000000), wk = 0.0021008 k( 42) = ( 0.3175381 0.3175381 -0.0000000), wk = 0.0021008 k( 43) = ( 0.3252829 0.3252829 -0.0000000), wk = 0.0021008 k( 44) = ( 0.3330278 0.3330278 0.0000000), wk = 0.0021008 k( 45) = ( 0.3407726 0.3407726 0.0000000), wk = 0.0021008 k( 46) = ( 0.3485174 0.3485174 0.0000000), wk = 0.0021008 k( 47) = ( 0.3562622 0.3562622 -0.0000000), wk = 0.0021008 k( 48) = ( 0.3640071 0.3640071 0.0000000), wk = 0.0021008 k( 49) = ( 0.3717519 0.3717519 -0.0000000), wk = 0.0021008 k( 50) = ( 0.3794967 0.3794967 -0.0000000), wk = 0.0021008 k( 51) = ( 0.3872416 0.3872416 -0.0000000), wk = 0.0021008 k( 52) = ( 0.3949864 0.3949864 0.0000000), wk = 0.0021008 k( 53) = ( 0.4027312 0.4027312 0.0000000), wk = 0.0021008 k( 54) = ( 0.4104761 0.4104761 -0.0000000), wk = 0.0021008 k( 55) = ( 0.4182209 0.4182209 -0.0000000), wk = 0.0021008 k( 56) = ( 0.4259657 0.4259657 0.0000000), wk = 0.0021008 k( 57) = ( 0.4337106 0.4337106 0.0000000), wk = 0.0021008 k( 58) = ( 0.4414554 0.4414554 -0.0000000), wk = 0.0021008 k( 59) = ( 0.4414554 0.4414554 -0.0000000), wk = 0.0021008 k( 60) = ( 0.4298381 0.4429960 0.0000000), wk = 0.0021008 k( 61) = ( 0.4182209 0.4445367 0.0000000), wk = 0.0021008 k( 62) = ( 0.4066036 0.4460773 0.0000000), wk = 0.0021008 k( 63) = ( 0.3949864 0.4476180 -0.0000000), wk = 0.0021008 k( 64) = ( 0.3833691 0.4491586 0.0000000), wk = 0.0021008 k( 65) = ( 0.3717519 0.4506993 -0.0000000), wk = 0.0021008 k( 66) = ( 0.3601347 0.4522399 -0.0000000), wk = 0.0021008 k( 67) = ( 0.3485174 0.4537806 0.0000000), wk = 0.0021008 k( 68) = ( 0.3369002 0.4553212 0.0000000), wk = 0.0021008 k( 69) = ( 0.3252829 0.4568619 -0.0000000), wk = 0.0021008 k( 70) = ( 0.3136657 0.4584025 -0.0000000), wk = 0.0021008 k( 71) = ( 0.3020484 0.4599432 0.0000000), wk = 0.0021008 k( 72) = ( 0.2904312 0.4614838 0.0000000), wk = 0.0021008 k( 73) = ( 0.2788139 0.4630245 0.0000000), wk = 0.0021008 k( 74) = ( 0.2671967 0.4645651 -0.0000000), wk = 0.0021008 k( 75) = ( 0.2555794 0.4661057 0.0000000), wk = 0.0021008 k( 76) = ( 0.2439622 0.4676464 0.0000000), wk = 0.0021008 k( 77) = ( 0.2323449 0.4691870 0.0000000), wk = 0.0021008 k( 78) = ( 0.2207277 0.4707277 -0.0000000), wk = 0.0021008 k( 79) = ( 0.2091105 0.4722683 0.0000000), wk = 0.0021008 k( 80) = ( 0.1974932 0.4738090 -0.0000000), wk = 0.0021008 k( 81) = ( 0.1858760 0.4753496 0.0000000), wk = 0.0021008 k( 82) = ( 0.1742587 0.4768903 0.0000000), wk = 0.0021008 k( 83) = ( 0.1626415 0.4784309 -0.0000000), wk = 0.0021008 k( 84) = ( 0.1510242 0.4799716 -0.0000000), wk = 0.0021008 k( 85) = ( 0.1394070 0.4815122 -0.0000000), wk = 0.0021008 k( 86) = ( 0.1277897 0.4830529 0.0000000), wk = 0.0021008 k( 87) = ( 0.1161725 0.4845935 -0.0000000), wk = 0.0021008 k( 88) = ( 0.1045552 0.4861342 -0.0000000), wk = 0.0021008 k( 89) = ( 0.0929380 0.4876748 0.0000000), wk = 0.0021008 k( 90) = ( 0.0813207 0.4892155 -0.0000000), wk = 0.0021008 k( 91) = ( 0.0697035 0.4907561 -0.0000000), wk = 0.0021008 k( 92) = ( 0.0580862 0.4922968 0.0000000), wk = 0.0021008 k( 93) = ( 0.0464690 0.4938374 -0.0000000), wk = 0.0021008 k( 94) = ( 0.0348517 0.4953781 -0.0000000), wk = 0.0021008 k( 95) = ( 0.0232345 0.4969187 -0.0000000), wk = 0.0021008 k( 96) = ( 0.0116173 0.4984594 0.0000000), wk = 0.0021008 k( 97) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021008 k( 98) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021008 k( 99) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0021008 k( 100) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0021008 k( 101) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0021008 k( 102) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0021008 k( 103) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0021008 k( 104) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0021008 k( 105) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0021008 k( 106) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0021008 k( 107) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021008 k( 108) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0021008 k( 109) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0021008 k( 110) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0021008 k( 111) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0021008 k( 112) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0021008 k( 113) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0021008 k( 114) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0021008 k( 115) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0021008 k( 116) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021008 k( 117) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0021008 k( 118) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0021008 k( 119) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0021008 k( 120) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0021008 k( 121) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0021008 k( 122) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0021008 k( 123) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0021008 k( 124) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0021008 k( 125) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021008 k( 126) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0021008 k( 127) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0021008 k( 128) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0021008 k( 129) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0021008 k( 130) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0021008 k( 131) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0021008 k( 132) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0021008 k( 133) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0021008 k( 134) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 135) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021008 k( 136) = ( 0.0116173 0.4984594 0.5000000), wk = 0.0021008 k( 137) = ( 0.0232345 0.4969187 0.5000000), wk = 0.0021008 k( 138) = ( 0.0348517 0.4953781 0.5000000), wk = 0.0021008 k( 139) = ( 0.0464690 0.4938374 0.5000000), wk = 0.0021008 k( 140) = ( 0.0580862 0.4922968 0.5000000), wk = 0.0021008 k( 141) = ( 0.0697035 0.4907561 0.5000000), wk = 0.0021008 k( 142) = ( 0.0813207 0.4892155 0.5000000), wk = 0.0021008 k( 143) = ( 0.0929380 0.4876748 0.5000000), wk = 0.0021008 k( 144) = ( 0.1045552 0.4861342 0.5000000), wk = 0.0021008 k( 145) = ( 0.1161725 0.4845935 0.5000000), wk = 0.0021008 k( 146) = ( 0.1277897 0.4830529 0.5000000), wk = 0.0021008 k( 147) = ( 0.1394070 0.4815122 0.5000000), wk = 0.0021008 k( 148) = ( 0.1510242 0.4799716 0.5000000), wk = 0.0021008 k( 149) = ( 0.1626415 0.4784309 0.5000000), wk = 0.0021008 k( 150) = ( 0.1742587 0.4768903 0.5000000), wk = 0.0021008 k( 151) = ( 0.1858760 0.4753496 0.5000000), wk = 0.0021008 k( 152) = ( 0.1974932 0.4738090 0.5000000), wk = 0.0021008 k( 153) = ( 0.2091105 0.4722683 0.5000000), wk = 0.0021008 k( 154) = ( 0.2207277 0.4707277 0.5000000), wk = 0.0021008 k( 155) = ( 0.2323449 0.4691870 0.5000000), wk = 0.0021008 k( 156) = ( 0.2439622 0.4676464 0.5000000), wk = 0.0021008 k( 157) = ( 0.2555794 0.4661057 0.5000000), wk = 0.0021008 k( 158) = ( 0.2671967 0.4645651 0.5000000), wk = 0.0021008 k( 159) = ( 0.2788139 0.4630245 0.5000000), wk = 0.0021008 k( 160) = ( 0.2904312 0.4614838 0.5000000), wk = 0.0021008 k( 161) = ( 0.3020484 0.4599432 0.5000000), wk = 0.0021008 k( 162) = ( 0.3136657 0.4584025 0.5000000), wk = 0.0021008 k( 163) = ( 0.3252829 0.4568619 0.5000000), wk = 0.0021008 k( 164) = ( 0.3369002 0.4553212 0.5000000), wk = 0.0021008 k( 165) = ( 0.3485174 0.4537806 0.5000000), wk = 0.0021008 k( 166) = ( 0.3601347 0.4522399 0.5000000), wk = 0.0021008 k( 167) = ( 0.3717519 0.4506993 0.5000000), wk = 0.0021008 k( 168) = ( 0.3833691 0.4491586 0.5000000), wk = 0.0021008 k( 169) = ( 0.3949864 0.4476180 0.5000000), wk = 0.0021008 k( 170) = ( 0.4066036 0.4460773 0.5000000), wk = 0.0021008 k( 171) = ( 0.4182209 0.4445367 0.5000000), wk = 0.0021008 k( 172) = ( 0.4298381 0.4429960 0.5000000), wk = 0.0021008 k( 173) = ( 0.4414554 0.4414554 0.5000000), wk = 0.0021008 k( 174) = ( 0.4414554 0.4414554 0.5000000), wk = 0.0021008 k( 175) = ( 0.4337106 0.4337106 0.5000000), wk = 0.0021008 k( 176) = ( 0.4259657 0.4259657 0.5000000), wk = 0.0021008 k( 177) = ( 0.4182209 0.4182209 0.5000000), wk = 0.0021008 k( 178) = ( 0.4104761 0.4104761 0.5000000), wk = 0.0021008 k( 179) = ( 0.4027312 0.4027312 0.5000000), wk = 0.0021008 k( 180) = ( 0.3949864 0.3949864 0.5000000), wk = 0.0021008 k( 181) = ( 0.3872416 0.3872416 0.5000000), wk = 0.0021008 k( 182) = ( 0.3794967 0.3794967 0.5000000), wk = 0.0021008 k( 183) = ( 0.3717519 0.3717519 0.5000000), wk = 0.0021008 k( 184) = ( 0.3640071 0.3640071 0.5000000), wk = 0.0021008 k( 185) = ( 0.3562622 0.3562622 0.5000000), wk = 0.0021008 k( 186) = ( 0.3485174 0.3485174 0.5000000), wk = 0.0021008 k( 187) = ( 0.3407726 0.3407726 0.5000000), wk = 0.0021008 k( 188) = ( 0.3330278 0.3330278 0.5000000), wk = 0.0021008 k( 189) = ( 0.3252829 0.3252829 0.5000000), wk = 0.0021008 k( 190) = ( 0.3175381 0.3175381 0.5000000), wk = 0.0021008 k( 191) = ( 0.3097933 0.3097932 0.5000000), wk = 0.0021008 k( 192) = ( 0.3020484 0.3020484 0.5000000), wk = 0.0021008 k( 193) = ( 0.2943036 0.2943036 0.5000000), wk = 0.0021008 k( 194) = ( 0.2865588 0.2865588 0.5000000), wk = 0.0021008 k( 195) = ( 0.2788139 0.2788139 0.5000000), wk = 0.0021008 k( 196) = ( 0.2710691 0.2710691 0.5000000), wk = 0.0021008 k( 197) = ( 0.2633243 0.2633243 0.5000000), wk = 0.0021008 k( 198) = ( 0.2555794 0.2555794 0.5000000), wk = 0.0021008 k( 199) = ( 0.2478346 0.2478346 0.5000000), wk = 0.0021008 k( 200) = ( 0.2400898 0.2400898 0.5000000), wk = 0.0021008 k( 201) = ( 0.2323449 0.2323449 0.5000000), wk = 0.0021008 k( 202) = ( 0.2246001 0.2246001 0.5000000), wk = 0.0021008 k( 203) = ( 0.2168553 0.2168553 0.5000000), wk = 0.0021008 k( 204) = ( 0.2091105 0.2091105 0.5000000), wk = 0.0021008 k( 205) = ( 0.2013656 0.2013656 0.5000000), wk = 0.0021008 k( 206) = ( 0.1936208 0.1936208 0.5000000), wk = 0.0021008 k( 207) = ( 0.1858760 0.1858759 0.5000000), wk = 0.0021008 k( 208) = ( 0.1781311 0.1781311 0.5000000), wk = 0.0021008 k( 209) = ( 0.1703863 0.1703863 0.5000000), wk = 0.0021008 k( 210) = ( 0.1626415 0.1626415 0.5000000), wk = 0.0021008 k( 211) = ( 0.1548966 0.1548966 0.5000000), wk = 0.0021008 k( 212) = ( 0.1471518 0.1471518 0.5000000), wk = 0.0021008 k( 213) = ( 0.1394070 0.1394070 0.5000000), wk = 0.0021008 k( 214) = ( 0.1316621 0.1316621 0.5000000), wk = 0.0021008 k( 215) = ( 0.1239173 0.1239173 0.5000000), wk = 0.0021008 k( 216) = ( 0.1161725 0.1161725 0.5000000), wk = 0.0021008 k( 217) = ( 0.1084276 0.1084276 0.5000000), wk = 0.0021008 k( 218) = ( 0.1006828 0.1006828 0.5000000), wk = 0.0021008 k( 219) = ( 0.0929380 0.0929380 0.5000000), wk = 0.0021008 k( 220) = ( 0.0851931 0.0851931 0.5000000), wk = 0.0021008 k( 221) = ( 0.0774483 0.0774483 0.5000000), wk = 0.0021008 k( 222) = ( 0.0697035 0.0697035 0.5000000), wk = 0.0021008 k( 223) = ( 0.0619586 0.0619586 0.5000000), wk = 0.0021008 k( 224) = ( 0.0542138 0.0542138 0.5000000), wk = 0.0021008 k( 225) = ( 0.0464690 0.0464690 0.5000000), wk = 0.0021008 k( 226) = ( 0.0387242 0.0387242 0.5000000), wk = 0.0021008 k( 227) = ( 0.0309793 0.0309793 0.5000000), wk = 0.0021008 k( 228) = ( 0.0232345 0.0232345 0.5000000), wk = 0.0021008 k( 229) = ( 0.0154897 0.0154897 0.5000000), wk = 0.0021008 k( 230) = ( 0.0077448 0.0077448 0.5000000), wk = 0.0021008 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 232) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 233) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0021008 k( 234) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0021008 k( 235) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0021008 k( 236) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0021008 k( 237) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0021008 k( 238) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0021008 k( 239) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0021008 k( 240) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0021008 k( 241) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021008 k( 242) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0021008 k( 243) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0021008 k( 244) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021008 k( 245) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0021008 k( 246) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0021008 k( 247) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0021008 k( 248) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0021008 k( 249) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0021008 k( 250) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021008 k( 251) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0021008 k( 252) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0021008 k( 253) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0021008 k( 254) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0021008 k( 255) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0021008 k( 256) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021008 k( 257) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0021008 k( 258) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0021008 k( 259) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021008 k( 260) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0021008 k( 261) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0021008 k( 262) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0021008 k( 263) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0021008 k( 264) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0021008 k( 265) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0021008 k( 266) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0021008 k( 267) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0021008 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021008 k( 270) = ( -0.0087719 0.0087719 -0.0000000), wk = 0.0021008 k( 271) = ( -0.0175439 0.0175439 -0.0000000), wk = 0.0021008 k( 272) = ( -0.0263158 0.0263158 -0.0000000), wk = 0.0021008 k( 273) = ( -0.0350877 0.0350877 -0.0000000), wk = 0.0021008 k( 274) = ( -0.0438597 0.0438596 -0.0000000), wk = 0.0021008 k( 275) = ( -0.0526316 0.0526316 -0.0000000), wk = 0.0021008 k( 276) = ( -0.0614035 0.0614035 -0.0000000), wk = 0.0021008 k( 277) = ( -0.0701754 0.0701754 -0.0000000), wk = 0.0021008 k( 278) = ( -0.0789474 0.0789474 -0.0000000), wk = 0.0021008 k( 279) = ( -0.0877193 0.0877193 -0.0000000), wk = 0.0021008 k( 280) = ( -0.0964912 0.0964912 -0.0000000), wk = 0.0021008 k( 281) = ( -0.1052632 0.1052632 -0.0000000), wk = 0.0021008 k( 282) = ( -0.1140351 0.1140351 -0.0000000), wk = 0.0021008 k( 283) = ( -0.1228070 0.1228070 -0.0000000), wk = 0.0021008 k( 284) = ( -0.1315790 0.1315790 -0.0000000), wk = 0.0021008 k( 285) = ( -0.1403509 0.1403509 -0.0000000), wk = 0.0021008 k( 286) = ( -0.1491228 0.1491228 -0.0000000), wk = 0.0021008 k( 287) = ( -0.1578947 0.1578947 -0.0000000), wk = 0.0021008 k( 288) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0021008 k( 289) = ( -0.1754386 0.1754386 -0.0000000), wk = 0.0021008 k( 290) = ( -0.1842105 0.1842105 -0.0000000), wk = 0.0021008 k( 291) = ( -0.1929825 0.1929825 -0.0000000), wk = 0.0021008 k( 292) = ( -0.2017544 0.2017544 -0.0000000), wk = 0.0021008 k( 293) = ( -0.2105263 0.2105263 -0.0000000), wk = 0.0021008 k( 294) = ( -0.2192983 0.2192982 -0.0000000), wk = 0.0021008 k( 295) = ( -0.2280702 0.2280702 -0.0000000), wk = 0.0021008 k( 296) = ( -0.2368421 0.2368421 -0.0000000), wk = 0.0021008 k( 297) = ( -0.2456140 0.2456140 -0.0000000), wk = 0.0021008 k( 298) = ( -0.2543860 0.2543860 -0.0000000), wk = 0.0021008 k( 299) = ( -0.2631579 0.2631579 -0.0000000), wk = 0.0021008 k( 300) = ( -0.2719298 0.2719298 -0.0000000), wk = 0.0021008 k( 301) = ( -0.2807018 0.2807017 -0.0000000), wk = 0.0021008 k( 302) = ( -0.2894737 0.2894737 -0.0000000), wk = 0.0021008 k( 303) = ( -0.2982456 0.2982456 -0.0000000), wk = 0.0021008 k( 304) = ( -0.3070175 0.3070175 -0.0000000), wk = 0.0021008 k( 305) = ( -0.3157895 0.3157895 -0.0000000), wk = 0.0021008 k( 306) = ( -0.3245614 0.3245614 -0.0000000), wk = 0.0021008 k( 307) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0021008 k( 308) = ( -0.3421053 0.3421053 -0.0000000), wk = 0.0021008 k( 309) = ( -0.3508772 0.3508772 -0.0000000), wk = 0.0021008 k( 310) = ( -0.3596491 0.3596491 -0.0000000), wk = 0.0021008 k( 311) = ( -0.3684211 0.3684211 -0.0000000), wk = 0.0021008 k( 312) = ( -0.3771930 0.3771930 -0.0000000), wk = 0.0021008 k( 313) = ( -0.3859649 0.3859649 -0.0000000), wk = 0.0021008 k( 314) = ( -0.3947368 0.3947368 -0.0000000), wk = 0.0021008 k( 315) = ( -0.4035088 0.4035088 -0.0000000), wk = 0.0021008 k( 316) = ( -0.4122807 0.4122807 -0.0000000), wk = 0.0021008 k( 317) = ( -0.4210526 0.4210526 -0.0000000), wk = 0.0021008 k( 318) = ( -0.4298246 0.4298246 -0.0000000), wk = 0.0021008 k( 319) = ( -0.4385965 0.4385965 -0.0000000), wk = 0.0021008 k( 320) = ( -0.4473684 0.4473684 -0.0000000), wk = 0.0021008 k( 321) = ( -0.4561404 0.4561404 -0.0000000), wk = 0.0021008 k( 322) = ( -0.4649123 0.4649123 -0.0000000), wk = 0.0021008 k( 323) = ( -0.4736842 0.4736842 -0.0000000), wk = 0.0021008 k( 324) = ( -0.4824561 0.4824561 -0.0000000), wk = 0.0021008 k( 325) = ( -0.4912281 0.4912281 -0.0000000), wk = 0.0021008 k( 326) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 327) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 328) = ( -0.4926819 0.5073181 -0.0000000), wk = 0.0021008 k( 329) = ( -0.4853638 0.5146361 -0.0000000), wk = 0.0021008 k( 330) = ( -0.4780458 0.5219542 -0.0000000), wk = 0.0021008 k( 331) = ( -0.4707277 0.5292723 -0.0000000), wk = 0.0021008 k( 332) = ( -0.4634096 0.5365904 -0.0000000), wk = 0.0021008 k( 333) = ( -0.4560915 0.5439085 -0.0000000), wk = 0.0021008 k( 334) = ( -0.4487735 0.5512265 -0.0000000), wk = 0.0021008 k( 335) = ( -0.4414554 0.5585446 -0.0000000), wk = 0.0021008 k( 336) = ( -0.4414554 0.5585446 -0.0000000), wk = 0.0021008 k( 337) = ( -0.4414554 0.5585446 0.0138889), wk = 0.0021008 k( 338) = ( -0.4414554 0.5585446 0.0277778), wk = 0.0021008 k( 339) = ( -0.4414554 0.5585446 0.0416667), wk = 0.0021008 k( 340) = ( -0.4414554 0.5585446 0.0555556), wk = 0.0021008 k( 341) = ( -0.4414554 0.5585446 0.0694444), wk = 0.0021008 k( 342) = ( -0.4414554 0.5585446 0.0833333), wk = 0.0021008 k( 343) = ( -0.4414554 0.5585446 0.0972222), wk = 0.0021008 k( 344) = ( -0.4414554 0.5585446 0.1111111), wk = 0.0021008 k( 345) = ( -0.4414554 0.5585446 0.1250000), wk = 0.0021008 k( 346) = ( -0.4414554 0.5585446 0.1388889), wk = 0.0021008 k( 347) = ( -0.4414554 0.5585446 0.1527778), wk = 0.0021008 k( 348) = ( -0.4414554 0.5585446 0.1666667), wk = 0.0021008 k( 349) = ( -0.4414554 0.5585446 0.1805556), wk = 0.0021008 k( 350) = ( -0.4414554 0.5585446 0.1944444), wk = 0.0021008 k( 351) = ( -0.4414554 0.5585446 0.2083333), wk = 0.0021008 k( 352) = ( -0.4414554 0.5585446 0.2222222), wk = 0.0021008 k( 353) = ( -0.4414554 0.5585446 0.2361111), wk = 0.0021008 k( 354) = ( -0.4414554 0.5585446 0.2500000), wk = 0.0021008 k( 355) = ( -0.4414554 0.5585446 0.2638889), wk = 0.0021008 k( 356) = ( -0.4414554 0.5585446 0.2777778), wk = 0.0021008 k( 357) = ( -0.4414554 0.5585446 0.2916667), wk = 0.0021008 k( 358) = ( -0.4414554 0.5585446 0.3055556), wk = 0.0021008 k( 359) = ( -0.4414554 0.5585446 0.3194444), wk = 0.0021008 k( 360) = ( -0.4414554 0.5585446 0.3333333), wk = 0.0021008 k( 361) = ( -0.4414554 0.5585446 0.3472222), wk = 0.0021008 k( 362) = ( -0.4414554 0.5585446 0.3611111), wk = 0.0021008 k( 363) = ( -0.4414554 0.5585446 0.3750000), wk = 0.0021008 k( 364) = ( -0.4414554 0.5585446 0.3888889), wk = 0.0021008 k( 365) = ( -0.4414554 0.5585446 0.4027778), wk = 0.0021008 k( 366) = ( -0.4414554 0.5585446 0.4166667), wk = 0.0021008 k( 367) = ( -0.4414554 0.5585446 0.4305556), wk = 0.0021008 k( 368) = ( -0.4414554 0.5585446 0.4444444), wk = 0.0021008 k( 369) = ( -0.4414554 0.5585446 0.4583333), wk = 0.0021008 k( 370) = ( -0.4414554 0.5585446 0.4722222), wk = 0.0021008 k( 371) = ( -0.4414554 0.5585446 0.4861111), wk = 0.0021008 k( 372) = ( -0.4414554 0.5585446 0.5000000), wk = 0.0021008 k( 373) = ( -0.4414554 0.5585446 0.5000000), wk = 0.0021008 k( 374) = ( -0.4487735 0.5512265 0.5000000), wk = 0.0021008 k( 375) = ( -0.4560915 0.5439085 0.5000000), wk = 0.0021008 k( 376) = ( -0.4634096 0.5365904 0.5000000), wk = 0.0021008 k( 377) = ( -0.4707277 0.5292723 0.5000000), wk = 0.0021008 k( 378) = ( -0.4780458 0.5219542 0.5000000), wk = 0.0021008 k( 379) = ( -0.4853638 0.5146361 0.5000000), wk = 0.0021008 k( 380) = ( -0.4926819 0.5073181 0.5000000), wk = 0.0021008 k( 381) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 382) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 k( 383) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0021008 k( 384) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0021008 k( 385) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0021008 k( 386) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0021008 k( 387) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0021008 k( 388) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0021008 k( 389) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0021008 k( 390) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0021008 k( 391) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0021008 k( 392) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0021008 k( 393) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0021008 k( 394) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0021008 k( 395) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0021008 k( 396) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0021008 k( 397) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0021008 k( 398) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0021008 k( 399) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0021008 k( 400) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0021008 k( 401) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0021008 k( 402) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0021008 k( 403) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0021008 k( 404) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0021008 k( 405) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0021008 k( 406) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0021008 k( 407) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0021008 k( 408) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0021008 k( 409) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0021008 k( 410) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0021008 k( 411) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0021008 k( 412) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0021008 k( 413) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0021008 k( 414) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0021008 k( 415) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0021008 k( 416) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0021008 k( 417) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0021008 k( 418) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021008 k( 419) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021008 k( 420) = ( -0.0087719 0.0087719 0.5000000), wk = 0.0021008 k( 421) = ( -0.0175439 0.0175439 0.5000000), wk = 0.0021008 k( 422) = ( -0.0263158 0.0263158 0.5000000), wk = 0.0021008 k( 423) = ( -0.0350877 0.0350877 0.5000000), wk = 0.0021008 k( 424) = ( -0.0438597 0.0438596 0.5000000), wk = 0.0021008 k( 425) = ( -0.0526316 0.0526316 0.5000000), wk = 0.0021008 k( 426) = ( -0.0614035 0.0614035 0.5000000), wk = 0.0021008 k( 427) = ( -0.0701754 0.0701754 0.5000000), wk = 0.0021008 k( 428) = ( -0.0789474 0.0789474 0.5000000), wk = 0.0021008 k( 429) = ( -0.0877193 0.0877193 0.5000000), wk = 0.0021008 k( 430) = ( -0.0964912 0.0964912 0.5000000), wk = 0.0021008 k( 431) = ( -0.1052632 0.1052632 0.5000000), wk = 0.0021008 k( 432) = ( -0.1140351 0.1140351 0.5000000), wk = 0.0021008 k( 433) = ( -0.1228070 0.1228070 0.5000000), wk = 0.0021008 k( 434) = ( -0.1315790 0.1315790 0.5000000), wk = 0.0021008 k( 435) = ( -0.1403509 0.1403509 0.5000000), wk = 0.0021008 k( 436) = ( -0.1491228 0.1491228 0.5000000), wk = 0.0021008 k( 437) = ( -0.1578947 0.1578947 0.5000000), wk = 0.0021008 k( 438) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0021008 k( 439) = ( -0.1754386 0.1754386 0.5000000), wk = 0.0021008 k( 440) = ( -0.1842105 0.1842105 0.5000000), wk = 0.0021008 k( 441) = ( -0.1929825 0.1929825 0.5000000), wk = 0.0021008 k( 442) = ( -0.2017544 0.2017544 0.5000000), wk = 0.0021008 k( 443) = ( -0.2105263 0.2105263 0.5000000), wk = 0.0021008 k( 444) = ( -0.2192983 0.2192982 0.5000000), wk = 0.0021008 k( 445) = ( -0.2280702 0.2280702 0.5000000), wk = 0.0021008 k( 446) = ( -0.2368421 0.2368421 0.5000000), wk = 0.0021008 k( 447) = ( -0.2456140 0.2456140 0.5000000), wk = 0.0021008 k( 448) = ( -0.2543860 0.2543860 0.5000000), wk = 0.0021008 k( 449) = ( -0.2631579 0.2631579 0.5000000), wk = 0.0021008 k( 450) = ( -0.2719298 0.2719298 0.5000000), wk = 0.0021008 k( 451) = ( -0.2807018 0.2807017 0.5000000), wk = 0.0021008 k( 452) = ( -0.2894737 0.2894737 0.5000000), wk = 0.0021008 k( 453) = ( -0.2982456 0.2982456 0.5000000), wk = 0.0021008 k( 454) = ( -0.3070175 0.3070175 0.5000000), wk = 0.0021008 k( 455) = ( -0.3157895 0.3157895 0.5000000), wk = 0.0021008 k( 456) = ( -0.3245614 0.3245614 0.5000000), wk = 0.0021008 k( 457) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0021008 k( 458) = ( -0.3421053 0.3421053 0.5000000), wk = 0.0021008 k( 459) = ( -0.3508772 0.3508772 0.5000000), wk = 0.0021008 k( 460) = ( -0.3596491 0.3596491 0.5000000), wk = 0.0021008 k( 461) = ( -0.3684211 0.3684211 0.5000000), wk = 0.0021008 k( 462) = ( -0.3771930 0.3771930 0.5000000), wk = 0.0021008 k( 463) = ( -0.3859649 0.3859649 0.5000000), wk = 0.0021008 k( 464) = ( -0.3947368 0.3947368 0.5000000), wk = 0.0021008 k( 465) = ( -0.4035088 0.4035088 0.5000000), wk = 0.0021008 k( 466) = ( -0.4122807 0.4122807 0.5000000), wk = 0.0021008 k( 467) = ( -0.4210526 0.4210526 0.5000000), wk = 0.0021008 k( 468) = ( -0.4298246 0.4298246 0.5000000), wk = 0.0021008 k( 469) = ( -0.4385965 0.4385965 0.5000000), wk = 0.0021008 k( 470) = ( -0.4473684 0.4473684 0.5000000), wk = 0.0021008 k( 471) = ( -0.4561404 0.4561404 0.5000000), wk = 0.0021008 k( 472) = ( -0.4649123 0.4649123 0.5000000), wk = 0.0021008 k( 473) = ( -0.4736842 0.4736842 0.5000000), wk = 0.0021008 k( 474) = ( -0.4824561 0.4824561 0.5000000), wk = 0.0021008 k( 475) = ( -0.4912281 0.4912281 0.5000000), wk = 0.0021008 k( 476) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021008 Dense grid: 40183 G-vectors FFT dimensions: ( 45, 45, 48) Smooth grid: 14275 G-vectors FFT dimensions: ( 30, 30, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 122, 40) NL pseudopotentials 0.10 Mb ( 61, 112) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1117) G-vector shells 0.00 Mb ( 536) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 122, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000014 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.6 secs Computing kpt #: 4 total cpu time spent up to now is 1.7 secs Computing kpt #: 5 total cpu time spent up to now is 1.