Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:20:10 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: ./Li2Tl.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 76 76 21 3006 3006 439 Max 77 77 22 3013 3013 444 Sum 2769 2769 767 108391 108391 15877 bravais-lattice index = 14 lattice parameter (alat) = 10.4764 a.u. unit-cell volume = 767.3737 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.476380 celldm(2)= 1.000000 celldm(3)= 0.863297 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.634334 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.634334 0.773059 0.000000 ) a(3) = ( 0.000000 0.000000 0.863297 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.820549 -0.000000 ) b(2) = ( 0.000000 1.293562 -0.000000 ) b(3) = ( 0.000000 0.000000 1.158350 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Tl 13.00 204.38330 Tl( 1.00) Li 3.00 6.94100 Li( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4316486 ) 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 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4316486 ) 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= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0074618 0.0157751 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0149237 0.0315503 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0223855 0.0473254 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0298473 0.0631006 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0373092 0.0788757 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0447710 0.0946508 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0522328 0.1104260 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0596947 0.1262011 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0671565 0.1419763 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0746183 0.1577514 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0820802 0.1735265 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0895420 0.1893017 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0970038 0.2050768 -0.0000000), wk = 0.0026455 k( 15) = ( 0.1044656 0.2208520 -0.0000000), wk = 0.0026455 k( 16) = ( 0.1119275 0.2366271 -0.0000000), wk = 0.0026455 k( 17) = ( 0.1193893 0.2524022 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1268511 0.2681774 -0.0000000), wk = 0.0026455 k( 19) = ( 0.1343130 0.2839525 -0.0000000), wk = 0.0026455 k( 20) = ( 0.1417748 0.2997277 -0.0000000), wk = 0.0026455 k( 21) = ( 0.1492366 0.3155028 -0.0000000), wk = 0.0026455 k( 22) = ( 0.1566985 0.3312780 -0.0000000), wk = 0.0026455 k( 23) = ( 0.1641603 0.3470531 -0.0000000), wk = 0.0026455 k( 24) = ( 0.1716221 0.3628282 -0.0000000), wk = 0.0026455 k( 25) = ( 0.1790840 0.3786034 -0.0000000), wk = 0.0026455 k( 26) = ( 0.1865458 0.3943785 -0.0000000), wk = 0.0026455 k( 27) = ( 0.1940076 0.4101537 -0.0000000), wk = 0.0026455 k( 28) = ( 0.2014695 0.4259288 -0.0000000), wk = 0.0026455 k( 29) = ( 0.2089313 0.4417039 -0.0000000), wk = 0.0026455 k( 30) = ( 0.2163931 