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.0 secs Computing kpt #: 7 total cpu time spent up to now is 2.1 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.8 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.7 secs Computing kpt #: 16 total cpu time spent up to now is 3.9 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.4 secs Computing kpt #: 19 total cpu time spent up to now is 4.6 secs Computing kpt #: 20 total cpu time spent up to now is 4.8 secs Computing kpt #: 21 total cpu time spent up to now is 5.0 secs Computing kpt #: 22 total cpu time spent up to now is 5.3 secs Computing kpt #: 23 total cpu time spent up to now is 5.5 secs Computing kpt #: 24 total cpu time spent up to now is 5.7 secs Computing kpt #: 25 total cpu time spent up to now is 5.9 secs Computing kpt #: 26 total cpu time spent up to now is 6.1 secs Computing kpt #: 27 total cpu time spent up to now is 6.3 secs Computing kpt #: 28 total cpu time spent up to now is 6.6 secs Computing kpt #: 29 total cpu time spent up to now is 6.8 secs Computing kpt #: 30 total cpu time spent up to now is 7.0 secs Computing kpt #: 31 total cpu time spent up to now is 7.2 secs Computing kpt #: 32 total cpu time spent up to now is 7.5 secs Computing kpt #: 33 total cpu time spent up to now is 7.7 secs Computing kpt #: 34 total cpu time spent up to now is 7.9 secs Computing kpt #: 35 total cpu time spent up to now is 8.0 secs Computing kpt #: 36 total cpu time spent up to now is 8.2 secs Computing kpt #: 37 total cpu time spent up to now is 8.4 secs Computing kpt #: 38 total cpu time spent up to now is 8.5 secs Computing kpt #: 39 total cpu time spent up to now is 8.7 secs Computing kpt #: 40 total cpu time spent up to now is 8.9 secs Computing kpt #: 41 total cpu time spent up to now is 9.0 secs Computing kpt #: 42 total cpu time spent up to now is 9.2 secs Computing kpt #: 43 total cpu time spent up to now is 9.3 secs Computing kpt #: 44 total cpu time spent up to now is 9.5 secs Computing kpt #: 45 total cpu time spent up to now is 9.6 secs Computing kpt #: 46 total cpu time spent up to now is 9.8 secs Computing kpt #: 47 total cpu time spent up to now is 9.9 secs Computing kpt #: 48 total cpu time spent up to now is 10.1 secs Computing kpt #: 49 total cpu time spent up to now is 10.3 secs Computing kpt #: 50 total cpu time spent up to now is 10.4 secs Computing kpt #: 51 total cpu time spent up to now is 10.6 secs Computing kpt #: 52 total cpu time spent up to now is 10.7 secs Computing kpt #: 53 total cpu time spent up to now is 10.9 secs Computing kpt #: 54 total cpu time spent up to now is 11.0 secs Computing kpt #: 55 total cpu time spent up to now is 11.2 secs Computing kpt #: 56 total cpu time spent up to now is 11.4 secs Computing kpt #: 57 total cpu time spent up to now is 11.5 secs Computing kpt #: 58 total cpu time spent up to now is 11.7 secs Computing kpt #: 59 total cpu time spent up to now is 11.8 secs Computing kpt #: 60 total cpu time spent up to now is 12.0 secs Computing kpt #: 61 total cpu time spent up to now is 12.2 secs Computing kpt #: 62 total cpu time spent up to now is 12.3 secs Computing kpt #: 63 total cpu time spent up to now is 12.5 secs Computing kpt #: 64 total cpu time spent up to now is 12.7 secs Computing kpt #: 65 total cpu time spent up to now is 12.8 secs Computing kpt #: 66 total cpu time spent up to now is 13.0 secs Computing kpt #: 67 total cpu time spent up to now is 13.2 secs Computing kpt #: 68 total cpu time spent up to now is 13.3 secs Computing kpt #: 69 total cpu time spent up to now is 13.5 secs Computing kpt #: 70 total cpu time spent up to now is 13.7 secs Computing kpt #: 71 total cpu time spent up to now is 13.8 secs Computing kpt #: 72 total cpu time spent up to now is 14.0 secs Computing kpt #: 73 total cpu time spent up to now is 14.2 secs Computing kpt #: 74 total cpu time spent up to now is 14.3 secs Computing kpt #: 75 total cpu time spent up to now is 14.5 secs Computing kpt #: 76 total cpu time spent up to now is 14.6 secs Computing kpt #: 77 total cpu time spent up to now is 14.8 secs Computing kpt #: 78 total cpu time spent up to now is 15.0 secs Computing kpt #: 79 total cpu time spent up to now is 15.1 secs Computing kpt #: 80 total cpu time spent up to now is 15.3 secs Computing kpt #: 81 total cpu time spent up to now is 15.5 secs Computing kpt #: 82 total cpu time spent up to now is 15.6 secs Computing kpt #: 83 total cpu time spent up to now is 15.8 secs Computing kpt #: 84 total cpu time spent up to now is 15.9 secs Computing kpt #: 85 total cpu time spent up to now is 16.1 secs Computing kpt #: 86 total cpu time spent up to now is 16.2 secs Computing kpt #: 87 total cpu time spent up to now is 16.4 secs Computing kpt #: 88 total cpu time spent up to now is 16.5 secs Computing kpt #: 89 total cpu time spent up to now is 16.7 secs Computing kpt #: 90 total cpu time spent up to now is 16.8 secs Computing kpt #: 91 total cpu time spent up to now is 17.0 secs Computing kpt #: 92 total cpu time spent up to now is 17.1 secs Computing kpt #: 93 total cpu time spent up to now is 17.3 secs Computing kpt #: 94 total cpu time spent up to now is 17.5 secs Computing kpt #: 95 total cpu time spent up to now is 17.6 secs Computing kpt #: 96 total cpu time spent up to now is 17.8 secs Computing kpt #: 97 total cpu time spent up to now is 17.9 secs Computing kpt #: 98 total cpu time spent up to now is 18.0 secs Computing kpt #: 99 total cpu time spent up to now is 18.2 secs Computing kpt #: 100 total cpu time spent up to now is 18.3 secs Computing kpt #: 101 total cpu time spent up to now is 18.5 secs Computing kpt #: 102 total cpu time spent up to now is 18.6 secs Computing kpt #: 103 total cpu time spent up to now is 18.8 secs Computing kpt #: 104 total cpu time spent up to now is 18.9 secs Computing kpt #: 105 total cpu time spent up to now is 19.1 secs Computing kpt #: 106 total cpu time spent up to now is 19.3 secs Computing kpt #: 107 total cpu time spent up to now is 19.4 secs Computing kpt #: 108 total cpu time spent up to now is 19.6 secs Computing kpt #: 109 total cpu time spent up to now is 19.7 secs Computing kpt #: 110 total cpu time spent up to now is 19.9 secs Computing kpt #: 111 total cpu time spent up to now is 20.0 secs Computing kpt #: 112 total cpu time spent up to now is 20.2 secs Computing kpt #: 113 total cpu time spent up to now is 20.3 secs Computing kpt #: 114 total cpu time spent up to now is 20.5 secs Computing kpt #: 115 total cpu time spent up to now is 20.7 secs Computing kpt #: 116 total cpu time spent up to now is 20.9 secs Computing kpt #: 117 total cpu time spent up to now is 21.1 secs Computing kpt #: 118 total cpu time spent up to now is 21.4 secs Computing kpt #: 119 total cpu time spent up to now is 21.6 secs Computing kpt #: 120 total cpu time spent up to now is 21.9 secs Computing kpt #: 121 total cpu time spent up to now is 22.2 secs Computing kpt #: 122 total cpu time spent up to now is 22.4 secs Computing kpt #: 123 total cpu time spent up to now is 22.7 secs Computing kpt #: 124 total cpu time spent up to now is 22.9 secs Computing kpt #: 125 total cpu time spent up to now is 23.0 secs Computing kpt #: 126 total cpu time spent up to now is 23.2 secs Computing kpt #: 127 total cpu time spent up to now is 23.4 secs Computing kpt #: 128 total cpu time spent up to now is 23.6 secs Computing kpt #: 129 total cpu time spent up to now is 23.7 secs Computing kpt #: 130 total cpu time spent up to now is 23.9 secs Computing kpt #: 131 total cpu time spent up to now is 24.1 secs Computing kpt #: 132 total cpu time spent up to now is 24.3 secs Computing kpt #: 133 total cpu time spent up to now is 24.4 secs Computing kpt #: 134 total cpu time spent up to now is 24.6 secs Computing kpt #: 135 total cpu time spent up to now is 24.8 secs Computing kpt #: 136 total cpu time spent up to now is 25.0 secs Computing kpt #: 137 total cpu time spent up to now is 25.1 secs Computing kpt #: 138 total cpu time spent up to now is 25.3 secs Computing kpt #: 139 total cpu time spent up to now is 25.5 secs Computing kpt #: 140 total cpu time spent up to now is 25.7 secs Computing kpt #: 141 total cpu time spent up to now is 25.8 secs Computing kpt #: 142 total cpu time spent up to now is 26.0 secs Computing kpt #: 143 total cpu time spent up to now is 26.2 secs Computing kpt #: 144 total cpu time spent up to now is 26.4 secs Computing kpt #: 145 total cpu time spent up to now is 26.6 secs Computing kpt #: 146 total cpu time spent up to now is 26.8 secs Computing kpt #: 147 total cpu time spent up to now is 26.9 secs Computing kpt #: 148 total cpu time spent up to now is 27.1 secs Computing kpt #: 149 total cpu time spent up to now is 27.3 secs Computing kpt #: 150 total cpu time spent up to now is 27.5 secs Computing kpt #: 151 total cpu time spent up to now is 27.7 secs Computing kpt #: 152 total cpu time spent up to now is 27.9 secs Computing kpt #: 153 total cpu time spent up to now is 28.1 secs Computing kpt #: 154 total cpu time spent up to now is 28.2 secs Computing kpt #: 155 total cpu time spent up to now is 28.4 secs Computing kpt #: 156 total cpu time spent up to now is 28.6 secs Computing kpt #: 157 total cpu time spent up to now is 28.8 secs Computing kpt #: 158 total cpu time spent up to now is 29.0 secs Computing kpt #: 159 total cpu time spent up to now is 29.2 secs Computing kpt #: 160 total cpu time spent up to now is 29.4 secs Computing kpt #: 161 total cpu time spent up to now is 29.6 secs Computing kpt #: 162 total cpu time spent up to now is 29.8 secs Computing kpt #: 163 total cpu time spent up to now is 30.0 secs Computing kpt #: 164 total cpu time spent up to now is 30.2 secs Computing kpt #: 165 total cpu time spent up to now is 30.4 secs Computing kpt #: 166 total cpu time spent up to now is 30.6 secs Computing kpt #: 167 total cpu time spent up to now is 30.9 secs Computing kpt #: 168 total cpu time spent up to now is 31.1 secs Computing kpt #: 169 total cpu time spent up to now is 31.3 secs Computing kpt #: 170 total cpu time spent up to now is 31.6 secs Computing kpt #: 171 total cpu time spent up to now is 31.9 secs Computing kpt #: 172 total cpu time spent up to now is 32.3 secs Computing kpt #: 173 total cpu time spent up to now is 32.6 secs Computing kpt #: 174 total cpu time spent up to now is 32.9 secs Computing kpt #: 175 total cpu time spent up to now is 33.2 secs Computing kpt #: 176 total cpu time spent up to now is 33.5 secs Computing kpt #: 177 total cpu time spent up to now is 33.8 secs Computing kpt #: 178 total cpu time spent up to now is 34.0 secs Computing kpt #: 179 total cpu time spent up to now is 34.1 secs Computing kpt #: 180 total cpu time spent up to now is 34.3 secs Computing kpt #: 181 total cpu time spent up to now is 34.5 secs Computing kpt #: 182 total cpu time spent up to now is 34.7 secs Computing kpt #: 183 total cpu time spent up to now is 34.8 secs Computing kpt #: 184 total cpu time spent up to now is 35.0 secs Computing kpt #: 185 total cpu time spent up to now is 35.1 secs Computing kpt #: 186 total cpu time spent up to now is 35.3 secs Computing kpt #: 187 total cpu time spent up to now is 35.5 secs Computing kpt #: 188 total cpu time spent up to now is 35.6 secs Computing kpt #: 189 total cpu time spent up to now is 35.8 secs Computing kpt #: 190 total cpu time spent up to now is 35.9 secs Computing kpt #: 191 total cpu time spent up to now is 36.0 secs Computing kpt #: 192 total cpu time spent up to now is 36.2 secs Computing kpt #: 193 total cpu time spent up to now is 36.3 secs Computing kpt #: 194 total cpu time spent up to now is 36.5 secs Computing kpt #: 195 total cpu time spent up to now is 36.6 secs Computing kpt #: 196 total cpu time spent up to now is 36.8 secs Computing kpt #: 197 total cpu time spent up to now is 36.9 secs Computing kpt #: 198 total cpu time spent up to now is 37.0 secs Computing kpt #: 199 total cpu time spent up to now is 37.2 secs Computing kpt #: 200 total cpu time spent up to now is 37.3 secs Computing kpt #: 201 total cpu time spent up to now is 37.5 secs Computing kpt #: 202 total cpu time spent up to now is 37.6 secs Computing kpt #: 203 total cpu time spent up to now is 37.7 secs Computing kpt #: 204 total cpu time spent up to now is 37.9 secs Computing kpt #: 205 total cpu time spent up to now is 38.0 secs Computing kpt #: 206 total cpu time spent up to now is 38.1 secs Computing kpt #: 207 total cpu time spent up to now is 38.3 secs Computing kpt #: 208 total cpu time spent up to now is 38.4 secs Computing kpt #: 209 total cpu time spent up to now is 38.5 secs Computing kpt #: 210 total cpu time spent up to now is 38.7 secs Computing kpt #: 211 total cpu time spent up to now is 38.8 secs Computing kpt #: 212 total cpu time spent up to now is 39.0 secs Computing kpt #: 213 total cpu time spent up to now is 39.1 secs Computing kpt #: 214 total cpu time spent up to now is 39.2 secs Computing kpt #: 215 total cpu time spent up to now is 39.3 secs Computing kpt #: 216 total cpu time spent up to now is 39.5 secs Computing kpt #: 217 total cpu time spent up to now is 39.6 secs Computing kpt #: 218 total cpu time spent up to now is 39.8 secs Computing kpt #: 219 total cpu time spent up to now is 39.9 secs Computing kpt #: 220 total cpu time spent up to now is 40.0 secs Computing kpt #: 221 total cpu time spent up to now is 40.2 secs Computing kpt #: 222 total cpu time spent up to now is 40.3 secs Computing kpt #: 223 total cpu time spent up to now is 40.4 secs Computing kpt #: 224 total cpu time spent up to now is 40.6 secs Computing kpt #: 225 total cpu time spent up to now is 40.7 secs Computing kpt #: 226 total cpu time spent up to now is 40.8 secs Computing kpt #: 227 total cpu time spent up to now is 41.0 secs Computing kpt #: 228 total cpu time spent up to now is 41.1 secs Computing kpt #: 229 total cpu time spent up to now is 41.2 secs Computing kpt #: 230 total cpu time spent up to now is 41.4 secs Computing kpt #: 231 total cpu time spent up to now is 41.5 secs Computing kpt #: 232 total cpu time spent up to now is 41.6 secs Computing kpt #: 233 total cpu time spent up to now is 41.8 secs Computing kpt #: 234 total cpu time spent up to now is 41.9 secs Computing kpt #: 235 total cpu time spent up to now is 42.0 secs Computing kpt #: 236 total cpu time spent up to now is 42.2 secs Computing kpt #: 237 total cpu time spent up to now is 42.3 secs Computing kpt #: 238 total cpu time spent up to now is 42.5 secs Computing kpt #: 239 total cpu time spent up to now is 42.6 secs Computing kpt #: 240 total cpu time spent up to now is 42.7 secs Computing kpt #: 241 total cpu time spent up to now is 42.9 secs Computing kpt #: 242 total cpu time spent up to now is 43.0 secs Computing kpt #: 243 total cpu time spent up to now is 43.1 secs Computing kpt #: 244 total cpu time spent up to now is 43.3 secs Computing kpt #: 245 total cpu time spent up to now is 43.4 secs Computing kpt #: 246 total cpu time spent up to now is 43.5 secs Computing kpt #: 247 total cpu time spent up to now is 43.7 secs Computing kpt #: 248 total cpu time spent up to now is 43.8 secs Computing kpt #: 249 total cpu time spent up to now is 43.9 secs Computing kpt #: 250 total cpu time spent up to now is 44.1 secs Computing kpt #: 251 total cpu time spent up to now is 44.2 secs Computing kpt #: 252 total cpu time spent up to now is 44.3 secs Computing kpt #: 253 total cpu time spent up to now is 44.5 secs Computing kpt #: 254 total cpu time spent up to now is 44.6 secs Computing kpt #: 255 total cpu time spent up to now is 44.7 secs Computing kpt #: 256 total cpu time spent up to now is 44.9 secs Computing kpt #: 257 total cpu time spent up to now is 45.0 secs Computing kpt #: 258 total cpu time spent up to now is 45.1 secs Computing kpt #: 259 total cpu time spent up to now is 45.3 secs Computing kpt #: 260 total cpu time spent up to now is 45.4 secs Computing kpt #: 261 total cpu time spent up to now is 45.6 secs Computing kpt #: 262 total cpu time spent up to now is 45.7 secs Computing kpt #: 263 total cpu time spent up to now is 45.8 secs Computing kpt #: 264 total cpu time spent up to now is 46.0 secs Computing kpt #: 265 total cpu time spent up to now is 46.1 secs Computing kpt #: 266 total cpu time spent up to now is 46.3 secs Computing kpt #: 267 total cpu time spent up to now is 46.4 secs Computing kpt #: 268 total cpu time spent up to now is 46.5 secs Computing kpt #: 269 total cpu time spent up to now is 46.7 secs Computing kpt #: 270 total cpu time spent up to now is 46.8 secs Computing kpt #: 271 total cpu time spent up to now is 47.0 secs Computing kpt #: 272 total cpu time spent up to now is 47.3 secs Computing kpt #: 273 total cpu time spent up to now is 47.5 secs Computing kpt #: 274 total cpu time spent up to now is 47.7 secs Computing kpt #: 275 total cpu time spent up to now is 47.8 secs Computing kpt #: 276 total cpu time spent up to now is 48.0 secs Computing kpt #: 277 total cpu time spent up to now is 48.2 secs Computing kpt #: 278 total cpu time spent up to now is 48.4 secs Computing kpt #: 279 total cpu time spent up to now is 48.6 secs Computing kpt #: 280 total cpu time spent up to now is 48.7 secs Computing kpt #: 281 total cpu time spent up to now is 49.0 secs Computing kpt #: 282 total cpu time spent up to now is 49.1 secs Computing kpt #: 283 total cpu time spent up to now is 49.3 secs Computing kpt #: 284 total cpu time spent up to now is 49.5 secs Computing kpt #: 285 total cpu time spent up to now is 49.6 secs Computing kpt #: 286 total cpu time spent up to now is 49.8 secs Computing kpt #: 287 total cpu time spent up to now is 49.9 secs Computing kpt #: 288 total cpu time spent up to now is 50.1 secs Computing kpt #: 289 total cpu time spent up to now is 50.2 secs Computing kpt #: 290 total cpu time spent up to now is 50.4 secs Computing kpt #: 291 total cpu time spent up to now is 50.5 secs Computing kpt #: 292 total cpu time spent up to now is 50.7 secs Computing kpt #: 293 total cpu time spent up to now is 50.8 secs Computing kpt #: 294 total cpu time spent up to now is 51.0 secs Computing kpt #: 295 total cpu time spent up to now is 51.1 secs Computing kpt #: 296 total cpu time spent up to now is 51.3 secs Computing kpt #: 297 total cpu time spent up to now is 51.4 secs Computing kpt #: 298 total cpu time spent up to now is 51.6 secs Computing kpt #: 299 total cpu time spent up to now is 51.7 secs Computing kpt #: 300 total cpu time spent up to now is 51.9 secs Computing kpt #: 301 total cpu time spent up to now is 52.0 secs Computing kpt #: 302 total cpu time spent up to now is 52.2 secs Computing kpt #: 303 total cpu time spent up to now is 52.4 secs Computing kpt #: 304 total cpu time spent up to now is 52.5 secs Computing kpt #: 305 total cpu time spent up to now is 52.7 secs Computing kpt #: 306 total cpu time spent up to now is 52.8 secs Computing kpt #: 307 total cpu time spent up to now is 53.0 secs Computing kpt #: 308 total cpu time spent up to now is 53.1 secs Computing kpt #: 309 total cpu time spent up to now is 53.3 secs Computing kpt #: 310 total cpu time spent up to now is 53.5 secs Computing kpt #: 311 total cpu time spent up to now is 53.6 secs Computing kpt #: 312 total cpu time spent up to now is 53.8 secs Computing kpt #: 313 total cpu time spent up to now is 53.9 secs Computing kpt #: 314 total cpu time spent up to now is 54.1 secs Computing kpt #: 315 total cpu time spent up to now is 54.2 secs Computing kpt #: 316 total cpu time spent up to now is 54.4 secs Computing kpt #: 317 total cpu time spent up to now is 54.6 secs Computing kpt #: 318 total cpu time spent up to now is 54.7 secs Computing kpt #: 319 total cpu time spent up to now is 54.9 secs Computing kpt #: 320 total cpu time spent up to now is 55.0 secs Computing kpt #: 321 total cpu time spent up to now is 55.2 secs Computing kpt #: 322 total cpu time spent up to now is 55.4 secs Computing kpt #: 323 total cpu time spent up to now is 55.5 secs Computing kpt #: 324 total cpu time spent up to now is 55.7 secs Computing kpt #: 325 total cpu time spent up to now is 55.8 secs Computing kpt #: 326 total cpu time spent up to now is 56.0 secs Computing kpt #: 327 total cpu time spent up to now is 56.2 secs Computing kpt #: 328 total cpu time spent up to now is 56.3 secs Computing kpt #: 329 total cpu time spent up to now is 56.5 secs Computing kpt #: 330 total cpu time spent up to now is 56.6 secs Computing kpt #: 331 total cpu time spent up to now is 56.8 secs Computing kpt #: 332 total cpu time spent up to now is 56.9 secs Computing kpt #: 333 total cpu time spent up to now is 57.1 secs Computing kpt #: 334 total cpu time spent up to now is 57.2 secs Computing kpt #: 335 total cpu time spent up to now is 57.4 secs Computing kpt #: 336 total cpu time spent up to now is 57.6 secs Computing kpt #: 337 total cpu time spent up to now is 57.7 secs Computing kpt #: 338 total cpu time spent up to now is 57.9 secs Computing kpt #: 339 total cpu time spent up to now is 58.0 secs Computing kpt #: 340 total cpu time spent up to now is 58.2 secs Computing kpt #: 341 total cpu time spent up to now is 58.4 secs Computing kpt #: 342 total cpu time spent up to now is 58.5 secs Computing kpt #: 343 total cpu time spent up to now is 58.7 secs Computing kpt #: 344 total cpu time spent up to now is 58.9 secs Computing kpt #: 345 total cpu time spent up to now is 59.0 secs Computing kpt #: 346 total cpu time spent up to now is 59.2 secs Computing kpt #: 347 total cpu time spent up to now is 59.4 secs Computing kpt #: 348 total cpu time spent up to now is 59.7 secs Computing kpt #: 349 total cpu time spent up to now is 59.9 secs Computing kpt #: 350 total cpu time spent up to now is 60.1 secs Computing kpt #: 351 total cpu time spent up to now is 60.4 secs Computing kpt #: 352 total cpu time spent up to now is 60.6 secs Computing kpt #: 353 total cpu time spent up to now is 60.9 secs Computing kpt #: 354 total cpu time spent up to now is 61.1 secs Computing kpt #: 355 total cpu time spent up to now is 61.3 secs Computing kpt #: 356 total cpu time spent up to now is 61.6 secs Computing kpt #: 357 total cpu time spent up to now is 61.8 secs Computing kpt #: 358 total cpu time spent up to now is 62.1 secs Computing kpt #: 359 total cpu time spent up to now is 62.3 secs Computing kpt #: 360 total cpu time spent up to now is 62.5 secs Computing kpt #: 361 total cpu time spent up to now is 62.8 secs Computing kpt #: 362 total cpu time spent up to now is 63.0 secs Computing kpt #: 363 total cpu time spent up to now is 63.3 secs Computing kpt #: 364 total cpu time spent up to now is 63.6 secs Computing kpt #: 365 total cpu time spent up to now is 63.8 secs Computing kpt #: 366 total cpu time spent up to now is 64.1 secs Computing kpt #: 367 total cpu time spent up to now is 64.4 secs Computing kpt #: 368 total cpu time spent up to now is 64.7 secs Computing kpt #: 369 total cpu time spent up to now is 65.0 secs Computing kpt #: 370 total cpu time spent up to now is 65.3 secs Computing kpt #: 371 total cpu time spent up to now is 65.6 secs Computing kpt #: 372 total cpu time spent up to now is 65.9 secs Computing kpt #: 373 total cpu time spent up to now is 66.2 secs Computing kpt #: 374 total cpu time spent up to now is 66.5 secs Computing kpt #: 375 total cpu time spent up to now is 66.9 secs Computing kpt #: 376 total cpu time spent up to now is 67.2 secs Computing kpt #: 377 total cpu time spent up to now is 67.5 secs Computing kpt #: 378 total cpu time spent up to now is 67.9 secs Computing kpt #: 379 total cpu time spent up to now is 68.2 secs Computing kpt #: 380 total cpu time spent up to now is 68.5 secs Computing kpt #: 381 total cpu time spent up to now is 68.8 secs Computing kpt #: 382 total cpu time spent up to now is 69.2 secs Computing kpt #: 383 total cpu time spent up to now is 69.6 secs Computing kpt #: 384 total cpu time spent up to now is 69.9 secs Computing kpt #: 385 total cpu time spent up to now is 70.3 secs Computing kpt #: 386 total cpu time spent up to now is 70.6 secs Computing kpt #: 387 total cpu time spent up to now is 70.9 secs Computing kpt #: 388 total cpu time spent up to now is 71.2 secs Computing kpt #: 389 total cpu time spent up to now is 71.4 secs Computing kpt #: 390 total cpu time spent up to now is 71.7 secs Computing kpt #: 391 total cpu time spent up to now is 71.9 secs Computing kpt #: 392 total cpu time spent up to now is 72.2 secs Computing kpt #: 393 total cpu time spent up to now is 72.4 secs Computing kpt #: 394 total cpu time spent up to now is 72.7 secs Computing kpt #: 395 total cpu time spent up to now is 72.9 secs Computing kpt #: 396 total cpu time spent up to now is 73.2 secs Computing kpt #: 397 total cpu time spent up to now is 73.4 secs Computing kpt #: 398 total cpu time spent up to now is 73.7 secs Computing kpt #: 399 total cpu time spent up to now is 73.9 secs Computing kpt #: 400 total cpu time spent up to now is 74.1 secs Computing kpt #: 401 total cpu time spent up to now is 74.4 secs Computing kpt #: 402 total cpu time spent up to now is 74.6 secs Computing kpt #: 403 total cpu time spent up to now is 74.9 secs Computing kpt #: 404 total cpu time spent up to now is 75.1 secs Computing kpt #: 405 total cpu time spent up to now is 75.4 secs Computing kpt #: 406 total cpu time spent up to now is 75.6 secs Computing kpt #: 407 total cpu time spent up to now is 75.9 secs Computing kpt #: 408 total cpu time spent up to now is 76.1 secs Computing kpt #: 409 total cpu time spent up to now is 76.2 secs Computing kpt #: 410 total cpu time spent up to now is 76.4 secs Computing kpt #: 411 total cpu time spent up to now is 76.6 secs Computing kpt #: 412 total cpu time spent up to now is 76.7 secs Computing kpt #: 413 total cpu time spent up to now is 76.9 secs Computing kpt #: 414 total cpu time spent up to now is 77.1 secs Computing kpt #: 415 total cpu time spent up to now is 77.2 secs Computing kpt #: 416 total cpu time spent up to now is 77.4 secs Computing kpt #: 417 total cpu time spent up to now is 77.6 secs Computing kpt #: 418 total cpu time spent up to now is 77.7 secs Computing kpt #: 419 total cpu time spent up to now is 77.9 secs Computing kpt #: 420 total cpu time spent up to now is 78.0 secs Computing kpt #: 421 total cpu time spent up to now is 78.1 secs Computing kpt #: 422 total cpu time spent up to now is 78.3 secs Computing kpt #: 423 total cpu time spent up to now is 78.4 secs Computing kpt #: 424 total cpu time spent up to now is 78.5 secs Computing kpt #: 425 total cpu time spent up to now is 78.7 secs Computing kpt #: 426 total cpu time spent up to now is 78.8 secs Computing kpt #: 427 total cpu time spent up to now is 78.9 secs Computing kpt #: 428 total cpu time spent up to now is 79.1 secs Computing kpt #: 429 total cpu time spent up to now is 79.2 secs Computing kpt #: 430 total cpu time spent up to now is 79.4 secs Computing kpt #: 431 total cpu time spent up to now is 79.5 secs Computing kpt #: 432 total cpu time spent up to now is 79.6 secs Computing kpt #: 433 total cpu time spent up to now is 79.8 secs Computing kpt #: 434 total cpu time spent up to now is 79.9 secs Computing kpt #: 435 total cpu time spent up to now is 80.1 secs Computing kpt #: 436 total cpu time spent up to now is 80.2 secs Computing kpt #: 437 total cpu time spent up to now is 80.4 secs Computing kpt #: 438 total cpu time spent up to now is 80.5 secs Computing kpt #: 439 total cpu time spent up to now is 80.7 secs Computing kpt #: 440 total cpu time spent up to now is 80.8 secs Computing kpt #: 441 total cpu time spent up to now is 80.9 secs Computing kpt #: 442 total cpu time spent up to now is 81.1 secs Computing kpt #: 443 total cpu time spent up to now is 81.2 secs Computing kpt #: 444 total cpu time spent up to now is 81.4 secs Computing kpt #: 445 total cpu time spent up to now is 81.5 secs Computing kpt #: 446 total cpu time spent up to now is 81.7 secs Computing kpt #: 447 total cpu time spent up to now is 81.8 secs Computing kpt #: 448 total cpu time spent up to now is 82.0 secs Computing kpt #: 449 total cpu time spent up to now is 82.2 secs Computing kpt #: 450 total cpu time spent up to now is 82.3 secs Computing kpt #: 451 total cpu time spent up to now is 82.5 secs Computing kpt #: 452 total cpu time spent up to now is 82.6 secs Computing kpt #: 453 total cpu time spent up to now is 82.8 secs Computing kpt #: 454 total cpu time spent up to now is 83.0 secs Computing kpt #: 455 total cpu time spent up to now is 83.2 secs Computing kpt #: 456 total cpu time spent up to now is 83.4 secs Computing kpt #: 457 total cpu time spent up to now is 83.5 secs Computing kpt #: 458 total cpu time spent up to now is 83.8 secs Computing kpt #: 459 total cpu time spent up to now is 84.1 secs Computing kpt #: 460 total cpu time spent up to now is 84.4 secs Computing kpt #: 461 total cpu time spent up to now is 84.7 secs Computing kpt #: 462 total cpu time spent up to now is 85.0 secs Computing kpt #: 463 total cpu time spent up to now is 85.3 secs Computing kpt #: 464 total cpu time spent up to now is 85.5 secs Computing kpt #: 465 total cpu time spent up to now is 85.8 secs Computing kpt #: 466 total cpu time spent up to now is 86.1 secs Computing kpt #: 467 total cpu time spent up to now is 86.4 secs Computing kpt #: 468 total cpu time spent up to now is 86.7 secs Computing kpt #: 469 total cpu time spent up to now is 87.0 secs Computing kpt #: 470 total cpu time spent up to now is 87.3 secs Computing kpt #: 471 total cpu time spent up to now is 87.5 secs Computing kpt #: 472 total cpu time spent up to now is 87.8 secs Computing kpt #: 473 total cpu time spent up to now is 88.1 secs Computing kpt #: 474 total cpu time spent up to now is 88.4 secs Computing kpt #: 475 total cpu time spent up to now is 88.8 secs Computing kpt #: 476 total cpu time spent up to now is 89.1 secs ethr = 3.13E-08, avg # of iterations = 17.0 total cpu time spent up to now is 89.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1799 PWs) bands (ev): -12.2269 -12.2269 -7.4710 -7.4710 -5.1341 -5.1341 -4.0941 -4.0941 -1.3300 -1.3300 -0.5395 -0.5395 0.6951 0.6951 1.6998 1.6998 1.7379 1.7379 4.2546 4.2546 4.6550 4.6550 4.8586 4.8586 5.0645 5.0645 5.8668 5.8668 6.6877 6.6877 8.8185 8.8185 9.2397 9.2397 10.5813 10.5813 12.0682 12.0682 12.1628 12.1628 k = 0.0077 0.0089-0.0000 ( 1793 PWs) bands (ev): -12.2264 -12.2264 -7.4706 -7.4706 -5.1345 -5.1345 -4.0960 -4.0960 -1.3334 -1.3334 -0.5350 -0.5350 0.6920 0.6920 1.7030 1.7030 1.7354 1.7354 4.2594 4.2594 4.6564 4.6564 4.8486 4.8486 5.0640 5.0640 5.8769 5.8769 6.6882 6.6882 8.8203 8.8203 9.2337 9.2337 10.5817 10.5817 12.0625 12.0625 12.1649 12.1649 k = 0.0155 0.0177-0.0000 ( 1801 PWs) bands (ev): -12.2250 -12.2250 -7.4695 -7.4695 -5.1358 -5.1358 -4.1016 -4.1016 -1.3435 -1.3435 -0.5215 -0.5215 0.6831 0.6831 1.7123 1.7123 1.7280 1.7280 4.2739 4.2739 4.6604 4.6604 4.8198 4.8198 5.0628 5.0628 5.9059 5.9059 6.6895 6.6895 8.8255 8.8255 9.2159 9.2159 10.5830 10.5830 12.0454 12.0454 12.1712 12.1712 k = 0.0232 0.0266-0.0000 ( 1797 PWs) bands (ev): -12.2224 -12.2224 -7.4676 -7.4676 -5.1379 -5.1379 -4.1108 -4.1108 -1.3602 -1.3602 -0.4992 -0.4992 0.6685 0.6685 1.7158 1.7158 1.7278 1.7278 4.2980 4.2980 4.6673 4.6673 4.7751 4.7751 5.0608 5.0608 5.9512 5.9512 6.6918 6.6918 8.8343 8.8343 9.1866 9.1866 10.5850 10.5850 12.0172 12.0172 12.1818 12.1818 k = 0.0310 0.0354-0.0000 ( 1793 PWs) bands (ev): -12.2189 -12.2189 -7.4649 -7.4649 -5.1410 -5.1410 -4.1231 -4.1231 -1.3831 -1.3831 -0.4683 -0.4683 0.6485 0.6485 1.6989 1.6989 1.7489 1.7489 4.3314 4.3314 4.6765 4.6765 4.7181 4.7181 5.0580 5.0580 6.0093 6.0093 6.6952 6.6952 8.8466 8.8466 9.1464 9.1464 10.5878 10.5878 11.9783 11.9783 12.1968 12.1968 k = 0.0387 0.0443-0.0000 ( 1793 PWs) bands (ev): -12.2145 -12.2145 -7.4615 -7.4615 -5.1452 -5.1452 -4.1383 -4.1383 -1.4121 -1.4121 -0.4292 -0.4292 0.6234 0.6234 1.6775 1.6775 1.7755 1.7755 4.3736 4.3736 4.6517 4.6517 4.6878 4.6878 5.0545 5.0545 6.0769 6.0769 6.6995 6.6995 8.8625 8.8625 9.0960 9.0960 10.5912 10.5912 11.9290 11.9290 12.2159 12.2159 k = 0.0465 0.0531-0.0000 ( 1787 PWs) bands (ev): -12.2091 -12.2091 -7.4574 -7.4574 -5.1505 -5.1505 -4.1559 -4.1559 -1.4465 -1.4465 -0.3822 -0.3822 0.5936 0.5936 1.6520 1.6520 1.8070 1.8070 4.4243 4.4243 4.5788 4.5788 4.7006 4.7006 5.0503 5.0503 6.1514 6.1514 6.7049 6.7049 8.8820 8.8820 9.0365 9.0365 10.5950 10.5950 11.8703 11.8703 12.2393 12.2393 k = 0.0542 0.0620-0.0000 ( 1781 PWs) bands (ev): -12.2027 -12.2027 -7.4524 -7.4524 -5.1571 -5.1571 -4.1752 -4.1752 -1.4861 -1.4861 -0.3280 -0.3280 0.5596 0.5596 1.6226 1.6226 1.8429 1.8429 4.4829 4.4829 4.5010 4.5010 4.7145 4.7145 5.0456 5.0456 6.2310 6.2310 6.7114 6.7114 8.9051 8.9051 8.9689 8.9689 10.5991 10.5991 11.8028 11.8028 12.2669 12.2669 k = 0.0620 0.0708-0.0000 ( 1781 PWs) bands (ev): -12.1954 -12.1954 -7.4468 -7.4468 -5.1653 -5.1653 -4.1957 -4.1957 -1.5303 -1.5303 -0.2668 -0.2668 0.5219 0.5219 1.5895 1.5895 1.8826 1.8826 4.4200 4.4200 4.5489 4.5489 4.7287 4.7287 5.0403 5.0403 6.3140 6.3140 6.7190 6.7190 8.8940 8.8940 8.9322 8.9322 10.6033 10.6033 11.7273 11.7273 12.2986 12.2987 k = 0.0697 0.0797-0.0000 ( 1781 PWs) bands (ev): -12.1872 -12.1872 -7.4405 -7.4405 -5.1752 -5.1752 -4.2168 -4.2168 -1.5787 -1.5787 -0.1993 -0.1993 0.4809 0.4809 1.5532 1.5532 1.9257 1.9257 4.3367 4.3367 4.6218 4.6218 4.7426 4.7426 5.0347 5.0347 6.3996 6.3996 6.7278 6.7278 8.8137 8.8137 8.9628 8.9628 10.6070 10.6070 11.6451 11.6451 12.3346 12.3346 k = 0.0774 0.0885-0.0000 ( 1777 PWs) bands (ev): -12.1781 -12.1781 -7.4335 -7.4335 -5.1868 -5.1868 -4.2379 -4.2379 -1.6307 -1.6307 -0.1260 -0.1260 0.4372 0.4372 1.5139 1.5139 1.9715 1.9715 4.2518 4.2518 4.7010 4.7010 4.7555 4.7555 5.0288 5.0288 6.4870 6.4870 6.7380 6.7380 8.7289 8.7289 8.9973 8.9973 10.6096 10.6096 11.5576 11.5576 12.3502 12.3749 k = 0.0852 0.0974-0.0000 ( 1781 PWs) bands (ev): -12.1681 -12.1681 -7.4258 -7.4258 -5.2005 -5.2005 -4.2585 -4.2585 -1.6860 -1.6860 -0.0473 -0.0473 0.3913 0.3913 1.4721 1.4721 2.0194 2.0194 4.1660 4.1660 4.7666 4.7666 4.7861 4.7861 5.0228 5.0228 6.5756 6.5756 6.7495 6.7495 8.6408 8.6408 9.0357 9.0357 10.6102 10.6102 11.4662 11.4662 12.3834 12.4190 k = 0.0929 0.1062-0.0000 ( 1781 PWs) bands (ev): -12.1572 -12.1572 -7.4175 -7.4175 -5.2163 -5.2163 -4.2779 -4.2779 -1.7440 -1.7440 0.0361 0.0361 0.3435 0.3435 1.4280 1.4280 2.0690 2.0690 4.0797 4.0797 4.7750 4.7750 4.8763 4.8763 5.0168 5.0168 6.6648 6.6648 6.7625 6.7625 8.5509 8.5509 9.0780 9.0780 10.6073 10.6073 11.3734 11.3734 12.4191 12.4672 k = 0.1007 0.1151-0.0000 ( 1781 PWs) bands (ev): -12.1456 -12.1456 -7.4085 -7.4085 -5.2343 -5.2343 -4.2957 -4.2957 -1.8044 -1.8044 0.1239 0.1239 0.2943 0.2943 1.3819 1.3819 2.1196 2.1196 3.9932 3.9932 4.7799 4.7799 4.9712 4.9712 5.0110 5.0110 6.7545 6.7545 6.7771 6.7771 8.4603 8.4603 9.1243 9.1243 10.5985 10.5985 11.2821 11.2821 12.4571 12.5194 k = 0.1084 0.1239-0.0000 ( 1781 PWs) bands (ev): -12.1331 -12.1331 -7.3990 -7.3990 -5.2545 -5.2545 -4.3116 -4.3116 -1.8668 -1.8668 0.2154 0.2154 0.2440 0.2440 1.3343 1.3343 2.1709 2.1709 3.9068 3.9068 4.7804 4.7804 5.0055 5.0055 5.0706 5.0706 6.7934 6.7934 6.8442 6.8442 8.3703 8.3703 9.1747 9.1747 10.5803 10.5803 11.1967 11.1967 12.4972 12.4972 k = 0.1162 0.1328-0.0000 ( 1779 PWs) bands (ev): -12.1199 -12.1199 -7.3888 -7.3888 -5.2768 -5.2768 -4.3253 -4.3253 -1.9308 -1.9308 0.1932 0.1932 0.3104 0.3104 1.2854 1.2854 2.2223 2.2223 3.8208 3.8208 4.7757 4.7757 5.0007 5.0007 5.1737 5.1737 6.8117 6.8117 6.9339 6.9339 8.2822 8.2822 9.2290 9.2290 10.5481 10.5481 11.1223 11.1223 12.5395 12.5395 k = 0.1239 0.1416-0.0000 ( 1777 PWs) bands (ev): -12.1059 -12.1059 -7.3781 -7.3781 -5.3013 -5.3013 -4.3366 -4.3366 -1.9961 -1.9961 0.1420 0.1420 0.4082 0.4082 1.2354 1.2354 2.2733 2.2733 3.7353 3.7353 4.7647 4.7647 4.9966 4.9966 5.2799 5.2799 6.8320 6.8320 7.0232 7.0232 8.1970 8.1970 9.2875 9.2875 10.4972 10.4972 11.0643 11.0643 12.5835 12.5835 k = 0.1317 0.1505-0.0000 ( 1781 PWs) bands (ev): -12.0913 -12.0913 -7.3669 -7.3669 -5.3276 -5.3276 -4.3455 -4.3455 -2.0625 -2.0625 0.0907 0.0907 0.5083 0.5083 1.1847 1.1847 2.3235 2.3235 3.6504 3.6504 4.7468 4.7468 4.9936 4.9936 5.3891 5.3891 6.8545 6.8545 7.1120 7.1120 8.1158 8.1158 9.3499 9.3499 10.4258 10.4258 11.0253 11.0253 12.6291 12.6291 k = 0.1394 0.1593-0.0000 ( 1783 PWs) bands (ev): -12.0760 -12.0760 -7.3552 -7.3552 -5.3556 -5.3556 -4.3519 -4.3519 -2.1296 -2.1296 0.0398 0.0398 0.6104 0.6104 1.1334 1.1334 2.3725 2.3725 3.5663 3.5663 4.7213 4.7213 4.9917 4.9917 5.5007 5.5007 6.8792 6.8792 7.2003 7.2003 8.0396 8.0396 9.4163 9.4163 10.3358 10.3358 11.0040 11.0040 12.6763 12.6763 k = 0.1472 0.1682-0.0000 ( 1783 PWs) bands (ev): -12.0600 -12.0600 -7.3430 -7.3430 -5.3850 -5.3850 -4.3558 -4.3558 -2.1973 -2.1973 -0.0108 -0.0108 0.7140 0.7140 1.0821 1.0821 2.4199 2.4199 3.4832 3.4832 4.6877 4.6877 4.9914 4.9914 5.6140 5.6140 6.9063 6.9063 7.2879 7.2879 7.9693 7.9693 9.4867 9.4867 10.2316 10.2316 10.9964 10.9964 12.7247 12.7247 k = 0.1549 0.1770-0.0000 ( 1787 PWs) bands (ev): -12.0436 -12.0436 -7.3304 -7.3304 -5.4155 -5.4155 -4.3576 -4.3576 -2.2652 -2.2652 -0.0606 -0.0606 0.8180 0.8180 1.0313 1.0313 2.4654 2.4654 3.4011 3.4011 4.6454 4.6454 4.9927 4.9927 5.7286 5.7286 6.9357 6.9357 7.3745 7.3745 7.9054 7.9054 9.5610 9.5610 10.1178 10.1178 10.9989 10.9989 12.7744 12.7744 k = 0.1626 0.1859-0.0000 ( 1787 PWs) bands (ev): -12.0265 -12.0265 -7.3174 -7.3174 -5.4467 -5.4467 -4.3572 -4.3572 -2.3332 -2.3332 -0.1096 -0.1096 0.9174 0.9174 0.9862 0.9862 2.5085 2.5085 3.3200 3.3200 4.5945 4.5945 4.9959 4.9959 5.8441 5.8441 6.9676 6.9676 7.4604 7.4604 7.8487 7.8487 9.6393 9.6393 9.9978 9.9978 11.0087 11.0087 12.8251 12.8251 k = 0.1704 0.1947-0.0000 ( 1785 PWs) bands (ev): -12.0090 -12.0090 -7.3040 -7.3040 -5.4784 -5.4784 -4.3549 -4.3549 -2.4011 -2.4011 -0.1575 -0.1575 0.9208 0.9208 1.0378 1.0378 2.5492 2.5492 3.2402 3.2402 4.5349 4.5349 5.0013 5.0013 5.9596 5.9596 7.0018 7.0018 7.5453 7.5453 7.7994 7.7994 9.7214 9.7214 9.8743 9.8743 11.0238 11.0238 12.8766 12.8766 k = 0.1781 0.2036-0.0000 ( 1785 PWs) bands (ev): -11.9911 -11.9911 -7.2904 -7.2904 -5.5102 -5.5102 -4.3509 -4.3509 -2.4688 -2.4688 -0.2041 -0.2041 0.8726 0.8726 1.1413 1.1413 2.5869 2.5869 3.1615 3.1615 4.4668 4.4668 5.0089 5.0089 6.0747 6.0747 7.0381 7.0381 7.6293 7.6293 7.7579 7.7579 9.7496 9.7496 9.8072 9.8072 11.0428 11.0428 12.9288 12.9288 k = 0.1859 0.2124-0.0000 ( 1789 PWs) bands (ev): -11.9729 -11.9729 -7.2764 -7.2764 -5.5419 -5.5419 -4.3454 -4.3454 -2.5361 -2.5361 -0.2495 -0.2495 0.8231 0.8231 1.2464 1.2464 2.6216 2.6216 3.0842 3.0842 4.3906 4.3906 5.0190 5.0190 6.1883 6.1883 7.0764 7.0764 7.7121 7.7121 7.7243 7.7243 9.6251 9.6251 9.8967 9.8967 11.0650 11.0650 12.9816 12.9816 k = 0.1936 0.2213-0.0000 ( 1789 PWs) bands (ev): -11.9542 -11.9542 -7.2622 -7.2622 -5.5731 -5.5731 -4.3387 -4.3387 -2.6028 -2.6028 -0.2933 -0.2933 0.7740 0.7740 1.3511 1.3511 2.6532 2.6532 3.0083 3.0083 4.3069 4.3069 5.0317 5.0317 6.2997 6.2997 7.1164 7.1164 7.6986 7.6986 7.7939 7.7939 9.5027 9.5027 9.9897 9.9897 11.0899 11.0899 13.0348 13.0348 k = 0.2014 0.2301-0.0000 ( 1785 PWs) bands (ev): -11.9353 -11.9353 -7.2478 -7.2478 -5.6036 -5.6036 -4.3309 -4.3309 -2.6688 -2.6688 -0.3356 -0.3356 0.7257 0.7257 1.4547 1.4547 2.6814 2.6814 2.9338 2.9338 4.2163 4.2163 5.0471 5.0471 6.4076 6.4076 7.1576 7.1576 7.6809 7.6809 7.8746 7.8746 9.3838 9.3838 10.0861 10.0861 11.1170 11.1170 13.0883 13.0883 k = 0.2091 0.2390-0.0000 ( 1781 PWs) bands (ev): -11.9161 -11.9161 -7.2331 -7.2331 -5.6331 -5.6331 -4.3223 -4.3223 -2.7341 -2.7341 -0.3761 -0.3761 0.6785 0.6785 1.5567 1.5567 2.7062 2.7062 2.8607 2.8607 4.1197 4.1197 5.0652 5.0652 6.5107 6.5107 7.1999 7.1999 7.6713 7.6713 7.9542 7.9542 9.2702 9.2702 10.1859 10.1859 11.1460 11.1460 13.1419 13.1419 k = 0.2169 0.2478-0.0000 ( 1787 PWs) bands (ev): -11.8968 -11.8968 -7.2185 -7.2185 -5.6615 -5.6615 -4.3131 -4.3131 -2.7985 -2.7985 -0.4149 -0.4149 0.6324 0.6324 1.6566 1.6566 2.7275 2.7275 2.7892 2.7892 4.0178 4.0178 5.0861 5.0861 6.6070 6.6070 7.2425 7.2425 7.6696 7.6696 8.0325 8.0325 9.1640 9.1640 10.2887 10.2887 11.1770 11.1770 13.1955 13.1955 k = 0.2246 0.2567-0.0000 ( 1787 PWs) bands (ev): -11.8774 -11.8774 -7.2037 -7.2037 -5.6885 -5.6885 -4.3035 -4.3035 -2.8619 -2.8619 -0.4519 -0.4519 0.5877 0.5877 1.7541 1.7541 2.7192 2.7192 2.7456 2.7456 3.9115 3.9115 5.1097 5.1097 6.6946 6.6946 7.2851 7.2851 7.6761 7.6761 8.1095 8.1095 9.0672 9.0672 10.3945 10.3945 11.2096 11.2096 13.2490 13.2490 k = 0.2323 0.2655-0.0000 ( 1791 PWs) bands (ev): -11.8579 -11.8579 -7.1888 -7.1888 -5.7139 -5.7139 -4.2936 -4.2936 -2.9243 -2.9243 -0.4870 -0.4870 0.5444 0.5444 1.8486 1.8486 2.6508 2.6508 2.7602 2.7602 3.8016 3.8016 5.1359 5.1359 6.7709 6.7709 7.3272 7.3272 7.6906 7.6906 8.1854 8.1854 8.9826 8.9826 10.5031 10.5031 11.2439 11.2439 13.3021 13.3021 k = 0.2401 0.2744-0.0000 ( 1795 PWs) bands (ev): -11.8384 -11.8384 -7.1740 -7.1740 -5.7377 -5.7377 -4.2837 -4.2837 -2.9855 -2.9855 -0.5202 -0.5202 0.5028 0.5028 1.9396 1.9396 2.5840 2.5840 2.7716 2.7716 3.6890 3.6890 5.1647 5.1647 6.8331 6.8331 7.3685 7.3685 7.7130 7.7130 8.2599 8.2599 8.9129 8.9129 10.6143 10.6143 11.2796 11.2796 13.3550 13.3550 k = 0.2478 0.2832-0.0000 ( 1795 PWs) bands (ev): -11.8190 -11.8190 -7.1592 -7.1592 -5.7596 -5.7596 -4.2739 -4.2739 -3.0454 -3.0454 -0.5513 -0.5513 0.4628 0.4628 2.0267 2.0267 2.5189 2.5189 2.7800 2.7800 3.5746 3.5746 5.1960 5.1960 6.8785 6.8785 7.4089 7.4089 7.7431 7.7431 8.3331 8.3331 8.8610 8.8610 10.7279 10.7279 11.3170 11.3170 13.4073 13.4073 k = 0.2556 0.2921-0.0000 ( 1799 PWs) bands (ev): -11.7996 -11.7996 -7.1445 -7.1445 -5.7796 -5.7796 -4.2644 -4.2644 -3.1041 -3.1041 -0.5805 -0.5805 0.4247 0.4247 2.1093 2.1093 2.4555 2.4555 2.7856 2.7856 3.4593 3.4593 5.2294 5.2294 6.9047 6.9047 7.4485 7.4485 7.7803 7.7803 8.4050 8.4050 8.8292 8.8292 10.8438 10.8438 11.3558 11.3558 13.4591 13.4591 k = 0.2633 0.3009-0.0000 ( 1795 PWs) bands (ev): -11.7804 -11.7804 -7.1299 -7.1299 -5.7975 -5.7975 -4.2553 -4.2553 -3.1614 -3.1614 -0.6076 -0.6076 0.3885 0.3885 2.1866 2.1866 2.3939 2.3939 2.7885 2.7885 3.3442 3.3442 5.2649 5.2649 6.9102 6.9102 7.4879 7.4879 7.8239 7.8239 8.4756 8.4756 8.8191 8.8191 10.9617 10.9617 11.3962 11.3962 13.5102 13.5102 k = 0.2711 0.3098-0.0000 ( 1803 PWs) bands (ev): -11.7614 -11.7614 -7.1154 -7.1154 -5.8132 -5.8132 -4.2468 -4.2468 -3.2173 -3.2173 -0.6327 -0.6327 0.3543 0.3543 2.2577 2.2577 2.3340 2.3340 2.7889 2.7889 3.2304 3.2304 5.3022 5.3022 6.8951 6.8951 7.5274 7.5274 7.8729 7.8729 8.5447 8.5447 8.8304 8.8304 11.0814 11.0814 11.4380 11.4380 13.5605 13.5605 k = 0.2788 0.3186-0.0000 ( 1799 PWs) bands (ev): -11.7427 -11.7427 -7.1011 -7.1011 -5.8268 -5.8268 -4.2391 -4.2391 -3.2718 -3.2718 -0.6558 -0.6558 0.3221 0.3221 2.2759 2.2759 2.3210 2.3210 2.7871 2.7871 3.1198 3.1198 5.3411 5.3411 6.8607 6.8607 7.5675 7.5675 7.9267 7.9267 8.6126 8.6126 8.8617 8.8617 11.2027 11.2027 11.4815 11.4815 13.6099 13.6099 k = 0.2866 0.3275-0.0000 ( 1799 PWs) bands (ev): -11.7242 -11.7242 -7.0870 -7.0870 -5.8381 -5.8381 -4.2323 -4.2323 -3.3247 -3.3247 -0.6768 -0.6768 0.2920 0.2920 2.2196 2.2196 2.3741 2.3741 2.7833 2.7833 3.0152 3.0152 5.3814 5.3814 6.8098 6.8098 7.6087 7.6087 7.9846 7.9846 8.6789 8.6789 8.9102 8.9102 11.3252 11.3252 11.5264 11.5264 13.6583 13.6583 k = 0.2943 0.3363-0.0000 ( 1799 PWs) bands (ev): -11.7062 -11.7062 -7.0732 -7.0732 -5.8471 -5.8471 -4.2265 -4.2265 -3.3761 -3.3761 -0.6959 -0.6959 0.2641 0.2641 2.1651 2.1651 2.4121 2.4121 2.7778 2.7778 2.9216 2.9216 5.4228 5.4228 6.7453 6.7453 7.6512 7.6512 8.0458 8.0458 8.7437 8.7437 8.9728 8.9728 11.4489 11.4489 11.5729 11.5729 13.7055 13.7055 k = 0.3020 0.3452-0.0000 ( 1787 PWs) bands (ev): -11.6885 -11.6885 -7.0597 -7.0597 -5.8538 -5.8538 -4.2218 -4.2218 -3.4258 -3.4258 -0.7130 -0.7130 0.2385 0.2385 2.1125 2.1125 2.4267 2.4267 2.7708 2.7708 2.8479 2.8479 5.4652 5.4652 6.6703 6.6703 7.6952 7.6952 8.1102 8.1102 8.8069 8.8069 9.0462 9.0462 11.5735 11.5735 11.6210 11.6210 13.7518 13.7518 k = 0.3098 0.3540-0.0000 ( 1783 PWs) bands (ev): -11.6712 -11.6712 -7.0465 -7.0465 -5.8582 -5.8582 -4.2185 -4.2185 -3.4739 -3.4739 -0.7282 -0.7282 0.2152 0.2152 2.0618 2.0618 2.4072 2.4072 2.7624 2.7624 2.8047 2.8047 5.5083 5.5083 6.5877 6.5877 7.7405 7.7405 8.1770 8.1770 8.8686 8.8686 9.1276 9.1276 11.6707 11.6707 11.6985 11.6985 13.7966 13.7966 k = 0.3175 0.3629-0.0000 ( 1788 PWs) bands (ev): -11.6545 -11.6545 -7.0336 -7.0336 -5.8604 -5.8604 -4.2165 -4.2165 -3.5204 -3.5204 -0.7414 -0.7414 0.1941 0.1941 2.0129 2.0129 2.3527 2.3527 2.7529 2.7529 2.7934 2.7934 5.5515 5.5515 6.4996 6.4996 7.7870 7.7870 8.2461 8.2461 8.9286 8.9286 9.2144 9.2144 11.7221 11.7221 11.8236 11.8236 13.8397 13.8397 k = 0.3253 0.3717-0.0000 ( 1788 PWs) bands (ev): -11.6383 -11.6383 -7.0212 -7.0212 -5.8602 -5.8602 -4.2160 -4.2160 -3.5651 -3.5651 -0.7530 -0.7530 0.1754 0.1754 1.9660 1.9660 2.2746 2.2746 2.7425 2.7425 2.8028 2.8028 5.5951 5.5951 6.4080 6.4080 7.8346 7.8346 8.3174 8.3174 8.9869 8.9869 9.3046 9.3046 11.7751 11.7751 11.9488 11.9488 13.8814 13.8814 k = 0.3330 0.3806-0.0000 ( 1788 PWs) bands (ev): -11.6226 -11.6226 -7.0091 -7.0091 -5.8578 -5.8578 -4.2169 -4.2169 -3.6081 -3.6081 -0.7627 -0.7627 0.1590 0.1590 1.9210 1.9210 2.1850 2.1850 2.7315 2.7315 2.8216 2.8216 5.6386 5.6386 6.3145 6.3145 7.8830 7.8830 8.3907 8.3907 9.0434 9.0434 9.3964 9.3964 11.8298 11.8298 12.0737 12.0737 13.9215 13.9215 k = 0.3408 0.3894-0.0000 ( 1788 PWs) bands (ev): -11.6075 -11.6075 -6.9974 -6.9974 -5.8532 -5.8532 -4.2195 -4.2195 -3.6493 -3.6493 -0.7708 -0.7708 0.1449 0.1449 1.8779 1.8779 2.0907 2.0907 2.7199 2.7199 2.8430 2.8430 5.6819 5.6819 6.2203 6.2203 7.9318 7.9318 8.4657 8.4657 9.0981 9.0981 9.4885 9.4885 11.8860 11.8860 12.1980 12.1980 13.9598 13.9598 k = 0.3485 0.3983-0.0000 ( 1786 PWs) bands (ev): -11.5931 -11.5931 -6.9863 -6.9863 -5.8466 -5.8466 -4.2236 -4.2236 -3.6887 -3.6887 -0.7775 -0.7775 0.1331 0.1331 1.8368 1.8368 1.9952 1.9952 2.7079 2.7079 2.8641 2.8641 5.7247 5.7247 6.1263 6.1263 7.9809 7.9809 8.5422 8.5422 9.1510 9.1510 9.5796 9.5796 11.9438 11.9438 12.3214 12.3214 13.9962 13.9962 k = 0.3563 0.4071-0.0000 ( 1788 PWs) bands (ev): -11.5792 -11.5792 -6.9756 -6.9756 -5.8379 -5.8379 -4.2293 -4.2293 -3.7263 -3.7263 -0.7826 -0.7826 0.1237 0.1237 1.7976 1.7976 1.9004 1.9004 2.6957 2.6957 2.8832 2.8832 5.7667 5.7667 6.0335 6.0335 8.0294 8.0294 8.6199 8.6199 9.2019 9.2019 9.6689 9.6689 12.0030 12.0030 12.4436 12.4436 14.0306 14.0306 k = 0.3640 0.4160-0.0000 ( 1788 PWs) bands (ev): -11.5662 -11.5662 -6.9653 -6.9653 -5.8274 -5.8274 -4.2366 -4.2366 -3.7621 -3.7621 -0.7863 -0.7863 0.1164 0.1164 1.7605 1.7605 1.8077 1.8077 2.6834 2.6834 2.8998 2.8998 5.8080 5.8080 5.9427 5.9427 8.0774 8.0774 8.6987 8.6987 9.2508 9.2508 9.7556 9.7556 12.0634 12.0634 12.5641 12.5641 14.0628 14.0628 k = 0.3718 0.4248-0.0000 ( 1788 PWs) bands (ev): -11.5537 -11.5537 -6.9556 -6.9556 -5.8152 -5.8152 -4.2454 -4.2454 -3.7959 -3.7959 -0.7888 -0.7888 0.1113 0.1113 1.7176 1.7176 1.7253 1.7253 2.6712 2.6712 2.9137 2.9137 5.8481 5.8481 5.8542 5.8542 8.1243 8.1243 8.7780 8.7780 9.2975 9.2975 9.8389 9.8389 12.1249 12.1249 12.6826 12.6826 14.0929 14.0929 k = 0.3795 0.4337-0.0000 ( 1788 PWs) bands (ev): -11.5419 -11.5419 -6.9464 -6.9464 -5.8014 -5.8014 -4.2557 -4.2557 -3.8279 -3.8279 -0.7901 -0.7901 0.1083 0.1083 1.6306 1.6306 1.6921 1.6921 2.6592 2.6592 2.9248 2.9248 5.7687 5.7687 5.8871 5.8871 8.1699 8.1699 8.8576 8.8576 9.3421 9.3421 9.9184 9.9184 12.1871 12.1871 12.7989 12.7989 14.1207 14.1207 k = 0.3872 0.4425-0.0000 ( 1786 PWs) bands (ev): -11.5308 -11.5308 -6.9377 -6.9377 -5.7862 -5.7862 -4.2673 -4.2673 -3.8580 -3.8580 -0.7904 -0.7904 0.1073 0.1073 1.5472 1.5472 1.6610 1.6610 2.6474 2.6474 2.9333 2.9333 5.6866 5.6866 5.9246 5.9246 8.2139 8.2139 8.9370 8.9370 9.3845 9.3845 9.9935 9.9935 12.2497 12.2497 12.9126 12.9126 14.1459 14.1459 k = 0.3950 0.4514-0.0000 ( 1796 PWs) bands (ev): -11.5204 -11.5204 -6.9296 -6.9296 -5.7698 -5.7698 -4.2801 -4.2801 -3.8862 -3.8862 -0.7900 -0.7900 0.1080 0.1080 1.4674 1.4674 1.6319 1.6319 2.6361 2.6361 2.9393 2.9393 5.6082 5.6082 5.9604 5.9604 8.2558 8.2558 9.0154 9.0154 9.4243 9.4243 10.0641 10.0641 12.3118 12.3118 13.0232 13.0232 14.1684 14.1684 k = 0.4027 0.4602-0.0000 ( 1796 PWs) bands (ev): -11.5108 -11.5108 -6.9220 -6.9220 -5.7524 -5.7524 -4.2940 -4.2940 -3.9124 -3.9124 -0.7887 -0.7887 0.1105 0.1105 1.3918 1.3918 1.6048 1.6048 2.6251 2.6251 2.9432 2.9432 5.5340 5.5340 5.9945 5.9945 8.2957 8.2957 9.0924 9.0924 9.4618 9.4618 10.1299 10.1299 12.3738 12.3738 13.1305 13.1305 14.1881 14.1881 k = 0.4105 0.4691-0.0000 ( 1804 PWs) bands (ev): -11.5019 -11.5019 -6.9150 -6.9150 -5.7344 -5.7344 -4.3086 -4.3086 -3.9366 -3.9366 -0.7869 -0.7869 0.1145 0.1145 1.3204 1.3204 1.5797 1.5797 2.6148 2.6148 2.9453 2.9453 5.4642 5.4642 6.0266 6.0266 8.3332 8.3332 9.1674 9.1674 9.4968 9.4968 10.1905 10.1905 12.4347 12.4347 13.2342 13.2342 14.2046 14.2046 k = 0.4182 0.4779-0.0000 ( 1804 PWs) bands (ev): -11.4938 -11.4938 -6.9086 -6.9086 -5.7160 -5.7160 -4.3239 -4.3239 -3.9589 -3.9589 -0.7846 -0.7846 0.1199 0.1199 1.2534 1.2534 1.5567 1.5567 2.6050 2.6050 2.9458 2.9458 5.3992 5.3992 6.0567 6.0567 8.3683 8.3683 9.2396 9.2396 9.5293 9.5293 10.2461 10.2461 12.4940 12.4940 13.3338 13.3338 14.2181 14.2181 k = 0.4260 0.4868-0.0000 ( 1800 PWs) bands (ev): -11.4863 -11.4863 -6.9027 -6.9027 -5.6975 -5.6975 -4.3394 -4.3394 -3.9792 -3.9792 -0.7819 -0.7819 0.1265 0.1265 1.1911 1.1911 1.5358 1.5358 2.5960 2.5960 2.9451 2.9451 5.3392 5.3392 6.0845 6.0845 8.4006 8.4006 9.3085 9.3085 9.5591 9.5591 10.2965 10.2965 12.5510 12.5510 13.4290 13.4290 14.2282 14.2282 k = 0.4337 0.4956-0.0000 ( 1800 PWs) bands (ev): -11.4797 -11.4797 -6.8974 -6.8974 -5.6792 -5.6792 -4.3550 -4.3550 -3.9975 -3.9975 -0.7791 -0.7791 0.1339 0.1339 1.1337 1.1337 1.5169 1.5169 2.5878 2.5878 2.9436 2.9436 5.2844 5.2844 6.1101 6.1101 8.4302 8.4302 9.3732 9.3732 9.5861 9.5861 10.3417 10.3417 12.6049 12.6049 13.5194 13.5194 14.2347 14.2347 k = 0.4415 0.5045-0.0000 ( 1802 PWs) bands (ev): -11.4737 -11.4737 -6.8926 -6.8926 -5.6616 -5.6616 -4.3702 -4.3702 -4.0138 -4.0138 -0.7762 -0.7762 0.1420 0.1420 1.0813 1.0813 1.5001 1.5001 2.5802 2.5802 2.9413 2.9413 5.2351 5.2351 6.1331 6.1331 8.4568 8.4568 9.4330 9.4330 9.6104 9.6104 10.3818 10.3818 12.6551 12.6551 13.6047 13.6047 14.2373 14.2373 k = 0.4415 0.5045-0.0000 ( 1802 PWs) bands (ev): -11.4737 -11.4737 -6.8926 -6.8926 -5.6616 -5.6616 -4.3702 -4.3702 -4.0138 -4.0138 -0.7762 -0.7762 0.1420 0.1420 1.0813 1.0813 1.5001 1.5001 2.5802 2.5802 2.9413 2.9413 5.2351 5.2351 6.1331 6.1331 8.4568 8.4568 9.4330 9.4330 9.6104 9.6104 10.3818 10.3818 12.6551 12.6551 13.6047 13.6047 14.2373 14.2373 k = 0.4298 0.5045-0.0000 ( 1800 PWs) bands (ev): -11.4778 -11.4778 -6.8959 -6.8959 -5.6728 -5.6728 -4.3614 -4.3614 -4.0016 -4.0016 -0.7778 -0.7778 0.1373 0.1373 1.1151 1.1151 1.5115 1.5115 2.5830 2.5830 2.9460 2.9460 5.2678 5.2678 6.1159 6.1159 8.4381 8.4381 9.3942 9.3942 9.5917 9.5917 10.3561 10.3561 12.6224 12.6224 13.5501 13.5501 14.2348 14.2348 k = 0.4182 0.5045-0.0000 ( 1802 PWs) bands (ev): -11.4829 -11.4829 -6.8999 -6.8999 -5.6841 -5.6841 -4.3542 -4.3542 -3.9851 -3.9851 -0.7788 -0.7788 0.1338 0.1338 1.1517 1.1517 1.5252 1.5252 2.5822 2.5822 2.9566 2.9566 5.3054 5.3054 6.0924 6.0924 8.4154 8.4154 9.3521 9.3521 9.5646 9.5646 10.3290 10.3290 12.5867 12.5867 13.4942 13.4942 14.2277 14.2277 k = 0.4066 0.5045-0.0000 ( 1802 PWs) bands (ev): -11.4889 -11.4889 -6.9046 -6.9046 -5.6956 -5.6956 -4.3483 -4.3483 -3.9646 -3.9646 -0.7794 -0.7794 0.1317 0.1317 1.1910 1.1910 1.5414 1.5414 2.5784 2.5784 2.9725 2.9725 5.3477 5.3477 6.0628 6.0628 8.3896 8.3896 9.3061 9.3061 9.5282 9.5282 10.3021 10.3021 12.5479 12.5479 13.4374 13.4374 14.2161 14.2161 k = 0.3950 0.5045-0.0000 ( 1798 PWs) bands (ev): -11.4958 -11.4958 -6.9100 -6.9100 -5.7075 -5.7075 -4.3433 -4.3433 -3.9402 -3.9402 -0.7796 -0.7796 0.1307 0.1307 1.2330 1.2330 1.5602 1.5602 2.5721 2.5721 2.9929 2.9929 5.3946 5.3946 6.0270 6.0270 8.3615 8.3615 9.2563 9.2563 9.4814 9.4814 10.2768 10.2768 12.5058 12.5058 13.3799 13.3799 14.1998 14.1998 k = 0.3834 0.5045-0.0000 ( 1800 PWs) bands (ev): -11.5035 -11.5035 -6.9160 -6.9160 -5.7198 -5.7198 -4.3387 -4.3387 -3.9124 -3.9124 -0.7796 -0.7796 0.1309 0.1309 1.2776 1.2776 1.5819 1.5819 2.5640 2.5640 3.0171 3.0171 5.4458 5.4458 5.9851 5.9851 8.3320 8.3320 9.2023 9.2023 9.4237 9.4237 10.2542 10.2542 12.4601 12.4601 13.3220 13.3220 14.1785 14.1785 k = 0.3718 0.5045-0.0000 ( 1800 PWs) bands (ev): -11.5119 -11.5119 -6.9225 -6.9225 -5.7326 -5.7326 -4.3344 -4.3344 -3.8813 -3.8813 -0.7795 -0.7795 0.1320 0.1320 1.3247 1.3247 1.6066 1.6066 2.5544 2.5544 3.0444 3.0444 5.5014 5.5014 5.9375 5.9375 8.3019 8.3019 9.1439 9.1439 9.3552 9.3552 10.2351 10.2351 12.4107 12.4107 13.2643 13.2643 14.1522 14.1522 k = 0.3601 0.5045-0.0000 ( 1799 PWs) bands (ev): -11.5210 -11.5210 -6.9297 -6.9297 -5.7459 -5.7459 -4.3303 -4.3303 -3.8470 -3.8470 -0.7794 -0.7794 0.1341 0.1341 1.3744 1.3744 1.6344 1.6344 2.5436 2.5436 3.0742 3.0742 5.5610 5.5610 5.8846 5.8846 8.2716 8.2716 9.0813 9.0813 9.2764 9.2764 10.2194 10.2194 12.3575 12.3575 13.2070 13.2070 14.1211 14.1211 k = 0.3485 0.5045-0.0000 ( 1800 PWs) bands (ev): -11.5308 -11.5308 -6.9373 -6.9373 -5.7598 -5.7598 -4.3261 -4.3261 -3.8095 -3.8095 -0.7794 -0.7794 0.1371 0.1371 1.4265 1.4265 1.6654 1.6654 2.5318 2.5318 3.1062 3.1062 5.6246 5.6246 5.8266 5.8266 8.2415 8.2415 9.0144 9.0144 9.1879 9.1879 10.2071 10.2071 12.3002 12.3002 13.1501 13.1501 14.0851 14.0851 k = 0.3369 0.5045-0.0000 ( 1798 PWs) bands (ev): -11.5411 -11.5411 -6.9453 -6.9453 -5.7744 -5.7744 -4.3219 -4.3219 -3.7690 -3.7690 -0.7796 -0.7796 0.1407 0.1407 1.4810 1.4810 1.7000 1.7000 2.5189 2.5189 3.1400 3.1400 5.6919 5.6919 5.7642 5.7642 8.2120 8.2120 8.9434 8.9434 9.0909 9.0909 10.1980 10.1980 12.2387 12.2387 13.0941 13.0941 14.0445 14.0445 k = 0.3253 0.5045-0.0000 ( 1796 PWs) bands (ev): -11.5519 -11.5519 -6.9537 -6.9537 -5.7895 -5.7895 -4.3177 -4.3177 -3.7254 -3.7254 -0.7800 -0.7800 0.1450 0.1450 1.5378 1.5378 1.7380 1.7380 2.5048 2.5048 3.1753 3.1753 5.6981 5.6981 5.7627 5.7627 8.1830 8.1830 8.8687 8.8687 8.9865 8.9865 10.1913 10.1913 12.1731 12.1731 13.0390 13.0390 13.9995 13.9995 k = 0.3137 0.5045-0.0000 ( 1795 PWs) bands (ev): -11.5631 -11.5631 -6.9625 -6.9625 -5.8051 -5.8051 -4.3136 -4.3136 -3.6788 -3.6788 -0.7807 -0.7807 0.1499 0.1499 1.5968 1.5968 1.7796 1.7796 2.4893 2.4893 3.2121 3.2121 5.6291 5.6291 5.8368 5.8368 8.1541 8.1541 8.7909 8.7909 8.8756 8.8756 10.1868 10.1868 12.1032 12.1032 12.9852 12.9852 13.9505 13.9505 k = 0.3020 0.5045-0.0000 ( 1797 PWs) bands (ev): -11.5747 -11.5747 -6.9715 -6.9715 -5.8212 -5.8212 -4.3097 -4.3097 -3.6291 -3.6291 -0.7819 -0.7819 0.1552 0.1552 1.6579 1.6579 1.8248 1.8248 2.4719 2.4719 3.2501 3.2501 5.5580 5.5580 5.9139 5.9139 8.1250 8.1250 8.7105 8.7105 8.7594 8.7594 10.1839 10.1839 12.0290 12.0290 12.9327 12.9327 13.8977 13.8977 k = 0.2904 0.5045-0.0000 ( 1791 PWs) bands (ev): -11.5865 -11.5865 -6.9807 -6.9807 -5.8378 -5.8378 -4.3061 -4.3061 -3.5765 -3.5765 -0.7834 -0.7834 0.1609 0.1609 1.7211 1.7211 1.8738 1.8738 2.4523 2.4523 3.2893 3.2893 5.4858 5.4858 5.9940 5.9940 8.0946 8.0946 8.6288 8.6288 8.6389 8.6389 10.1824 10.1824 11.9508 11.9508 12.8819 12.8819 13.8416 13.8416 k = 0.2788 0.5045-0.0000 ( 1793 PWs) bands (ev): -11.5985 -11.5985 -6.9901 -6.9901 -5.8546 -5.8546 -4.3028 -4.3028 -3.5210 -3.5210 -0.7854 -0.7854 0.1670 0.1670 1.7862 1.7862 1.9264 1.9264 2.4302 2.4302 3.3296 3.3296 5.4132 5.4132 6.0764 6.0764 8.0615 8.0615 8.5147 8.5147 8.5475 8.5475 10.1818 10.1818 11.8684 11.8684 12.8328 12.8328 13.7825 13.7825 k = 0.2672 0.5045-0.0000 ( 1795 PWs) bands (ev): -11.6106 -11.6106 -6.9996 -6.9996 -5.8717 -5.8717 -4.2998 -4.2998 -3.4627 -3.4627 -0.7878 -0.7878 0.1735 0.1735 1.8528 1.8528 1.9826 1.9826 2.4051 2.4051 3.3708 3.3708 5.3414 5.3414 6.1610 6.1610 8.0235 8.0235 8.3881 8.3881 8.4688 8.4688 10.1819 10.1819 11.7821 11.7821 12.7855 12.7855 13.7209 13.7209 k = 0.2556 0.5045-0.0000 ( 1793 PWs) bands (ev): -11.6228 -11.6228 -7.0091 -7.0091 -5.8889 -5.8889 -4.2973 -4.2973 -3.4017 -3.4017 -0.7906 -0.7906 0.1804 0.1804 1.9207 1.9207 2.0424 2.0424 2.3770 2.3770 3.4129 3.4129 5.2713 5.2713 6.2472 6.2472 7.9778 7.9778 8.2600 8.2600 8.3957 8.3957 10.1825 10.1825 11.6920 11.6920 12.7402 12.7402 13.6573 13.6573 k = 0.2440 0.5045-0.0000 ( 1795 PWs) bands (ev): -11.6349 -11.6349 -7.0187 -7.0187 -5.9062 -5.9062 -4.2953 -4.2953 -3.3383 -3.3383 -0.7939 -0.7939 0.1876 0.1876 1.9892 1.9892 2.1057 2.1057 2.3457 2.3457 3.4556 3.4556 5.2038 5.2038 6.3344 6.3344 7.9213 7.9213 8.1314 8.1314 8.3315 8.3315 10.1834 10.1834 11.5982 11.5982 12.6969 12.6969 13.5921 13.5921 k = 0.2323 0.5045-0.0000 ( 1797 PWs) bands (ev): -11.6470 -11.6470 -7.0281 -7.0281 -5.9234 -5.9234 -4.2937 -4.2937 -3.2728 -3.2728 -0.7975 -0.7975 0.1953 0.1953 2.0566 2.0566 2.1723 2.1723 2.3126 2.3126 3.4989 3.4989 5.1400 5.1400 6.4217 6.4217 7.8519 7.8519 8.0037 8.0037 8.2784 8.2784 10.1845 10.1845 11.5010 11.5010 12.6558 12.6558 13.5257 13.5257 k = 0.2207 0.5045-0.0000 ( 1793 PWs) bands (ev): -11.6588 -11.6588 -7.0375 -7.0375 -5.9404 -5.9404 -4.2926 -4.2926 -3.2053 -3.2053 -0.8014 -0.8014 0.2035 0.2035 2.1168 2.1168 2.2422 2.2422 2.2831 2.2831 3.5424 