0.4574791 -0.0000000), wk = 0.0026455 k( 31) = ( 0.2238549 0.4732542 -0.0000000), wk = 0.0026455 k( 32) = ( 0.2313168 0.4890294 -0.0000000), wk = 0.0026455 k( 33) = ( 0.2387786 0.5048045 -0.0000000), wk = 0.0026455 k( 34) = ( 0.2462404 0.5205796 -0.0000000), wk = 0.0026455 k( 35) = ( 0.2537023 0.5363548 -0.0000000), wk = 0.0026455 k( 36) = ( 0.2611641 0.5521299 -0.0000000), wk = 0.0026455 k( 37) = ( 0.2686260 0.5679051 -0.0000000), wk = 0.0026455 k( 38) = ( 0.2760878 0.5836802 -0.0000000), wk = 0.0026455 k( 39) = ( 0.2835496 0.5994553 -0.0000000), wk = 0.0026455 k( 40) = ( 0.2910114 0.6152305 -0.0000000), wk = 0.0026455 k( 41) = ( 0.2984733 0.6310056 -0.0000000), wk = 0.0026455 k( 42) = ( 0.3059351 0.6467808 -0.0000000), wk = 0.0026455 k( 43) = ( 0.3059351 0.6467808 -0.0000000), wk = 0.0026455 k( 44) = ( 0.2889387 0.6467808 -0.0000000), wk = 0.0026455 k( 45) = ( 0.2719423 0.6467808 -0.0000000), wk = 0.0026455 k( 46) = ( 0.2549459 0.6467807 -0.0000000), wk = 0.0026455 k( 47) = ( 0.2379495 0.6467808 -0.0000000), wk = 0.0026455 k( 48) = ( 0.2209531 0.6467808 -0.0000000), wk = 0.0026455 k( 49) = ( 0.2039567 0.6467808 -0.0000000), wk = 0.0026455 k( 50) = ( 0.1869603 0.6467808 -0.0000000), wk = 0.0026455 k( 51) = ( 0.1699640 0.6467808 -0.0000000), wk = 0.0026455 k( 52) = ( 0.1529676 0.6467807 -0.0000000), wk = 0.0026455 k( 53) = ( 0.1359712 0.6467808 -0.0000000), wk = 0.0026455 k( 54) = ( 0.1189748 0.6467808 -0.0000000), wk = 0.0026455 k( 55) = ( 0.1019784 0.6467808 -0.0000000), wk = 0.0026455 k( 56) = ( 0.0849820 0.6467807 -0.0000000), wk = 0.0026455 k( 57) = ( 0.0679856 0.6467808 -0.0000000), wk = 0.0026455 k( 58) = ( 0.0509892 0.6467808 -0.0000000), wk = 0.0026455 k( 59) = ( 0.0339928 0.6467808 -0.0000000), wk = 0.0026455 k( 60) = ( 0.0169964 0.6467808 -0.0000000), wk = 0.0026455 k( 61) = ( 0.0000000 0.6467808 -0.0000000), wk = 0.0026455 k( 62) = ( 0.0000000 0.6467808 -0.0000000), wk = 0.0026455 k( 63) = ( 0.0000000 0.6467808 0.0175508), wk = 0.0026455 k( 64) = ( 0.0000000 0.6467808 0.0351015), wk = 0.0026455 k( 65) = ( 0.0000000 0.6467808 0.0526523), wk = 0.0026455 k( 66) = ( 0.0000000 0.6467808 0.0702030), wk = 0.0026455 k( 67) = ( 0.0000000 0.6467808 0.0877538), wk = 0.0026455 k( 68) = ( 0.0000000 0.6467808 0.1053045), wk = 0.0026455 k( 69) = ( 0.0000000 0.6467808 0.1228553), wk = 0.0026455 k( 70) = ( 0.0000000 0.6467808 0.1404060), wk = 0.0026455 k( 71) = ( 0.0000000 0.6467808 0.1579568), wk = 0.0026455 k( 72) = ( 0.0000000 0.6467808 0.1755075), wk = 0.0026455 k( 73) = ( 0.0000000 0.6467808 0.1930583), wk = 0.0026455 k( 74) = ( 0.0000000 0.6467808 0.2106090), wk = 0.0026455 k( 75) = ( 0.0000000 0.6467808 0.2281598), wk = 0.0026455 k( 76) = ( 0.0000000 0.6467808 0.2457105), wk = 0.0026455 k( 77) = ( 0.0000000 0.6467808 0.2632613), wk = 0.0026455 k( 78) = ( 0.0000000 0.6467808 0.2808120), wk = 0.0026455 k( 79) = ( 0.0000000 0.6467808 0.2983628), wk = 0.0026455 k( 80) = ( 0.0000000 0.6467808 0.3159136), wk = 0.0026455 k( 81) = ( 0.0000000 