3.5424 5.0807 5.0807 6.5076 6.5076 7.7697 7.7697 7.8788 7.8788 8.2366 8.2366 10.1855 10.1855 11.4007 11.4007 12.6170 12.6170 13.4587 13.4587 k = 0.2091 0.5045-0.0000 ( 1787 PWs) bands (ev): -11.6705 -11.6705 -7.0466 -7.0466 -5.9571 -5.9571 -4.2920 -4.2920 -3.1363 -3.1363 -0.8056 -0.8056 0.2123 0.2123 2.1470 2.1470 2.2797 2.2797 2.3152 2.3152 3.5858 3.5858 5.0268 5.0268 6.5899 6.5899 7.6763 7.6763 7.7593 7.7593 8.2045 8.2045 10.1863 10.1863 11.2977 11.2977 12.5805 12.5805 13.3915 13.3915 k = 0.1975 0.5045-0.0000 ( 1786 PWs) bands (ev): -11.6819 -11.6819 -7.0556 -7.0556 -5.9734 -5.9734 -4.2917 -4.2917 -3.0660 -3.0660 -0.8101 -0.8101 0.2219 0.2219 2.1247 2.1247 2.3245 2.3245 2.3909 2.3909 3.6286 3.6286 4.9792 4.9792 6.6643 6.6643 7.5744 7.5744 7.6495 7.6495 8.1797 8.1797 10.1867 10.1867 11.1922 11.1922 12.5465 12.5465 13.3245 13.3245 k = 0.1859 0.5045-0.0000 ( 1788 PWs) bands (ev): -11.6929 -11.6929 -7.0644 -7.0644 -5.9893 -5.9893 -4.2919 -4.2919 -2.9949 -2.9949 -0.8147 -0.8147 0.2323 0.2323 2.0763 2.0763 2.3908 2.3908 2.4692 2.4692 3.6703 3.6703 4.9386 4.9386 6.7241 6.7241 7.4659 7.4659 7.5566 7.5566 8.1604 8.1604 10.1865 10.1865 11.0847 11.0847 12.5148 12.5148 13.2580 13.2580 k = 0.1743 0.5045-0.0000 ( 1787 PWs) bands (ev): -11.7035 -11.7035 -7.0728 -7.0728 -6.0046 -6.0046 -4.2923 -4.2923 -2.9234 -2.9234 -0.8195 -0.8195 0.2438 0.2438 2.0173 2.0173 2.4631 2.4631 2.5497 2.5497 3.7102 3.7102 4.9058 4.9058 6.7585 6.7585 7.3529 7.3529 7.4920 7.4920 8.1449 8.1449 10.1854 10.1854 10.9758 10.9758 12.4857 12.4857 13.1925 13.1925 k = 0.1626 0.5045-0.0000 ( 1787 PWs) bands (ev): -11.7137 -11.7137 -7.0809 -7.0809 -6.0193 -6.0193 -4.2930 -4.2930 -2.8520 -2.8520 -0.8243 -0.8243 0.2565 0.2565 1.9519 1.9519 2.5371 2.5371 2.6321 2.6321 3.7478 3.7478 4.8816 4.8816 6.7556 6.7556 7.2365 7.2365 7.4676 7.4676 8.1324 8.1324 10.1828 10.1828 10.8661 10.8661 12.4590 12.4590 13.1284 13.1284 k = 0.1510 0.5045-0.0000 ( 1787 PWs) bands (ev): -11.7234 -11.7234 -7.0886 -7.0886 -6.0332 -6.0332 -4.2940 -4.2940 -2.7812 -2.7812 -0.8291 -0.8291 0.2706 0.2706 1.8817 1.8817 2.6115 2.6115 2.7160 2.7160 3.7822 3.7822 4.8666 4.8666 6.7124 6.7124 7.1177 7.1177 7.4868 7.4868 8.1220 8.1220 10.1779 10.1779 10.7570 10.7570 12.4350 12.4350 13.0662 13.0662 k = 0.1394 0.5045-0.0000 ( 1790 PWs) bands (ev): -11.7326 -11.7326 -7.0959 -7.0959 -6.0464 -6.0464 -4.2952 -4.2952 -2.7116 -2.7116 -0.8338 -0.8338 0.2864 0.2864 1.8076 1.8076 2.6852 2.6852 2.8008 2.8008 3.8126 3.8126 4.8616 4.8616 6.6380 6.6380 6.9973 6.9973 7.5410 7.5410 8.1133 8.1133 10.1693 10.1693 10.6499 10.6499 12.4136 12.4136 13.0060 13.0060 k = 0.1278 0.5045-0.0000 ( 1790 PWs) bands (ev): -11.7412 -11.7412 -7.1027 -7.1027 -6.0588 -6.0588 -4.2964 -4.2964 -2.6439 -2.6439 -0.8384 -0.8384 0.3040 0.3040 1.7305 1.7305 2.7576 2.7576 2.8860 2.8860 3.8384 3.8384 4.8668 4.8668 6.5454 6.5454 6.8761 6.8761 7.6177 7.6177 8.1059 8.1059 10.1541 10.1541 10.5483 10.5483 12.3948 12.3948 12.9484 12.9484 k = 0.1162 0.5045-0.0000 ( 1792 PWs) bands (ev): -11.7492 -11.7492 -7.1090 -7.1090 -6.0703 -6.0703 -4.2977 -4.2977 -2.5785 -2.5785 -0.8428 -0.8428 0.3237 0.3237 1.6515 1.6515 2.8279 2.8279 2.9710 2.9710 3.8591 3.8591 4.8827 4.8827 6.4437 6.4437 6.7546 6.7546 7.7080 7.7080 8.0995 8.0995 10.1271 10.1271 10.4576 10.4576 12.3786 12.3786 12.8936 12.8936 k = 0.1046 0.5045-0.0000 ( 1789 PWs) bands (ev): -11.7565 -11.7565 -7.1148 -7.1148 -6.0808 -6.0808 -4.2991 -4.2991 -2.5163 -2.5163 -0.8469 -0.8469 0.3456 0.3456 1.5713 1.5713 2.8957 2.8957 3.0549 3.0549 3.8746 3.8746 4.9092 4.9092 6.3393 6.3393 6.6334 6.6334 7.8064 7.8064 8.0941 8.0941 10.0809 10.0809 10.3859 10.3859 12.3650 12.3650 12.8420 12.8420 k = 0.0929 0.5045-0.0000 ( 1778 PWs) bands (ev): -11.7631 -11.7631 -7.1200 -7.1200 -6.0903 -6.0903 -4.3004 -4.3004 -2.4580 -2.4580 -0.8507 -0.8507 0.3699 0.3699 1.4910 1.4910 2.9600 2.9600 3.1367 3.1367 3.8850 3.8850 4.9459 4.9459 6.2359 6.2359 6.5130 6.5130 7.9095 7.9095 8.0895 8.0895 10.0114 10.0114 10.3378 10.3378 12.3540 12.3540 12.7940 12.7940 k = 0.0813 0.5045-0.0000 ( 1778 PWs) bands (ev): -11.7690 -11.7690 -7.1248 -7.1248 -6.0988 -6.0988 -4.3017 -4.3017 -2.4042 -2.4042 -0.8542 -0.8542 0.3964 0.3964 1.4118 1.4118 3.0202 3.0202 3.2151 3.2151 3.8906 3.8906 4.9919 4.9919 6.1363 6.1363 6.3942 6.3942 8.0148 8.0148 8.0855 8.0855 9.9231 9.9231 10.3094 10.3094 12.3454 12.3454 12.7498 12.7498 k = 0.0697 0.5045-0.0000 ( 1778 PWs) bands (ev): -11.7742 -11.7742 -7.1289 -7.1289 -6.1063 -6.1063 -4.3029 -4.3029 -2.3558 -2.3558 -0.8573 -0.8573 0.4251 0.4251 1.3347 1.3347 3.0755 3.0755 3.2888 3.2888 3.8922 3.8922 5.0464 5.0464 6.0431 6.0431 6.2775 6.2775 8.0819 8.0819 8.1207 8.1207 9.8249 9.8249 10.2931 10.2931 12.3391 12.3391 12.7098 12.7098 k = 0.0581 0.5045-0.0000 ( 1782 PWs) bands (ev): -11.7786 -11.7786 -7.1324 -7.1324 -6.1126 -6.1126 -4.3040 -4.3040 -2.3133 -2.3133 -0.8599 -0.8599 0.4555 0.4555 1.2616 1.2616 3.1249 3.1249 3.3562 3.3562 3.8909 3.8909 5.1081 5.1081 5.9584 5.9584 6.1640 6.1640 8.0791 8.0791 8.2247 8.2247 9.7237 9.7237 10.2834 10.2834 12.3349 12.3349 12.6745 12.6745 k = 0.0465 0.5045-0.0000 ( 1784 PWs) bands (ev): -11.7823 -11.7823 -7.1353 -7.1353 -6.1178 -6.1178 -4.3049 -4.3049 -2.2776 -2.2776 -0.8622 -0.8622 0.4866 0.4866 1.1940 1.1940 3.1674 3.1674 3.4154 3.4154 3.8875 3.8875 5.1753 5.1753 5.8846 5.8846 6.0550 6.0550 8.0769 8.0769 8.3242 8.3242 9.6246 9.6246 10.2776 10.2776 12.3325 12.3325 12.6444 12.6444 k = 0.0349 0.5045-0.0000 ( 1784 PWs) bands (ev): -11.7851 -11.7851 -7.1376 -7.1376 -6.1219 -6.1219 -4.3056 -4.3056 -2.2491 -2.2491 -0.8640 -0.8640 0.5167 0.5167 1.1347 1.1347 3.2021 3.2021 3.4643 3.4643 3.8832 3.8832 5.2453 5.2453 5.8240 5.8240 5.9528 5.9528 8.0751 8.0751 8.4154 8.4154 9.5331 9.5331 10.2740 10.2740 12.3314 12.3314 12.6199 12.6199 k = 0.0232 0.5045-0.0000 ( 1788 PWs) bands (ev): -11.7872 -11.7872 -7.1393 -7.1393 -6.1249 -6.1249 -4.3062 -4.3062 -2.2283 -2.2283 -0.8653 -0.8653 0.5430 0.5430 1.0870 1.0870 3.2278 3.2278 3.5011 3.5011 3.8791 3.8791 5.3134 5.3134 5.7788 5.7788 5.8620 5.8620 8.0738 8.0738 8.4919 8.4919 9.4559 9.4559 10.2717 10.2717 12.3310 12.3310 12.6018 12.6018 k = 0.0116 0.5045-0.0000 ( 1790 PWs) bands (ev): -11.7884 -11.7884 -7.1402 -7.1402 -6.1266 -6.1266 -4.3065 -4.3065 -2.2157 -2.2157 -0.8660 -0.8660 0.5616 0.5616 1.0553 1.0553 3.2436 3.2436 3.5240 3.5240 3.8763 3.8763 5.3691 5.3691 5.7508 5.7508 5.7927 5.7927 8.0730 8.0730 8.5448 8.5448 9.4026 9.4026 10.2705 10.2705 12.3312 12.3312 12.5906 12.5906 k = 0.0000 0.5045-0.0000 ( 1790 PWs) bands (ev): -11.7888 -11.7888 -7.1406 -7.1406 -6.1272 -6.1272 -4.3066 -4.3066 -2.2115 -2.2115 -0.8663 -0.8663 0.5684 0.5684 1.0441 1.0441 3.2490 3.2490 3.5317 3.5317 3.8752 3.8752 5.3924 5.3924 5.7414 5.7414 5.7648 5.7648 8.0728 8.0728 8.5640 8.5640 9.3832 9.3832 10.2702 10.2702 12.3312 12.3312 12.5869 12.5869 k = 0.0000 0.5045-0.0000 ( 1790 PWs) bands (ev): -11.7888 -11.7888 -7.1406 -7.1406 -6.1272 -6.1272 -4.3066 -4.3066 -2.2115 -2.2115 -0.8663 -0.8663 0.5684 0.5684 1.0441 1.0441 3.2490 3.2490 3.5317 3.5317 3.8752 3.8752 5.3924 5.3924 5.7414 5.7414 5.7648 5.7648 8.0728 8.0728 8.5640 8.5640 9.3832 9.3832 10.2702 10.2702 12.3312 12.3312 12.5869 12.5869 k = 0.0000 0.5045 0.0117 ( 1790 PWs) bands (ev): -11.7879 -11.7879 -7.1472 -7.1472 -6.1263 -6.1263 -4.2985 -4.2985 -2.2135 -2.2135 -0.8712 -0.8712 0.5761 0.5761 1.0446 1.0446 3.2479 3.2479 3.5042 3.5042 3.9027 3.9027 5.3944 5.3944 5.7176 5.7176 5.7852 5.7852 8.0721 8.0721 8.5614 8.5614 9.3823 9.3823 10.2683 10.2683 12.3367 12.3367 12.5873 12.5873 k = 0.0000 0.5045 0.0233 ( 1786 PWs) bands (ev): -11.7850 -11.7850 -7.1668 -7.1668 -6.1235 -6.1235 -4.2745 -4.2745 -2.2195 -2.2195 -0.8853 -0.8853 0.5985 0.5985 1.0463 1.0463 3.2446 3.2446 3.4383 3.4383 3.9686 3.9686 5.4002 5.4002 5.6817 5.6817 5.8113 5.8113 8.0699 8.0699 8.5536 8.5536 9.3796 9.3796 10.2628 10.2628 12.3527 12.3527 12.5885 12.5885 k = 0.0000 0.5045 0.0350 ( 1786 PWs) bands (ev): -11.7802 -11.7802 -7.1987 -7.1987 -6.1189 -6.1189 -4.2352 -4.2352 -2.2297 -2.2297 -0.9075 -0.9075 0.6344 0.6344 1.0490 1.0490 3.2390 3.2390 3.3555 3.3555 4.0513 4.0513 5.4099 5.4099 5.6412 5.6412 5.8356 5.8356 8.0663 8.0663 8.5407 8.5407 9.3750 9.3750 10.2537 10.2537 12.3794 12.3794 12.5905 12.5905 k = 0.0000 0.5045 0.0466 ( 1788 PWs) bands (ev): -11.7736 -11.7736 -7.2418 -7.2418 -6.1125 -6.1125 -4.1817 -4.1817 -2.2442 -2.2442 -0.9358 -0.9358 0.6823 0.6823 1.0526 1.0526 3.2311 3.2311 3.2656 3.2656 4.1410 4.1410 5.4234 5.4234 5.5964 5.5964 5.8581 5.8581 8.0612 8.0612 8.5228 8.5228 9.3681 9.3681 10.2415 10.2415 12.4160 12.4160 12.5931 12.5931 k = 0.0000 0.5045 0.0583 ( 1790 PWs) bands (ev): -11.7650 -11.7650 -7.2951 -7.2951 -6.1042 -6.1042 -4.1151 -4.1151 -2.2634 -2.2634 -0.9682 -0.9682 0.7401 0.7401 1.0573 1.0573 3.1727 3.1727 3.2209 3.2209 4.2337 4.2337 5.4408 5.4408 5.5474 5.5474 5.8790 5.8790 8.0547 8.0547 8.5001 8.5001 9.3587 9.3587 10.2265 10.2265 12.4624 12.4624 12.5963 12.5963 k = 0.0000 0.5045 0.0699 ( 1790 PWs) bands (ev): -11.7546 -11.7546 -7.3570 -7.3570 -6.0941 -6.0941 -4.0369 -4.0369 -2.2874 -2.2874 -1.0026 -1.0026 0.8061 0.8061 1.0629 1.0629 3.0784 3.0784 3.2085 3.2085 4.3276 4.3276 5.4619 5.4619 5.4942 5.4942 5.8988 5.8988 8.0468 8.0468 8.4730 8.4730 9.3465 9.3465 10.2093 10.2093 12.5181 12.5181 12.5998 12.5998 k = 0.0000 0.5045 0.0816 ( 1792 PWs) bands (ev): -11.7423 -11.7423 -7.4264 -7.4264 -6.0822 -6.0822 -3.9485 -3.9485 -2.3166 -2.3166 -1.0371 -1.0371 0.8784 0.8784 1.0691 1.0691 2.9839 2.9839 3.1937 3.1937 4.4216 4.4216 5.4369 5.4369 5.4869 5.4869 5.9179 5.9179 8.0374 8.0374 8.4416 8.4416 9.3310 9.3310 10.1901 10.1901 12.5826 12.5826 12.6034 12.6034 k = 0.0000 0.5045 0.0932 ( 1792 PWs) bands (ev): -11.7282 -11.7282 -7.5019 -7.5019 -6.0686 -6.0686 -3.8509 -3.8509 -2.3510 -2.3510 -1.0701 -1.0701 0.9556 0.9556 1.0761 1.0761 2.8898 2.8898 3.1768 3.1768 4.5152 4.5152 5.3760 5.3760 5.5155 5.5155 5.9366 5.9366 8.0267 8.0267 8.4064 8.4064 9.3119 9.3119 10.1694 10.1694 12.6069 12.6069 12.6552 12.6552 k = 0.0000 0.5045 0.1049 ( 1794 PWs) bands (ev): -11.7122 -11.7122 -7.5823 -7.5823 -6.0532 -6.0532 -3.7456 -3.7456 -2.3908 -2.3908 -1.1006 -1.1006 1.0362 1.0362 1.0835 1.0835 2.7965 2.7965 3.1576 3.1576 4.6079 4.6079 5.3114 5.3114 5.5475 5.5475 5.9553 5.9553 8.0148 8.0148 8.3676 8.3676 9.2890 9.2890 10.1476 10.1476 12.6102 12.6102 12.7355 12.7355 k = 0.0000 0.5045 0.1166 ( 1796 PWs) bands (ev): -11.6945 -11.6945 -7.6666 -7.6666 -6.0361 -6.0361 -3.6335 -3.6335 -2.4359 -2.4359 -1.1275 -1.1275 1.0912 1.0912 1.1193 1.1193 2.7043 2.7043 3.1362 3.1362 4.6995 4.6995 5.2436 5.2436 5.5830 5.5830 5.9741 5.9741 8.0017 8.0017 8.3257 8.3257 9.2619 9.2619 10.1251 10.1251 12.6129 12.6129 12.8230 12.8230 k = 0.0000 0.5045 0.1282 ( 1794 PWs) bands (ev): -11.6750 -11.6750 -7.7540 -7.7540 -6.0173 -6.0173 -3.5154 -3.5154 -2.4861 -2.4861 -1.1502 -1.1502 1.0990 1.0990 1.2037 1.2037 2.6137 2.6137 3.1127 3.1127 4.7898 4.7898 5.1729 5.1729 5.6216 5.6216 5.9936 5.9936 7.9875 7.9875 8.2810 8.2810 9.2307 9.2307 10.1021 10.1021 12.6149 12.6149 12.9172 12.9172 k = 0.0000 0.5045 0.1399 ( 1792 PWs) bands (ev): -11.6538 -11.6538 -7.8436 -7.8436 -5.9969 -5.9969 -3.3924 -3.3924 -2.5410 -2.5410 -1.1686 -1.1686 1.1066 1.1066 1.2885 1.2885 2.5250 2.5250 3.0873 3.0873 4.8787 4.8787 5.0997 5.0997 5.6632 5.6632 6.0137 6.0137 7.9722 7.9722 8.2341 8.2341 9.1953 9.1953 10.0786 10.0786 12.6159 12.6159 13.0176 13.0176 k = 0.0000 0.5045 0.1515 ( 1786 PWs) bands (ev): -11.6309 -11.6309 -7.9348 -7.9348 -5.9748 -5.9748 -3.2649 -3.2649 -2.6002 -2.6002 -1.1826 -1.1826 1.1137 1.1137 1.3727 1.3727 2.4388 2.4388 3.0601 3.0601 4.9661 4.9661 5.0244 5.0244 5.7074 5.7074 6.0349 6.0349 7.9560 7.9560 8.1851 8.1851 9.1559 9.1559 10.0548 10.0548 12.6158 12.6158 13.1238 13.1238 k = 0.0000 0.5045 0.1632 ( 1784 PWs) bands (ev): -11.6064 -11.6064 -8.0269 -8.0269 -5.9513 -5.9513 -3.1337 -3.1337 -2.6630 -2.6630 -1.1922 -1.1922 1.1200 1.1200 1.4552 1.4552 2.3556 2.3556 3.0314 3.0314 4.9473 4.9473 5.0518 5.0518 5.7539 5.7539 6.0572 6.0572 7.9388 7.9388 8.1346 8.1346 9.1127 9.1127 10.0305 10.0305 12.6143 12.6143 13.2353 13.2353 k = 0.0000 0.5045 0.1748 ( 1784 PWs) bands (ev): -11.5804 -11.5804 -8.1195 -8.1195 -5.9262 -5.9262 -2.9994 -2.9994 -2.7290 -2.7290 -1.1979 -1.1979 1.1249 1.1249 1.5345 1.5345 2.2767 2.2767 3.0013 3.0013 4.8688 4.8688 5.1358 5.1358 5.8021 5.8021 6.0808 6.0808 7.9207 7.9207 8.0830 8.0830 9.0662 9.0662 10.0059 10.0059 12.6112 12.6112 13.3516 13.3516 k = 0.0000 0.5045 0.1865 ( 1786 PWs) bands (ev): -11.5528 -11.5528 -8.2121 -8.2121 -5.8998 -5.8998 -2.8623 -2.8623 -2.7974 -2.7974 -1.1998 -1.1998 1.1280 1.1280 1.6084 1.6084 2.2040 2.2040 2.9703 2.9703 4.7893 4.7893 5.2183 5.2183 5.8516 5.8516 6.1060 6.1060 7.9014 7.9014 8.0307 8.0307 9.0169 9.0169 9.9809 9.9809 12.6065 12.6065 13.4723 13.4723 k = 0.0000 0.5045 0.1981 ( 1788 PWs) bands (ev): -11.5238 -11.5238 -8.3042 -8.3042 -5.8720 -5.8720 -2.8678 -2.8678 -2.7230 -2.7230 -1.1983 -1.1983 1.1287 1.1287 1.6726 1.6726 2.1413 2.1413 2.9388 2.9388 4.7091 4.7091 5.2993 5.2993 5.9019 5.9019 6.1327 6.1327 7.8810 7.8810 7.9780 7.9780 8.9655 8.9655 9.9555 9.9555 12.6001 12.6001 13.5971 13.5971 k = 0.0000 0.5045 0.2098 ( 1786 PWs) bands (ev): -11.4935 -11.4935 -8.3955 -8.3955 -5.8430 -5.8430 -2.9393 -2.9393 -2.5817 -2.5817 -1.1939 -1.1939 1.1265 1.1265 1.7194 1.7194 2.0965 2.0965 2.9075 2.9075 4.6287 4.6287 5.3789 5.3789 5.9523 5.9523 6.1612 6.1612 7.8593 7.8593 7.9253 7.9253 8.9126 8.9126 9.9297 9.9297 12.5920 12.5920 13.7256 13.7256 k = 0.0000 0.5045 0.2215 ( 1786 PWs) bands (ev): -11.4620 -11.4620 -8.4857 -8.4857 -5.8128 -5.8128 -3.0116 -3.0116 -2.4389 -2.4389 -1.1869 -1.1869 1.1205 1.1205 1.7371 1.7371 2.0808 2.0808 2.8767 2.8767 4.5484 4.5484 5.4571 5.4571 6.0023 6.0023 6.1916 6.1916 7.8360 7.8360 7.8730 7.8730 8.8590 8.8590 9.9036 9.9036 12.5822 12.5822 13.8572 13.8572 k = 0.0000 0.5045 0.2331 ( 1782 PWs) bands (ev): -11.4294 -11.4294 -8.5744 -8.5744 -5.7817 -5.7817 -3.0841 -3.0841 -2.2949 -2.2949 -1.1776 -1.1776 1.1100 1.1100 1.7210 1.7210 2.0989 2.0989 2.8473 2.8473 4.4684 4.4684 5.5339 5.5339 6.0513 6.0513 6.2240 6.2240 7.8107 7.8107 7.8216 7.8216 8.8055 8.8055 9.8774 9.8774 12.5708 12.5708 13.9917 13.9917 k = 0.0000 0.5045 0.2448 ( 1778 PWs) bands (ev): -11.3959 -11.3959 -8.6612 -8.6612 -5.7498 -5.7498 -3.1562 -3.1562 -2.1500 -2.1500 -1.1665 -1.1665 1.0944 1.0944 1.6811 1.6811 2.1406 2.1406 2.8200 2.8200 4.3892 4.3892 5.6094 5.6094 6.0988 6.0988 6.2583 6.2583 7.7709 7.7709 7.7835 7.7835 8.7530 8.7530 9.8509 9.8509 12.5579 12.5579 14.1284 14.1284 k = 0.0000 0.5045 0.2564 ( 1776 PWs) bands (ev): -11.3616 -11.3616 -8.7459 -8.7459 -5.7171 -5.7171 -3.2275 -3.2275 -2.0045 -2.0045 -1.1539 -1.1539 1.0728 1.0728 1.6299 1.6299 2.1933 2.1933 2.7953 2.7953 4.3110 4.3110 5.6834 5.6834 6.1441 6.1441 6.2948 6.2948 7.7220 7.7220 7.7533 7.7533 8.7022 8.7022 9.8246 9.8246 12.5437 12.5437 14.2669 14.2669 k = 0.0000 0.5045 0.2681 ( 1780 PWs) bands (ev): -11.3267 -11.3267 -8.8282 -8.8282 -5.6841 -5.6841 -3.2976 -3.2976 -1.8587 -1.8587 -1.1402 -1.1402 1.0444 1.0444 1.5744 1.5744 2.2498 2.2498 2.7740 2.7740 4.2342 4.2342 5.7558 5.7558 6.1868 6.1868 6.3334 6.3334 7.6745 7.6745 7.7200 7.7200 8.6540 8.6540 9.7984 9.7984 12.5284 12.5284 14.4065 14.4065 k = 0.0000 0.5045 0.2797 ( 1778 PWs) bands (ev): -11.2915 -11.2915 -8.9076 -8.9076 -5.6508 -5.6508 -3.3658 -3.3658 -1.7130 -1.7130 -1.1256 -1.1256 1.0089 1.0089 1.5186 1.5186 2.3064 2.3064 2.7567 2.7567 4.1592 4.1592 5.8265 5.8265 6.2265 6.2265 6.3742 6.3742 7.6291 7.6291 7.6834 7.6834 8.6091 8.6091 9.7729 9.7729 12.5123 12.5123 14.5466 14.5466 k = 0.0000 0.5045 0.2914 ( 1778 PWs) bands (ev): -11.2563 -11.2563 -8.9838 -8.9838 -5.6175 -5.6175 -3.4318 -3.4318 -1.5676 -1.5676 -1.1105 -1.1105 0.9655 0.9655 1.4640 1.4640 2.3613 2.3613 2.7437 2.7437 4.0864 4.0864 5.8951 5.8951 6.2627 6.2627 6.4171 6.4171 7.5858 7.5858 7.6431 7.6431 8.5681 8.5681 9.7480 9.7480 12.4958 12.4958 14.6019 14.6019 k = 0.0000 0.5045 0.3030 ( 1780 PWs) bands (ev): -11.2215 -11.2215 -9.0564 -9.0564 -5.5847 -5.5847 -3.4951 -3.4951 -1.4227 -1.4227 -1.0952 -1.0952 0.9142 0.9142 1.4119 1.4119 2.4134 2.4134 2.7352 2.7352 4.0161 4.0161 5.9613 5.9613 6.2953 6.2953 6.4622 6.4622 7.5450 7.5450 7.5991 7.5991 8.5314 8.5314 9.7241 9.7241 12.4791 12.4791 14.5740 14.5740 k = 0.0000 0.5045 0.3147 ( 1776 PWs) bands (ev): -11.1873 -11.1873 -9.1248 -9.1248 -5.5526 -5.5526 -3.5551 -3.5551 -1.2787 -1.2787 -1.0801 -1.0801 0.8549 0.8549 1.3631 1.3631 2.4619 2.4619 2.7313 2.7313 3.9488 3.9488 6.0249 6.0249 6.3242 6.3242 6.5095 6.5095 7.5066 7.5066 7.5513 7.5513 8.4991 8.4991 9.7014 9.7014 12.4626 12.4626 14.5478 14.5478 k = 0.0000 0.5045 0.3264 ( 1776 PWs) bands (ev): -11.1542 -11.1542 -9.1887 -9.1887 -5.5217 -5.5217 -3.6113 -3.6113 -1.1363 -1.1363 -1.0654 -1.0654 0.7876 0.7876 1.3180 1.3180 2.5063 2.5063 2.7315 2.7315 3.8850 3.8850 6.0852 6.0852 6.3490 6.3490 6.5589 6.5589 7.4711 7.4711 7.5001 7.5001 8.4714 8.4714 9.6803 9.6803 12.4467 12.4467 14.5236 14.5236 k = 0.0000 0.5045 0.3380 ( 1774 PWs) bands (ev): -11.1228 -11.1228 -9.2474 -9.2474 -5.4924 -5.4924 -3.6631 -3.6631 -1.0516 -1.0516 -0.9956 -0.9956 0.7128 0.7128 1.2771 1.2771 2.5462 2.5462 2.7355 2.7355 3.8254 3.8254 6.1416 6.1416 6.3699 6.3699 6.6103 6.6103 7.4385 7.4385 7.4457 7.4457 8.4481 8.4481 9.6608 9.6608 12.4317 12.4317 14.5013 14.5013 k = 0.0000 0.5045 0.3497 ( 1772 PWs) bands (ev): -11.0937 -11.0937 -9.3003 -9.3003 -5.4653 -5.4653 -3.7099 -3.7099 -1.0388 -1.0388 -0.8573 -0.8573 0.6311 0.6311 1.2409 1.2409 2.5814 2.5814 2.7424 2.7424 3.7706 3.7706 6.1935 6.1935 6.3869 6.3869 6.6638 6.6638 7.3885 7.3885 7.4093 7.4093 8.4288 8.4288 9.6434 9.6434 12.4180 12.4180 14.4814 14.4814 k = 0.0000 0.5045 0.3613 ( 1776 PWs) bands (ev): -11.0674 -11.0674 -9.3467 -9.3467 -5.4410 -5.4410 -3.7510 -3.7510 -1.0274 -1.0274 -0.7221 -0.7221 0.5433 0.5433 1.2095 1.2095 2.6115 2.6115 2.7513 2.7513 3.7216 3.7216 6.2403 6.2403 6.3999 6.3999 6.7190 6.7190 7.3291 7.3291 7.3834 7.3834 8.4133 8.4133 9.6283 9.6283 12.4059 12.4059 14.4639 14.4639 k = 0.0000 0.5045 0.3730 ( 1778 PWs) bands (ev): -11.0446 -11.0446 -9.3860 -9.3860 -5.4200 -5.4200 -3.7858 -3.7858 -1.0177 -1.0177 -0.5910 -0.5910 0.4508 0.4508 1.1835 1.1835 2.6364 2.6364 2.7611 2.7611 3.6792 3.6792 6.2812 6.2812 6.4093 6.4093 6.7761 6.7761 7.2681 7.2681 7.3614 7.3614 8.4012 8.4012 9.6155 9.6155 12.3955 12.3955 14.4491 14.4491 k = 0.0000 0.5045 0.3846 ( 1778 PWs) bands (ev): -11.0261 -11.0261 -9.4174 -9.4174 -5.4030 -5.4030 -3.8136 -3.8136 -1.0099 -1.0099 -0.4665 -0.4665 0.3560 0.3560 1.1629 1.1629 2.6560 2.6560 2.7705 2.7705 3.6446 3.6446 6.3155 6.3155 6.4151 6.4151 6.8347 6.8347 7.2060 7.2060 7.3437 7.3437 8.3923 8.3923 9.6054 9.6054 12.3872 12.3872 14.4372 14.4372 k = 0.0000 0.5045 0.3963 ( 1774 PWs) bands (ev): -11.0123 -11.0123 -9.4404 -9.4404 -5.3904 -5.3904 -3.8340 -3.8340 -1.0041 -1.0041 -0.3528 -0.3528 0.2634 0.2634 1.1481 1.1481 2.6700 2.6700 2.7785 2.7785 3.6188 3.6188 6.3422 6.3422 6.4175 6.4175 6.8947 6.8947 7.1433 7.1433 7.3306 7.3306 8.3861 8.3861 9.5981 9.5981 12.3812 12.3812 14.4286 14.4286 k = 0.0000 0.5045 0.4079 ( 1774 PWs) bands (ev): -11.0038 -11.0038 -9.4544 -9.4544 -5.3826 -5.3826 -3.8464 -3.8464 -1.0006 -1.0006 -0.2620 -0.2620 0.1851 0.1851 1.1392 1.1392 2.6785 2.6785 2.7837 2.7837 3.6029 3.6029 6.3600 6.3600 6.4175 6.4175 6.9558 6.9558 7.0805 7.0805 7.3226 7.3226 8.3825 8.3825 9.5937 9.5937 12.3775 12.3775 14.4233 14.4233 k = 0.0000 0.5045 0.4196 ( 1772 PWs) bands (ev): -11.0009 -11.0009 -9.4591 -9.4591 -5.3800 -5.3800 -3.8506 -3.8506 -0.9994 -0.9994 -0.2232 -0.2232 0.1505 0.1505 1.1362 1.1362 2.6813 2.6813 2.7856 2.7856 3.5975 3.5975 6.3665 6.3665 6.4170 6.4170 7.0175 7.0175 7.0181 7.0181 7.3199 7.3199 8.3813 8.3813 9.5922 9.5922 12.3763 12.3763 14.4215 14.4215 k = 0.0000 0.5045 0.4196 ( 1772 PWs) bands (ev): -11.0009 -11.0009 -9.4591 -9.4591 -5.3800 -5.3800 -3.8506 -3.8506 -0.9994 -0.9994 -0.2232 -0.2232 0.1505 0.1505 1.1362 1.1362 2.6813 2.6813 2.7856 2.7856 3.5975 3.5975 6.3665 6.3665 6.4170 6.4170 7.0175 7.0175 7.0181 7.0181 7.3199 7.3199 8.3813 8.3813 9.5922 9.5922 12.3763 12.3763 14.4215 14.4215 k = 0.0116 0.5045 0.4196 ( 1776 PWs) bands (ev): -11.0006 -11.0006 -9.4587 -9.4587 -5.3795 -5.3795 -3.8499 -3.8499 -1.0050 -1.0050 -0.2256 -0.2256 0.1509 0.1509 1.1300 1.1300 2.6817 2.6817 2.7918 2.7918 3.6053 3.6053 6.3611 6.3611 6.4028 6.4028 7.0001 7.0001 7.0342 7.0342 7.3356 7.3356 8.3896 8.3896 9.5931 9.5931 12.3770 12.3770 14.4204 14.4204 k = 0.0232 0.5045 0.4196 ( 1780 PWs) bands (ev): -10.9995 -10.9995 -9.4574 -9.4574 -5.3781 -5.3781 -3.8481 -3.8481 -1.0216 -1.0216 -0.2328 -0.2328 0.1519 0.1519 1.1119 1.1119 2.6829 2.6829 2.8103 2.8103 3.6283 3.6283 6.3447 6.3447 6.3644 6.3644 6.9578 6.9578 7.0785 7.0785 7.3731 7.3731 8.4147 8.4147 9.5957 9.5957 12.3790 12.3790 14.4172 14.4172 k = 0.0349 0.5045 0.4196 ( 1776 PWs) bands (ev): -10.9977 -10.9977 -9.4552 -9.4552 -5.3758 -5.3758 -3.8449 -3.8449 -1.0486 -1.0486 -0.2447 -0.2447 0.1535 0.1535 1.0826 1.0826 2.6849 2.6849 2.8408 2.8408 3.6658 3.6658 6.3098 6.3098 6.3165 6.3165 6.9066 6.9066 7.1429 7.1429 7.4180 7.4180 8.4561 8.4561 9.6000 9.6000 12.3824 12.3824 14.4119 14.4119 k = 0.0465 0.5045 0.4196 ( 1778 PWs) bands (ev): -10.9951 -10.9951 -9.4521 -9.4521 -5.3726 -5.3726 -3.8405 -3.8405 -1.0855 -1.0855 -0.2613 -0.2613 0.1555 0.1555 1.0433 1.0433 2.6877 2.6877 2.8825 2.8825 3.7162 3.7162 6.2463 6.2463 6.2756 6.2756 6.8564 6.8564 7.2202 7.2202 7.4616 7.4616 8.5131 8.5131 9.6061 9.6061 12.3872 12.3872 14.4048 14.4048 k = 0.0581 0.5045 0.4196 ( 1778 PWs) bands (ev): -10.9919 -10.9919 -9.4482 -9.4482 -5.3684 -5.3684 -3.8349 -3.8349 -1.1313 -1.1313 -0.2824 -0.2824 0.1577 0.1577 0.9952 0.9952 2.6913 2.6913 2.9346 2.9346 3.7781 3.7781 6.1788 6.1788 6.2218 6.2218 6.8123 6.8123 7.3055 7.3055 7.5004 7.5004 8.5844 8.5844 9.6141 9.6141 12.3934 12.3934 14.3960 14.3960 k = 0.0697 0.5045 0.4196 ( 1778 PWs) bands (ev): -10.9880 -10.9880 -9.4435 -9.4435 -5.3634 -5.3634 -3.8280 -3.8280 -1.1851 -1.1851 -0.3079 -0.3079 0.1600 0.1600 0.9398 0.9398 2.6957 2.6957 2.9963 2.9963 3.8496 3.8496 6.1103 6.1103 6.1563 6.1563 6.7762 6.7762 7.3959 7.3959 7.5333 7.5333 8.6684 8.6684 9.6240 9.6240 12.4008 12.4008 14.3858 14.3858 k = 0.0813 0.5045 0.4196 ( 1782 PWs) bands (ev): -10.9834 -10.9834 -9.4379 -9.4379 -5.3575 -5.3575 -3.8200 -3.8200 -1.2458 -1.2458 -0.3377 -0.3377 0.1621 0.1621 0.8785 0.8785 2.7009 2.7009 3.0662 3.0662 3.9286 3.9286 6.0430 6.0430 6.0813 6.0813 6.7479 6.7479 7.4895 7.4895 7.5603 7.5603 8.7630 8.7630 9.6359 9.6359 12.4095 12.4095 14.3745 14.3745 k = 0.0929 0.5045 0.4196 ( 1780 PWs) bands (ev): -10.9782 -10.9782 -9.4315 -9.4315 -5.3508 -5.3508 -3.8108 -3.8108 -1.3125 -1.3125 -0.3713 -0.3713 0.1641 0.1641 0.8125 0.8125 2.7069 2.7069 3.1434 3.1434 4.0135 4.0135 5.9784 5.9784 5.9993 5.9993 6.7262 6.7262 7.5820 7.5820 7.5851 7.5851 8.8664 8.8664 9.6499 9.6499 12.4196 12.4196 14.3624 14.3624 k = 0.1046 0.5045 0.4196 ( 1778 PWs) bands (ev): -10.9723 -10.9723 -9.4244 -9.4244 -5.3433 -5.3433 -3.8004 -3.8004 -1.3841 -1.3841 -0.4088 -0.4088 0.1657 0.1657 0.7429 0.7429 2.7137 2.7137 3.2264 3.2264 4.1020 4.1020 5.9131 5.9131 5.9180 5.9180 6.7097 6.7097 7.5994 7.5994 7.6814 7.6814 8.9768 8.9768 9.6661 9.6661 12.4309 12.4309 14.3499 14.3499 k = 0.1162 0.5045 0.4196 ( 1780 PWs) bands (ev): -10.9658 -10.9658 -9.4165 -9.4165 -5.3350 -5.3350 -3.7889 -3.7889 -1.4598 -1.4598 -0.4496 -0.4496 0.1670 0.1670 0.6706 0.6706 2.7213 2.7213 3.3140 3.3140 4.1920 4.1920 5.8247 5.8247 5.8630 5.8630 6.6974 6.6974 7.6131 7.6131 7.7779 7.7779 9.0924 9.0924 9.6847 9.6847 12.4434 12.4434 14.3374 14.3374 k = 0.1278 0.5045 0.4196 ( 1776 PWs) bands (ev): -10.9587 -10.9587 -9.4080 -9.4080 -5.3259 -5.3259 -3.7763 -3.7763 -1.5387 -1.5387 -0.4934 -0.4934 0.1678 0.1678 0.5965 0.5965 2.7297 2.7297 3.4049 3.4049 4.2813 4.2813 5.7363 5.7363 5.8151 5.8151 6.6883 6.6883 7.6240 7.6240 7.8739 7.8739 9.2120 9.2120 9.7058 9.7058 12.4572 12.4572 14.3251 14.3251 k = 0.1394 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.9511 -10.9511 -9.3987 -9.3987 -5.3161 -5.3161 -3.7626 -3.7626 -1.6200 -1.6200 -0.5400 -0.5400 0.1681 0.1681 0.5210 0.5210 2.7388 2.7388 3.4974 3.4974 4.3672 4.3672 5.6496 5.6496 5.7761 5.7761 6.6819 6.6819 7.6325 7.6325 7.9689 7.9689 9.3345 9.3345 9.7294 9.7294 12.4720 12.4720 14.3134 14.3134 k = 0.1510 0.5045 0.4196 ( 1776 PWs) bands (ev): -10.9430 -10.9430 -9.3889 -9.3889 -5.3057 -5.3057 -3.7480 -3.7480 -1.7031 -1.7031 -0.5888 -0.5888 0.1679 0.1679 0.4446 0.4446 2.7487 2.7487 3.5901 3.5901 4.4469 4.4469 5.5659 5.5659 5.7480 5.7480 6.6777 6.6777 7.6391 7.6391 8.0624 8.0624 9.4588 9.4588 9.7558 9.7558 12.4880 12.4880 14.3027 14.3027 k = 0.1626 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.9344 -10.9344 -9.3784 -9.3784 -5.2946 -5.2946 -3.7324 -3.7324 -1.7873 -1.7873 -0.6394 -0.6394 0.1672 0.1672 0.3677 0.3677 2.7594 2.7594 3.6811 3.6811 4.5175 4.5175 5.4871 5.4871 5.7333 5.7333 6.6758 6.6758 7.6441 7.6441 8.1541 8.1541 9.5841 9.5841 9.7851 9.7851 12.5051 12.5051 14.2933 14.2933 k = 0.1743 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.9254 -10.9254 -9.3675 -9.3675 -5.2830 -5.2830 -3.7158 -3.7158 -1.8723 -1.8723 -0.6914 -0.6914 0.1659 0.1659 0.2906 0.2906 2.7708 2.7708 3.7683 3.7683 4.5757 4.5757 5.4148 5.4148 5.7342 5.7342 6.6757 6.6757 7.6478 7.6478 8.2434 8.2434 9.7098 9.7098 9.8173 9.8173 12.5232 12.5232 14.2855 14.2855 k = 0.1859 0.5045 0.4196 ( 1776 PWs) bands (ev): -10.9160 -10.9160 -9.3560 -9.3560 -5.2708 -5.2708 -3.6984 -3.6984 -1.9572 -1.9572 -0.7443 -0.7443 0.1640 0.1640 0.2133 0.2133 2.7830 2.7830 3.8492 3.8492 4.6195 4.6195 5.3511 5.3511 5.7524 5.7524 6.6778 6.6778 7.6505 7.6505 8.3303 8.3303 9.8352 9.8352 9.8525 9.8525 12.5422 12.5422 14.2796 14.2796 k = 0.1975 0.5045 0.4196 ( 1776 PWs) bands (ev): -10.9063 -10.9063 -9.3442 -9.3442 -5.2582 -5.2582 -3.6802 -3.6802 -2.0419 -2.0419 -0.7977 -0.7977 0.1361 0.1361 0.1617 0.1617 2.7959 2.7959 3.9213 3.9213 4.6478 4.6478 5.2981 5.2981 5.7884 5.7884 6.6823 6.6823 7.6523 7.6523 8.4144 8.4144 9.8905 9.8905 9.9599 9.9599 12.5620 12.5620 14.2758 14.2758 k = 0.2091 0.5045 0.4196 ( 1772 PWs) bands (ev): -10.8962 -10.8962 -9.3320 -9.3320 -5.2451 -5.2451 -3.6613 -3.6613 -2.1258 -2.1258 -0.8510 -0.8510 0.0590 0.0590 0.1588 0.1588 2.8095 2.8095 3.9815 3.9815 4.6612 4.6612 5.2583 5.2583 5.8408 5.8408 6.6893 6.6893 7.6534 7.6534 8.4956 8.4956 9.9315 9.9315 10.0832 10.0832 12.5826 12.5826 14.2745 14.2745 k = 0.2207 0.5045 0.4196 ( 1778 PWs) bands (ev): -10.8860 -10.8860 -9.3195 -9.3195 -5.2317 -5.2317 -3.6417 -3.6417 -2.2087 -2.2087 -0.9039 -0.9039 -0.0178 -0.0178 0.1552 0.1552 2.8238 2.8238 4.0271 4.0271 4.6615 4.6615 5.2334 5.2334 5.9071 5.9071 6.6990 6.6990 7.6538 7.6538 8.5739 8.5739 9.9751 9.9751 10.2046 10.2046 12.6039 12.6039 14.2757 14.2757 k = 0.2323 0.5045 0.4196 ( 1780 PWs) bands (ev): -10.8755 -10.8755 -9.3068 -9.3068 -5.2179 -5.2179 -3.6215 -3.6215 -2.2901 -2.2901 -0.9559 -0.9559 -0.0942 -0.0942 0.1512 0.1512 2.8388 2.8388 4.0563 4.0563 4.6513 4.6513 5.2251 5.2251 5.9842 5.9842 6.7119 6.7119 7.6536 7.6536 8.6494 8.6494 10.0211 10.0211 10.3239 10.3239 12.6258 12.6258 14.2797 14.2797 k = 0.2440 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.8649 -10.8649 -9.2939 -9.2939 -5.2038 -5.2038 -3.6008 -3.6008 -2.3697 -2.3697 -1.0067 -1.0067 -0.1703 -0.1703 0.1466 0.1466 2.8544 2.8544 4.0685 4.0685 4.6333 4.6333 5.2329 5.2329 6.0690 6.0690 6.7284 6.7284 7.6531 7.6531 8.7223 8.7223 10.0694 10.0694 10.4405 10.4405 12.6483 12.6483 14.2868 14.2868 k = 0.2556 0.5045 0.4196 ( 1772 PWs) bands (ev): -10.8542 -10.8542 -9.2809 -9.2809 -5.1895 -5.1895 -3.5798 -3.5798 -2.4474 -2.4474 -1.0559 -1.0559 -0.2458 -0.2458 0.1415 0.1415 2.8706 2.8706 4.0650 4.0650 4.6094 4.6094 5.2549 5.2549 6.1585 6.1585 6.7486 6.7486 7.6520 7.6520 8.7928 8.7928 10.1193 10.1193 10.5541 10.5541 12.6711 12.6711 14.2969 14.2969 k = 0.2672 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.8435 -10.8435 -9.2679 -9.2679 -5.1750 -5.1750 -3.5584 -3.5584 -2.5227 -2.5227 -1.1032 -1.1032 -0.3208 -0.3208 0.1358 0.1358 2.8875 2.8875 4.0482 4.0482 4.5815 4.5815 5.2878 5.2878 6.2505 6.2505 6.7731 6.7731 7.6507 7.6507 8.8611 8.8611 10.1703 10.1703 10.6643 10.6643 12.6942 12.6942 14.3102 14.3102 k = 0.2788 0.5045 0.4196 ( 1776 PWs) bands (ev): -10.8328 -10.8328 -9.2550 -9.2550 -5.1604 -5.1604 -3.5368 -3.5368 -2.5956 -2.5956 -1.1484 -1.1484 -0.3950 -0.3950 0.1296 0.1296 2.9049 2.9049 4.0212 4.0212 4.5508 4.5508 5.3279 5.3279 6.3429 6.3429 6.8019 6.8019 7.6491 7.6491 8.9278 8.9278 10.2220 10.2220 10.7709 10.7709 12.7174 12.7174 14.3267 14.3267 k = 0.2904 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.8222 -10.8222 -9.2422 -9.2422 -5.1457 -5.1457 -3.5152 -3.5152 -2.6656 -2.6656 -1.1910 -1.1910 -0.4684 -0.4684 0.1230 0.1230 2.9228 2.9228 3.9869 3.9869 4.5184 4.5184 5.3717 5.3717 6.4343 6.4343 6.8354 6.8354 7.6473 7.6473 8.9932 8.9932 10.2738 10.2738 10.8736 10.8736 12.7406 12.7406 14.3464 14.3464 k = 0.3020 0.5045 0.4196 ( 1770 PWs) bands (ev): -10.8118 -10.8118 -9.2297 -9.2297 -5.1309 -5.1309 -3.4937 -3.4937 -2.7327 -2.7327 -1.2311 -1.2311 -0.5407 -0.5407 0.1160 0.1160 2.9412 2.9412 3.9479 3.9479 4.4851 4.4851 5.4164 5.4164 6.5234 6.5234 6.8733 6.8733 7.6456 7.6456 9.0576 9.0576 10.3251 10.3251 10.9721 10.9721 12.7637 12.7637 14.3693 14.3693 k = 0.3137 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.8017 -10.8017 -9.2175 -9.2175 -5.1161 -5.1161 -3.4725 -3.4725 -2.7965 -2.7965 -1.2685 -1.2685 -0.6117 -0.6117 0.1085 0.1085 2.9601 2.9601 3.9062 3.9062 4.4513 4.4513 5.4596 5.4596 6.6090 6.6090 6.9153 6.9153 7.6439 7.6439 9.1215 9.1215 10.3752 10.3752 11.0662 11.0662 12.7866 12.7866 14.3950 14.3950 k = 0.3253 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.7918 -10.7918 -9.2057 -9.2057 -5.1013 -5.1013 -3.4517 -3.4517 -2.8568 -2.8568 -1.3031 -1.3031 -0.6812 -0.6812 0.1008 0.1008 2.9794 2.9794 3.8633 3.8633 4.4174 4.4174 5.4999 5.4999 6.6903 6.6903 6.9609 6.9609 7.6424 7.6424 9.1852 9.1852 10.4235 10.4235 11.1558 11.1558 12.8089 12.8089 14.4237 14.4237 k = 0.3369 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.7823 -10.7823 -9.1943 -9.1943 -5.0865 -5.0865 -3.4316 -3.4316 -2.9133 -2.9133 -1.3349 -1.3349 -0.7489 -0.7489 0.0929 0.0929 2.9991 2.9991 3.8204 3.8204 4.3838 4.3838 5.5362 5.5362 6.7666 6.7666 7.0090 7.0090 7.6413 7.6413 9.2489 9.2489 10.4695 10.4695 11.2407 11.2407 12.8307 12.8307 14.4550 14.4550 k = 0.3485 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.7731 -10.7731 -9.1836 -9.1836 -5.0717 -5.0717 -3.4125 -3.4125 -2.9657 -2.9657 -1.3642 -1.3642 -0.8143 -0.8143 0.0847 0.0847 3.0191 3.0191 3.7784 3.7784 4.3507 4.3507 5.5680 5.5680 6.8372 6.8372 7.0587 7.0587 7.6410 7.6410 9.3127 9.3127 10.5126 10.5126 11.3210 11.3210 12.8517 12.8517 14.4885 14.4885 k = 0.3601 0.5045 0.4196 ( 1770 PWs) bands (ev): -10.7645 -10.7645 -9.1734 -9.1734 -5.0569 -5.0569 -3.3948 -3.3948 -3.0136 -3.0136 -1.3912 -1.3912 -0.8768 -0.8768 0.0763 0.0763 3.0393 3.0393 3.7379 3.7379 4.3182 4.3182 5.5954 5.5954 6.9019 6.9019 7.1085 7.1085 7.6417 7.6417 9.3768 9.3768 10.5522 10.5522 11.3966 11.3966 12.8718 12.8718 14.5240 14.5240 k = 0.3718 0.5045 0.4196 ( 1774 PWs) bands (ev): -10.7564 -10.7564 -9.1641 -9.1641 -5.0422 -5.0422 -3.3790 -3.3790 -3.0564 -3.0564 -1.4164 -1.4164 -0.9359 -0.9359 0.0680 0.0680 3.0597 3.0597 3.6994 3.6994 4.2865 4.2865 5.6183 5.6183 6.9603 6.9603 7.1571 7.1571 7.6436 7.6436 9.4410 9.4410 10.5876 10.5876 11.4675 11.4675 12.8907 12.8907 14.5609 14.5609 k = 0.3834 0.5045 0.4196 ( 1778 PWs) bands (ev): -10.7489 -10.7489 -9.1555 -9.1555 -5.0276 -5.0276 -3.3659 -3.3659 -3.0934 -3.0934 -1.4403 -1.4403 -0.9906 -0.9906 0.0598 0.0598 3.0803 3.0803 3.6633 3.6633 4.2558 4.2558 5.6371 5.6371 7.0121 7.0121 7.2027 7.2027 7.6472 7.6472 9.5053 9.5053 10.6186 10.6186 11.5338 11.5338 12.9083 12.9083 14.5986 14.5986 k = 0.3950 0.5045 0.4196 ( 1782 PWs) bands (ev): -10.7420 -10.7420 -9.1478 -9.1478 -5.0129 -5.0129 -3.3565 -3.3565 -3.1236 -3.1236 -1.4640 -1.4640 -1.0398 -1.0398 0.0517 0.0517 3.1009 3.1009 3.6299 3.6299 4.2261 4.2261 5.6521 5.6521 7.0572 7.0572 7.2441 7.2441 7.6527 7.6527 9.5694 9.5694 10.6447 10.6447 11.5956 11.5956 12.9246 12.9246 14.6365 14.6365 k = 0.4066 0.5045 0.4196 ( 1780 PWs) bands (ev): -10.7358 -10.7358 -9.1411 -9.1411 -4.9983 -4.9983 -3.3516 -3.3516 -3.1461 -3.1461 -1.4884 -1.4884 -1.0823 -1.0823 0.0439 0.0439 3.1216 3.1216 3.5994 3.5994 4.1976 4.1976 5.6636 5.6636 7.0958 7.0958 7.2799 7.2799 7.6602 7.6602 9.6331 9.6331 10.6653 10.6653 11.6531 11.6531 12.9393 12.9393 14.6734 14.6734 k = 0.4182 0.5045 0.4196 ( 1790 PWs) bands (ev): -10.7304 -10.7304 -9.1353 -9.1353 -4.9837 -4.9837 -3.3520 -3.3520 -3.1603 -3.1603 -1.5148 -1.5148 -1.1168 -1.1168 0.0365 0.0365 3.1420 3.1420 3.5719 3.5719 4.1703 4.1703 5.6722 5.6722 7.1278 7.1278 7.3093 7.3093 7.6695 7.6695 9.6958 9.6958 10.6800 10.6800 11.7061 11.7061 12.9523 12.9523 14.7056 14.7056 k = 0.4298 0.5045 0.4196 ( 1792 PWs) bands (ev): -10.7258 -10.7258 -9.1306 -9.1306 -4.9691 -4.9691 -3.3571 -3.3571 -3.1668 -3.1668 -1.5439 -1.5439 -1.1424 -1.1424 0.0295 0.0295 3.1623 3.1623 3.5478 3.5478 4.1444 4.1444 5.6780 5.6780 7.1534 7.1534 7.3320 7.3320 7.6799 7.6799 9.7572 9.7572 10.6887 10.6887 11.7550 11.7550 12.9635 12.9635 14.7019 14.7019 k = 0.4415 0.5045 0.4196 ( 1798 PWs) bands (ev): -10.7220 -10.7220 -9.1271 -9.1271 -4.9546 -4.9546 -3.3653 -3.3653 -3.1673 -3.1673 -1.5762 -1.5762 -1.1584 -1.1584 0.0232 0.0232 3.1822 3.1822 3.5269 3.5269 4.1201 4.1201 5.6813 5.6813 7.1725 7.1725 7.3484 7.3484 7.6902 7.6902 9.8167 9.8167 10.6909 10.6909 11.7998 11.7998 12.9729 12.9729 14.6825 14.6825 k = 0.4415 0.5045 0.4196 ( 1798 PWs) bands (ev): -10.7220 -10.7220 -9.1271 -9.1271 -4.9546 -4.9546 -3.3653 -3.3653 -3.1673 -3.1673 -1.5762 -1.5762 -1.1584 -1.1584 0.0232 0.0232 3.1822 3.1822 3.5269 3.5269 4.1201 4.1201 5.6813 5.6813 7.1725 7.1725 7.3484 7.3484 7.6902 7.6902 9.8167 9.8167 10.6909 10.6909 11.7998 11.7998 12.9729 12.9729 14.6825 14.6825 k = 0.4337 0.4956 0.4196 ( 1790 PWs) bands (ev): -10.7275 -10.7275 -9.1320 -9.1320 -4.9776 -4.9776 -3.3505 -3.3505 -3.1702 -3.1702 -1.5218 -1.5218 -1.1399 -1.1399 0.0328 0.0328 3.1510 3.1510 3.5581 3.5581 4.1577 4.1577 5.6775 5.6775 7.1464 7.1464 7.3265 7.3265 7.6745 7.6745 9.7237 9.7237 10.6908 10.6908 11.7308 11.7308 12.9586 12.9586 14.7115 14.7115 k = 0.4260 0.4868 0.4196 ( 1780 PWs) bands (ev): -10.7338 -10.7338 -9.1378 -9.1378 -5.0017 -5.0017 -3.3339 -3.3339 -3.1730 -3.1730 -1.4626 -1.4626 -1.1191 -1.1191 0.0431 0.0431 3.1183 3.1183 3.5928 3.5928 4.1980 4.1980 5.6729 5.6729 7.1172 7.1172 7.3024 7.3024 7.6573 7.6573 9.6249 9.6249 10.6869 10.6869 11.6554 11.6554 12.9417 12.9417 14.7072 14.7072 k = 0.4182 0.4779 0.4196 ( 1784 PWs) bands (ev): -10.7407 -10.7407 -9.1442 -9.1442 -5.0263 -5.0263 -3.3155 -3.3155 -3.1755 -3.1755 -1.3995 -1.3995 -1.0959 -1.0959 0.0537 0.0537 3.0845 3.0845 3.6307 3.6307 4.2407 4.2407 5.6673 5.6673 7.0852 7.0852 7.2762 7.2762 7.6388 7.6388 9.5209 9.5209 10.6795 10.6795 11.5746 11.5746 12.9216 12.9216 14.6480 14.6480 k = 0.4105 0.4691 0.4196 ( 1788 PWs) bands (ev): -10.7482 -10.7482 -9.1515 -9.1515 -5.0512 -5.0512 -3.2954 -3.2954 -3.1776 -3.1776 -1.3328 -1.3328 -1.0706 -1.0706 0.0646 0.0646 3.0497 3.0497 3.6715 3.6715 4.2857 4.2857 5.6606 5.6606 7.0504 7.0504 7.2483 7.2483 7.6192 7.6192 9.4124 9.4124 10.6685 10.6685 11.4889 11.4889 12.8981 12.8981 14.5835 14.5835 k = 0.4027 0.4602 0.4196 ( 1788 PWs) bands (ev): -10.7564 -10.7564 -9.1596 -9.1596 -5.0758 -5.0758 -3.2734 -3.2734 -3.1791 -3.1791 -1.2632 -1.2632 -1.0429 -1.0429 0.0757 0.0757 3.0144 3.0144 3.7151 3.7151 4.3327 4.3327 5.6527 5.6527 7.0131 7.0131 7.2189 7.2189 7.5989 7.5989 9.3000 9.3000 10.6541 10.6541 11.3991 11.3991 12.8708 12.8708 14.5139 14.5139 k = 0.3950 0.4514 0.4196 ( 1784 PWs) bands (ev): -10.7652 -10.7652 -9.1686 -9.1686 -5.0996 -5.0996 -3.2497 -3.2497 -3.1799 -3.1799 -1.1912 -1.1912 -1.0130 -1.0130 0.0867 0.0867 2.9788 2.9788 3.7610 3.7610 4.3817 4.3817 5.6435 5.6435 6.9733 6.9733 7.1885 7.1885 7.5782 7.5782 9.1843 9.1843 10.6366 10.6366 11.3058 11.3058 12.8393 12.8393 14.4397 14.4397 k = 0.3872 0.4425 0.4196 ( 1788 PWs) bands (ev): -10.7746 -10.7746 -9.1785 -9.1785 -5.1225 -5.1225 -3.2243 -3.2243 -3.1799 -3.1799 -1.1175 -1.1175 -0.9809 -0.9809 0.0976 0.0976 2.9432 2.9432 3.8087 3.8087 4.4325 4.4325 5.6328 5.6328 6.9310 6.9310 7.1573 7.1573 7.5568 7.5568 9.0658 9.0658 10.6159 10.6159 11.2096 11.2096 12.8034 12.8034 14.3610 14.3610 k = 0.3795 0.4337 0.4196 ( 1786 PWs) bands (ev): -10.7846 -10.7846 -9.1892 -9.1892 -5.1441 -5.1441 -3.1972 -3.1972 -3.1788 -3.1788 -1.0426 -1.0426 -0.9465 -0.9465 0.1082 0.1082 2.9078 2.9078 3.8579 3.8579 4.4851 4.4851 5.6204 5.6204 6.8865 6.8865 7.1260 7.1260 7.5355 7.5355 8.9452 8.9452 10.5925 10.5925 11.1113 11.1113 12.7625 12.7625 14.2784 14.2784 k = 0.3718 0.4248 0.4196 ( 1786 PWs) bands (ev): -10.7952 -10.7952 -9.2010 -9.2010 -5.1639 -5.1639 -3.1765 -3.1765 -3.1684 -3.1684 -0.9672 -0.9672 -0.9098 -0.9098 0.1183 0.1183 2.8728 2.8728 3.9079 3.9079 4.5394 4.5394 5.6062 5.6062 6.8398 6.8398 7.0950 7.0950 7.5143 7.5143 8.8229 8.8229 10.5663 10.5663 11.0113 11.0113 12.7165 12.7165 14.1921 14.1921 k = 0.3640 0.4160 0.4196 ( 1786 PWs) bands (ev): -10.8063 -10.8063 -9.2136 -9.2136 -5.1818 -5.1818 -3.1730 -3.1730 -3.1379 -3.1379 -0.8916 -0.8916 -0.8710 -0.8710 0.1279 0.1279 2.8385 2.8385 3.9579 3.9579 4.5952 4.5952 5.5899 5.5899 6.7911 6.7911 7.0650 7.0650 7.4935 7.4935 8.6995 8.6995 10.5377 10.5377 10.9102 10.9102 12.6651 12.6651 14.1026 14.1026 k = 0.3563 0.4071 0.4196 ( 1778 PWs) bands (ev): -10.8179 -10.8179 -9.2273 -9.2273 -5.1975 -5.1975 -3.1680 -3.1680 -3.1057 -3.1057 -0.8298 -0.8298 -0.8166 -0.8166 0.1369 0.1369 2.8053 2.8053 4.0072 4.0072 4.6524 4.6524 5.5715 5.5715 6.7404 6.7404 7.0368 7.0368 7.4734 7.4734 8.5757 8.5757 10.5068 10.5068 10.8087 10.8087 12.6080 12.6080 14.0102 14.0102 k = 0.3485 0.3983 0.4196 ( 1774 PWs) bands (ev): -10.8301 -10.8301 -9.2419 -9.2419 -5.2108 -5.2108 -3.1614 -3.1614 -3.0719 -3.0719 -0.7866 -0.7866 -0.7428 -0.7428 0.1454 0.1454 2.7734 2.7734 4.0548 4.0548 4.7110 4.7110 5.5508 5.5508 6.6878 6.6878 7.0113 7.0113 7.4541 7.4541 8.4520 8.4520 10.4738 10.4738 10.7070 10.7070 12.5452 12.5452 13.9153 13.9153 k = 0.3408 0.3894 0.4196 ( 1774 PWs) bands (ev): -10.8427 -10.8427 -9.2574 -9.2574 -5.2215 -5.2215 -3.1533 -3.1533 -3.0366 -3.0366 -0.7411 -0.7411 -0.6708 -0.6708 0.1530 0.1530 2.7432 2.7432 4.0997 4.0997 4.7704 4.7704 5.5276 5.5276 6.6335 6.6335 6.9893 6.9893 7.4359 7.4359 8.3290 8.3290 10.4389 10.4389 10.6056 10.6056 12.4765 12.4765 13.8182 13.8182 k = 0.3330 0.3806 0.4196 ( 1774 PWs) bands (ev): -10.8558 -10.8558 -9.2740 -9.2740 -5.2294 -5.2294 -3.1433 -3.1433 -2.9996 -2.9996 -0.6935 -0.6935 -0.6013 -0.6013 0.1598 0.1598 2.7151 2.7151 4.1408 4.1408 4.8306 4.8306 5.5018 5.5018 6.5777 6.5777 6.9721 6.9721 7.4190 7.4190 8.2074 8.2074 10.4021 10.4021 10.5049 10.5049 12.4021 12.4021 13.7195 13.7195 k = 0.3253 0.3717 0.4196 ( 1774 PWs) bands (ev): -10.8693 -10.8693 -9.2915 -9.2915 -5.2345 -5.2345 -3.1315 -3.1315 -2.9612 -2.9612 -0.6437 -0.6437 -0.5348 -0.5348 0.1658 0.1658 2.6894 2.6894 4.1769 4.1769 4.8911 4.8911 5.4732 5.4732 6.5202 6.5202 6.9607 6.9607 7.4036 7.4036 8.0881 8.0881 10.3638 10.3638 10.4054 10.4054 12.3220 12.3220 13.6192 13.6192 k = 0.3175 0.3629 0.4196 ( 1780 PWs) bands (ev): -10.8832 -10.8832 -9.3099 -9.3099 -5.2365 -5.2365 -3.1178 -3.1178 -2.9212 -2.9212 -0.5917 -0.5917 -0.4720 -0.4720 0.1709 0.1709 2.6664 2.6664 4.2067 4.2067 4.9517 4.9517 5.4418 5.4418 6.4611 6.4611 6.9562 6.9562 7.3896 7.3896 7.9715 7.9715 10.3072 10.3072 10.3240 10.3240 12.2365 12.2365 13.5178 13.5178 k = 0.3098 0.3540 0.4196 ( 1780 PWs) bands (ev): -10.8975 -10.8975 -9.3291 -9.3291 -5.2354 -5.2354 -3.1020 -3.1020 -2.8798 -2.8798 -0.5376 -0.5376 -0.4136 -0.4136 0.1753 0.1753 2.6468 2.6468 4.2290 4.2290 5.0115 5.0115 5.4075 5.4075 6.4007 6.4007 6.9600 6.9600 7.3775 7.3775 7.8589 7.8589 10.2108 10.2108 10.2830 10.2830 12.1460 12.1460 13.4158 13.4158 k = 0.3020 0.3452 0.4196 ( 1780 PWs) bands (ev): -10.9121 -10.9121 -9.3492 -9.3492 -5.2312 -5.2312 -3.0842 -3.0842 -2.8370 -2.8370 -0.4815 -0.4815 -0.3601 -0.3601 0.1788 0.1788 2.6309 2.6309 4.2428 4.2428 5.0701 5.0701 5.3703 5.3703 6.3389 6.3389 6.9729 6.9729 7.3673 7.3673 7.7512 7.7512 10.1163 10.1163 10.2410 10.2410 12.0507 12.0507 13.3132 13.3132 k = 0.2943 0.3363 0.4196 ( 1776 PWs) bands (ev): -10.9269 -10.9269 -9.3701 -9.3701 -5.2238 -5.2238 -3.0643 -3.0643 -2.7927 -2.7927 -0.4232 -0.4232 -0.3122 -0.3122 0.1816 0.1816 2.6190 2.6190 4.2471 4.2471 5.1265 5.1265 5.3303 5.3303 6.2760 6.2760 6.9959 6.9959 7.3590 7.3590 7.6494 7.6494 10.0240 10.0240 10.1980 10.1980 11.9511 11.9511 13.2106 13.2106 k = 0.2866 0.3275 0.4196 ( 1776 PWs) bands (ev): -10.9421 -10.9421 -9.3917 -9.3917 -5.2131 -5.2131 -3.0421 -3.0421 -2.7472 -2.7472 -0.3628 -0.3628 -0.2705 -0.2705 0.1836 0.1836 2.6116 2.6116 4.2414 4.2414 5.1797 5.1797 5.2873 5.2873 6.2116 6.2116 7.0296 7.0296 7.3526 7.3526 7.5550 7.5550 9.9341 9.9341 10.1543 10.1543 11.8477 11.8477 13.1082 13.1082 k = 0.2788 0.3186 0.4196 ( 1776 PWs) bands (ev): -10.9575 -10.9575 -9.4140 -9.4140 -5.1992 -5.1992 -3.0178 -3.0178 -2.7004 -2.7004 -0.3004 -0.3004 -0.2353 -0.2353 0.1848 0.1848 2.6089 2.6089 4.2251 4.2251 5.2284 5.2284 5.2415 5.2415 6.1461 6.1461 7.0743 7.0743 7.3481 7.3481 7.4692 7.4692 9.8467 9.8467 10.1100 10.1100 11.7409 11.7409 13.0062 13.0062 k = 0.2711 0.3098 0.4196 ( 1778 PWs) bands (ev): -10.9730 -10.9730 -9.4368 -9.4368 -5.1821 -5.1821 -2.9913 -2.9913 -2.6523 -2.6523 -0.2360 -0.2360 -0.2073 -0.2073 0.1853 0.1853 2.6111 2.6111 4.1983 4.1983 5.1931 5.1931 5.2713 5.2713 6.0794 6.0794 7.1300 7.1300 7.3455 7.3455 7.3939 7.3939 9.7619 9.7619 10.0652 10.0652 11.6313 11.6313 12.9048 12.9048 k = 0.2633 0.3009 0.4196 ( 1782 PWs) bands (ev): -10.9888 -10.9888 -9.4602 -9.4602 -5.1618 -5.1618 -2.9625 -2.9625 -2.6032 -2.6032 -0.1867 -0.1867 -0.1695 -0.1695 0.1851 0.1851 2.6185 2.6185 4.1611 4.1611 5.1419 5.1419 5.3066 5.3066 6.0116 6.0116 7.1965 7.1965 7.3305 7.3305 7.3448 7.3448 9.6799 9.6799 10.0203 10.0203 11.5192 11.5192 12.8044 12.8044 k = 0.2556 0.2921 0.4196 ( 1786 PWs) bands (ev): -11.0046 -11.0046 -9.4841 -9.4841 -5.1383 -5.1383 -2.9314 -2.9314 -2.5529 -2.5529 -0.1736 -0.1736 -0.1011 -0.1011 0.1842 0.1842 2.6310 2.6310 4.1142 4.1142 5.0883 5.0883 5.3329 5.3329 5.9427 5.9427 7.2732 7.2732 7.2810 7.2810 7.3458 7.3458 9.6008 9.6008 9.9752 9.9752 11.4054 11.4054 12.7052 12.7052 k = 0.2478 0.2832 0.4196 ( 1786 PWs) bands (ev): -11.0205 -11.0205 -9.5083 -9.5083 -5.1116 -5.1116 -2.8981 -2.8981 -2.5015 -2.5015 -0.1683 -0.1683 -0.0307 -0.0307 0.1828 0.1828 2.6489 2.6489 4.0580 4.0580 5.0324 5.0324 5.3488 5.3488 5.8727 5.8727 7.2467 7.2467 7.3486 7.3486 7.3595 7.3595 9.5248 9.5248 9.9302 9.9302 11.2901 11.2901 12.6074 12.6074 k = 0.2401 0.2744 0.4196 ( 1786 PWs) bands (ev): -11.0364 -11.0364 -9.5327 -9.5327 -5.0819 -5.0819 -2.8626 -2.8626 -2.4492 -2.4492 -0.1706 -0.1706 0.0416 0.0416 0.1808 0.1808 2.6717 2.6717 3.9934 3.9934 4.9743 4.9743 5.3532 5.3532 5.8015 5.8015 7.2287 7.2287 7.3528 7.3528 7.4544 7.4544 9.4519 9.4519 9.8855 9.8855 11.1740 11.1740 12.5111 12.5111 k = 0.2323 0.2655 0.4196 ( 1786 PWs) bands (ev): -11.0523 -11.0523 -9.5574 -9.5574 -5.0492 -5.0492 -2.8248 -2.8248 -2.3961 -2.3961 -0.1805 -0.1805 0.1159 0.1159 0.1783 0.1783 2.6993 2.6993 3.9212 3.9212 4.9142 4.9142 5.3457 5.3457 5.7293 5.7293 7.2273 7.2273 7.3586 7.3586 7.5571 7.5571 9.3822 9.3822 9.8414 9.8414 11.0575 11.0575 12.4167 12.4167 k = 0.2246 0.2567 0.4196 ( 1782 PWs) bands (ev): -11.0682 -11.0682 -9.5821 -9.5821 -5.0136 -5.0136 -2.7848 -2.7848 -2.3421 -2.3421 -0.1976 -0.1976 0.1753 0.1753 0.1920 0.1920 2.7313 2.7313 3.8422 3.8422 4.8524 4.8524 5.3268 5.3268 5.6559 5.6559 7.2422 7.2422 7.3656 7.3656 7.6665 7.6665 9.3159 9.3159 9.7979 9.7979 10.9409 10.9409 12.3242 12.3242 k = 0.2169 0.2478 0.4196 ( 1782 PWs) bands (ev): -11.0839 -11.0839 -9.6069 -9.6069 -4.9751 -4.9751 -2.7427 -2.7427 -2.2874 -2.2874 -0.2217 -0.2217 0.1719 0.1719 0.2699 0.2699 2.7673 2.7673 3.7573 3.7573 4.7889 4.7889 5.2972 5.2972 5.5814 5.5814 7.2723 7.2723 7.3738 7.3738 7.7816 7.7816 9.2533 9.2533 9.7554 9.7554 10.8248 10.8248 12.2339 12.2339 k = 0.2091 0.2390 0.4196 ( 1782 PWs) bands (ev): -11.0996 -11.0996 -9.6316 -9.6316 -4.9339 -4.9339 -2.6984 -2.6984 -2.2322 -2.2322 -0.2524 -0.2524 0.1681 0.1681 0.3497 0.3497 2.8068 2.8068 3.6673 3.6673 4.7241 4.7241 5.2584 5.2584 5.5058 5.5058 7.3159 7.3159 7.3831 7.3831 7.9011 7.9011 9.1947 9.1947 9.7140 9.7140 10.7095 10.7095 12.1458 12.1458 k = 0.2014 0.2301 0.4196 ( 1774 PWs) bands (ev): -11.1150 -11.1150 -9.6562 -9.6562 -4.8900 -4.8900 -2.6521 -2.6521 -2.1764 -2.1764 -0.2893 -0.2893 0.1640 0.1640 0.4312 0.4312 2.8495 2.8495 3.5729 3.5729 4.6581 4.6581 5.2120 5.2120 5.4291 5.4291 7.3714 7.3714 7.3934 7.3934 8.0238 8.0238 9.1406 9.1406 9.6742 9.6742 10.5955 10.5955 12.0601 12.0601 k = 0.1936 0.2213 0.4196 ( 1774 PWs) bands (ev): -11.1303 -11.1303 -9.6805 -9.6805 -4.8437 -4.8437 -2.6039 -2.6039 -2.1202 -2.1202 -0.3318 -0.3318 0.1596 0.1596 0.5144 0.5144 2.8947 2.8947 3.4748 3.4748 4.5912 4.5912 5.1599 5.1599 5.3511 5.3511 7.4044 7.4044 7.4364 7.4364 8.1477 8.1477 9.0922 9.0922 9.6361 9.6361 10.4831 10.4831 11.9770 11.9770 k = 0.1859 0.2124 0.4196 ( 1776 PWs) bands (ev): -11.1453 -11.1453 -9.7045 -9.7045 -4.7949 -4.7949 -2.5537 -2.5537 -2.0638 -2.0638 -0.3795 -0.3795 0.1548 0.1548 0.5993 0.5993 2.9420 2.9420 3.3737 3.3737 4.5235 4.5235 5.1033 5.1033 5.2719 5.2719 7.4160 7.4160 7.5090 7.5090 8.2703 8.2703 9.0512 9.0512 9.6002 9.6002 10.3725 10.3725 11.8966 11.8966 k = 0.1781 0.2036 0.4196 ( 1772 PWs) bands (ev): -11.1600 -11.1600 -9.7282 -9.7282 -4.7438 -4.7438 -2.5018 -2.5018 -2.0072 -2.0072 -0.4320 -0.4320 0.1500 0.1500 0.6859 0.6859 2.9909 2.9909 3.2701 3.2701 4.4553 4.4553 5.0440 5.0440 5.1915 5.1915 7.4282 7.4282 7.5873 7.5873 8.3871 8.3871 9.0215 9.0215 9.5670 9.5670 10.2643 10.2643 11.8189 11.8189 k = 0.1704 0.1947 0.4196 ( 1772 PWs) bands (ev): -11.1744 -11.1744 -9.7513 -9.7513 -4.6905 -4.6905 -2.4481 -2.4481 -1.9507 -1.9507 -0.4887 -0.4887 0.1449 0.1449 0.7741 0.7741 3.0410 3.0410 3.1647 3.1647 4.3869 4.3869 4.9831 4.9831 5.1097 5.1097 7.4408 7.4408 7.6696 7.6696 8.4902 8.4902 9.0103 9.0103 9.5368 9.5368 10.1586 10.1586 11.7441 11.7441 k = 0.1626 0.1859 0.4196 ( 1776 PWs) bands (ev): -11.1884 -11.1884 -9.7739 -9.7739 -4.6353 -4.6353 -2.3929 -2.3929 -1.8943 -1.8943 -0.5491 -0.5491 0.1398 0.1398 0.8638 0.8638 3.0580 3.0580 3.0918 3.0918 4.3185 4.3185 4.9214 4.9214 5.0267 5.0267 7.4537 7.4537 7.7539 7.7539 8.5672 8.5672 9.0292 9.0292 9.5104 9.5104 10.0558 10.0558 11.6722 11.6722 k = 0.1549 0.1770 0.4196 ( 1784 PWs) bands (ev): -11.2021 -11.2021 -9.7959 -9.7959 -4.5782 -4.5782 -2.3364 -2.3364 -1.8382 -1.8382 -0.6131 -0.6131 0.1345 0.1345 0.9550 0.9550 2.9504 2.9504 3.1428 3.1428 4.2502 4.2502 4.8597 4.8597 4.9422 4.9422 7.4667 7.4667 7.8386 7.8386 8.6081 8.6081 9.0876 9.0876 9.4883 9.4883 9.9561 9.9561 11.6034 11.6034 k = 0.1472 0.1682 0.4196 ( 1784 PWs) bands (ev): -11.2152 -11.2152 -9.8173 -9.8173 -4.5194 -4.5194 -2.2785 -2.2785 -1.7827 -1.7827 -0.6797 -0.6797 0.1292 0.1292 1.0477 1.0477 2.8426 2.8426 3.1938 3.1938 4.1826 4.1826 4.7990 4.7990 4.8565 4.8565 7.4798 7.4798 7.9220 7.9220 8.6170 8.6170 9.1809 9.1809 9.4716 9.4716 9.8599 9.8599 11.5377 11.5377 k = 0.1394 0.1593 0.4196 ( 1784 PWs) bands (ev): -11.2280 -11.2280 -9.8379 -9.8379 -4.4591 -4.4591 -2.2195 -2.2195 -1.7278 -1.7278 -0.7488 -0.7488 0.1238 0.1238 1.1418 1.1418 2.7350 2.7350 3.2444 3.2444 4.1159 4.1159 4.7396 4.7396 4.7695 4.7695 7.4928 7.4928 8.0024 8.0024 8.6066 8.6066 9.2955 9.2955 9.4609 9.4609 9.7673 9.7673 11.4752 11.4752 k = 0.1317 0.1505 0.4196 ( 1784 PWs) bands (ev): -11.2402 -11.2402 -9.8577 -9.8577 -4.3975 -4.3975 -2.1597 -2.1597 -1.6738 -1.6738 -0.8199 -0.8199 0.1185 0.1185 1.2372 1.2372 2.6282 2.6282 3.2942 3.2942 4.0502 4.0502 4.6810 4.6810 4.6821 4.6821 7.5057 7.5057 8.0781 8.0781 8.5869 8.5869 9.4209 9.4209 9.4572 9.4572 9.6786 9.6786 11.4159 11.4159 k = 0.1239 0.1416 0.4196 ( 1784 PWs) bands (ev): -11.2519 -11.2519 -9.8767 -9.8767 -4.3349 -4.3349 -2.0993 -2.0993 -1.6209 -1.6209 -0.8926 -0.8926 0.1131 0.1131 1.3338 1.3338 2.5224 2.5224 3.3429 3.3429 3.9859 3.9859 4.5912 4.5912 4.6266 4.6266 7.5183 7.5183 8.1475 8.1475 8.5631 8.5631 9.4613 9.4613 9.5512 9.5512 9.5940 9.5940 11.3599 11.3599 k = 0.1162 0.1328 0.4196 ( 1780 PWs) bands (ev): -11.2631 -11.2631 -9.8947 -9.8947 -4.2714 -4.2714 -2.0385 -2.0385 -1.5693 -1.5693 -0.9663 -0.9663 0.1078 0.1078 1.4317 1.4317 2.4183 2.4183 3.3903 3.3903 3.9232 3.9232 4.5000 4.5000 4.5736 4.5736 7.5307 7.5307 8.2093 8.2093 8.5379 8.5379 9.4738 9.4738 9.5138 9.5138 9.6830 9.6830 11.3072 11.3072 k = 0.1084 0.1239 0.4196 ( 1776 PWs) bands (ev): -11.2737 -11.2737 -9.9118 -9.9118 -4.2074 -4.2074 -1.9777 -1.9777 -1.5192 -1.5192 -1.0407 -1.0407 0.1026 0.1026 1.5308 1.5308 2.3164 2.3164 3.4361 3.4361 3.8625 3.8625 4.4075 4.4075 4.5233 4.5233 7.5426 7.5426 8.2625 8.2625 8.5126 8.5126 9.4378 9.4378 9.4953 9.4953 9.8141 9.8141 11.2579 11.2579 k = 0.1007 0.1151 0.4196 ( 1776 PWs) bands (ev): -11.2836 -11.2836 -9.9279 -9.9279 -4.1432 -4.1432 -1.9172 -1.9172 -1.4710 -1.4710 -1.1152 -1.1152 0.0974 0.0974 1.6308 1.6308 2.2170 2.2170 3.4800 3.4800 3.8040 3.8040 4.3135 4.3135 4.4757 4.4757 7.5539 7.5539 8.3065 8.3065 8.4880 8.4880 9.3665 9.3665 9.5251 9.5251 9.9429 9.9429 11.2118 11.2118 k = 0.0929 0.1062 0.4196 ( 1780 PWs) bands (ev): -11.2929 -11.2929 -9.9430 -9.9430 -4.0792 -4.0792 -1.8574 -1.8574 -1.4248 -1.4248 -1.1893 -1.1893 0.0924 0.0924 1.7319 1.7319 2.1209 2.1209 3.5218 3.5218 3.7481 3.7481 4.2183 4.2183 4.4311 4.4311 7.5647 7.5647 8.3417 8.3417 8.4646 8.4646 9.3000 9.3000 9.5626 9.5626 10.0681 10.0681 11.1692 11.1692 k = 0.0852 0.0974 0.4196 ( 1776 PWs) bands (ev): -11.3015 -11.3015 -9.9570 -9.9570 -4.0159 -4.0159 -1.7987 -1.7987 -1.3809 -1.3809 -1.2624 -1.2624 0.0875 0.0875 1.8339 1.8339 2.0287 2.0287 3.5614 3.5614 3.6952 3.6952 4.1218 4.1218 4.3896 4.3896 7.5749 7.5749 8.3685 8.3685 8.4427 8.4427 9.2385 9.2385 9.6065 9.6065 10.1888 10.1888 11.1300 11.1300 k = 0.0774 0.0885 0.4196 ( 1776 PWs) bands (ev): -11.3095 -11.3095 -9.9699 -9.9699 -3.9536 -3.9536 -1.7417 -1.7417 -1.3397 -1.3397 -1.3339 -1.3339 0.0827 0.0827 1.9366 1.9366 1.9410 1.9410 3.5985 3.5985 3.6454 3.6454 4.0241 4.0241 4.3512 4.3512 7.5844 7.5844 8.3880 8.3880 8.4225 8.4225 9.1820 9.1820 9.6549 9.6549 10.3037 10.3037 11.0942 11.0942 k = 0.0697 0.0797 0.4196 ( 1772 PWs) bands (ev): -11.3168 -11.3168 -9.9817 -9.9817 -3.8931 -3.8931 -1.6869 -1.6869 -1.4033 -1.4033 -1.3012 -1.3012 0.0781 0.0781 1.8581 1.8581 2.0402 2.0402 3.5991 3.5991 3.6330 3.6330 3.9252 3.9252 4.3161 4.3161 7.5931 7.5931 8.4015 8.4015 8.4041 8.4041 9.1306 9.1306 9.7059 9.7059 10.4119 10.4119 11.0618 11.0618 k = 0.0620 0.0708 0.4196 ( 1772 PWs) bands (ev): -11.3233 -11.3233 -9.9923 -9.9923 -3.8350 -3.8350 -1.6350 -1.6350 -1.4695 -1.4695 -1.2660 -1.2660 0.0738 0.0738 1.7812 1.7812 2.1444 2.1444 3.5568 3.5568 3.6645 3.6645 3.8252 3.8252 4.2842 4.2842 7.6011 7.6011 8.3874 8.3874 8.4101 8.4101 9.0843 9.0843 9.7576 9.7576 10.5123 10.5123 11.0328 11.0328 k = 0.0542 0.0620 0.4196 ( 1772 PWs) bands (ev): -11.3291 -11.3291 -10.0017 -10.0017 -3.7801 -3.7801 -1.5867 -1.5867 -1.5317 -1.5317 -1.2341 -1.2341 0.0697 0.0697 1.7108 1.7108 2.2490 2.2490 3.5185 3.5185 3.6931 3.6931 3.7243 3.7243 4.2557 4.2557 7.6081 7.6081 8.3726 8.3726 8.4152 8.4152 9.0434 9.0434 9.8079 9.8079 10.6039 10.6039 11.0072 11.0072 k = 0.0465 0.0531 0.4196 ( 1768 PWs) bands (ev): -11.3342 -11.3342 -10.0099 -10.0099 -3.7293 -3.7293 -1.5890 -1.5890 -1.5425 -1.5425 -1.2059 -1.2059 0.0659 0.0659 1.6477 1.6477 2.3541 2.3541 3.4848 3.4848 3.6225 3.6225 3.7184 3.7184 4.2307 4.2307 7.6144 7.6144 8.3598 8.3598 8.4176 8.4176 9.0078 9.0078 9.8551 9.8551 10.6858 10.6858 10.9851 10.9851 k = 0.0387 0.0443 0.4196 ( 1776 PWs) bands (ev): -11.3385 -11.3385 -10.0169 -10.0169 -3.6836 -3.6836 -1.6404 -1.6404 -1.5035 -1.5035 -1.1816 -1.1816 0.0625 0.0625 1.5926 1.5926 2.4595 2.4595 3.4556 3.4556 3.5198 3.5198 3.7403 3.7403 4.2092 4.2092 7.6196 7.6196 8.3489 8.3489 8.4183 8.4183 8.9776 8.9776 9.8978 9.8978 10.7569 10.7569 10.9663 10.9663 k = 0.0310 0.0354 0.4196 ( 1776 PWs) bands (ev): -11.3421 -11.3421 -10.0226 -10.0226 -3.6440 -3.6440 -1.6846 -1.6846 -1.4702 -1.4702 -1.1613 -1.1613 0.0595 0.0595 1.5463 1.5463 2.5649 2.5649 3.4167 3.4167 3.4315 3.4315 3.7587 3.7587 4.1913 4.1913 7.6240 7.6240 8.3400 8.3400 8.4180 8.4180 8.9530 8.9530 9.9345 9.9345 10.8165 10.8165 10.9512 10.9512 k = 0.0232 0.0266 0.4196 ( 1778 PWs) bands (ev): -11.3448 -11.3448 -10.0271 -10.0271 -3.6118 -3.6118 -1.7206 -1.7206 -1.4434 -1.4434 -1.1454 -1.1454 0.0571 0.0571 1.5094 1.5094 2.6701 2.6701 3.3131 3.3131 3.4123 3.4123 3.7733 3.7733 4.1771 4.1771 7.6274 7.6274 8.3331 8.3331 8.4173 8.4173 8.9337 8.9337 9.9642 9.9642 10.8637 10.8637 10.9393 10.9393 k = 0.0155 0.0177 0.4196 ( 1778 PWs) bands (ev): -11.3468 -11.3468 -10.0303 -10.0303 -3.5879 -3.5879 -1.7472 -1.7472 -1.4238 -1.4238 -1.1339 -1.1339 0.0553 0.0553 1.4826 1.4826 2.7745 2.7745 3.2100 3.2100 3.3986 3.3986 3.7840 3.7840 4.1669 4.1669 7.6299 7.6299 8.3281 8.3281 8.4165 8.4165 8.9199 8.9199 9.9860 9.9860 10.8978 10.8978 10.9309 10.9309 k = 0.0077 0.0089 0.4196 ( 1784 PWs) bands (ev): -11.3480 -11.3480 -10.0322 -10.0322 -3.5732 -3.5732 -1.7636 -1.7636 -1.4118 -1.4118 -1.1270 -1.1270 0.0542 0.0542 1.4663 1.4663 2.8753 2.8753 3.1099 3.1099 3.3903 3.3903 3.7904 3.7904 4.1607 4.1607 7.6312 7.6312 8.3251 8.3251 8.4159 8.4159 8.9116 8.9116 9.9993 9.9993 10.9178 10.9178 10.9265 10.9265 k = 0.0000 0.0000 0.4196 ( 1780 PWs) bands (ev): -11.3484 -11.3484 -10.0328 -10.0328 -3.5682 -3.5682 -1.7691 -1.7691 -1.4078 -1.4078 -1.1247 -1.1247 0.0538 0.0538 1.4609 1.4609 2.9425 2.9425 3.0430 3.0430 3.3876 3.3876 3.7926 3.7926 4.1586 4.1586 7.6317 7.6317 8.3241 8.3241 8.4157 8.4157 8.9089 8.9089 10.0038 10.0038 10.9220 10.9220 10.9276 10.9276 k = 0.0000 0.0000 0.4196 ( 1780 PWs) bands (ev): -11.3484 -11.3484 -10.0328 -10.0328 -3.5682 -3.5682 -1.7691 -1.7691 -1.4078 -1.4078 -1.1247 -1.1247 0.0538 0.0538 1.4609 1.4609 2.9425 2.9425 3.0430 3.0430 3.3876 3.3876 3.7926 3.7926 4.1586 4.1586 7.6317 7.6317 8.3241 8.3241 8.4157 8.4157 8.9089 8.9089 10.0038 10.0038 10.9220 10.9220 10.9276 10.9276 k = 0.0000 0.0000 0.4079 ( 1776 PWs) bands (ev): -11.3520 -11.3520 -10.0273 -10.0273 -3.5696 -3.5696 -1.7766 -1.7766 -1.4047 -1.4047 -1.1251 -1.1251 0.0536 0.0536 1.4647 1.4647 2.9444 2.9444 3.0263 3.0263 3.4060 3.4060 3.7899 3.7899 4.1636 4.1636 7.6272 7.6272 8.2725 8.2725 8.4673 8.4673 8.9104 8.9104 10.0016 10.0016 10.9239 10.9239 10.9299 10.9299 k = 0.0000 0.0000 0.3963 ( 1771 PWs) bands (ev): -11.3627 -11.3627 -10.0108 -10.0108 -3.5740 -3.5740 -1.7990 -1.7990 -1.3953 -1.3953 -1.1264 -1.1264 0.0527 0.0527 1.4761 1.4761 2.9503 2.9503 2.9840 2.9840 3.4534 3.4534 3.7821 3.7821 4.1784 4.1784 7.6136 7.6136 8.1920 8.1920 8.5478 8.5478 8.9148 8.9148 9.9950 9.9950 10.9295 10.9295 10.9369 10.9369 k = 0.0000 0.0000 0.3846 ( 1775 PWs) bands (ev): -11.3799 -11.3799 -9.9840 -9.9840 -3.5812 -3.5812 -1.8357 -1.8357 -1.3799 -1.3799 -1.1286 -1.1286 0.0507 0.0507 1.4952 1.4952 2.9283 2.9283 2.9600 2.9600 3.5173 3.5173 3.7690 3.7690 4.2027 4.2027 7.5911 7.5911 8.1080 8.1080 8.6316 8.6316 8.9218 8.9218 9.9840 9.9840 10.9383 10.9383 10.9487 10.9487 k = 0.0000 0.0000 0.3730 ( 1779 PWs) bands (ev): -11.4029 -11.4029 -9.9476 -9.9476 -3.5910 -3.5910 -1.8859 -1.8859 -1.3585 -1.3585 -1.1316 -1.1316 0.0471 0.0471 1.5219 1.5219 2.8668 2.8668 2.9736 2.9736 3.5904 3.5904 3.7507 3.7507 4.2361 4.2361 7.5602 7.5602 8.0231 8.0231 8.7163 8.7163 8.9307 8.9307 9.9691 9.9691 10.9503 10.9503 10.9653 10.9653 k = 0.0000 0.0000 0.3613 ( 1775 PWs) bands (ev): -11.4306 -11.4306 -9.9026 -9.9026 -3.6033 -3.6033 -1.9483 -1.9483 -1.3314 -1.3314 -1.1354 -1.1354 0.0414 0.0414 1.5562 1.5562 2.8031 2.8031 2.9910 2.9910 3.6690 3.6690 3.7273 3.7273 4.2780 4.2780 7.5220 7.5220 7.9380 7.9380 8.8011 8.8011 8.9409 8.9409 9.9506 9.9506 10.9658 10.9658 10.9861 10.9861 k = 0.0000 0.0000 0.3497 ( 1777 PWs) bands (ev): -11.4622 -11.4622 -9.8499 -9.8499 -3.6179 -3.6179 -2.0218 -2.0218 -1.2988 -1.2988 -1.1400 -1.1400 0.0330 0.0330 1.5981 1.5981 2.7389 2.7389 3.0121 3.0121 3.6989 3.6989 3.7513 3.7513 4.3277 4.3277 7.4771 7.4771 7.8528 7.8528 8.8860 8.8860 8.9518 8.9518 9.9290 9.9290 10.9849 10.9849 11.0109 11.0109 k = 0.0000 0.0000 0.3380 ( 1773 PWs) bands (ev): -11.4968 -11.4968 -9.7905 -9.7905 -3.6344 -3.6344 -2.1051 -2.1051 -1.2609 -1.2609 -1.1453 -1.1453 0.0217 0.0217 1.6471 1.6471 2.6753 2.6753 3.0370 3.0370 3.6657 3.6657 3.8361 3.8361 4.3843 4.3843 7.4261 7.4261 7.7677 7.7677 8.9623 8.9623 8.9707 