0.6467808 0.3334643), wk = 0.0026455 k( 82) = ( 0.0000000 0.6467808 0.3510151), wk = 0.0026455 k( 83) = ( 0.0000000 0.6467808 0.3685658), wk = 0.0026455 k( 84) = ( 0.0000000 0.6467808 0.3861166), wk = 0.0026455 k( 85) = ( 0.0000000 0.6467808 0.4036673), wk = 0.0026455 k( 86) = ( 0.0000000 0.6467808 0.4212181), wk = 0.0026455 k( 87) = ( 0.0000000 0.6467808 0.4387688), wk = 0.0026455 k( 88) = ( 0.0000000 0.6467808 0.4563196), wk = 0.0026455 k( 89) = ( 0.0000000 0.6467808 0.4738703), wk = 0.0026455 k( 90) = ( 0.0000000 0.6467808 0.4914211), wk = 0.0026455 k( 91) = ( 0.0000000 0.6467808 0.5089718), wk = 0.0026455 k( 92) = ( 0.0000000 0.6467808 0.5265226), wk = 0.0026455 k( 93) = ( 0.0000000 0.6467808 0.5440733), wk = 0.0026455 k( 94) = ( 0.0000000 0.6467808 0.5616241), wk = 0.0026455 k( 95) = ( 0.0000000 0.6467808 0.5791749), wk = 0.0026455 k( 96) = ( 0.0000000 0.6467808 0.5791749), wk = 0.0026455 k( 97) = ( 0.0169964 0.6467808 0.5791749), wk = 0.0026455 k( 98) = ( 0.0339928 0.6467808 0.5791749), wk = 0.0026455 k( 99) = ( 0.0509892 0.6467808 0.5791749), wk = 0.0026455 k( 100) = ( 0.0679856 0.6467808 0.5791749), wk = 0.0026455 k( 101) = ( 0.0849820 0.6467807 0.5791749), wk = 0.0026455 k( 102) = ( 0.1019784 0.6467808 0.5791749), wk = 0.0026455 k( 103) = ( 0.1189748 0.6467808 0.5791749), wk = 0.0026455 k( 104) = ( 0.1359712 0.6467808 0.5791749), wk = 0.0026455 k( 105) = ( 0.1529676 0.6467807 0.5791749), wk = 0.0026455 k( 106) = ( 0.1699640 0.6467808 0.5791749), wk = 0.0026455 k( 107) = ( 0.1869603 0.6467808 0.5791749), wk = 0.0026455 k( 108) = ( 0.2039567 0.6467808 0.5791749), wk = 0.0026455 k( 109) = ( 0.2209531 0.6467808 0.5791749), wk = 0.0026455 k( 110) = ( 0.2379495 0.6467808 0.5791749), wk = 0.0026455 k( 111) = ( 0.2549459 0.6467807 0.5791749), wk = 0.0026455 k( 112) = ( 0.2719423 0.6467808 0.5791749), wk = 0.0026455 k( 113) = ( 0.2889387 0.6467808 0.5791749), wk = 0.0026455 k( 114) = ( 0.3059351 0.6467808 0.5791749), wk = 0.0026455 k( 115) = ( 0.3059351 0.6467808 0.5791749), wk = 0.0026455 k( 116) = ( 0.2984733 0.6310056 0.5791749), wk = 0.0026455 k( 117) = ( 0.2910114 0.6152305 0.5791749), wk = 0.0026455 k( 118) = ( 0.2835496 0.5994553 0.5791749), wk = 0.0026455 k( 119) = ( 0.2760878 0.5836802 0.5791749), wk = 0.0026455 k( 120) = ( 0.2686260 0.5679051 0.5791749), wk = 0.0026455 k( 121) = ( 0.2611641 0.5521299 0.5791749), wk = 0.0026455 k( 122) = ( 0.2537023 0.5363548 0.5791749), wk = 0.0026455 k( 123) = ( 0.2462404 0.5205796 0.5791749), wk = 0.0026455 k( 124) = ( 0.2387786 0.5048045 0.5791749), wk = 0.0026455 k( 125) = ( 0.2313168 0.4890294 0.5791749), wk = 0.0026455 k( 126) = ( 0.2238549 0.4732542 0.5791749), wk = 0.0026455 k( 127) = ( 0.2163931 0.4574791 0.5791749), wk = 0.0026455 k( 128) = ( 0.2089313 0.4417039 0.5791749), wk = 0.0026455 k( 129) = ( 0.2014695 0.4259288 0.5791749), wk = 0.0026455 k( 130) = ( 0.1940076 0.4101537 0.5791749), wk = 0.0026455 k( 131) = ( 0.1865458 0.3943785 0.5791749), wk = 0.0026455 k( 132) = ( 0.1790840 