8.9707 9.9045 9.9045 11.0077 11.0077 11.0393 11.0393 k = 0.0000 0.0000 0.3264 ( 1777 PWs) bands (ev): -11.5336 -11.5336 -9.7252 -9.7252 -3.6527 -3.6527 -2.1971 -2.1971 -1.2182 -1.2182 -1.1512 -1.1512 0.0073 0.0073 1.7031 1.7031 2.6127 2.6127 3.0655 3.0655 3.6276 3.6276 3.9230 3.9230 4.4469 4.4469 7.3697 7.3697 7.6827 7.6827 8.9724 8.9724 9.0549 9.0549 9.8777 9.8777 11.0340 11.0340 11.0709 11.0709 k = 0.0000 0.0000 0.3147 ( 1777 PWs) bands (ev): -11.5719 -11.5719 -9.6546 -9.6546 -3.6724 -3.6724 -2.2966 -2.2966 -1.1708 -1.1708 -1.1577 -1.1577 -0.0101 -0.0101 1.7654 1.7654 2.5514 2.5514 3.0976 3.0976 3.5850 3.5850 4.0114 4.0114 4.5146 4.5146 7.3086 7.3086 7.5981 7.5981 8.9811 8.9811 9.1388 9.1388 9.8490 9.8490 11.0641 11.0641 11.1054 11.1054 k = 0.0000 0.0000 0.3030 ( 1777 PWs) bands (ev): -11.6110 -11.6110 -9.5796 -9.5796 -3.6933 -3.6933 -2.4026 -2.4026 -1.1649 -1.1649 -1.1190 -1.1190 -0.0302 -0.0302 1.8337 1.8337 2.4918 2.4918 3.1332 3.1332 3.5380 3.5380 4.1011 4.1011 4.5864 4.5864 7.2433 7.2433 7.5138 7.5138 8.9881 8.9881 9.2222 9.2222 9.8188 9.8188 11.0977 11.0977 11.1425 11.1425 k = 0.0000 0.0000 0.2914 ( 1783 PWs) bands (ev): -11.6506 -11.6506 -9.5005 -9.5005 -3.7151 -3.7151 -2.5143 -2.5143 -1.1724 -1.1724 -1.0632 -1.0632 -0.0528 -0.0528 1.9073 1.9073 2.4339 2.4339 3.1721 3.1721 3.4867 3.4867 4.1918 4.1918 4.6612 4.6612 7.1743 7.1743 7.4302 7.4302 8.9932 8.9932 9.3048 9.3048 9.7873 9.7873 11.1347 11.1347 11.1819 11.1819 k = 0.0000 0.0000 0.2797 ( 1785 PWs) bands (ev): -11.6901 -11.6901 -9.4179 -9.4179 -3.7376 -3.7376 -2.6306 -2.6306 -1.1804 -1.1804 -1.0036 -1.0036 -0.0773 -0.0773 1.9858 1.9858 2.3779 2.3779 3.2143 3.2143 3.4313 3.4313 4.2833 4.2833 4.7383 4.7383 7.1022 7.1022 7.3473 7.3473 8.9961 8.9961 9.3867 9.3867 9.7549 9.7549 11.1749 11.1749 11.2233 11.2233 k = 0.0000 0.0000 0.2681 ( 1783 PWs) bands (ev): -11.7293 -11.7293 -9.3321 -9.3321 -3.7606 -3.7606 -2.7510 -2.7510 -1.1888 -1.1888 -0.9405 -0.9405 -0.1036 -0.1036 2.0686 2.0686 2.3239 2.3239 3.2598 3.2598 3.3722 3.3722 4.3753 4.3753 4.8163 4.8163 7.0271 7.0271 7.2654 7.2654 8.9969 8.9969 9.4677 9.4677 9.7220 9.7220 11.2184 11.2184 11.2664 11.2664 k = 0.0000 0.0000 0.2564 ( 1783 PWs) bands (ev): -11.7679 -11.7679 -9.2436 -9.2436 -3.7837 -3.7837 -2.8746 -2.8746 -1.1974 -1.1974 -0.8742 -0.8742 -0.1311 -0.1311 2.1551 2.1551 2.2719 2.2719 3.3083 3.3083 3.3094 3.3094 4.4675 4.4675 4.8938 4.8938 6.9495 6.9495 7.1849 7.1849 8.9956 8.9956 9.5475 9.5475 9.6887 9.6887 11.2648 11.2648 11.3110 11.3110 k = 0.0000 0.0000 0.2448 ( 1779 PWs) bands (ev): -11.8056 -11.8056 -9.1525 -9.1525 -3.8069 -3.8069 -3.0010 -3.0010 -1.2062 -1.2062 -0.8049 -0.8049 -0.1594 -0.1594 2.2220 2.2220 2.2450 2.2450 3.2429 3.2429 3.3601 3.3601 4.5598 4.5598 4.9699 4.9699 6.8696 6.8696 7.1061 7.1061 8.9921 8.9921 9.6260 9.6260 9.6556 9.6556 11.3136 11.3136 11.3569 11.3569 k = 0.0000 0.0000 0.2331 ( 1781 PWs) bands (ev): -11.8422 -11.8422 -9.0594 -9.0594 -3.8299 -3.8299 -3.1294 -3.1294 -1.2151 -1.2151 -0.7329 -0.7329 -0.1882 -0.1882 2.1742 2.1742 2.3377 2.3377 3.1733 3.1733 3.4146 3.4146 4.6519 4.6519 5.0433 5.0433 6.7878 6.7878 7.0296 7.0296 8.9868 8.9868 9.6226 9.6226 9.7030 9.7030 11.3647 11.3647 11.4036 11.4036 k = 0.0000 0.0000 0.2215 ( 1777 PWs) bands (ev): -11.8777 -11.8777 -8.9643 -8.9643 -3.8525 -3.8525 -3.2593 -3.2593 -1.2240 -1.2240 -0.6584 -0.6584 -0.2171 -0.2171 2.1286 2.1286 2.4332 2.4332 3.1007 3.1007 3.4720 3.4720 4.7437 4.7437 5.1127 5.1127 6.7041 6.7041 6.9561 6.9561 8.9799 8.9799 9.5900 9.5900 9.7784 9.7784 11.4175 11.4175 11.4510 11.4510 k = 0.0000 0.0000 0.2098 ( 1781 PWs) bands (ev): -11.9119 -11.9119 -8.8676 -8.8676 -3.8747 -3.8747 -3.3903 -3.3903 -1.2329 -1.2329 -0.5817 -0.5817 -0.2458 -0.2458 2.0852 2.0852 2.5308 2.5308 3.0253 3.0253 3.5320 3.5320 4.8345 4.8345 5.1765 5.1765 6.6188 6.6188 6.8864 6.8864 8.9714 8.9714 9.5581 9.5581 9.8517 9.8517 11.4716 11.4716 11.4988 11.4988 k = 0.0000 0.0000 0.1981 ( 1781 PWs) bands (ev): -11.9446 -11.9446 -8.7697 -8.7697 -3.8963 -3.8963 -3.5218 -3.5218 -1.2418 -1.2418 -0.5029 -0.5029 -0.2740 -0.2740 2.0440 2.0440 2.6304 2.6304 2.9475 2.9475 3.5946 3.5946 4.9242 4.9242 5.2330 5.2330 6.5322 6.5322 6.8215 6.8215 8.9617 8.9617 9.5270 9.5270 9.9229 9.9229 11.5266 11.5266 11.5468 11.5468 k = 0.0000 0.0000 0.1865 ( 1781 PWs) bands (ev): -11.9758 -11.9758 -8.6707 -8.6707 -3.9172 -3.9172 -3.6534 -3.6534 -1.2505 -1.2505 -0.4224 -0.4224 -0.3016 -0.3016 2.0050 2.0050 2.7316 2.7316 2.8674 2.8674 3.6597 3.6597 5.0125 5.0125 5.2806 5.2806 6.4443 6.4443 6.7628 6.7628 8.9511 8.9511 9.4969 9.4969 9.9917 9.9917 11.5818 11.5818 11.5948 11.5948 k = 0.0000 0.0000 0.1748 ( 1781 PWs) bands (ev): -12.0054 -12.0054 -8.5710 -8.5710 -3.9373 -3.9373 -3.7844 -3.7844 -1.2590 -1.2590 -0.3403 -0.3403 -0.3282 -0.3282 1.9683 1.9683 2.7854 2.7854 2.8343 2.8343 3.7271 3.7271 5.0989 5.0989 5.3172 5.3172 6.3552 6.3552 6.7116 6.7116 8.9398 8.9398 9.4679 9.4679 10.0578 10.0578 11.6362 11.6362 11.6432 11.6432 k = 0.0000 0.0000 0.1632 ( 1777 PWs) bands (ev): -12.0333 -12.0333 -8.4710 -8.4710 -3.9564 -3.9564 -3.9144 -3.9144 -1.2672 -1.2672 -0.3537 -0.3537 -0.2570 -0.2570 1.9339 1.9339 2.7018 2.7018 2.9382 2.9382 3.7969 3.7969 5.1832 5.1832 5.3413 5.3413 6.2653 6.2653 6.6692 6.6692 8.9280 8.9280 9.4403 9.4403 10.1211 10.1211 11.6860 11.6860 11.6951 11.6951 k = 0.0000 0.0000 0.1515 ( 1777 PWs) bands (ev): -12.0595 -12.0595 -8.3711 -8.3711 -4.0429 -4.0429 -3.9745 -3.9745 -1.2751 -1.2751 -0.3779 -0.3779 -0.1726 -0.1726 1.9019 1.9019 2.6168 2.6168 3.0431 3.0431 3.8688 3.8688 5.2649 5.2649 5.3511 5.3511 6.1745 6.1745 6.6365 6.6365 8.9160 8.9160 9.4140 9.4140 10.1811 10.1811 11.7318 11.7318 11.7487 11.7487 k = 0.0000 0.0000 0.1399 ( 1773 PWs) bands (ev): -12.0838 -12.0838 -8.2718 -8.2718 -4.1692 -4.1692 -3.9915 -3.9915 -1.2827 -1.2827 -0.4008 -0.4008 -0.0874 -0.0874 1.8722 1.8722 2.5309 2.5309 3.1487 3.1487 3.9426 3.9426 5.3434 5.3434 5.3460 5.3460 6.0831 6.0831 6.6141 6.6141 8.9040 8.9040 9.3894 9.3894 10.2378 10.2378 11.7757 11.7757 11.8014 11.8014 k = 0.0000 0.0000 0.1282 ( 1773 PWs) bands (ev): -12.1064 -12.1064 -8.1736 -8.1736 -4.2926 -4.2926 -4.0074 -4.0074 -1.2898 -1.2898 -0.4222 -0.4222 -0.0019 -0.0019 1.8447 1.8447 2.4444 2.4444 3.2549 3.2549 4.0183 4.0183 5.3259 5.3259 5.4185 5.4185 5.9911 5.9911 6.6016 6.6016 8.8922 8.8922 9.3663 9.3663 10.2907 10.2907 11.8176 11.8176 11.8522 11.8522 k = 0.0000 0.0000 0.1166 ( 1773 PWs) bands (ev): -12.1271 -12.1271 -8.0772 -8.0772 -4.4124 -4.4124 -4.0221 -4.0221 -1.2964 -1.2964 -0.4420 -0.4420 0.0835 0.0835 1.8197 1.8197 2.3579 2.3579 3.3613 3.3613 4.0959 4.0959 5.2918 5.2918 5.4895 5.4895 5.8987 5.8987 6.5980 6.5980 8.8808 8.8808 9.3450 9.3450 10.3397 10.3397 11.8573 11.8573 11.9008 11.9008 k = 0.0000 0.0000 0.1049 ( 1779 PWs) bands (ev): -12.1459 -12.1459 -7.9833 -7.9833 -4.5277 -4.5277 -4.0355 -4.0355 -1.3026 -1.3026 -0.4601 -0.4601 0.1684 0.1684 1.7970 1.7970 2.2716 2.2716 3.4680 3.4680 4.1750 4.1750 5.2450 5.2450 5.5560 5.5560 5.8059 5.8059 6.6015 6.6015 8.8699 8.8699 9.3254 9.3254 10.3846 10.3846 11.8944 11.8944 11.9465 11.9465 k = 0.0000 0.0000 0.0932 ( 1783 PWs) bands (ev): -12.1628 -12.1628 -7.8930 -7.8930 -4.6374 -4.6374 -4.0476 -4.0476 -1.3081 -1.3081 -0.4765 -0.4765 0.2520 0.2520 1.7766 1.7766 2.1868 2.1868 3.5742 3.5742 4.2557 4.2557 5.1876 5.1876 5.6173 5.6173 5.7132 5.7132 6.6103 6.6103 8.8598 8.8598 9.3077 9.3077 10.4252 10.4252 11.9288 11.9288 11.9889 11.9889 k = 0.0000 0.0000 0.0816 ( 1783 PWs) bands (ev): -12.1777 -12.1777 -7.8073 -7.8073 -4.7403 -4.7403 -4.0584 -4.0584 -1.3131 -1.3131 -0.4911 -0.4911 0.3336 0.3336 1.7586 1.7586 2.1040 2.1040 3.6798 3.6798 4.3376 4.3376 5.1216 5.1216 5.6205 5.6205 5.6731 5.6731 6.6223 6.6223 8.8506 8.8506 9.2920 9.2920 10.4614 10.4614 11.9600 11.9600 12.0276 12.0276 k = 0.0000 0.0000 0.0699 ( 1791 PWs) bands (ev): -12.1908 -12.1908 -7.7277 -7.7277 -4.8351 -4.8351 -4.0678 -4.0678 -1.3175 -1.3175 -0.5038 -0.5038 0.4120 0.4120 1.7430 1.7430 2.0243 2.0243 3.7842 3.7842 4.4207 4.4207 5.0488 5.0488 5.5281 5.5281 5.7226 5.7226 6.6359 6.6359 8.8424 8.8424 9.2782 9.2782 10.4929 10.4929 11.9877 11.9877 12.0621 12.0621 k = 0.0000 0.0000 0.0583 ( 1795 PWs) bands (ev): -12.2018 -12.2018 -7.6556 -7.6556 -4.9200 -4.9200 -4.0758 -4.0758 -1.3213 -1.3213 -0.5147 -0.5147 0.4858 0.4858 1.7298 1.7298 1.9495 1.9495 3.8868 3.8868 4.5046 4.5046 4.9712 4.9712 5.4364 5.4364 5.7655 5.7655 6.6496 6.6496 8.8353 8.8353 9.2665 9.2665 10.5198 10.5198 12.0117 12.0117 12.0920 12.0920 k = 0.0000 0.0000 0.0466 ( 1795 PWs) bands (ev): -12.2108 -12.2108 -7.5929 -7.5929 -4.9933 -4.9933 -4.0824 -4.0824 -1.3244 -1.3244 -0.5236 -0.5236 0.5529 0.5529 1.7190 1.7190 1.8816 1.8816 3.9862 3.9862 4.5889 4.5889 4.8911 4.8911 5.3457 5.3457 5.8013 5.8013 6.6622 6.6622 8.8293 8.8293 9.2569 9.2569 10.5419 10.5419 12.0317 12.0317 12.1171 12.1171 k = 0.0000 0.0000 0.0350 ( 1797 PWs) bands (ev): -12.2179 -12.2179 -7.5414 -7.5414 -5.0531 -5.0531 -4.0875 -4.0875 -1.3268 -1.3268 -0.5305 -0.5305 0.6106 0.6106 1.7106 1.7106 1.8231 1.8231 4.0804 4.0804 4.6725 4.6725 4.8113 4.8113 5.2570 5.2570 5.8297 5.8297 6.6728 6.6728 8.8247 8.8247 9.2494 9.2494 10.5592 10.5592 12.0475 12.0475 12.1368 12.1368 k = 0.0000 0.0000 0.0233 ( 1799 PWs) bands (ev): -12.2229 -12.2229 -7.5029 -7.5029 -5.0975 -5.0975 -4.0912 -4.0912 -1.3286 -1.3286 -0.5355 -0.5355 0.6558 0.6558 1.7046 1.7046 1.7774 1.7774 4.1646 4.1646 4.7370 4.7370 4.7534 4.7534 5.1725 5.1725 5.8502 5.8502 6.6809 6.6809 8.8212 8.8212 9.2440 9.2440 10.5715 10.5715 12.0589 12.0589 12.1511 12.1511 k = 0.0000 0.0000 0.0117 ( 1807 PWs) bands (ev): -12.2259 -12.2259 -7.4791 -7.4791 -5.1249 -5.1249 -4.0934 -4.0934 -1.3297 -1.3297 -0.5385 -0.5385 0.6848 0.6848 1.7010 1.7010 1.7480 1.7480 4.2288 4.2288 4.6786 4.6786 4.8242 4.8242 5.0995 5.0995 5.8625 5.8625 6.6859 6.6859 8.8192 8.8192 9.2408 9.2408 10.5788 10.5788 12.0658 12.0658 12.1598 12.1598 k = 0.0000 0.0000 0.0000 ( 1799 PWs) bands (ev): -12.2269 -12.2269 -7.4710 -7.4710 -5.1341 -5.1341 -4.0941 -4.0941 -1.3300 -1.3300 -0.5395 -0.5395 0.6951 0.6951 1.6998 1.6998 1.7379 1.7379 4.2546 4.2546 4.6550 4.6550 4.8586 4.8586 5.0645 5.0645 5.8668 5.8668 6.6877 6.6877 8.8185 8.8185 9.2397 9.2397 10.5813 10.5813 12.0682 12.0682 12.1628 12.1628 k = 0.0000 0.0000 0.0000 ( 1799 PWs) bands (ev): -12.2269 -12.2269 -7.4710 -7.4710 -5.1341 -5.1341 -4.0941 -4.0941 -1.3300 -1.3300 -0.5395 -0.5395 0.6951 0.6951 1.6998 1.6998 1.7379 1.7379 4.2546 4.2546 4.6550 4.6550 4.8586 4.8586 5.0645 5.0645 5.8668 5.8668 6.6877 6.6877 8.8185 8.8185 9.2397 9.2397 10.5813 10.5813 12.0682 12.0682 12.1628 12.1628 k =-0.0088 0.0077 0.0000 ( 1797 PWs) bands (ev): -12.2264 -12.2264 -7.4706 -7.4706 -5.1338 -5.1338 -4.0958 -4.0958 -1.3391 -1.3391 -0.5302 -0.5302 0.6933 0.6933 1.6892 1.6892 1.7512 1.7512 4.2372 4.2372 4.6515 4.6515 4.8772 4.8772 5.0647 5.0647 5.8698 5.8698 6.6795 6.6795 8.8298 8.8298 9.2399 9.2399 10.5663 10.5663 12.0689 12.0689 12.1775 12.1775 k =-0.0175 0.0154 0.0000 ( 1799 PWs) bands (ev): -12.2249 -12.2249 -7.4694 -7.4694 -5.1328 -5.1328 -4.1007 -4.1007 -1.3654 -1.3654 -0.5037 -0.5037 0.6883 0.6883 1.6713 1.6713 1.7770 1.7770 4.1903 4.1903 4.6408 4.6408 4.9275 4.9275 5.0655 5.0655 5.8786 5.8786 6.6552 6.6552 8.8628 8.8628 9.2406 9.2406 10.5229 10.5229 12.0709 12.0709 12.1913 12.2199 k =-0.0263 0.0230 0.0000 ( 1795 PWs) bands (ev): -12.2223 -12.2223 -7.4674 -7.4674 -5.1310 -5.1310 -4.1089 -4.1089 -1.4056 -1.4056 -0.4630 -0.4630 0.6801 0.6801 1.6534 1.6534 1.8082 1.8082 4.1243 4.1243 4.6233 4.6233 4.9996 4.9996 5.0669 5.0669 5.8935 5.8935 6.6169 6.6169 8.9161 8.9161 9.2417 9.2417 10.4553 10.4553 12.0742 12.0742 12.2013 12.2013 k =-0.0351 0.0307 0.0000 ( 1791 PWs) bands (ev): -12.2186 -12.2186 -7.4645 -7.4645 -5.1286 -5.1286 -4.1203 -4.1203 -1.4564 -1.4564 -0.4115 -0.4115 0.6687 0.6687 1.6364 1.6364 1.8437 1.8437 4.0474 4.0474 4.5988 4.5988 5.0686 5.0686 5.0851 5.0851 5.9144 5.9144 6.5670 6.5670 8.9871 8.9871 9.2432 9.2432 10.3685 10.3685 12.0789 12.0789 12.2152 12.2152 k =-0.0439 0.0384 0.0000 ( 1791 PWs) bands (ev): -12.2140 -12.2140 -7.4609 -7.4609 -5.1256 -5.1256 -4.1348 -4.1348 -1.5147 -1.5147 -0.3526 -0.3526 0.6542 0.6542 1.6202 1.6202 1.8835 1.8835 3.9645 3.9645 4.5671 4.5671 5.0711 5.0711 5.1787 5.1787 5.9410 5.9410 6.5083 6.5083 9.0733 9.0733 9.2453 9.2453 10.2673 10.2673 12.0848 12.0848 12.2330 12.2330 k =-0.0526 0.0461 0.0000 ( 1791 PWs) bands (ev): -12.2084 -12.2084 -7.4564 -7.4564 -5.1219 -5.1219 -4.1522 -4.1522 -1.5782 -1.5782 -0.2886 -0.2886 0.6367 0.6367 1.6047 1.6047 1.9276 1.9276 3.8785 3.8785 4.5283 4.5283 5.0740 5.0740 5.2778 5.2778 5.9732 5.9732 6.4436 6.4436 9.1720 9.1720 9.2478 9.2478 10.1557 10.1557 12.0920 12.0920 12.2546 12.2546 k =-0.0614 0.0537 0.0000 ( 1787 PWs) bands (ev): -12.2017 -12.2017 -7.4512 -7.4512 -5.1175 -5.1175 -4.1725 -4.1725 -1.6450 -1.6450 -0.2213 -0.2213 0.6165 0.6165 1.5895 1.5895 1.9762 1.9762 3.7910 3.7910 4.4825 4.4825 5.0772 5.0772 5.3805 5.3805 6.0110 6.0110 6.3754 6.3754 9.2508 9.2508 9.2812 9.2812 10.0367 10.0367 12.1005 12.1005 12.2798 12.2798 k =-0.0702 0.0614 0.0000 ( 1781 PWs) bands (ev): -12.1940 -12.1940 -7.4452 -7.4452 -5.1125 -5.1125 -4.1955 -4.1955 -1.7141 -1.7141 -0.1520 -0.1520 0.5936 0.5936 1.5746 1.5746 2.0293 2.0293 3.7032 3.7032 4.4298 4.4298 5.0807 5.0807 5.4856 5.4856 6.0540 6.0540 6.3060 6.3060 9.2545 9.2545 9.3984 9.3984 9.9126 9.9126 12.1104 12.1104 12.3086 12.3086 k =-0.0789 0.0691 0.0000 ( 1781 PWs) bands (ev): -12.1854 -12.1854 -7.4384 -7.4384 -5.1069 -5.1069 -4.2210 -4.2210 -1.7845 -1.7845 -0.0818 -0.0818 0.5682 0.5682 1.5596 1.5596 2.0870 2.0870 3.6155 3.6155 4.3704 4.3704 5.0841 5.0841 5.5924 5.5924 6.1021 6.1021 6.2372 6.2372 9.2588 9.2588 9.5222 9.5222 9.7853 9.7853 12.1213 12.1213 12.3407 12.3407 k =-0.0877 0.0768 0.0000 ( 1781 PWs) bands (ev): -12.1759 -12.1759 -7.4309 -7.4309 -5.1006 -5.1006 -4.2489 -4.2489 -1.8556 -1.8556 -0.0115 -0.0115 0.5405 0.5405 1.5446 1.5446 2.1491 2.1491 3.5285 3.5285 4.3047 4.3047 5.0871 5.0871 5.7003 5.7003 6.1550 6.1550 6.1709 6.1709 9.2636 9.2636 9.6511 9.6511 9.6561 9.6561 12.1335 12.1335 12.3760 12.3760 k =-0.0965 0.0844 0.0000 ( 1785 PWs) bands (ev): -12.1654 -12.1654 -7.4227 -7.4227 -5.0938 -5.0938 -4.2789 -4.2789 -1.9269 -1.9269 0.0584 0.0584 0.5106 0.5106 1.5293 1.5293 2.2156 2.2156 3.4423 3.4423 4.2329 4.2329 5.0891 5.0891 5.8086 5.8086 6.1083 6.1083 6.2125 6.2125 9.2691 9.2691 9.5258 9.5258 9.7846 9.7846 12.1468 12.1468 12.4143 12.4143 k =-0.1053 0.0921 0.0000 ( 1785 PWs) bands (ev): -12.1540 -12.1540 -7.4138 -7.4138 -5.0865 -5.0865 -4.3109 -4.3109 -1.9981 -1.9981 0.1273 0.1273 0.4789 0.4789 1.5138 1.5138 2.2865 2.2865 3.3574 3.3574 4.1557 4.1557 5.0897 5.0897 5.9170 5.9170 6.0510 6.0510 6.2744 6.2744 9.2753 9.2753 9.3960 9.3960 9.9211 9.9211 12.1612 12.1612 12.4555 12.4555 k =-0.1140 0.0998 0.0000 ( 1785 PWs) bands (ev): -12.1417 -12.1417 -7.4041 -7.4041 -5.0786 -5.0786 -4.3446 -4.3446 -2.0689 -2.0689 0.1946 0.1946 0.4455 0.4455 1.4979 1.4979 2.3615 2.3615 3.2738 3.2738 4.0737 4.0737 5.0879 5.0879 6.0002 6.0002 6.0249 6.0249 6.3406 6.3406 9.2672 9.2672 9.2823 9.2823 10.0601 10.0601 12.1767 12.1767 12.4994 12.4994 k =-0.1228 0.1075 0.0000 ( 1791 PWs) bands (ev): -12.1286 -12.1286 -7.3938 -7.3938 -5.0701 -5.0701 -4.3799 -4.3799 -2.1392 -2.1392 0.2601 0.2601 0.4105 0.4105 1.4816 1.4816 2.4406 2.4406 3.1916 3.1916 3.9872 3.9872 5.0829 5.0829 5.9572 5.9572 6.1316 6.1316 6.4106 6.4106 9.1405 9.1405 9.2900 9.2900 10.2008 10.2008 12.1933 12.1933 12.5457 12.5457 k =-0.1316 0.1151 0.0000 ( 1795 PWs) bands (ev): -12.1147 -12.1147 -7.3829 -7.3829 -5.0612 -5.0612 -4.4167 -4.4167 -2.2085 -2.2085 0.3232 0.3232 0.3742 0.3742 1.4649 1.4649 2.5235 2.5235 3.1110 3.1110 3.8974 3.8974 5.0737 5.0737 5.9231 5.9231 6.2365 6.2365 6.4843 6.4843 9.0168 9.0168 9.2985 9.2985 10.3429 10.3429 12.2108 12.2108 12.5943 12.5943 k =-0.1404 0.1228 0.0000 ( 1791 PWs) bands (ev): -12.0999 -12.0999 -7.3713 -7.3713 -5.0518 -5.0518 -4.4546 -4.4546 -2.2770 -2.2770 0.3369 0.3369 0.3837 0.3837 1.4479 1.4479 2.6100 2.6100 3.0320 3.0320 3.8050 3.8050 5.0593 5.0593 5.8990 5.8990 6.3387 6.3387 6.5615 6.5615 8.8972 8.8972 9.3077 9.3077 10.4859 10.4859 12.2293 12.2293 12.6449 12.6449 k =-0.1491 0.1305 0.0000 ( 1795 PWs) bands (ev): -12.0844 -12.0844 -7.3592 -7.3592 -5.0419 -5.0419 -4.4935 -4.4935 -2.3444 -2.3444 0.2985 0.2985 0.4411 0.4411 1.4304 1.4304 2.7000 2.7000 2.9547 2.9547 3.7105 3.7105 5.0392 5.0392 5.8855 5.8855 6.4369 6.4369 6.6419 6.6419 8.7829 8.7829 9.3176 9.3176 10.6294 10.6294 12.2487 12.2487 12.6973 12.6973 k =-0.1579 0.1382 0.0000 ( 1793 PWs) bands (ev): -12.0682 -12.0682 -7.3465 -7.3465 -5.0316 -5.0316 -4.5333 -4.5333 -2.4107 -2.4107 0.2594 0.2594 0.4953 0.4953 1.4126 1.4126 2.7932 2.7932 2.8791 2.8791 3.6147 3.6147 5.0129 5.0129 5.8828 5.8828 6.5298 6.5298 6.7252 6.7252 8.6756 8.6756 9.3284 9.3284 10.7729 10.7729 12.2689 12.2689 12.7513 12.7513 k =-0.1667 0.1459 0.0000 ( 1797 PWs) bands (ev): -12.0513 -12.0513 -7.3333 -7.3333 -5.0210 -5.0210 -4.5737 -4.5737 -2.4759 -2.4759 0.2197 0.2197 0.5458 0.5458 1.3944 1.3944 2.8052 2.8052 2.8894 2.8894 3.5185 3.5185 4.9805 4.9805 5.8909 5.8909 6.6154 6.6154 6.8112 6.8112 8.5772 8.5772 9.3398 9.3398 10.9163 10.9163 12.2899 12.2899 12.8066 12.8066 k =-0.1754 0.1535 0.0000 ( 1799 PWs) bands (ev): -12.0337 -12.0337 -7.3196 -7.3196 -5.0099 -5.0099 -4.6147 -4.6147 -2.5397 -2.5397 0.1795 0.1795 0.5924 0.5924 1.3759 1.3759 2.7332 2.7332 2.9883 2.9883 3.4227 3.4227 4.9425 4.9425 5.9092 5.9092 6.6914 6.6914 6.8997 6.8997 8.4903 8.4903 9.3520 9.3520 11.0593 11.0593 12.3115 12.3115 12.8630 12.8630 k =-0.1842 0.1612 0.0000 ( 1795 PWs) bands (ev): -12.0155 -12.0155 -7.3054 -7.3054 -4.9985 -4.9985 -4.6559 -4.6559 -2.6023 -2.6023 0.1391 0.1391 0.6348 0.6348 1.3572 1.3572 2.6630 2.6630 3.0899 3.0899 3.3278 3.3278 4.8996 4.8996 5.9371 5.9371 6.7548 6.7548 6.9905 6.9905 8.4179 8.4179 9.3649 9.3649 11.2015 11.2015 12.3338 12.3338 12.9203 12.9203 k =-0.1930 0.1689 0.0000 ( 1787 PWs) bands (ev): -11.9968 -11.9968 -7.2908 -7.2908 -4.9868 -4.9868 -4.6974 -4.6974 -2.6636 -2.6636 0.0986 0.0986 0.6727 0.6727 1.3383 1.3383 2.5948 2.5948 3.1938 3.1938 3.2347 3.2347 4.8522 4.8522 5.9736 5.9736 6.8024 6.8024 7.0833 7.0833 8.3633 8.3633 9.3784 9.3784 11.3429 11.3429 12.3566 12.3566 12.9782 12.9782 k =-0.2018 0.1766 0.0000 ( 1787 PWs) bands (ev): -11.9775 -11.9775 -7.2759 -7.2759 -4.9747 -4.9747 -4.7389 -4.7389 -2.7236 -2.7236 0.0580 0.0580 0.7059 0.7059 1.3191 1.3191 2.5283 2.5283 3.1438 3.1438 3.3000 3.3000 4.8009 4.8009 6.0180 6.0180 6.8310 6.8310 7.1780 7.1780 8.3291 8.3291 9.3925 9.3925 11.4832 11.4832 12.3799 12.3799 13.0365 13.0366 k =-0.2105 0.1842 0.0000 ( 1791 PWs) bands (ev): -11.9578 -11.9578 -7.2606 -7.2606 -4.9623 -4.9623 -4.7803 -4.7803 -2.7822 -2.7822 0.0175 0.0175 0.7341 0.7341 1.2998 1.2998 2.4638 2.4638 3.0560 3.0560 3.4081 3.4081 4.7469 4.7469 6.0697 6.0697 6.8387 6.8387 7.2739 7.2739 8.3179 8.3179 9.4071 9.4071 11.6221 11.6221 12.4035 12.4035 13.0949 13.0949 k =-0.2193 0.1919 0.0000 ( 1795 PWs) bands (ev): -11.9377 -11.9377 -7.2450 -7.2450 -4.9497 -4.9497 -4.8216 -4.8216 -2.8396 -2.8396 -0.0227 -0.0227 0.7572 0.7572 1.2804 1.2804 2.4013 2.4013 2.9718 2.9718 3.5177 3.5177 4.6902 4.6902 6.1278 6.1278 6.8253 6.8253 7.3714 7.3714 8.3299 8.3299 9.4221 9.4221 11.7593 11.7593 12.4274 12.4274 13.1531 13.1531 k =-0.2281 0.1996 0.0000 ( 1795 PWs) bands (ev): -11.9173 -11.9173 -7.2292 -7.2292 -4.9368 -4.9368 -4.8625 -4.8625 -2.8956 -2.8956 -0.0626 -0.0626 0.7749 0.7749 1.2609 1.2609 2.3407 2.3407 2.8918 2.8918 3.6288 3.6288 4.6315 4.6315 6.1919 6.1919 6.7924 6.7924 7.4699 7.4699 8.3633 8.3633 9.4376 9.4376 11.8947 11.8947 12.4515 12.4515 13.2111 13.2111 k =-0.2368 0.2073 0.0000 ( 1793 PWs) bands (ev): -11.8965 -11.8965 -7.2131 -7.2131 -4.9236 -4.9236 -4.9030 -4.9030 -2.9504 -2.9504 -0.1020 -0.1020 0.7871 0.7871 1.2415 1.2415 2.2822 2.2822 2.8164 2.8164 3.7411 3.7411 4.5709 4.5709 6.2615 6.2615 6.7432 6.7432 7.5693 7.5693 8.4150 8.4150 9.4533 9.4533 12.0281 12.0281 12.4757 12.4757 13.2685 13.2685 k =-0.2456 0.2149 0.0000 ( 1793 PWs) bands (ev): -11.8755 -11.8755 -7.1969 -7.1969 -4.9429 -4.9429 -4.9102 -4.9102 -3.0039 -3.0039 -0.1408 -0.1408 0.7939 0.7939 1.2221 1.2221 2.2256 2.2256 2.7463 2.7463 3.8543 3.8543 4.5090 4.5090 6.3360 6.3360 6.6812 6.6812 7.6694 7.6694 8.4814 8.4814 9.4693 9.4693 12.1593 12.1593 12.4998 12.4998 13.3251 13.3251 k =-0.2544 0.2226 0.0000 ( 1789 PWs) bands (ev): -11.8542 -11.8542 -7.1805 -7.1805 -4.9822 -4.9822 -4.8964 -4.8964 -3.0562 -3.0562 -0.1790 -0.1790 0.7951 0.7951 1.2029 1.2029 2.1710 2.1710 2.6816 2.6816 3.9683 3.9683 4.4458 4.4458 6.4150 6.4150 6.6098 6.6098 7.7700 7.7700 8.5590 8.5590 9.4853 9.4853 12.2881 12.2881 12.5239 12.5239 13.3807 13.3807 k =-0.2632 0.2303 0.0000 ( 1789 PWs) bands (ev): -11.8329 -11.8329 -7.1641 -7.1641 -5.0208 -5.0208 -4.8825 -4.8825 -3.1073 -3.1073 -0.2165 -0.2165 0.7909 0.7909 1.1838 1.1838 2.1184 2.1184 2.6227 2.6227 4.0828 4.0828 4.3816 4.3816 6.4982 6.4982 6.5320 6.5320 7.8708 7.8708 8.6449 8.6449 9.5013 9.5013 12.4141 12.4141 12.5477 12.5477 13.4351 13.4351 k =-0.2719 0.2380 0.0000 ( 1785 PWs) bands (ev): -11.8116 -11.8116 -7.1477 -7.1477 -5.0585 -5.0585 -4.8682 -4.8682 -3.1573 -3.1573 -0.2531 -0.2531 0.7815 0.7815 1.1649 1.1649 2.0679 2.0679 2.5698 2.5698 4.1975 4.1975 4.3167 4.3167 6.4498 6.4498 6.5851 6.5851 7.9715 7.9715 8.7367 8.7367 9.5172 9.5172 12.5373 12.5373 12.5712 12.5712 13.4881 13.4881 k =-0.2807 0.2456 0.0000 ( 1791 PWs) bands (ev): -11.7902 -11.7902 -7.1313 -7.1313 -5.0954 -5.0954 -4.8538 -4.8538 -3.2062 -3.2062 -0.2889 -0.2889 0.7672 0.7672 1.1463 1.1463 2.0193 2.0193 2.5230 2.5230 4.2511 4.2511 4.3121 4.3121 6.3652 6.3652 6.6752 6.6752 8.0719 8.0719 8.8326 8.8326 9.5328 9.5328 12.5940 12.5940 12.6572 12.6572 13.5396 13.5396 k =-0.2895 0.2533 0.0000 ( 1791 PWs) bands (ev): -11.7689 -11.7689 -7.1150 -7.1150 -5.1313 -5.1313 -4.8390 -4.8390 -3.2541 -3.2541 -0.3237 -0.3237 0.7483 0.7483 1.1280 1.1280 1.9728 1.9728 2.4822 2.4822 4.1850 4.1850 4.4265 4.4265 6.2794 6.2794 6.7683 6.7683 8.1719 8.1719 8.9312 8.9312 9.5481 9.5481 12.6165 12.6165 12.7738 12.7738 13.5892 13.5892 k =-0.2982 0.2610 0.0000 ( 1791 PWs) bands (ev): -11.7478 -11.7478 -7.0988 -7.0988 -5.1662 -5.1662 -4.8239 -4.8239 -3.3010 -3.3010 -0.3575 -0.3575 0.7254 0.7254 1.1101 1.1101 1.9283 1.9283 2.4473 2.4473 4.1187 4.1187 4.5403 4.5403 6.1936 6.1936 6.8638 6.8638 8.2712 8.2712 9.0314 9.0314 9.5629 9.5629 12.6383 12.6383 12.8867 12.8867 13.6370 13.6370 k =-0.3070 0.2687 0.0000 ( 1791 PWs) bands (ev): -11.7269 -11.7269 -7.0828 -7.0828 -5.2000 -5.2000 -4.8085 -4.8085 -3.3470 -3.3470 -0.3903 -0.3903 0.6991 0.6991 1.0926 1.0926 1.8858 1.8858 2.4180 2.4180 4.0522 4.0522 4.6533 4.6533 6.1085 6.1085 6.9613 6.9613 8.3695 8.3695 9.1322 9.1322 9.5770 9.5770 12.6593 12.6593 12.9955 12.9955 13.6829 13.6829 k =-0.3158 0.2764 0.0000 ( 1791 PWs) bands (ev): -11.7062 -11.7062 -7.0671 -7.0671 -5.2327 -5.2327 -4.7927 -4.7927 -3.3921 -3.3921 -0.4219 -0.4219 0.6698 0.6698 1.0755 1.0755 1.8453 1.8453 2.3940 2.3940 3.9857 3.9857 4.7651 4.7651 6.0246 6.0246 7.0605 7.0605 8.4665 8.4665 9.2329 9.2329 9.5905 9.5905 12.6795 12.6795 13.1001 13.1001 13.7266 13.7266 k =-0.3246 0.2840 0.0000 ( 1797 PWs) bands (ev): -11.6859 -11.6859 -7.0516 -7.0516 -5.2641 -5.2641 -4.7766 -4.7766 -3.4364 -3.4364 -0.4523 -0.4523 0.6383 0.6383 1.0590 1.0590 1.8068 1.8068 2.3750 2.3750 3.9193 3.9193 4.8755 4.8755 5.9427 5.9427 7.1608 7.1608 8.5620 8.5620 9.3327 9.3327 9.6031 9.6031 12.6987 12.6987 13.2001 13.2001 13.7682 13.7682 k =-0.3333 0.2917 0.0000 ( 1795 PWs) bands (ev): -11.6660 -11.6660 -7.0365 -7.0365 -5.2943 -5.2943 -4.7601 -4.7601 -3.4799 -3.4799 -0.4815 -0.4815 0.6052 0.6052 1.0429 1.0429 1.7703 1.7703 2.3607 2.3607 3.8532 3.8532 4.9841 4.9841 5.8630 5.8630 7.2619 7.2619 8.6558 8.6558 9.4313 9.4313 9.6148 9.6148 12.7168 12.7168 13.2952 13.2952 13.8075 13.8075 k =-0.3421 0.2994 0.0000 ( 1795 PWs) bands (ev): -11.6467 -11.6467 -7.0218 -7.0218 -5.3232 -5.3232 -4.7431 -4.7431 -3.5226 -3.5226 -0.5094 -0.5094 0.5710 0.5710 1.0275 1.0275 1.7358 1.7358 2.3507 2.3507 3.7875 3.7875 5.0906 5.0906 5.7859 5.7859 7.3630 7.3630 8.7475 8.7475 9.5281 9.5281 9.6255 9.6255 12.7339 12.7339 13.3851 13.3851 13.8447 13.8447 k =-0.3509 0.3071 0.0000 ( 1799 PWs) bands (ev): -11.6279 -11.6279 -7.0075 -7.0075 -5.3508 -5.3508 -4.7258 -4.7258 -3.5646 -3.5646 -0.5360 -0.5360 0.5364 0.5364 1.0127 1.0127 1.7033 1.7033 2.3447 2.3447 3.7224 3.7224 5.1947 5.1947 5.7117 5.7117 7.4639 7.4639 8.8368 8.8368 9.6225 9.6225 9.6351 9.6351 12.7498 12.7498 13.4694 13.4694 13.8795 13.8795 k =-0.3596 0.3147 0.0000 ( 1802 PWs) bands (ev): -11.6097 -11.6097 -6.9938 -6.9938 -5.3770 -5.3770 -4.7079 -4.7079 -3.6059 -3.6059 -0.5613 -0.5613 0.5018 0.5018 0.9985 0.9985 1.6728 1.6728 2.3424 2.3424 3.6579 3.6579 5.2961 5.2961 5.6407 5.6407 7.5638 7.5638 8.9235 8.9235 9.6435 9.6435 9.7141 9.7141 12.7644 12.7644 13.5479 13.5479 13.9121 13.9121 k =-0.3684 0.3224 0.0000 ( 1802 PWs) bands (ev): -11.5922 -11.5922 -6.9806 -6.9806 -5.4017 -5.4017 -4.6896 -4.6896 -3.6465 -3.6465 -0.5852 -0.5852 0.4677 0.4677 0.9850 0.9850 1.6442 1.6442 2.3434 2.3434 3.5943 3.5943 5.3942 5.3942 5.5730 5.5730 7.6624 7.6624 9.0073 9.0073 9.6507 9.6507 9.8026 9.8026 12.7778 12.7778 13.6201 13.6201 13.9425 13.9425 k =-0.3772 0.3301 0.0000 ( 1798 PWs) bands (ev): -11.5755 -11.5755 -6.9679 -6.9679 -5.4250 -5.4250 -4.6709 -4.6709 -3.6863 -3.6863 -0.6077 -0.6077 0.4346 0.4346 0.9722 0.9722 1.6176 1.6176 2.3476 2.3476 3.5318 3.5318 5.4889 5.4889 5.5089 5.5089 7.7592 7.7592 9.0878 9.0878 9.6568 9.6568 9.8876 9.8876 12.7899 12.7899 13.6860 13.6860 13.9707 13.9707 k =-0.3860 0.3378 0.0000 ( 1802 PWs) bands (ev): -11.5596 -11.5596 -6.9560 -6.9560 -5.4468 -5.4468 -4.6517 -4.6517 -3.7254 -3.7254 -0.6287 -0.6287 0.4027 0.4027 0.9602 0.9602 1.5929 1.5929 2.3545 2.3545 3.4703 3.4703 5.4485 5.4485 5.5796 5.5796 7.8532 7.8532 9.1648 9.1648 9.6617 9.6617 9.9686 9.9686 12.8008 12.8008 13.7451 13.7451 13.9965 13.9965 k =-0.3947 0.3454 0.0000 ( 1810 PWs) bands (ev): -11.5447 -11.5447 -6.9447 -6.9447 -5.4671 -5.4671 -4.6321 -4.6321 -3.7637 -3.7637 -0.6483 -0.6483 0.3724 0.3724 0.9489 0.9489 1.5700 1.5700 2.3641 2.3641 3.4101 3.4101 5.3920 5.3920 5.6660 5.6660 7.9440 7.9440 9.2378 9.2378 9.6653 9.6653 10.0453 10.0453 12.8103 12.8103 13.7974 13.7974 14.0205 14.0205 k =-0.4035 0.3531 0.0000 ( 1810 PWs) bands (ev): -11.5306 -11.5306 -6.9341 -6.9341 -5.4859 -5.4859 -4.6120 -4.6120 -3.8011 -3.8011 -0.6664 -0.6664 0.3439 0.3439 0.9385 0.9385 1.5492 1.5492 2.3762 2.3762 3.3515 3.3515 5.3395 5.3395 5.7476 5.7476 8.0310 8.0310 9.3066 9.3066 9.6680 9.6680 10.1173 10.1173 12.8187 12.8187 13.8431 13.8431 14.0424 14.0424 k =-0.4123 0.3608 0.0000 ( 1810 PWs) bands (ev): -11.5176 -11.5176 -6.9244 -6.9244 -5.5031 -5.5031 -4.5917 -4.5917 -3.8375 -3.8375 -0.6830 -0.6830 0.3174 0.3174 0.9289 0.9289 1.5301 1.5301 2.3904 2.3904 3.2946 3.2946 5.2912 5.2912 5.8240 5.8240 8.1134 8.1134 9.3709 9.3709 9.6696 9.6696 10.1844 10.1844 12.8259 12.8259 13.8821 13.8821 14.0623 14.0623 k =-0.4211 0.3685 0.0000 ( 1810 PWs) bands (ev): -11.5057 -11.5057 -6.9154 -6.9154 -5.5187 -5.5187 -4.5712 -4.5712 -3.8728 -3.8728 -0.6981 -0.6981 0.2930 0.2930 0.9201 0.9201 1.5129 1.5129 2.4066 2.4066 3.2395 3.2395 5.2471 5.2471 5.8949 5.8949 8.1907 8.1907 9.4304 9.4304 9.6704 9.6704 10.2462 10.2462 12.8320 12.8320 13.9147 13.9147 14.0804 14.0804 k =-0.4298 0.3761 0.0000 ( 1812 PWs) bands (ev): -11.4948 -11.4948 -6.9073 -6.9073 -5.5328 -5.5328 -4.5506 -4.5506 -3.9066 -3.9066 -0.7116 -0.7116 0.2710 0.2710 0.9122 0.9122 1.4976 1.4976 2.4246 2.4246 3.1868 3.1868 5.2075 5.2075 5.9597 5.9597 8.2621 8.2621 9.4846 9.4846 9.6705 9.6705 10.3024 10.3024 12.8370 12.8370 13.9412 13.9412 14.0964 14.0964 k =-0.4386 0.3838 0.0000 ( 1812 PWs) bands (ev): -11.4851 -11.4851 -6.9001 -6.9001 -5.5452 -5.5452 -4.5302 -4.5302 -3.9389 -3.9389 -0.7236 -0.7236 0.2514 0.2514 0.9052 0.9052 1.4841 1.4841 2.4439 2.4439 3.1367 3.1367 5.1723 5.1723 6.0181 6.0181 8.3271 8.3271 9.5332 9.5332 9.6700 9.6700 10.3526 10.3526 12.8412 12.8412 13.9624 13.9624 14.1105 14.1105 k =-0.4474 0.3915 0.0000 ( 1812 PWs) bands (ev): -11.4767 -11.4767 -6.8937 -6.8937 -5.5560 -5.5560 -4.5103 -4.5103 -3.9692 -3.9692 -0.7340 -0.7340 0.2343 0.2343 0.8991 0.8991 1.4725 1.4725 2.4641 2.4641 3.0896 3.0896 5.1416 5.1416 6.0696 6.0696 8.3849 8.3849 9.5760 9.5760 9.6691 9.6691 10.3968 10.3968 12.8445 12.8445 13.9786 13.9786 14.1228 14.1228 k =-0.4561 0.3992 0.0000 ( 1812 PWs) bands (ev): -11.4694 -11.4694 -6.8883 -6.8883 -5.5652 -5.5652 -4.4914 -4.4914 -3.9970 -3.9970 -0.7428 -0.7428 0.2197 0.2197 0.8939 0.8939 1.4627 1.4627 2.4848 2.4848 3.0463 3.0463 5.1155 5.1155 6.1139 6.1139 8.4350 8.4350 9.6128 9.6128 9.6680 9.6680 10.4345 10.4345 12.8471 12.8471 13.9907 13.9907 14.1332 14.1332 k =-0.4649 0.4069 0.0000 ( 1812 PWs) bands (ev): -11.4635 -11.4635 -6.8838 -6.8838 -5.5727 -5.5727 -4.4740 -4.4740 -4.0216 -4.0216 -0.7500 -0.7500 0.2078 0.2078 0.8897 0.8897 1.4547 1.4547 2.5050 2.5050 3.0075 3.0075 5.0941 5.0941 6.1507 6.1507 8.4769 8.4769 9.6431 9.6431 9.6668 9.6668 10.4657 10.4657 12.8491 12.8491 13.9993 13.9993 14.1418 14.1418 k =-0.4737 0.4145 0.0000 ( 1812 PWs) bands (ev): -11.4588 -11.4588 -6.8803 -6.8803 -5.5785 -5.5785 -4.4589 -4.4589 -4.0424 -4.0424 -0.7557 -0.7557 0.1984 0.1984 0.8863 0.8863 1.4485 1.4485 2.5235 2.5235 2.9745 2.9745 5.0774 5.0774 6.1796 6.1796 8.5099 8.5099 9.6654 9.6654 9.6674 9.6674 10.4901 10.4901 12.8505 12.8505 14.0052 14.0052 14.1485 14.1485 k =-0.4825 0.4222 0.0000 ( 1804 PWs) bands (ev): -11.4554 -11.4554 -6.8778 -6.8778 -5.5827 -5.5827 -4.4471 -4.4471 -4.0583 -4.0583 -0.7597 -0.7597 0.1917 0.1917 0.8841 0.8841 1.4440 1.4440 2.5388 2.5388 2.9489 2.9489 5.0655 5.0655 6.2006 6.2006 8.5339 8.5339 9.6648 9.6648 9.6843 9.6843 10.5078 10.5078 12.8514 12.8514 14.0092 14.0092 14.1532 14.1532 k =-0.4912 0.4299 0.0000 ( 1804 PWs) bands (ev): -11.4534 -11.4534 -6.8763 -6.8763 -5.5852 -5.5852 -4.4395 -4.4395 -4.0683 -4.0683 -0.7621 -0.7621 0.1877 0.1877 0.8827 0.8827 1.4414 1.4414 2.5491 2.5491 2.9324 2.9324 5.0583 5.0583 6.2132 6.2132 8.5483 8.5483 9.6642 9.6642 9.6947 9.6947 10.5183 10.5183 12.8520 12.8520 14.0112 14.0112 14.1560 14.1560 k =-0.5000 0.4376 0.0000 ( 1804 PWs) bands (ev): -11.4528 -11.4528 -6.8758 -6.8758 -5.5860 -5.5860 -4.4369 -4.4369 -4.0718 -4.0718 -0.7629 -0.7629 0.1864 0.1864 0.8821 0.8821 1.4405 1.4405 2.5526 2.5526 2.9266 2.9266 5.0559 5.0559 6.2175 6.2175 8.5532 8.5532 9.6641 9.6641 9.6981 9.6981 10.5219 10.5219 12.8522 12.8522 14.0119 14.0119 14.1570 14.1570 k =-0.5000 0.4376 0.0000 ( 1804 PWs) bands (ev): -11.4528 -11.4528 -6.8758 -6.8758 -5.5860 -5.5860 -4.4369 -4.4369 -4.0718 -4.0718 -0.7629 -0.7629 0.1864 0.1864 0.8821 0.8821 1.4405 1.4405 2.5526 2.5526 2.9266 2.9266 5.0559 5.0559 6.2175 6.2175 8.5532 8.5532 9.6641 9.6641 9.6981 9.6981 10.5219 10.5219 12.8522 12.8522 14.0119 14.0119 14.1570 14.1570 k =-0.4927 0.4459-0.0000 ( 1804 PWs) bands (ev): -11.4531 -11.4531 -6.8761 -6.8761 -5.5874 -5.5874 -4.4356 -4.4356 -4.0709 -4.0709 -0.7631 -0.7631 0.1854 0.1854 0.8855 0.8855 1.4414 1.4414 2.5531 2.5531 2.9269 2.9269 5.0588 5.0588 6.2161 6.2161 8.5516 8.5516 9.6601 9.6601 9.6967 9.6967 10.5197 10.5197 12.8488 12.8488 14.0000 14.0000 14.1636 14.1636 k =-0.4854 0.4543-0.0000 ( 1800 PWs) bands (ev): -11.4541 -11.4541 -6.8769 -6.8769 -5.5914 -5.5914 -4.4320 -4.4320 -4.0682 -4.0682 -0.7639 -0.7639 0.1827 0.1827 0.8955 0.8955 1.4442 1.4442 2.5545 2.5545 2.9279 2.9279 5.0673 5.0673 6.2120 6.2120 8.5471 8.5471 9.6486 9.6486 9.6926 9.6926 10.5132 10.5132 12.8389 12.8389 13.9691 13.9691 14.1788 14.1788 k =-0.4780 0.4626-0.0000 ( 1800 PWs) bands (ev): -11.4557 -11.4557 -6.8782 -6.8782 -5.5980 -5.5980 -4.4261 -4.4261 -4.0636 -4.0636 -0.7650 -0.7650 0.1782 0.1782 0.9119 0.9119 1.4489 1.4489 2.5567 2.5567 2.9294 2.9294 5.0816 5.0816 6.2053 6.2053 8.5394 8.5394 9.6296 9.6296 9.6857 9.6857 10.5024 10.5024 12.8225 12.8225 13.9260 13.9260 14.1956 14.1956 k =-0.4707 0.4710-0.0000 ( 1804 PWs) bands (ev): -11.4580 -11.4580 -6.8800 -6.8800 -5.6071 -5.6071 -4.4180 -4.4180 -4.0573 -4.0573 -0.7667 -0.7667 0.1724 0.1724 0.9346 0.9346 1.4554 1.4554 2.5597 2.5597 2.9313 2.9313 5.1014 5.1014 6.1959 6.1959 8.5287 8.5287 9.6032 9.6032 9.6759 9.6759 10.4872 10.4872 12.7999 12.7999 13.8742 13.8742 14.2107 14.2107 k =-0.4634 0.4794-0.0000 ( 1804 PWs) bands (ev): -11.4609 -11.4609 -6.8824 -6.8824 -5.6182 -5.6182 -4.4081 -4.4081 -4.0491 -4.0491 -0.7687 -0.7687 0.1655 0.1655 0.9631 0.9631 1.4638 1.4638 2.5636 2.5636 2.9336 2.9336 5.1267 5.1267 6.1840 6.1840 8.5151 8.5151 9.5700 9.5700 9.6635 9.6635 10.4676 10.4676 12.7714 12.7714 13.8155 13.8155 14.2228 14.2228 k =-0.4561 0.4877-0.0000 ( 1804 PWs) bands (ev): -11.4645 -11.4645 -6.8853 -6.8853 -5.6312 -5.6312 -4.3966 -4.3966 -4.0391 -4.0391 -0.7710 -0.7710 0.1579 0.1579 0.9973 0.9973 1.4741 1.4741 2.5684 2.5684 2.9362 2.9362 5.1576 5.1576 6.1695 6.1695 8.4985 8.4985 9.5302 9.5302 9.6485 9.6485 10.4435 10.4435 12.7374 12.7374 13.7507 13.7507 14.2314 14.2314 k =-0.4488 0.4961-0.0000 ( 1804 PWs) bands (ev): -11.4688 -11.4688 -6.8887 -6.8887 -5.6458 -5.6458 -4.3839 -4.3839 -4.0274 -4.0274 -0.7735 -0.7735 0.1499 0.1499 1.0368 1.0368 1.4862 1.4862 2.5739 2.5739 2.9388 2.9388 5.1938 5.1938 6.1525 6.1525 8.4791 8.4791 9.4844 9.4844 9.6307 9.6307 10.4149 10.4149 12.6985 12.6985 13.6803 13.6803 14.2362 14.2362 k =-0.4415 0.5045-0.0000 ( 1802 PWs) bands (ev): -11.4737 -11.4737 -6.8926 -6.8926 -5.6616 -5.6616 -4.3702 -4.3702 -4.0138 -4.0138 -0.7762 -0.7762 0.1420 0.1420 1.0813 1.0813 1.5001 1.5001 2.5802 2.5802 2.9413 2.9413 5.2351 5.2351 6.1331 6.1331 8.4568 8.4568 9.4330 9.4330 9.6104 9.6104 10.3818 10.3818 12.6551 12.6551 13.6047 13.6047 14.2373 14.2373 k =-0.4415 0.5045-0.0000 ( 1802 PWs) bands (ev): -11.4737 -11.4737 -6.8926 -6.8926 -5.6616 -5.6616 -4.3702 -4.3702 -4.0138 -4.0138 -0.7762 -0.7762 0.1420 0.1420 1.0813 1.0813 1.5001 1.5001 2.5802 2.5802 2.9413 2.9413 5.2351 5.2351 6.1331 6.1331 8.4568 8.4568 9.4330 9.4330 9.6104 9.6104 10.3818 10.3818 12.6551 12.6551 13.6047 13.6047 14.2373 14.2373 k =-0.4415 0.5045 0.0117 ( 1800 PWs) bands (ev): -11.4728 -11.4728 -6.8991 -6.8991 -5.6606 -5.6606 -4.3629 -4.3629 -4.0129 -4.0129 -0.7859 -0.7859 0.1464 0.1464 1.0879 1.0879 1.4849 1.4849 2.5963 2.5963 2.9388 2.9388 5.2363 5.2363 6.1342 6.1342 8.4542 8.4542 9.4335 9.4335 9.6070 9.6070 10.3830 10.3830 12.6534 12.6534 13.6064 13.6064 14.2392 14.2392 k =-0.4415 0.5045 0.0233 ( 1806 PWs) bands (ev): -11.4700 -11.4700 -6.9183 -6.9183 -5.6578 -5.6578 -4.3415 -4.3415 -4.0103 -4.0103 -0.8144 -0.8144 0.1590 0.1590 1.1075 1.1075 1.4416 1.4416 2.6420 2.6420 2.9314 2.9314 5.2398 5.2398 6.1373 6.1373 8.4465 8.4465 9.4351 9.4351 9.5968 9.5968 10.3866 10.3866 12.6484 12.6484 13.6111 13.6111 14.2447 14.2447 k =-0.4415 0.5045 0.0350 ( 1808 PWs) bands (ev): -11.4654 -11.4654 -6.9494 -6.9494 -5.6532 -5.6532 -4.3066 -4.3066 -4.0060 -4.0060 -0.8591 -0.8591 0.1780 0.1780 1.1396 1.1396 1.3762 1.3762 2.7115 2.7115 2.9192 2.9192 5.2454 5.2454 6.1424 6.1424 8.4335 8.4335 9.4378 9.4378 9.5800 9.5800 10.3926 10.3926 12.6401 12.6401 13.6188 13.6188 14.2540 14.2540 k =-0.4415 0.5045 0.0466 ( 1812 PWs) bands (ev): -11.4589 -11.4589 -6.9916 -6.9916 -5.6467 -5.6467 -4.2592 -4.2592 -3.9999 -3.9999 -0.9173 -0.9173 0.2010 0.2010 1.1833 1.1833 1.2950 1.2950 2.7984 2.7984 2.9027 2.9027 5.2530 5.2530 6.1496 6.1496 8.4156 8.4156 9.4417 9.4417 9.5567 9.5567 10.4008 10.4008 12.6285 12.6285 13.6286 13.6286 14.2674 14.2674 k =-0.4415 0.5045 0.0583 ( 1812 PWs) bands (ev): -11.4506 -11.4506 -7.0435 -7.0435 -5.6385 -5.6385 -4.2006 -4.2006 -3.9921 -3.9921 -0.9861 -0.9861 0.2262 0.2262 1.2032 1.2032 1.2377 1.2377 2.8822 2.8822 2.8975 2.8975 5.2620 5.2620 6.1590 6.1590 8.3926 8.3926 9.4468 9.4468 9.5273 9.5273 10.4111 10.4111 12.6139 12.6139 13.6399 13.6399 14.2855 14.2855 k =-0.4415 0.5045 0.0699 ( 1815 PWs) bands (ev): -11.4405 -11.4405 -7.1039 -7.1039 -5.6285 -5.6285 -4.1320 -4.1320 -3.9826 -3.9826 -1.0628 -1.0628 0.2521 0.2521 1.1045 1.1045 1.3012 1.3012 2.8582 2.8582 3.0050 3.0050 5.2721 5.2721 6.1704 6.1704 8.3646 8.3646 9.4534 9.4534 9.4922 9.4922 10.4232 10.4232 12.5962 12.5962 13.6517 13.6517 14.3083 14.3083 k =-0.4415 0.5045 0.0816 ( 1815 PWs) bands (ev): -11.4286 -11.4286 -7.1713 -7.1713 -5.6167 -5.6167 -4.0550 -4.0550 -3.9714 -3.9714 -1.1456 -1.1456 0.2778 0.2778 1.0014 1.0014 1.3727 1.3727 2.8315 2.8315 3.1184 3.1184 5.2828 5.2828 6.1838 6.1838 8.3319 8.3319 9.4516 9.4516 9.4614 9.4614 10.4369 10.4369 12.5757 12.5757 13.6630 13.6630 14.3364 14.3364 k =-0.4415 0.5045 0.0932 ( 1816 PWs) bands (ev): -11.4149 -11.4149 -7.2445 -7.2445 -5.6032 -5.6032 -3.9707 -3.9707 -3.9586 -3.9586 -1.2327 -1.2327 0.3029 0.3029 0.8957 0.8957 1.4507 1.4507 2.8027 2.8027 3.2357 3.2357 5.2936 5.2936 6.1993 6.1993 8.2947 8.2947 9.4061 9.4061 9.4709 9.4709 10.4518 10.4518 12.5526 12.5526 13.6728 13.6728 14.3698 14.3698 k =-0.4415 0.5045 0.1049 ( 1818 PWs) bands (ev): -11.3994 -11.3994 -7.3226 -7.3226 -5.5881 -5.5881 -3.9442 -3.9442 -3.8803 -3.8803 -1.3230 -1.3230 0.3269 0.3269 0.7886 0.7886 1.5338 1.5338 2.7726 2.7726 3.3558 3.3558 5.3037 5.3037 6.2168 6.2168 8.2531 8.2531 9.3560 9.3560 9.4818 9.4818 10.4678 10.4678 12.5270 12.5270 13.6802 13.6802 14.4085 14.4085 k =-0.4415 0.5045 0.1166 ( 1816 PWs) bands (ev): -11.3822 -11.3822 -7.4043 -7.4043 -5.5713 -5.5713 -3.9282 -3.9282 -3.7849 -3.7849 -1.4154 -1.4154 0.3497 0.3497 0.6810 0.6810 1.6206 1.6206 2.7421 2.7421 3.4777 3.4777 5.3127 5.3127 6.2363 6.2363 8.2077 8.2077 9.3019 9.3019 9.4942 9.4942 10.4844 10.4844 12.4992 12.4992 13.6847 13.6847 14.4525 14.4525 k =-0.4415 0.5045 0.1282 ( 1814 PWs) bands (ev): -11.3634 -11.3634 -7.4889 -7.4889 -5.5530 -5.5530 -3.9106 -3.9106 -3.6854 -3.6854 -1.5092 -1.5092 0.3711 0.3711 0.5735 0.5735 1.7101 1.7101 2.7122 2.7122 3.6006 3.6006 5.3199 5.3199 6.2579 6.2579 8.1589 8.1589 9.2440 9.2440 9.5079 9.5079 10.5014 10.5014 12.4694 12.4694 13.6855 13.6855 14.5009 14.5009 k =-0.4415 0.5045 0.1399 ( 1812 PWs) bands (ev): -11.3428 -11.3428 -7.5757 -7.5757 -5.5330 -5.5330 -3.8916 -3.8916 -3.5827 -3.5827 -1.6037 -1.6037 0.3908 0.3908 0.4667 0.4667 1.8009 1.8009 2.6840 2.6840 3.7239 3.7239 5.3246 5.3246 6.2815 6.2815 8.1072 8.1072 9.1830 9.1830 9.5230 9.5230 10.5185 10.5185 12.4378 12.4378 13.6822 13.6822 14.5315 14.5315 k =-0.4415 0.5045 0.1515 ( 1814 PWs) bands (ev): -11.3207 -11.3207 -7.6638 -7.6638 -5.5116 -5.5116 -3.8712 -3.8712 -3.4775 -3.4775 -1.6985 -1.6985 0.3608 0.3608 0.4086 0.4086 1.8921 1.8921 2.6585 2.6585 3.8471 3.8471 5.3262 5.3262 6.3071 6.3071 8.0532 8.0532 9.1191 9.1191 9.5391 9.5391 10.5352 10.5352 12.4048 12.4048 13.6746 13.6746 14.4594 14.4594 k =-0.4415 0.5045 0.1632 ( 1816 PWs) bands (ev): -11.2970 -11.2970 -7.7529 -7.7529 -5.4888 -5.4888 -3.8495 -3.8495 -3.3704 -3.3704 -1.7930 -1.7930 0.2563 0.2563 0.4241 0.4241 1.9822 1.9822 2.6375 2.6375 3.9699 3.9699 5.3240 5.3240 6.3346 6.3346 7.9976 7.9976 9.0528 9.0528 9.5562 9.5562 10.5514 10.5514 12.3704 12.3704 13.6625 13.6625 14.3968 14.3968 k =-0.4415 0.5045 0.1748 ( 1812 PWs) bands (ev): -11.2718 -11.2718 -7.8424 -7.8424 -5.4645 -5.4645 -3.8264 -3.8264 -3.2620 -3.2620 -1.8868 -1.8868 0.1535 0.1535 0.4369 0.4369 2.0699 2.0699 2.6225 2.6225 4.0915 4.0915 5.3174 5.3174 6.3640 6.3640 7.9411 7.9411 8.9845 8.9845 9.5741 9.5741 10.5668 10.5668 12.3350 12.3350 13.6460 13.6460 14.3439 14.3439 k =-0.4415 0.5045 0.1865 ( 1810 PWs) bands (ev): -11.2452 -11.2452 -7.9318 -7.9318 -5.4389 -5.4389 -3.8022 -3.8022 -3.1530 -3.1530 -1.9797 -1.9797 0.0525 0.0525 0.4465 0.4465 2.1533 2.1533 2.6158 2.6158 4.2118 4.2118 5.3057 5.3057 6.3954 6.3954 7.8844 7.8844 8.9145 8.9145 9.5926 9.5926 10.5811 10.5811 12.2989 12.2989 13.6250 13.6250 14.3009 14.3009 k =-0.4415 0.5045 0.1981 ( 1804 PWs) bands (ev): -11.2172 -11.2172 -8.0207 -8.0207 -5.4122 -5.4122 -3.7769 -3.7769 -3.0438 -3.0438 -2.0713 -2.0713 -0.0463 -0.0463 0.4524 0.4524 2.2300 2.2300 2.6203 2.6203 4.3303 4.3303 5.2884 5.2884 6.4285 6.4285 7.8284 7.8284 8.8431 8.8431 9.6114 9.6114 10.5942 10.5942 12.2623 12.2623 13.5996 13.5996 14.2678 14.2678 k =-0.4415 0.5045 0.2098 ( 1802 PWs) bands (ev): -11.1881 -11.1881 -8.1089 -8.1089 -5.3843 -5.3843 -3.7507 -3.7507 -2.9349 -2.9349 -2.1612 -2.1612 -0.1427 -0.1427 0.4541 0.4541 2.2974 2.2974 2.6386 2.6386 4.4467 4.4467 5.2650 5.2650 6.4635 6.4635 7.7738 7.7738 8.7706 8.7706 9.6304 9.6304 10.6060 10.6060 12.2255 12.2255 13.5700 13.5700 14.2446 14.2446 k =-0.4415 0.5045 0.2215 ( 1796 PWs) bands (ev): -11.1577 -11.1577 -8.1959 -8.1959 -5.3554 -5.3554 -3.7236 -3.7236 -2.8270 -2.8270 -2.2489 -2.2489 -0.2366 -0.2366 0.4513 0.4513 2.3538 2.3538 2.6729 2.6729 4.5605 4.5605 5.2349 5.2349 6.5003 6.5003 7.7213 7.7213 8.6974 8.6974 9.6494 9.6494 10.6165 10.6165 12.1888 12.1888 13.5365 13.5365 14.2310 14.2310 k =-0.4415 0.5045 0.2331 ( 1792 PWs) bands (ev): -11.1264 -11.1264 -8.2814 -8.2814 -5.3256 -5.3256 -3.6959 -3.6959 -2.7211 -2.7211 -2.3336 -2.3336 -0.3276 -0.3276 0.4436 0.4436 2.4006 2.4006 2.7219 2.7219 4.6713 4.6713 5.1978 5.1978 6.5387 6.5387 7.6715 7.6715 8.6237 8.6237 9.6680 9.6680 10.6257 10.6257 12.1524 12.1524 13.4994 13.4994 14.2266 14.2266 k =-0.4415 0.5045 0.2448 ( 1789 PWs) bands (ev): -11.0943 -11.0943 -8.3651 -8.3651 -5.2952 -5.2952 -3.6676 -3.6676 -2.6200 -2.6200 -2.4126 -2.4126 -0.4157 -0.4157 0.4309 0.4309 2.4417 2.4417 2.7816 2.7816 4.7788 4.7788 5.1536 5.1536 6.5788 6.5788 7.6250 7.6250 8.5498 8.5498 9.6860 9.6860 10.6338 10.6338 12.1165 12.1165 13.4594 13.4594 14.2310 14.2310 k =-0.4415 0.5045 0.2564 ( 1785 PWs) bands (ev): -11.0614 -11.0614 -8.4466 -8.4466 -5.2643 -5.2643 -3.6391 -3.6391 -2.5510 -2.5510 -2.4588 -2.4588 -0.5003 -0.5003 0.4132 0.4132 2.4816 2.4816 2.8474 2.8474 4.8823 4.8823 5.1022 5.1022 6.6205 6.6205 7.5822 7.5822 8.4759 8.4759 9.7034 9.7034 10.6408 10.6408 12.0814 12.0814 13.4170 13.4170 14.2436 14.2436 k =-0.4415 0.5045 0.2681 ( 1785 PWs) bands (ev): -11.0281 -11.0281 -8.5257 -8.5257 -5.2330 -5.2330 -3.6104 -3.6104 -2.5949 -2.5949 -2.3913 -2.3913 -0.5814 -0.5814 0.3907 0.3907 2.5235 2.5235 2.9157 2.9157 4.9817 4.9817 5.0438 5.0438 6.6635 6.6635 7.5433 7.5433 8.4023 8.4023 9.7198 9.7198 10.6469 10.6469 12.0474 12.0474 13.3728 13.3728 14.2635 14.2635 k =-0.4415 0.5045 0.2797 ( 1785 PWs) bands (ev): -10.9946 -10.9946 -8.6020 -8.6020 -5.2017 -5.2017 -3.5818 -3.5818 -2.6653 -2.6653 -2.2970 -2.2970 -0.6587 -0.6587 0.3638 0.3638 2.5693 2.5693 2.9838 2.9838 4.9786 4.9786 5.0762 5.0762 6.7077 6.7077 7.5086 7.5086 8.3293 8.3293 9.7351 9.7351 10.6524 10.6524 12.0147 12.0147 13.3275 13.3275 14.2899 14.2899 k =-0.4415 0.5045 0.2914 ( 1783 PWs) bands (ev): -10.9612 -10.9612 -8.6751 -8.6751 -5.1706 -5.1706 -3.5537 -3.5537 -2.7355 -2.7355 -2.2026 -2.2026 -0.7317 -0.7317 0.3331 0.3331 2.6199 2.6199 3.0504 3.0504 4.9072 4.9072 5.1656 5.1656 6.7532 6.7532 7.4780 7.4780 8.2571 8.2571 9.7492 9.7492 10.6574 10.6574 11.9835 11.9835 13.2821 13.2821 14.3218 14.3218 k =-0.4415 0.5045 0.3030 ( 1779 PWs) bands (ev): -10.9281 -10.9281 -8.7446 -8.7446 -5.1401 -5.1401 -3.5262 -3.5262 -2.8027 -2.8027 -2.1109 -2.1109 -0.8003 -0.8003 0.2993 0.2993 2.6753 2.6753 3.1144 3.1144 4.8304 4.8304 5.2494 5.2494 6.7995 6.7995 7.4514 7.4514 8.1860 8.1860 9.7620 9.7620 10.6620 10.6620 11.9541 11.9541 13.2371 13.2371 14.3581 14.3581 k =-0.4415 0.5045 0.3147 ( 1779 PWs) bands (ev): -10.8958 -10.8958 -8.8100 -8.8100 -5.1104 -5.1104 -3.4998 -3.4998 -2.8659 -2.8659 -2.0233 -2.0233 -0.8640 -0.8640 0.2631 0.2631 2.7351 2.7351 3.1751 3.1751 4.7488 4.7488 5.3270 5.3270 6.8465 6.8465 7.4286 7.4286 8.1163 8.1163 9.7733 9.7733 10.6664 10.6664 11.9266 11.9266 13.1934 13.1934 14.3975 14.3975 k =-0.4415 0.5045 0.3264 ( 1775 PWs) bands (ev): -10.8646 -10.8646 -8.8710 -8.8710 -5.0820 -5.0820 -3.4747 -3.4747 -2.9246 -2.9246 -1.9406 -1.9406 -0.9226 -0.9226 0.2256 0.2256 2.7985 2.7985 3.2320 3.2320 4.6637 4.6637 5.3981 5.3981 6.8939 6.8939 7.4094 7.4094 8.0484 8.0484 9.7833 9.7833 10.6705 10.6705 11.9014 11.9014 13.1519 13.1519 14.4387 14.4387 k =-0.4415 0.5045 0.3380 ( 1779 PWs) bands (ev): -10.8352 -10.8352 -8.9269 -8.9269 -5.0553 -5.0553 -3.4513 -3.4513 -2.9781 -2.9781 -1.8636 -1.8636 -0.9755 -0.9755 0.1879 0.1879 2.8643 2.8643 3.2851 3.2851 4.5762 4.5762 5.4622 5.4622 6.9413 6.9413 7.3935 7.3935 7.9828 7.9828 9.7917 9.7917 10.6745 10.6745 11.8786 11.8786 13.1133 13.1133 14.4804 14.4804 k =-0.4415 0.5045 0.3497 ( 1783 PWs) bands (ev): -10.8079 -10.8079 -8.9771 -8.9771 -5.0307 -5.0307 -3.4300 -3.4300 -3.0260 -3.0260 -1.7934 -1.7934 -1.0225 -1.0225 0.1510 0.1510 2.9307 2.9307 3.3343 3.3343 4.4879 4.4879 5.5189 5.5189 6.9879 6.9879 7.3804 7.3804 7.9201 7.9201 9.7988 9.7988 10.6782 10.6782 11.8583 11.8583 13.0782 13.0782 14.5212 14.5212 k =-0.4415 0.5045 0.3613 ( 1780 PWs) bands (ev): -10.7834 -10.7834 -9.0211 -9.0211 -5.0088 -5.0088 -3.4112 -3.4112 -3.0677 -3.0677 -1.7310 -1.7310 -1.0630 -1.0630 0.1164 0.1164 2.9956 2.9956 3.3799 3.3799 4.4007 4.4007 5.5676 5.5676 7.0331 7.0331 7.3700 7.3700 7.8613 7.8613 9.8046 9.8046 10.6818 10.6818 11.8409 11.8409 13.0473 13.0473 14.5599 14.5599 k =-0.4415 0.5045 0.3730 ( 1780 PWs) bands (ev): -10.7623 -10.7623 -9.0582 -9.0582 -4.9900 -4.9900 -3.3952 -3.3952 -3.1028 -3.1028 -1.6776 -1.6776 -1.0968 -1.0968 0.0855 0.0855 3.0557 3.0557 3.4222 3.4222 4.3173 4.3173 5.6081 5.6081 7.0757 7.0757 7.3619 7.3619 7.8075 7.8075 9.8091 9.8091 10.6849 10.6849 11.8263 11.8263 13.0212 13.0212 14.5951 14.5951 k =-0.4415 0.5045 0.3846 ( 1783 PWs) bands (ev): -10.7451 -10.7451 -9.0878 -9.0878 -4.9749 -4.9749 -3.3823 -3.3823 -3.1306 -3.1306 -1.6343 -1.6343 -1.1235 -1.1235 0.0595 0.0595 3.1078 3.1078 3.4608 3.4608 4.2415 4.2415 5.6399 5.6399 7.1136 7.1136 7.3559 7.3559 7.7606 7.7606 9.8125 9.8125 10.6874 10.6874 11.8148 11.8148 13.0004 13.0004 14.6262 14.6262 k =-0.4415 0.5045 0.3963 ( 1787 PWs) bands (ev): -10.7324 -10.7324 -9.1095 -9.1095 -4.9637 -4.9637 -3.3729 -3.3729 -3.1508 -3.1508 -1.6024 -1.6024 -1.1428 -1.1428 0.0397 0.0397 3.1481 3.1481 3.4941 3.4941 4.1785 4.1785 5.6629 5.6629 7.1446 7.1446 7.3517 7.3517 7.7233 7.7233 9.8149 9.8149 10.6893 10.6893 11.8065 11.8065 12.9853 12.9853 14.6521 14.6521 k =-0.4415 0.5045 0.4079 ( 1796 PWs) bands (ev): -10.7246 -10.7246 -9.1227 -9.1227 -4.9569 -4.9569 -3.3672 -3.3672 -3.1631 -3.1631 -1.5828 -1.5828 -1.1545 -1.1545 0.0274 0.0274 3.1735 3.1735 3.5180 3.5180 4.1355 4.1355 5.6767 5.6767 7.1652 7.1652 7.3492 7.3492 7.6988 7.6988 9.8163 9.8163 10.6905 10.6905 11.8015 11.8015 12.9760 12.9760 14.6726 14.6726 k =-0.4415 0.5045 0.4196 ( 1798 PWs) bands (ev): -10.7220 -10.7220 -9.1271 -9.1271 -4.9546 -4.9546 -3.3653 -3.3653 -3.1673 -3.1673 -1.5762 -1.5762 -1.1584 -1.1584 0.0232 0.0232 3.1822 3.1822 3.5269 3.5269 4.1201 4.1201 5.6813 5.6813 7.1725 7.1725 7.3484 7.3484 7.6902 7.6902 9.8167 9.8167 10.6909 10.6909 11.7998 11.7998 12.9729 12.9729 14.6825 14.6825 k =-0.4415 0.5045 0.4196 ( 1798 PWs) bands (ev): -10.7220 -10.7220 -9.1271 -9.1271 -4.9546 -4.9546 -3.3653 -3.3653 -3.1673 -3.1673 -1.5762 -1.5762 -1.1584 -1.1584 0.0232 0.0232 3.1822 3.1822 3.5269 3.5269 4.1201 4.1201 5.6813 5.6813 7.1725 7.1725 7.3484 7.3484 7.6902 7.6902 9.8167 9.8167 10.6909 10.6909 11.7998 11.7998 12.9729 12.9729 14.6825 14.6825 k =-0.4488 0.4961 0.4196 ( 1794 PWs) bands (ev): -10.7173 -10.7173 -9.1230 -9.1230 -4.9342 -4.9342 -3.3776 -3.3776 -3.1645 -3.1645 -1.6228 -1.6228 -1.1738 -1.1738 0.0148 0.0148 3.2100 3.2100 3.5007 3.5007 4.0872 4.0872 5.6843 5.6843 7.1946 7.1946 7.3670 7.3670 7.7037 7.7037 9.8988 9.8988 10.6878 10.6878 11.8589 11.8589 12.9842 12.9842 14.6583 14.6583 k =-0.4561 0.4877 0.4196 ( 1786 PWs) bands (ev): -10.7133 -10.7133 -9.1195 -9.1195 -4.9156 -4.9156 -3.3883 -3.3883 -3.1618 -3.1618 -1.6643 -1.6643 -1.1872 -1.1872 0.0073 0.0073 3.2358 3.2358 3.4779 3.4779 4.0573 4.0573 5.6868 5.6868 7.2138 7.2138 7.3833 7.3833 7.7157 7.7157 9.9744 9.9744 10.6818 10.6818 11.9115 11.9115 12.9934 12.9934 14.6372 14.6372 k =-0.4634 0.4794 0.4196 ( 1782 PWs) bands (ev): -10.7098 -10.7098 -9.1166 -9.1166 -4.8991 -4.8991 -3.3973 -3.3973 -3.1594 -3.1594 -1.7002 -1.7002 -1.1985 -1.1985 0.0007 0.0007 3.2588 3.2588 3.4584 3.4584 4.0307 4.0307 5.6888 5.6888 7.2302 7.2302 7.3973 7.3973 7.7261 7.7261 10.0427 10.0427 10.6733 10.6733 11.9568 11.9568 13.0009 13.0009 14.6192 14.6192 k =-0.4707 0.4710 0.4196 ( 1782 PWs) bands (ev): -10.7070 -10.7070 -9.1143 -9.1143 -4.8851 -4.8851 -3.4047 -3.4047 -3.1573 -3.1573 -1.7303 -1.7303 -1.2078 -1.2078 -0.0049 -0.0049 3.2789 3.2789 3.4424 3.4424 4.0079 4.0079 5.6903 5.6903 7.2437 7.2437 7.4088 7.4088 7.7347 7.7347 10.1027 10.1027 10.6628 10.6628 11.9945 11.9945 13.0069 13.0069 14.6045 14.6045 k =-0.4780 0.4626 0.4196 ( 1778 PWs) bands (ev): -10.7048 -10.7048 -9.1124 -9.1124 -4.8738 -4.8738 -3.4105 -3.4105 -3.1556 -3.1556 -1.7540 -1.7540 -1.2150 -1.2150 -0.0093 -0.0093 3.2952 3.2952 3.4298 3.4298 3.9894 3.9894 5.6915 5.6915 7.2542 7.2542 7.4178 7.4178 7.7415 7.7415 10.1528 10.1528 10.6516 10.6516 12.0242 12.0242 13.0114 13.0114 14.5929 14.5929 k =-0.4854 0.4543 0.4196 ( 1768 PWs) bands (ev): -10.7032 -10.7032 -9.1111 -9.1111 -4.8656 -4.8656 -3.4146 -3.4146 -3.1543 -3.1543 -1.7711 -1.7711 -1.2201 -1.2201 -0.0125 -0.0125 3.3075 3.3075 3.4209 3.4209 3.9758 3.9758 5.6923 5.6923 7.2619 7.2619 7.4244 7.4244 7.7464 7.7464 10.1912 10.1912 10.6413 10.6413 12.0458 12.0458 13.0145 13.0145 14.5847 14.5847 k =-0.4927 0.4459 0.4196 ( 1768 PWs) bands (ev): -10.7023 -10.7023 -9.1104 -9.1104 -4.8605 -4.8605 -3.4170 -3.4170 -3.1535 -3.1535 -1.7815 -1.7815 -1.2232 -1.2232 -0.0144 -0.0144 3.3151 3.3151 3.4155 3.4155 3.9673 3.9673 5.6928 5.6928 7.2664 7.2664 7.4283 7.4283 7.7493 7.7493 10.2156 10.2156 10.6338 10.6338 12.0588 12.0588 13.0163 13.0163 14.5797 14.5797 k =-0.5000 0.4376 0.4196 ( 1768 PWs) bands (ev): -10.7020 -10.7020 -9.1101 -9.1101 -4.8588 -4.8588 -3.4179 -3.4179 -3.1532 -3.1532 -1.7850 -1.7850 -1.2242 -1.2242 -0.0151 -0.0151 3.3176 3.3176 3.4137 3.4137 3.9645 3.9645 5.6929 5.6929 7.2679 7.2679 7.4296 7.4296 7.7503 7.7503 10.2240 10.2240 10.6310 10.6310 12.0631 12.0631 13.0169 13.0169 14.5781 14.5781 k =-0.5000 0.4376 0.4196 ( 1768 PWs) bands (ev): -10.7020 -10.7020 -9.1101 -9.1101 -4.8588 -4.8588 -3.4179 -3.4179 -3.1532 -3.1532 -1.7850 -1.7850 -1.2242 -1.2242 -0.0151 -0.0151 3.3176 3.3176 3.4137 3.4137 3.9645 3.9645 5.6929 5.6929 7.2679 7.2679 7.4296 7.4296 7.7503 7.7503 10.2240 10.2240 10.6310 10.6310 12.0631 12.0631 13.0169 13.0169 14.5781 14.5781 k =-0.5000 0.4376 0.4079 ( 1766 PWs) bands (ev): -10.7046 -10.7046 -9.1057 -9.1057 -4.8613 -4.8613 -3.4198 -3.4198 -3.1490 -3.1490 -1.7907 -1.7907 -1.2203 -1.2203 -0.0116 -0.0116 3.3141 3.3141 3.3932 3.3932 3.9862 3.9862 5.6883 5.6883 7.2596 7.2596 7.4304 7.4304 7.7600 7.7600 10.2225 10.2225 10.6317 10.6317 12.0646 12.0646 13.0202 13.0202 14.5738 14.5738 k =-0.5000 0.4376 0.3963 ( 1774 PWs) bands (ev): -10.7124 -10.7124 -9.0926 -9.0926 -4.8686 -4.8686 -3.4256 -3.4256 -3.1362 -3.1362 -1.8078 -1.8078 -1.2085 -1.2085 -0.0014 -0.0014 3.3036 3.3036 3.3395 3.3395 4.0434 4.0434 5.6741 5.6741 7.2361 7.2361 7.4329 7.4329 7.7872 7.7872 10.2179 10.2179 10.6335 10.6335 12.0690 12.0690 13.0300 13.0300 14.5609 14.5609 k =-0.5000 0.4376 0.3846 ( 1774 PWs) bands (ev): -10.7251 -10.7251 -9.0710 -9.0710 -4.8804 -4.8804 -3.4352 -3.4352 -3.1152 -3.1152 -1.8358 -1.8358 -1.1891 -1.1891 0.0151 0.0151 3.2669 3.2669 3.2862 3.2862 4.1218 4.1218 5.6507 5.6507 7.2018 7.2018 7.4372 7.4372 7.8281 7.8281 10.2106 10.2106 10.6365 10.6365 12.0764 12.0764 13.0462 13.0462 14.5402 14.5402 k =-0.5000 0.4376 0.3730 ( 1776 PWs) bands (ev): -10.7423 -10.7423 -9.0414 -9.0414 -4.8965 -4.8965 -3.4482 -3.4482 -3.0864 -3.0864 -1.8739 -1.8739 -1.1622 -1.1622 0.0370 0.0370 3.1856 3.1856 3.2620 3.2620 4.2112 4.2112 5.6182 5.6182 7.1605 7.1605 7.4434 7.4434 7.8785 7.8785 10.2005 10.2005 10.6406 10.6406 12.0867 12.0867 13.0684 13.0684 14.5126 14.5126 k =-0.5000 0.4376 0.3613 ( 1786 PWs) bands (ev): -10.7634 -10.7634 -9.0044 -9.0044 -4.9164 -4.9164 -3.4644 -3.4644 -3.0502 -3.0502 -1.9214 -1.9214 -1.1281 -1.1281 0.0633 0.0633 3.1014 3.1014 3.2310 3.2310 4.3056 4.3056 5.5769 5.5769 7.1150 7.1150 7.4518 7.4518 7.9357 7.9357 10.1878 10.1878 10.6456 10.6456 12.0997 12.0997 13.0964 13.0964 14.4794 14.4794 k =-0.5000 0.4376 0.3497 ( 1784 PWs) bands (ev): -10.7879 -10.7879 -8.9605 -8.9605 -4.9394 -4.9394 -3.4834 -3.4834 -3.0071 -3.0071 -1.9773 -1.9773 -1.0873 -1.0873 0.0930 0.0930 3.0178 3.0178 3.1937 3.1937 4.4014 4.4014 5.5272 5.5272 7.0674 7.0674 7.4627 7.4627 7.9976 7.9976 10.1729 10.1729 10.6514 10.6514 12.1155 12.1155 13.1297 13.1297 14.4422 14.4422 k =-0.5000 0.4376 0.3380 ( 1784 PWs) bands (ev): -10.8151 -10.8151 -8.9104 -8.9104 -4.9652 -4.9652 -3.5050 -3.5050 -2.9577 -2.9577 -2.0407 -2.0407 -1.0400 -1.0400 0.1249 0.1249 2.9370 2.9370 3.1500 3.1500 4.4964 4.4964 5.4694 5.4694 7.0188 7.0188 7.4762 7.4762 8.0629 8.0629 10.1557 10.1557 10.6577 10.6577 12.1338 12.1338 13.1675 13.1675 14.4023 14.4023 k =-0.5000 0.4376 0.3264 ( 1790 PWs) bands (ev): -10.8445 -10.8445 -8.8546 -8.8546 -4.9932 -4.9932 -3.5286 -3.5286 -2.9026 -2.9026 -2.1108 -2.1108 -0.9867 -0.9867 0.1577 0.1577 2.8602 2.8602 3.1000 3.1000 4.5888 4.5888 5.4039 5.4039 6.9699 6.9699 7.4926 7.4926 8.1308 8.1308 10.1367 10.1367 10.6643 10.6643 12.1545 12.1545 13.2094 13.2094 14.3613 14.3613 k =-0.5000 0.4376 0.3147 ( 1800 PWs) bands (ev): -10.8756 -10.8756 -8.7938 -8.7938 -5.0229 -5.0229 -3.5540 -3.5540 -2.8422 -2.8422 -2.1868 -2.1868 -0.9278 -0.9278 0.1905 0.1905 2.7888 2.7888 3.0444 3.0444 4.6775 4.6775 5.3312 5.3312 6.9214 6.9214 7.5124 7.5124 8.2007 8.2007 10.1161 10.1161 10.6708 10.6708 12.1775 12.1775 13.2548 13.2548 14.3209 14.3209 k =-0.5000 0.4376 0.3030 ( 1796 PWs) bands (ev): -10.9079 -10.9079 -8.7284 -8.7284 -5.0538 -5.0538 -3.5807 -3.5807 -2.7771 -2.7771 -2.2679 -2.2679 -0.8637 -0.8637 0.2224 0.2224 2.7238 2.7238 2.9833 2.9833 4.7615 4.7615 5.2519 5.2519 6.8737 6.8737 7.5359 7.5359 8.2721 8.2721 10.0942 10.0942 10.6771 10.6771 12.2026 12.2026 13.3029 13.3029 14.2824 14.2824 k =-0.5000 0.4376 0.2914 ( 1798 PWs) bands (ev): -10.9409 -10.9409 -8.6590 -8.6590 -5.0856 -5.0856 -3.6084 -3.6084 -2.7077 -2.7077 -2.3536 -2.3536 -0.7947 -0.7947 0.2522 0.2522 2.6659 2.6659 2.9169 2.9169 4.8395 4.8395 5.1663 5.1663 6.8270 6.8270 7.5633 7.5633 8.3447 8.3447 10.0712 10.0712 10.6827 10.6827 12.2294 12.2294 13.3529 13.3529 14.2473 14.2473 k =-0.5000 0.4376 0.2797 ( 1798 PWs) bands (ev): -10.9743 -10.9743 -8.5861 -8.5861 -5.1178 -5.1178 -3.6369 -3.6369 -2.6344 -2.6344 -2.4432 -2.4432 -0.7212 -0.7212 0.2793 0.2793 2.6157 2.6157 2.8456 2.8456 4.9110 4.9110 5.0750 5.0750 6.7815 6.7815 7.5947 7.5947 8.4181 8.4181 10.0475 10.0475 10.6875 10.6875 12.2580 12.2580 13.4041 13.4041 14.2167 14.2167 k =-0.5000 0.4376 0.2681 ( 1794 PWs) bands (ev): -11.0078 -11.0078 -8.5099 -8.5099 -5.1501 -5.1501 -3.6657 -3.6657 -2.5577 -2.5577 -2.5363 -2.5363 -0.6435 -0.6435 0.3029 0.3029 2.5738 2.5738 2.7698 2.7698 4.9753 4.9753 4.9785 4.9785 6.7374 6.7374 7.6304 7.6304 8.4922 8.4922 10.0232 10.0232 10.6911 10.6911 12.2882 12.2882 13.4558 13.4558 14.1919 14.1919 k =-0.5000 0.4376 0.2564 ( 1798 PWs) bands (ev): -11.0410 -11.0410 -8.4309 -8.4309 -5.1824 -5.1824 -3.6946 -3.6946 -2.6323 -2.6323 -2.4778 -2.4778 -0.5620 -0.5620 0.3225 0.3225 2.5404 2.5404 2.6896 2.6896 4.8772 4.8772 5.0322 5.0322 6.6947 6.6947 7.6702 7.6702 8.5666 8.5666 9.9985 9.9985 10.6933 10.6933 12.3196 12.3196 13.5072 13.5072 14.1739 14.1739 k =-0.5000 0.4376 0.2448 ( 1802 PWs) bands (ev): -11.0738 -11.0738 -8.3495 -8.3495 -5.2142 -5.2142 -3.7234 -3.7234 -2.7309 -2.7309 -2.3951 -2.3951 -0.4769 -0.4769 0.3376 0.3376 2.5158 2.5158 2.6056 2.6056 4.7715 4.7715 5.0810 5.0810 6.6536 6.6536 7.7139 7.7139 8.6412 8.6412 9.9738 9.9738 10.6939 10.6939 12.3520 12.3520 13.5576 13.5576 14.1634 14.1634 k =-0.5000 0.4376 0.2331 ( 1810 PWs) bands (ev): -11.1059 -11.1059 -8.2660 -8.2660 -5.2455 -5.2455 -3.7519 -3.7519 -2.8317 -2.8317 -2.3098 -2.3098 -0.3886 -0.3886 0.3483 0.3483 2.4998 2.4998 2.5181 2.5181 4.6618 4.6618 5.1219 5.1219 6.6141 6.6141 7.7614 7.7614 8.7156 8.7156 9.9492 9.9492 10.6927 10.6927 12.3852 12.3852 13.6065 13.6065 14.1615 14.1615 k =-0.5000 0.4376 0.2215 ( 1810 PWs) bands (ev): -11.1372 -11.1372 -8.1806 -8.1806 -5.2760 -5.2760 -3.7798 -3.7798 -2.9341 -2.9341 -2.2223 -2.2223 -0.2971 -0.2971 0.3545 0.3545 2.4273 2.4273 2.4925 2.4925 4.5491 4.5491 5.1552 5.1552 6.5763 6.5763 7.8121 7.8121 8.7897 8.7897 9.9249 9.9249 10.6897 10.6897 12.4190 12.4190 13.6532 13.6532 14.1687 14.1687 k =-0.5000 0.4376 0.2098 ( 1810 PWs) bands (ev): -11.1675 -11.1675 -8.0937 -8.0937 -5.3055 -5.3055 -3.8071 -3.8071 -3.0379 -3.0379 -2.1329 -2.1329 -0.2028 -0.2028 0.3563 0.3563 2.3338 2.3338 2.4931 2.4931 4.4334 4.4334 5.1808 5.1808 6.5402 6.5402 7.8654 7.8654 8.8632 8.8632 9.9011 9.9011 10.6848 10.6848 12.4531 12.4531 13.6973 13.6973 14.1853 14.1853 k =-0.5000 0.4376 0.1981 ( 1814 PWs) bands (ev): -11.1966 -11.1966 -8.0057 -8.0057 -5.3341 -5.3341 -3.8335 -3.8335 -3.1426 -3.1426 -2.0417 -2.0417 -0.1060 -0.1060 0.3542 0.3542 2.2379 2.2379 2.5012 2.5012 4.3150 4.3150 5.1992 5.1992 6.5059 6.5059 7.9207 7.9207 8.9358 8.9358 9.8778 9.8778 10.6779 10.6779 12.4873 12.4873 13.7385 13.7385 14.2119 14.2119 k =-0.5000 0.4376 0.1865 ( 1814 PWs) bands (ev): -11.2245 -11.2245 -7.9168 -7.9168 -5.3614 -5.3614 -3.8589 -3.8589 -3.2477 -3.2477 -1.9491 -1.9491 -0.0068 -0.0068 0.3486 0.3486 2.1400 2.1400 2.5161 2.5161 4.1947 4.1947 5.2111 5.2111 6.4734 6.4734 7.9773 7.9773 9.0072 9.0072 9.8554 9.8554 10.6695 10.6695 12.5212 12.5212 13.7765 13.7765 14.2485 14.2485 k =-0.5000 0.4376 0.1748 ( 1810 PWs) bands (ev): -11.2511 -11.2511 -7.8275 -7.8275 -5.3874 -5.3874 -3.8833 -3.8833 -3.3528 -3.3528 -1.8554 -1.8554 0.0946 0.0946 0.3400 0.3400 2.0405 2.0405 2.5367 2.5367 4.0727 4.0727 5.2169 5.2169 6.4429 6.4429 8.0345 8.0345 9.0772 9.0772 9.8337 9.8337 10.6596 10.6596 12.5548 12.5548 13.8112 13.8112 14.2953 14.2953 k =-0.5000 0.4376 0.1632 ( 1810 PWs) bands (ev): -11.2762 -11.2762 -7.7381 -7.7381 -5.4121 -5.4121 -3.9065 -3.9065 -3.4575 -3.4575 -1.7608 -1.7608 0.1978 0.1978 0.3291 0.3291 1.9398 1.9398 2.5623 2.5623 3.9494 3.9494 5.2173 5.2173 6.4141 6.4141 8.0913 8.0913 9.1453 9.1453 9.8131 9.8131 10.6484 10.6484 12.5877 12.5877 13.8424 13.8424 14.3521 14.3521 k =-0.5000 0.4376 0.1515 ( 1814 PWs) bands (ev): -11.2999 -11.2999 -7.6490 -7.6490 -5.4354 -5.4354 -3.9284 -3.9284 -3.5613 -3.5613 -1.6658 -1.6658 0.3026 0.3026 0.3165 0.3165 1.8386 1.8386 2.5919 2.5919 3.8252 3.8252 5.2129 5.2129 6.3872 6.3872 8.1472 8.1472 9.2114 9.2114 9.7935 9.7935 10.6363 10.6363 12.6196 12.6196 13.8703 13.8703 14.4187 14.4187 k =-0.5000 0.4376 0.1399 ( 1812 PWs) bands (ev): -11.3220 -11.3220 -7.5609 -7.5609 -5.4571 -5.4571 -3.9489 -3.9489 -3.6635 -3.6635 -1.5708 -1.5708 0.3026 0.3026 0.4088 0.4088 1.7371 1.7371 2.6245 2.6245 3.7006 3.7006 5.2045 5.2045 6.3622 6.3622 8.2014 8.2014 9.2749 9.2749 9.7751 9.7751 10.6236 10.6236 12.6504 12.6504 13.8951 13.8951 14.4951 14.4951 k =-0.5000 0.4376 0.1282 ( 1816 PWs) bands (ev): -11.3425 -11.3425 -7.4741 -7.4741 -5.4773 -5.4773 -3.9680 -3.9680 -3.7635 -3.7635 -1.4762 -1.4762 0.2880 0.2880 0.5160 0.5160 1.6361 1.6361 2.6591 2.6591 3.5760 3.5760 5.1929 5.1929 6.3392 6.3392 8.2532 8.2532 9.3356 9.3356 9.7579 9.7579 10.6105 10.6105 12.6797 12.6797 13.9166 13.9166 14.5805 14.5805 k =-0.5000 0.4376 0.1166 ( 1814 PWs) bands (ev): -11.3614 -11.3614 -7.3894 -7.3894 -5.4959 -5.4959 -3.9857 -3.9857 -3.8605 -3.8605 -1.3826 -1.3826 0.2734 0.2734 0.6237 0.6237 1.5364 1.5364 2.6948 2.6948 3.4520 3.4520 5.1787 5.1787 6.3182 6.3182 8.3022 8.3022 9.3930 9.3930 9.7421 9.7421 10.5975 10.5975 12.7074 12.7074 13.9354 13.9354 14.5426 14.5426 k =-0.5000 0.4376 0.1049 ( 1814 PWs) bands (ev): -11.3785 -11.3785 -7.3075 -7.3075 -5.5128 -5.5128 -4.0018 -4.0018 -3.9538 -3.9538 -1.2907 -1.2907 0.2589 0.2589 0.7315 0.7315 1.4385 1.4385 2.7306 2.7306 3.3291 3.3291 5.1628 5.1628 6.2991 6.2991 8.3477 8.3477 9.4467 9.4467 9.7275 9.7275 10.5848 10.5848 12.7333 12.7333 13.9517 13.9517 14.4737 14.4737 k =-0.5000 0.4376 0.0932 ( 1810 PWs) bands (ev): -11.3940 -11.3940 -7.2294 -7.2294 -5.5280 -5.5280 -4.0424 -4.0424 -4.0163 -4.0163 -1.2013 -1.2013 0.2452 0.2452 0.8388 0.8388 1.3436 1.3436 2.7657 2.7657 3.2082 3.2082 5.1459 5.1459 6.2820 6.2820 8.3894 8.3894 9.4963 9.4963 9.7145 9.7145 10.5728 10.5728 12.7570 12.7570 13.9656 13.9656 14.4104 14.4104 k =-0.5000 0.4376 0.0816 ( 1810 PWs) bands (ev): -11.4077 -11.4077 -7.1559 -7.1559 -5.5415 -5.5415 -4.1252 -4.1252 -4.0292 -4.0292 -1.1155 -1.1155 0.2323 0.2323 0.9445 0.9445 1.2527 1.2527 2.7991 2.7991 3.0901 3.0901 5.1288 5.1288 6.2668 6.2668 8.4268 8.4268 9.5413 9.5413 9.7028 9.7028 10.5616 10.5616 12.7785 12.7785 13.9772 13.9772 14.3533 14.3533 k =-0.5000 0.4376 0.0699 ( 1806 PWs) bands (ev): -11.4196 -11.4196 -7.0882 -7.0882 -5.5532 -5.5532 -4.2011 -4.2011 -4.0404 -4.0404 -1.0346 -1.0346 0.2207 0.2207 1.0475 1.0475 1.1673 1.1673 2.8301 2.8301 2.9763 2.9763 5.1121 5.1121 6.2538 6.2538 8.4598 8.4598 9.5815 9.5815 9.6926 9.6926 10.5515 10.5515 12.7975 12.7975 13.9871 13.9871 14.3029 14.3029 k =-0.5000 0.4376 0.0583 ( 1810 PWs) bands (ev): -11.4297 -11.4297 -7.0276 -7.0276 -5.5632 -5.5632 -4.2687 -4.2687 -4.0499 -4.0499 -0.9603 -0.9603 0.2106 0.2106 1.0890 1.0890 1.1460 1.1460 2.8578 2.8578 2.8686 2.8686 5.0965 5.0965 6.2427 6.2427 8.4880 8.4880 9.6162 9.6162 9.6839 9.6839 10.5427 10.5427 12.8139 12.8139 13.9949 13.9949 14.2593 14.2593 k =-0.5000 0.4376 0.0466 ( 1806 PWs) bands (ev): -11.4380 -11.4380 -6.9755 -6.9755 -5.5714 -5.5714 -4.3267 -4.3267 -4.0578 -4.0578 -0.8945 -0.8945 0.2021 0.2021 1.0199 1.0199 1.2374 1.2374 2.7695 2.7695 2.8817 2.8817 5.0828 5.0828 6.2336 6.2336 8.5114 8.5114 9.6451 9.6451 9.6768 9.6768 10.5353 10.5353 12.8275 12.8275 14.0012 14.0012 14.2230 14.2230 k =-0.5000 0.4376 0.0350 ( 1806 PWs) bands (ev): -11.4444 -11.4444 -6.9330 -6.9330 -5.5778 -5.5778 -4.3737 -4.3737 -4.0639 -4.0639 -0.8396 -0.8396 0.1953 0.1953 0.9623 0.9623 1.3180 1.3180 2.6829 2.6829 2.9009 2.9009 5.0714 5.0714 6.2265 6.2265 8.5296 8.5296 9.6679 9.6679 9.6714 9.6714 10.5295 10.5295 12.8382 12.8382 14.0059 14.0059 14.1942 14.1942 k =-0.5000 0.4376 0.0233 ( 1804 PWs) bands (ev): -11.4491 -11.4491 -6.9016 -6.9016 -5.5824 -5.5824 -4.4084 -4.4084 -4.0683 -4.0683 -0.7979 -0.7979 0.1903 0.1903 0.9188 0.9188 1.3828 1.3828 2.6139 2.6139 2.9151 2.9151 5.0629 5.0629 6.2215 6.2215 8.5427 8.5427 9.6672 9.6672 9.6848 9.6848 10.5253 10.5253 12.8459 12.8459 14.0093 14.0093 14.1736 14.1736 k =-0.5000 0.4376 0.0117 ( 1800 PWs) bands (ev): -11.4518 -11.4518 -6.8823 -6.8823 -5.5851 -5.5851 -4.4297 -4.4297 -4.0709 -4.0709 -0.7718 -0.7718 0.1874 0.1874 0.8915 0.8915 1.4255 1.4255 2.5686 2.5686 2.9237 2.9237 5.0577 5.0577 6.2185 6.2185 8.5506 8.5506 9.6649 9.6649 9.6948 9.6948 10.5228 10.5228 12.8507 12.8507 14.0113 14.0113 14.1612 14.1612 k =-0.5000 0.4376 0.0000 ( 1804 PWs) bands (ev): -11.4528 -11.4528 -6.8758 -6.8758 -5.5860 -5.5860 -4.4369 -4.4369 -4.0718 -4.0718 -0.7629 -0.7629 0.1864 0.1864 0.8821 0.8821 1.4405 1.4405 2.5526 2.5526 2.9266 2.9266 5.0559 5.0559 6.2175 6.2175 8.5532 8.5532 9.6641 9.6641 9.6981 9.6981 10.5219 10.5219 12.8522 12.8522 14.0119 14.0119 14.1570 14.1570 k = 0.0000 0.0000 0.4196 ( 1780 PWs) bands (ev): -11.3484 -11.3484 -10.0328 -10.0328 -3.5682 -3.5682 -1.7691 -1.7691 -1.4078 -1.4078 -1.1247 -1.1247 0.0538 0.0538 1.4609 1.4609 2.9425 2.9425 3.0430 3.0430 3.3876 3.3876 3.7926 3.7926 4.1586 4.1586 7.6317 7.6317 8.3241 8.3241 8.4157 8.4157 8.9089 8.9089 10.0038 10.0038 10.9220 10.9220 10.9276 10.9276 k =-0.0088 0.0077 0.4196 ( 1776 PWs) bands (ev): -11.3480 -11.3480 -10.0322 -10.0322 -3.5695 -3.5695 -1.7696 -1.7696 -1.4099 -1.4099 -1.1290 -1.1290 0.0542 0.0542 1.4664 1.4664 2.9353 2.9353 3.0454 3.0454 3.3913 3.3913 3.7929 3.7929 4.1663 4.1663 7.6307 7.6307 8.3121 8.3121 8.3766 8.3766 8.9492 8.9492 10.0040 10.0040 10.9259 10.9259 10.9371 10.9371 k =-0.0175 0.0154 0.4196 ( 1776 PWs) bands (ev): -11.3466 -11.3466 -10.0304 -10.0304 -3.5735 -3.5735 -1.7713 -1.7713 -1.4164 -1.4164 -1.1418 -1.1418 0.0552 0.0552 1.4830 1.4830 2.9145 2.9145 3.0526 3.0526 3.4021 3.4021 3.7936 3.7936 4.1887 4.1887 7.6276 7.6276 8.2768 8.2768 8.2836 8.2836 9.0460 9.0460 10.0046 10.0046 10.9290 10.9290 10.9738 10.9738 k =-0.0263 0.0230 0.4196 ( 1780 PWs) bands (ev): -11.3445 -11.3445 -10.0274 -10.0274 -3.5801 -3.5801 -1.7741 -1.7741 -1.4270 -1.4270 -1.1628 -1.1628 0.0567 0.0567 1.5103 1.5103 2.8814 2.8814 3.0646 3.0646 3.4202 3.4202 3.7949 3.7949 4.2242 4.2242 7.6222 7.6222 8.1679 8.1679 8.2203 8.2203 9.1681 9.1681 10.0056 10.0056 10.9332 10.9332 11.0335 11.0335 k =-0.0351 0.0307 0.4196 ( 1772 PWs) bands (ev): -11.3414 -11.3414 -10.0233 -10.0233 -3.5894 -3.5894 -1.7779 -1.7779 -1.4418 -1.4418 -1.1914 -1.1914 0.0588 0.0588 1.5477 1.5477 2.8380 2.8380 3.0811 3.0811 3.4453 3.4453 3.7969 3.7969 4.2709 4.2709 7.6148 7.6148 8.0442 8.0442 8.1457 8.1457 9.3010 9.3010 10.0070 10.0070 10.9391 10.9391 11.1130 11.1130 k =-0.0439 0.0384 0.4196 ( 1772 PWs) bands (ev): -11.3374 -11.3374 -10.0179 -10.0179 -3.6012 -3.6012 -1.7828 -1.7828 -1.4605 -1.4605 -1.2268 -1.2268 0.0613 0.0613 1.5947 1.5947 2.7863 2.7863 3.1018 3.1018 3.4772 3.4772 3.7997 3.7997 4.3261 4.3261 7.6043 7.6043 7.9186 7.9186 8.0565 8.0565 9.4390 9.4390 10.0087 10.0087 10.9467 10.9467 11.2091 11.2091 k =-0.0526 0.0461 0.4196 ( 1768 PWs) bands (ev): -11.3326 -11.3326 -10.0114 -10.0114 -3.6154 -3.6154 -1.7888 -1.7888 -1.4829 -1.4829 -1.2684 -1.2684 0.0642 0.0642 1.6505 1.6505 2.7280 2.7280 3.1266 3.1266 3.5158 3.5158 3.8036 3.8036 4.3879 4.3879 7.5902 7.5902 7.7941 7.7941 7.9565 7.9565 9.5793 9.5793 10.0109 10.0109 10.9560 10.9560 11.3189 11.3189 k =-0.0614 0.0537 0.4196 ( 1772 PWs) bands (ev): -11.3270 -11.3270 -10.0037 -10.0037 -3.6320 -3.6320 -1.7958 -1.7958 -1.5089 -1.5089 -1.3152 -1.3152 0.0671 0.0671 1.7143 1.7143 2.6646 2.6646 3.1548 3.1548 3.5608 3.5608 3.8087 3.8087 4.4539 4.4539 7.5699 7.5699 7.6727 7.6727 7.8509 7.8509 9.7203 9.7203 10.0134 10.0134 10.9669 10.9669 11.4395 11.4395 k =-0.0702 0.0614 0.4196 ( 1780 PWs) bands (ev): -11.3205 -11.3205 -9.9949 -9.9949 -3.6509 -3.6509 -1.8037 -1.8037 -1.5382 -1.5382 -1.3665 -1.3665 0.0703 0.0703 1.7854 1.7854 2.5974 2.5974 3.1861 3.1861 3.6119 3.6119 3.8158 3.8158 4.5225 4.5225 7.5375 7.5375 7.5560 7.5560 7.7481 7.7481 9.8612 9.8612 10.0163 10.0163 10.9793 10.9793 11.5687 11.5687 k =-0.0789 0.0691 0.4196 ( 1780 PWs) bands (ev): -11.3132 -11.3132 -9.9849 -9.9849 -3.6718 -3.6718 -1.8125 -1.8125 -1.5706 -1.5706 -1.4215 -1.4215 0.0736 0.0736 1.8632 1.8632 2.5273 2.5273 3.2198 3.2198 3.6690 3.6690 3.8251 3.8251 4.5917 4.5917 7.4452 7.4452 7.4787 7.4787 7.6649 7.6649 10.0012 10.0012 10.0199 10.0199 10.9934 10.9934 11.7045 11.7045 k =-0.0877 0.0768 0.4196 ( 1782 PWs) bands (ev): -11.3051 -11.3051 -9.9738 -9.9738 -3.6948 -3.6948 -1.8222 -1.8222 -1.6057 -1.6057 -1.4795 -1.4795 0.0768 0.0768 1.9467 1.9467 2.4548 2.4548 3.2549 3.2549 3.7316 3.7316 3.8376 3.8376 4.6598 4.6598 7.3421 7.3421 7.3827 7.3827 7.6128 7.6128 10.0233 10.0233 10.1404 10.1404 11.0090 11.0090 11.8453 11.8453 k =-0.0965 0.0844 0.4196 ( 1782 PWs) bands (ev): -11.2962 -11.2962 -9.9617 -9.9617 -3.7196 -3.7196 -1.8327 -1.8327 -1.6432 -1.6432 -1.5400 -1.5400 0.0801 0.0801 2.0354 2.0354 2.3805 2.3805 3.2904 3.2904 3.7994 3.7994 3.8539 3.8539 4.7251 4.7251 7.2482 7.2482 7.2630 7.2630 7.5802 7.5802 10.0275 10.0275 10.2775 10.2775 11.0261 11.0261 11.9898 11.9898 k =-0.1053 0.0921 0.4196 ( 1786 PWs) bands (ev): -11.2866 -11.2866 -9.9485 -9.9485 -3.7462 -3.7462 -1.8439 -1.8439 -1.6831 -1.6831 -1.6023 -1.6023 0.0834 0.0834 2.1287 2.1287 2.3047 2.3047 3.3253 3.3253 3.8718 3.8718 3.8755 3.8755 4.7856 4.7856 7.1326 7.1326 7.1651 7.1651 7.5550 7.5550 10.0321 10.0321 10.4126 10.4126 11.0447 11.0447 12.1369 12.1369 k =-0.1140 0.0998 0.4196 ( 1782 PWs) bands (ev): -11.2762 -11.2762 -9.9342 -9.9342 -3.7743 -3.7743 -1.8558 -1.8558 -1.7248 -1.7248 -1.6660 -1.6660 0.0866 0.0866 2.2257 2.2257 2.2280 2.2280 3.3582 3.3582 3.9023 3.9023 3.9498 3.9498 4.8394 4.8394 6.9973 6.9973 7.0947 7.0947 7.5325 7.5325 10.0372 10.0372 10.5455 10.5455 11.0648 11.0648 12.2857 12.2857 k =-0.1228 0.1075 0.4196 ( 1782 PWs) bands (ev): -11.2650 -11.2650 -9.9189 -9.9189 -3.8038 -3.8038 -1.8682 -1.8682 -1.7683 -1.7683 -1.7307 -1.7307 0.0897 0.0897 2.1495 2.1495 2.3269 2.3269 3.3881 3.3881 3.9364 3.9364 4.0316 4.0316 4.8846 4.8846 6.8596 6.8596 7.0389 7.0389 7.5108 7.5108 10.0425 10.0425 10.6755 10.6755 11.0862 11.0862 12.4354 12.4354 k =-0.1316 0.1151 0.4196 ( 1782 PWs) bands (ev): -11.2532 -11.2532 -9.9027 -9.9027 -3.8346 -3.8346 -1.8812 -1.8812 -1.8132 -1.8132 -1.7960 -1.7960 0.0928 0.0928 2.0702 2.0702 2.4308 2.4308 3.4139 3.4139 3.9781 3.9781 4.1174 4.1174 4.9196 4.9196 6.7210 6.7210 6.9994 6.9994 7.4893 7.4893 10.0483 10.0483 10.8026 10.8026 11.1090 11.1090 12.5853 12.5853 k =-0.1404 0.1228 0.4196 ( 1782 PWs) bands (ev): -11.2407 -11.2407 -9.8855 -9.8855 -3.8666 -3.8666 -1.8946 -1.8946 -1.8616 -1.8616 -1.8592 -1.8592 0.0957 0.0957 1.9900 1.9900 2.5373 2.5373 3.4353 3.4353 4.0278 4.0278 4.2069 4.2069 4.9427 4.9427 6.5823 6.5823 6.9776 6.9776 7.4676 7.4676 10.0545 10.0545 10.9266 10.9266 11.1331 11.1331 12.7348 12.7348 k =-0.1491 0.1305 0.4196 ( 1778 PWs) bands (ev): -11.2276 -11.2276 -9.8674 -9.8674 -3.8994 -3.8994 -1.9272 -1.9272 -1.9083 -1.9083 -1.9062 -1.9062 0.0985 0.0985 1.9089 1.9089 2.6461 2.6461 3.4522 3.4522 4.0853 4.0853 4.2998 4.2998 4.9534 4.9534 6.4442 6.4442 6.9743 6.9743 7.4459 7.4459 10.0611 10.0611 11.0473 11.0473 11.1584 11.1584 12.8835 12.8835 k =-0.1579 0.1382 0.4196 ( 1778 PWs) bands (ev): -11.2139 -11.2139 -9.8484 -9.8484 -3.9332 -3.9332 -1.9925 -1.9925 -1.9540 -1.9540 -1.9222 -1.9222 0.1011 0.1011 1.8267 1.8267 2.7569 2.7569 3.4648 3.4648 4.1500 4.1500 4.3959 4.3959 4.9515 4.9515 6.3072 6.3072 6.9896 6.9896 7.4239 7.4239 10.0680 10.0680 11.1643 11.1643 11.1849 11.1849 13.0306 13.0306 k =-0.1667 0.1459 0.4196 ( 1782 PWs) bands (ev): -11.1996 -11.1996 -9.8286 -9.8286 -3.9676 -3.9676 -2.0575 -2.0575 -2.0022 -2.0022 -1.9363 -1.9363 0.1034 0.1034 1.7434 1.7434 2.8691 2.8691 3.4738 3.4738 4.2213 4.2213 4.4948 4.4948 4.9377 4.9377 6.1716 6.1716 7.0226 7.0226 7.4018 7.4018 10.0752 10.0752 11.2124 11.2124 11.2776 11.2776 13.1756 13.1756 k =-0.1754 0.1535 0.4196 ( 1782 PWs) bands (ev): -11.1848 -11.1848 -9.8081 -9.8081 -4.0025 -4.0025 -2.1219 -2.1219 -2.0509 -2.0509 -1.9504 -1.9504 0.1056 0.1056 1.6592 1.6592 2.9827 2.9827 3.4796 3.4796 4.2985 4.2985 4.5963 4.5963 4.9137 4.9137 6.0380 6.0380 7.0720 7.0720 7.3796 7.3796 10.0828 10.0828 11.2410 11.2410 11.3870 11.3870 13.3185 13.3185 k =-0.1842 0.1612 0.4196 ( 1786 PWs) bands (ev): -11.1695 -11.1695 -9.7868 -9.7868 -4.0379 -4.0379 -2.1854 -2.1854 -2.0996 -2.0996 -1.9645 -1.9645 0.1075 0.1075 1.5740 1.5740 3.0970 3.0970 3.4828 3.4828 4.3806 4.3806 4.7001 4.7001 4.8810 4.8810 5.9065 5.9065 7.1360 7.1360 7.3574 7.3574 10.0907 10.0907 11.2705 11.2705 11.4924 11.4924 13.4584 13.4584 k =-0.1930 0.1689 0.4196 ( 1786 PWs) bands (ev): -11.1537 -11.1537 -9.7648 -9.7648 -4.0735 -4.0735 -2.2481 -2.2481 -2.1484 -2.1484 -1.9784 -1.9784 0.1092 0.1092 1.4877 1.4877 3.2120 3.2120 3.4839 3.4839 4.4673 4.4673 4.8060 4.8060 4.8415 4.8415 5.7776 5.7776 7.2127 7.2127 7.3355 7.3355 10.0988 10.0988 11.3008 11.3008 11.5938 11.5938 13.5953 13.5953 k =-0.2018 0.1766 0.4196 ( 1790 PWs) bands (ev): -11.1375 -11.1375 -9.7421 -9.7421 -4.1093 -4.1093 -2.3098 -2.3098 -2.1970 -2.1970 -1.9920 -1.9920 0.1105 0.1105 1.4003 1.4003 3.3271 3.3271 3.4832 3.4832 4.5578 4.5578 4.7972 4.7972 4.9137 4.9137 5.6516 5.6516 7.2997 7.2997 7.3142 7.3142 10.1071 10.1071 11.3320 11.3320 11.6909 11.6909 13.7285 13.7285 k =-0.2105 0.1842 0.4196 ( 1786 PWs) bands (ev): -11.1210 -11.1210 -9.7189 -9.7189 -4.1451 -4.1451 -2.3703 -2.3703 -2.2453 -2.2453 -2.0052 -2.0052 0.1115 0.1115 1.3118 1.3118 3.4420 3.4420 3.4811 3.4811 4.6517 4.6517 4.7496 4.7496 5.0230 5.0230 5.5287 5.5287 7.2924 7.2924 7.3967 7.3967 10.1157 10.1157 11.3637 11.3637 11.7839 11.7839 13.8578 13.8578 k =-0.2193 0.1919 0.4196 ( 1782 PWs) bands (ev): -11.1040 -11.1040 -9.6952 -9.6952 -4.1808 -4.1808 -2.4295 -2.4295 -2.2931 -2.2931 -2.0180 -2.0180 0.1121 0.1121 1.2224 1.2224 3.4779 3.4779 3.5563 3.5563 4.7000 4.7000 4.7485 4.7485 5.1337 5.1337 5.4092 5.4092 7.2718 7.2718 7.5006 7.5006 10.1245 10.1245 11.3961 11.3961 11.8727 11.8727 13.9826 13.9826 k =-0.2281 0.1996 0.4196 ( 1782 PWs) bands (ev): -11.0869 -11.0869 -9.6710 -9.6710 -4.2164 -4.2164 -2.4875 -2.4875 -2.3404 -2.3404 -2.0302 -2.0302 0.1123 0.1123 1.1319 1.1319 3.4737 3.4737 3.6693 3.6693 4.6498 4.6498 4.8475 4.8475 5.2453 5.2453 5.2938 5.2938 7.2519 7.2519 7.6107 7.6107 10.1332 10.1332 11.4288 11.4288 11.9572 11.9572 14.1026 14.1026 k =-0.2368 0.2073 0.4196 ( 1778 PWs) bands (ev): -11.0694 -11.0694 -9.6464 -9.6464 -4.2517 -4.2517 -2.5441 -2.5441 -2.3870 -2.3870 -2.0416 -2.0416 0.1122 0.1122 1.0406 1.0406 3.4687 3.4687 3.7806 3.7806 4.5998 4.5998 4.9486 4.9486 5.1826 5.1826 5.3579 5.3579 7.2329 7.2329 7.7259 7.7259 10.1420 10.1420 11.4620 11.4620 12.0375 12.0375 14.2173 14.2173 k =-0.2456 0.2149 0.4196 ( 1778 PWs) bands (ev): -11.0518 -11.0518 -9.6215 -9.6215 -4.2866 -4.2866 -2.5992 -2.5992 -2.4328 -2.4328 -2.0523 -2.0523 0.1115 0.1115 0.9484 0.9484 3.4631 3.4631 3.8889 3.8889 4.5505 4.5505 5.0514 5.0514 5.0768 5.0768 5.4710 5.4710 7.2149 7.2149 7.8453 7.8453 10.1509 10.1509 11.4953 11.4953 12.1137 12.1137 14.3263 14.3263 k =-0.2544 0.2226 0.4196 ( 1786 PWs) bands (ev): -11.0341 -11.0341 -9.5963 -9.5963 -4.3211 -4.3211 -2.6529 -2.6529 -2.4778 -2.4778 -2.0620 -2.0620 0.1104 0.1104 0.8553 0.8553 3.4571 3.4571 3.9929 3.9929 4.5025 4.5025 4.9774 4.9774 5.1556 5.1556 5.5845 5.5845 7.1980 7.1980 7.9680 7.9680 10.1596 10.1596 11.5287 11.5287 12.1858 12.1858 14.4292 14.4292 k =-0.2632 0.2303 0.4196 ( 1790 PWs) bands (ev): -11.0163 -11.0163 -9.5710 -9.5710 -4.3549 -4.3549 -2.7049 -2.7049 -2.5217 -2.5217 -2.0708 -2.0708 0.1087 0.1087 0.7618 0.7618 3.4506 3.4506 4.0902 4.0902 4.4564 4.4564 4.8868 4.8868 5.2608 5.2608 5.6981 5.6981 7.1826 7.1826 8.0933 8.0933 10.1683 10.1683 11.5621 11.5621 12.2539 12.2539 14.5256 14.5256 k =-0.2719 0.2380 0.4196 ( 1790 PWs) bands (ev): -10.9985 -10.9985 -9.5455 -9.5455 -4.3882 -4.3882 -2.7554 -2.7554 -2.5647 -2.5647 -2.0784 -2.0784 0.1066 0.1066 0.6677 0.6677 3.4439 3.4439 4.1763 4.1763 4.4123 4.4123 4.8093 4.8093 5.3667 5.3667 5.8116 5.8116 7.1688 7.1688 8.2207 8.2207 10.1767 10.1767 11.5953 11.5953 12.3181 12.3181 14.6152 14.6152 k =-0.2807 0.2456 0.4196 ( 1788 PWs) bands (ev): -10.9807 -10.9807 -9.5200 -9.5200 -4.4207 -4.4207 -2.8042 -2.8042 -2.6065 -2.6065 -2.0848 -2.0848 0.1039 0.1039 0.5734 0.5734 3.4369 3.4369 4.2424 4.2424 4.3705 4.3705 4.7533 4.7533 5.4730 5.4730 5.9247 5.9247 7.1568 7.1568 8.3496 8.3496 10.1849 10.1849 11.6282 11.6282 12.3785 12.3785 14.6975 14.6975 k =-0.2895 0.2533 0.4196 ( 1792 PWs) bands (ev): -10.9630 -10.9630 -9.4946 -9.4946 -4.4524 -4.4524 -2.8512 -2.8512 -2.6471 -2.6471 -2.0899 -2.0899 0.1007 0.1007 0.4789 0.4789 3.4298 3.4298 4.2756 4.2756 4.3310 4.3310 4.7314 4.7314 5.5794 5.5794 6.0372 6.0372 7.1467 7.1467 8.4794 8.4794 10.1926 10.1926 11.6606 11.6606 12.4352 12.4352 14.7722 14.7722 k =-0.2982 0.2610 0.4196 ( 1796 PWs) bands (ev): -10.9454 -10.9454 -9.4693 -9.4693 -4.4833 -4.4833 -2.8966 -2.8966 -2.6864 -2.6864 -2.0936 -2.0936 0.0970 0.0970 0.3844 0.3844 3.4225 3.4225 4.2683 4.2683 4.2940 4.2940 4.7509 4.7509 5.6856 5.6856 6.1488 6.1488 7.1388 7.1388 8.6097 8.6097 10.2001 10.2001 11.6925 11.6925 12.4883 12.4883 14.8391 14.8391 k =-0.3070 0.2687 0.4196 ( 1796 PWs) bands (ev): -10.9280 -10.9280 -9.4441 -9.4441 -4.5133 -4.5133 -2.9402 -2.9402 -2.7244 -2.7244 -2.0958 -2.0958 0.0929 0.0929 0.2901 0.2901 3.4152 3.4152 4.2295 4.2295 4.2595 4.2595 4.8025 4.8025 5.7913 5.7913 6.2593 6.2593 7.1333 7.1333 8.7401 8.7401 10.2070 10.2070 11.7237 11.7237 12.5382 12.5382 14.8980 14.8980 k =-0.3158 0.2764 0.4196 ( 1784 PWs) bands (ev): -10.9109 -10.9109 -9.4193 -9.4193 -4.5423 -4.5423 -2.9819 -2.9819 -2.7611 -2.7611 -2.0964 -2.0964 0.0882 0.0882 0.1962 0.1962 3.4080 3.4080 4.1743 4.1743 4.2275 4.2275 4.8710 4.8710 5.8962 5.8962 6.3685 6.3685 7.1303 7.1303 8.8701 8.8701 10.2136 10.2136 11.7540 11.7540 12.5849 12.5849 14.9489 14.9489 k =-0.3246 0.2840 0.4196 ( 1784 PWs) bands (ev): -10.8941 -10.8941 -9.3948 -9.3948 -4.5703 -4.5703 -3.0219 -3.0219 -2.7963 -2.7963 -2.0953 -2.0953 0.0832 0.0832 0.1029 0.1029 3.4008 3.4008 4.1124 4.1124 4.1978 4.1978 4.9459 4.9459 5.9999 5.9999 6.4758 6.4758 7.1300 7.1300 8.9992 8.9992 10.2195 10.2195 11.7833 11.7833 12.6285 12.6285 14.9916 14.9916 k =-0.3333 0.2917 0.4196 ( 1780 PWs) bands (ev): -10.8776 -10.8776 -9.3708 -9.3708 -4.5972 -4.5972 -3.0601 -3.0601 -2.8301 -2.8301 -2.0924 -2.0924 0.0103 0.0103 0.0779 0.0779 3.3939 3.3939 4.0488 4.0488 4.1704 4.1704 5.0222 5.0222 6.1022 6.1022 6.5811 6.5811 7.1327 7.1327 9.1271 9.1271 10.2247 10.2247 11.8116 11.8116 12.6691 12.6691 15.0267 15.0267 k =-0.3421 0.2994 0.4196 ( 1776 PWs) bands (ev): -10.8616 -10.8616 -9.3474 -9.3474 -4.6229 -4.6229 -3.0964 -3.0964 -2.8623 -2.8623 -2.0877 -2.0877 -0.0813 -0.0813 0.0721 0.0721 3.3870 3.3870 3.9858 3.9858 4.1452 4.1452 5.0970 5.0970 6.2026 6.2026 6.6840 6.6840 7.1382 7.1382 9.2531 9.2531 10.2293 10.2293 11.8387 11.8387 12.7069 12.7069 15.0450 15.0450 k =-0.3509 0.3071 0.4196 ( 1774 PWs) bands (ev): -10.8460 -10.8460 -9.3246 -9.3246 -4.6475 -4.6475 -3.1308 -3.1308 -2.8930 -2.8930 -2.0812 -2.0812 -0.1717 -0.1717 0.0660 0.0660 3.3803 3.3803 3.9249 3.9249 4.1222 4.1222 5.1687 5.1687 6.3009 6.3009 6.7843 6.7843 7.1466 7.1466 9.3771 9.3771 10.2331 10.2331 11.8643 11.8643 12.7422 12.7422 15.0022 15.0022 k =-0.3596 0.3147 0.4196 ( 1774 PWs) bands (ev): -10.8310 -10.8310 -9.3025 -9.3025 -4.6709 -4.6709 -3.1633 -3.1633 -2.9221 -2.9221 -2.0727 -2.0727 -0.2607 -0.2607 0.0596 0.0596 3.3738 3.3738 3.8666 3.8666 4.1012 4.1012 5.2364 5.2364 6.3966 6.3966 6.8816 6.8816 7.1580 7.1580 9.4983 9.4983 10.2361 10.2361 11.8885 11.8885 12.7749 12.7749 14.9601 14.9601 k =-0.3684 0.3224 0.4196 ( 1774 PWs) bands (ev): -10.8166 -10.8166 -9.2812 -9.2812 -4.6931 -4.6931 -3.1939 -3.1939 -2.9496 -2.9496 -2.0623 -2.0623 -0.3481 -0.3481 0.0530 0.0530 3.3675 3.3675 3.8116 3.8116 4.0822 4.0822 5.2993 5.2993 6.4894 6.4894 6.9756 6.9756 7.1722 7.1722 9.6164 9.6164 10.2384 10.2384 11.9112 11.9112 12.8051 12.8051 14.9191 14.9191 k =-0.3772 0.3301 0.4196 ( 1778 PWs) bands (ev): -10.8028 -10.8028 -9.2609 -9.2609 -4.7140 -4.7140 -3.2226 -3.2226 -2.9755 -2.9755 -2.0499 -2.0499 -0.4338 -0.4338 0.0463 0.0463 3.3614 3.3614 3.7598 3.7598 4.0649 4.0649 5.3573 5.3573 6.5788 6.5788 7.0660 7.0660 7.1890 7.1890 9.7307 9.7307 10.2400 10.2400 11.9322 11.9322 12.8330 12.8330 14.8795 14.8795 k =-0.3860 0.3378 0.4196 ( 1774 PWs) bands (ev): -10.7897 -10.7897 -9.2415 -9.2415 -4.7336 -4.7336 -3.2494 -3.2494 -2.9996 -2.9996 -2.0355 -2.0355 -0.5173 -0.5173 0.0396 0.0396 3.3557 3.3557 3.7117 3.7117 4.0494 4.0494 5.4101 5.4101 6.6646 6.6646 7.1522 7.1522 7.2082 7.2082 9.8408 9.8408 10.2408 10.2408 11.9517 11.9517 12.8588 12.8588 14.8416 14.8416 k =-0.3947 0.3454 0.4196 ( 1774 PWs) bands (ev): -10.7774 -10.7774 -9.2232 -9.2232 -4.7518 -4.7518 -3.2742 -3.2742 -3.0221 -3.0221 -2.0191 -2.0191 -0.5987 -0.5987 0.0329 0.0329 3.3503 3.3503 3.6671 3.6671 4.0355 4.0355 5.4576 5.4576 6.7463 6.7463 7.2288 7.2288 7.2346 7.2346 9.9462 9.9462 10.2410 10.2410 11.9695 11.9695 12.8825 12.8825 14.8056 14.8056 k =-0.4035 0.3531 0.4196 ( 1770 PWs) bands (ev): -10.7659 -10.7659 -9.2060 -9.2060 -4.7687 -4.7687 -3.2971 -3.2971 -3.0429 -3.0429 -2.0008 -2.0008 -0.6775 -0.6775 0.0264 0.0264 3.3453 3.3453 3.6261 3.6261 4.0233 4.0233 5.5001 5.5001 6.8236 6.8236 7.2516 7.2516 7.3114 7.3114 10.0463 10.0463 10.2405 10.2405 11.9856 11.9856 12.9041 12.9041 14.7716 14.7716 k =-0.4123 0.3608 0.4196 ( 1774 PWs) bands (ev): -10.7552 -10.7552 -9.1900 -9.1900 -4.7842 -4.7842 -3.3180 -3.3180 -3.0619 -3.0619 -1.9807 -1.9807 -0.7535 -0.7535 0.0201 0.0201 3.3406 3.3406 3.5889 3.5889 4.0123 4.0123 5.5374 5.5374 6.8958 6.8958 7.2750 7.2750 7.3835 7.3835 10.1404 10.1404 10.2394 10.2394 12.0001 12.0001 12.9238 12.9238 14.7398 14.7398 k =-0.4211 0.3685 0.4196 ( 1774 PWs) bands (ev): -10.7454 -10.7454 -9.1753 -9.1753 -4.7982 -4.7982 -3.3369 -3.3369 -3.0791 -3.0791 -1.9589 -1.9589 -0.8264 -0.8264 0.0141 0.0141 3.3363 3.3363 3.5553 3.5553 4.0026 4.0026 5.5699 5.5699 6.9629 6.9629 7.2986 7.2986 7.4500 7.4500 10.2279 10.2279 10.2379 10.2379 12.0129 12.0129 12.9414 12.9414 14.7104 14.7104 k =-0.4298 0.3761 0.4196 ( 1774 PWs) bands (ev): -10.7365 -10.7365 -9.1620 -9.1620 -4.8108 -4.8108 -3.3539 -3.3539 -3.0946 -3.0946 -1.9358 -1.9358 -0.8958 -0.8958 0.0085 0.0085 3.3325 3.3325 3.5253 3.5253 3.9942 3.9942 5.5979 5.5979 7.0243 7.0243 7.3218 7.3218 7.5107 7.5107 10.2361 10.2361 10.3084 10.3084 12.0241 12.0241 12.9572 12.9572 14.6836 14.6836 k =-0.4386 0.3838 0.4196 ( 1778 PWs) bands (ev): -10.7285 -10.7285 -9.1501 -9.1501 -4.8221 -4.8221 -3.3689 -3.3689 -3.1083 -3.1083 -1.9115 -1.9115 -0.9612 -0.9612 0.0033 0.0033 3.3291 3.3291 3.4990 3.4990 3.9869 3.9869 5.6217 5.6217 7.0794 7.0794 7.3441 7.3441 7.5653 7.5653 10.2340 10.2340 10.3810 10.3810 12.0337 12.0337 12.9711 12.9711 14.6596 14.6596 k =-0.4474 0.3915 0.4196 ( 1776 PWs) bands (ev): -10.7216 -10.7216 -9.1396 -9.1396 -4.8318 -4.8318 -3.3819 -3.3819 -3.1202 -3.1202 -1.8867 -1.8867 -1.0219 -1.0219 -0.0014 -0.0014 3.3260 3.3260 3.4762 3.4762 3.9808 3.9808 5.6416 5.6416 7.1282 7.1282 7.3649 7.3649 7.6133 7.6133 10.2319 10.2319 10.4454 10.4454 12.0418 12.0418 12.9832 12.9832 14.6384 14.6384 k =-0.4561 0.3992 0.4196 ( 1776 PWs) bands (ev): -10.7156 -10.7156 -9.1307 -9.1307 -4.8400 -4.8400 -3.3929 -3.3929 -3.1303 -3.1303 -1.8620 -1.8620 -1.0771 -1.0771 -0.0054 -0.0054 3.3235 3.3235 3.4570 3.4570 3.9757 3.9757 5.6579 5.6579 7.1701 7.1701 7.3835 7.3835 7.6545 7.6545 10.2298 10.2298 10.5010 10.5010 12.0485 12.0485 12.9935 12.9935 14.6203 14.6203 k =-0.4649 0.4069 0.4196 ( 1778 PWs) bands (ev): -10.7108 -10.7108 -9.1234 -9.1234 -4.8468 -4.8468 -3.4019 -3.4019 -3.1386 -3.1386 -1.8384 -1.8384 -1.1259 -1.1259 -0.0088 -0.0088 3.3214 3.3214 3.4414 3.4414 3.9716 3.9716 5.6708 5.6708 7.2049 7.2049 7.3994 7.3994 7.6886 7.6886 10.2278 10.2278 10.5470 10.5470 12.0539 12.0539 13.0019 13.0019 14.6052 14.6052 k =-0.4737 0.4145 0.4196 ( 1778 PWs) bands (ev): -10.7070 -10.7070 -9.1176 -9.1176 -4.8521 -4.8521 -3.4089 -3.4089 -3.1450 -3.1450 -1.8172 -1.8172 -1.1666 -1.1666 -0.0116 -0.0116 3.3197 3.3197 3.4293 3.4293 3.9684 3.9684 5.6806 5.6806 7.2322 7.2322 7.4123 7.4123 7.7154 7.7154 10.2262 10.2262 10.5834 10.5834 12.0580 12.0580 13.0084 13.0084 14.5934 14.5934 k =-0.4825 0.4222 0.4196 ( 1774 PWs) bands (ev): -10.7042 -10.7042 -9.1134 -9.1134 -4.8558 -4.8558 -3.4139 -3.4139 -3.1496 -3.1496 -1.8001 -1.8001 -1.1978 -1.1978 -0.0135 -0.0135 3.3185 3.3185 3.4206 3.4206 3.9662 3.9662 5.6875 5.6875 7.2520 7.2520 7.4218 7.4218 7.7346 7.7346 10.2250 10.2250 10.6097 10.6097 12.0609 12.0609 13.0131 13.0131 14.5850 14.5850 k =-0.4912 0.4299 0.4196 ( 1766 PWs) bands (ev): -10.7025 -10.7025 -9.1109 -9.1109 -4.8581 -4.8581 -3.4169 -3.4169 -3.1523 -3.1523 -1.7889 -1.7889 -1.2174 -1.2174 -0.0147 -0.0147 3.3178 3.3178 3.4154 3.4154 3.9649 3.9649 5.6916 5.6916 7.2639 7.2639 7.4276 7.4276 7.7464 7.7464 10.2242 10.2242 10.6258 10.6258 12.0626 12.0626 13.0160 13.0160 14.5799 14.5799 k =-0.5000 0.4376 0.4196 ( 1768 PWs) bands (ev): -10.7020 -10.7020 -9.1101 -9.1101 -4.8588 -4.8588 -3.4179 -3.4179 -3.1532 -3.1532 -1.7850 -1.7850 -1.2242 -1.2242 -0.0151 -0.0151 3.3176 3.3176 3.4137 3.4137 3.9645 3.9645 5.6929 5.6929 7.2679 7.2679 7.4296 7.4296 7.7503 7.7503 10.2240 10.2240 10.6310 10.6310 12.0631 12.0631 13.0169 13.0169 14.5781 14.5781 Writing output data file C.save init_run : 0.13s CPU 0.24s WALL ( 1 calls) electrons : 84.81s CPU 88.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 84.80s CPU 88.04s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 476 calls) cegterg : 76.55s CPU 78.20s WALL ( 618 calls) Called by sum_band: Called by *egterg: h_psi : 36.52s CPU 37.62s WALL ( 9195 calls) s_psi : 1.84s CPU 2.00s WALL ( 9195 calls) g_psi : 0.10s CPU 0.11s WALL ( 8101 calls) cdiaghg : 37.87s CPU 38.31s WALL ( 8577 calls) cegterg:over : 2.70s CPU 2.76s WALL ( 8101 calls) cegterg:upda : 1.74s CPU 1.76s WALL ( 8101 calls) cegterg:last : 1.20s CPU 1.20s WALL ( 1570 calls) cdiaghg:chol : 2.11s CPU 1.92s WALL ( 8577 calls) cdiaghg:inve : 1.02s CPU 1.01s WALL ( 8577 calls) cdiaghg:para : 2.30s CPU 2.24s WALL ( 17154 calls) Called by h_psi: h_psi:vloc : 31.28s CPU 32.26s WALL ( 9195 calls) h_psi:vnl : 5.16s CPU 5.30s WALL ( 9195 calls) add_vuspsi : 2.14s CPU 2.19s WALL ( 9195 calls) General routines calbec : 2.96s CPU 3.08s WALL ( 9195 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 28.98s CPU 29.78s WALL ( 806808 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.15s WALL ( 952 calls) Parallel routines fft_scatter : 15.99s CPU 16.53s WALL ( 806831 calls) PWSCF : 1m36.91s CPU 2m 7.99s WALL This run was terminated on: 17:14:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=