0.3786034 0.5791749), wk = 0.0026455 k( 133) = ( 0.1716221 0.3628282 0.5791749), wk = 0.0026455 k( 134) = ( 0.1641603 0.3470531 0.5791749), wk = 0.0026455 k( 135) = ( 0.1566985 0.3312780 0.5791749), wk = 0.0026455 k( 136) = ( 0.1492366 0.3155028 0.5791749), wk = 0.0026455 k( 137) = ( 0.1417748 0.2997277 0.5791749), wk = 0.0026455 k( 138) = ( 0.1343130 0.2839525 0.5791749), wk = 0.0026455 k( 139) = ( 0.1268511 0.2681774 0.5791749), wk = 0.0026455 k( 140) = ( 0.1193893 0.2524022 0.5791749), wk = 0.0026455 k( 141) = ( 0.1119275 0.2366271 0.5791749), wk = 0.0026455 k( 142) = ( 0.1044656 0.2208520 0.5791749), wk = 0.0026455 k( 143) = ( 0.0970038 0.2050768 0.5791749), wk = 0.0026455 k( 144) = ( 0.0895420 0.1893017 0.5791749), wk = 0.0026455 k( 145) = ( 0.0820802 0.1735265 0.5791749), wk = 0.0026455 k( 146) = ( 0.0746183 0.1577514 0.5791749), wk = 0.0026455 k( 147) = ( 0.0671565 0.1419763 0.5791749), wk = 0.0026455 k( 148) = ( 0.0596947 0.1262011 0.5791749), wk = 0.0026455 k( 149) = ( 0.0522328 0.1104260 0.5791749), wk = 0.0026455 k( 150) = ( 0.0447710 0.0946508 0.5791749), wk = 0.0026455 k( 151) = ( 0.0373092 0.0788757 0.5791749), wk = 0.0026455 k( 152) = ( 0.0298473 0.0631006 0.5791749), wk = 0.0026455 k( 153) = ( 0.0223855 0.0473254 0.5791749), wk = 0.0026455 k( 154) = ( 0.0149237 0.0315503 0.5791749), wk = 0.0026455 k( 155) = ( 0.0074618 0.0157751 0.5791749), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.5791749), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.5791749), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.5616241), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.5440733), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.5265226), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.5089718), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.4914211), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.4738703), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.4563196), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.4387688), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.4212181), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.4036673), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.3861166), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.3685658), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.3510151), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.3334643), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.3159136), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.2983628), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.2808120), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.2632613), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.2457105), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.2281598), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.2106090), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.1930583), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.1755075), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.1579568), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.1404060), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.1228553), wk = 0.0026455 k( 184) = ( 0.0000000 0.0000000 0.1053045), wk = 0.0026455 k( 185) = ( 0.0000000 0.0000000 0.0877538), wk = 0.0026455 k( 186) = ( 0.0000000 0.0000000 0.0702030), wk = 0.0026455 k( 187) = ( 0.0000000 0.0000000 0.0526523), wk = 0.0026455 k( 188) = ( 0.0000000 0.0000000 0.0351015), wk = 0.0026455 k( 189) = ( 0.0000000 0.0000000 0.0175508), wk = 0.0026455 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 192) = ( -0.0156250 0.0073908 -0.0000000), wk = 0.0026455 k( 193) = ( -0.0312500 0.0147816 -0.0000000), wk = 0.0026455 k( 194) = ( -0.0468750 0.0221724 -0.0000000), wk = 0.0026455 k( 195) = ( -0.0625000 0.0295633 -0.0000000), wk = 0.0026455 k( 196) = ( -0.0781250 0.0369541 -0.0000000), wk = 0.0026455 k( 197) = ( -0.0937500 0.0443449 -0.0000000), wk = 0.0026455 k( 198) = ( -0.1093750 0.0517357 -0.0000000), wk = 0.0026455 k( 199) = ( -0.1250000 0.0591265 -0.0000000), wk = 0.0026455 k( 200) = ( -0.1406250 0.0665173 -0.0000000), wk = 0.0026455 k( 201) = ( -0.1562500 0.0739081 -0.0000000), wk = 0.0026455 k( 202) = ( -0.1718750 0.0812989 -0.0000000), wk = 0.0026455 k( 203) = ( -0.1875000 0.0886898 -0.0000000), wk = 0.0026455 k( 204) = ( -0.2031250 0.0960806 -0.0000000), wk = 0.0026455 k( 205) = ( -0.2187500 0.1034714 -0.0000000), wk = 0.0026455 k( 206) = ( -0.2343750 0.1108622 -0.0000000), wk = 0.0026455 k( 207) = ( -0.2500000 0.1182530 -0.0000000), wk = 0.0026455 k( 208) = ( -0.2656250 0.1256438 -0.0000000), wk = 0.0026455 k( 209) = ( -0.2812500 0.1330346 -0.0000000), wk = 0.0026455 k( 210) = ( -0.2968750 0.1404255 -0.0000000), wk = 0.0026455 k( 211) = ( -0.3125000 0.1478163 -0.0000000), wk = 0.0026455 k( 212) = ( -0.3281250 0.1552071 -0.0000000), wk = 0.0026455 k( 213) = ( -0.3437500 0.1625979 -0.0000000), wk = 0.0026455 k( 214) = ( -0.3593750 0.1699887 -0.0000000), wk = 0.0026455 k( 215) = ( -0.3750000 0.1773795 -0.0000000), wk = 0.0026455 k( 216) = ( -0.3906250 0.1847703 -0.0000000), wk = 0.0026455 k( 217) = ( -0.4062500 0.1921612 -0.0000000), wk = 0.0026455 k( 218) = ( -0.4218750 0.1995520 -0.0000000), wk = 0.0026455 k( 219) = ( -0.4375000 0.2069428 -0.0000000), wk = 0.0026455 k( 220) = ( -0.4531250 0.2143336 -0.0000000), wk = 0.0026455 k( 221) = ( -0.4687500 0.2217244 -0.0000000), wk = 0.0026455 k( 222) = ( -0.4843750 0.2291152 -0.0000000), wk = 0.0026455 k( 223) = ( -0.5000000 0.2365060 -0.0000000), wk = 0.0026455 k( 224) = ( -0.5000000 0.2365060 -0.0000000), wk = 0.0026455 k( 225) = ( -0.4925360 0.2522858 -0.0000000), wk = 0.0026455 k( 226) = ( -0.4850719 0.2680656 -0.0000000), wk = 0.0026455 k( 227) = ( -0.4776079 0.2838454 -0.0000000), wk = 0.0026455 k( 228) = ( -0.4701439 0.2996252 -0.0000000), wk = 0.0026455 k( 229) = ( -0.4626798 0.3154050 -0.0000000), wk = 0.0026455 k( 230) = ( -0.4552158 0.3311848 -0.0000000), wk = 0.0026455 k( 231) = ( -0.4477518 0.3469646 -0.0000000), wk = 0.0026455 k( 232) = ( -0.4402877 0.3627444 -0.0000000), wk = 0.0026455 k( 233) = ( -0.4328237 0.3785242 -0.0000000), wk = 0.0026455 k( 234) = ( -0.4253597 0.3943040 -0.0000000), wk = 0.0026455 k( 235) = ( -0.4178956 0.4100838 -0.0000000), wk = 0.0026455 k( 236) = ( -0.4104316 0.4258636 -0.0000000), wk = 0.0026455 k( 237) = ( -0.4029676 0.4416434 -0.0000000), wk = 0.0026455 k( 238) = ( -0.3955035 0.4574232 -0.0000000), wk = 0.0026455 k( 239) = ( -0.3880395 0.4732030 -0.0000000), wk = 0.0026455 k( 240) = ( -0.3805754 0.4889828 -0.0000000), wk = 0.0026455 k( 241) = ( -0.3731114 0.5047626 -0.0000000), wk = 0.0026455 k( 242) = ( -0.3656474 0.5205424 -0.0000000), wk = 0.0026455 k( 243) = ( -0.3581834 0.5363222 -0.0000000), wk = 0.0026455 k( 244) = ( -0.3507193 0.5521020 -0.0000000), wk = 0.0026455 k( 245) = ( -0.3432553 0.5678818 -0.0000000), wk = 0.0026455 k( 246) = ( -0.3357912 0.5836616 -0.0000000), wk = 0.0026455 k( 247) = ( -0.3283272 0.5994414 -0.0000000), wk = 0.0026455 k( 248) = ( -0.3208632 0.6152212 -0.0000000), wk = 0.0026455 k( 249) = ( -0.3133991 0.6310010 -0.0000000), wk = 0.0026455 k( 250) = ( -0.3059351 0.6467807 -0.0000000), wk = 0.0026455 k( 251) = ( -0.3059351 0.6467807 -0.0000000), wk = 0.0026455 k( 252) = ( -0.3059351 0.6467807 0.0175508), wk = 0.0026455 k( 253) = ( -0.3059351 0.6467807 0.0351015), wk = 0.0026455 k( 254) = ( -0.3059351 0.6467807 0.0526523), wk = 0.0026455 k( 255) = ( -0.3059351 0.6467807 0.0702030), wk = 0.0026455 k( 256) = ( -0.3059351 0.6467807 0.0877538), wk = 0.0026455 k( 257) = ( -0.3059351 0.6467807 0.1053045), wk = 0.0026455 k( 258) = ( -0.3059351 0.6467807 0.1228553), wk = 0.0026455 k( 259) = ( -0.3059351 0.6467807 0.1404060), wk = 0.0026455 k( 260) = ( -0.3059351 0.6467807 0.1579568), wk = 0.0026455 k( 261) = ( -0.3059351 0.6467807 0.1755075), wk = 0.0026455 k( 262) = ( -0.3059351 0.6467807 0.1930583), wk = 0.0026455 k( 263) = ( -0.3059351 0.6467807 0.2106090), wk = 0.0026455 k( 264) = ( -0.3059351 0.6467807 0.2281598), wk = 0.0026455 k( 265) = ( -0.3059351 0.6467807 0.2457105), wk = 0.0026455 k( 266) = ( -0.3059351 0.6467807 0.2632613), wk = 0.0026455 k( 267) = ( -0.3059351 0.6467807 0.2808120), wk = 0.0026455 k( 268) = ( -0.3059351 0.6467807 0.2983628), wk = 0.0026455 k( 269) = ( -0.3059351 0.6467807 0.3159136), wk = 0.0026455 k( 270) = ( -0.3059351 0.6467807 0.3334643), wk = 0.0026455 k( 271) = ( -0.3059351 0.6467807 0.3510151), wk = 0.0026455 k( 272) = ( -0.3059351 0.6467807 0.3685658), wk = 0.0026455 k( 273) = ( -0.3059351 0.6467807 0.3861166), wk = 0.0026455 k( 274) = ( -0.3059351 0.6467807 0.4036673), wk = 0.0026455 k( 275) = ( -0.3059351 0.6467807 0.4212181), wk = 0.0026455 k( 276) = ( -0.3059351 0.6467807 0.4387688), wk = 0.0026455 k( 277) = ( -0.3059351 0.6467807 0.4563196), wk = 0.0026455 k( 278) = ( -0.3059351 0.6467807 0.4738703), wk = 0.0026455 k( 279) = ( -0.3059351 0.6467807 0.4914211), wk = 0.0026455 k( 280) = ( -0.3059351 0.6467807 0.5089718), wk = 0.0026455 k( 281) = ( -0.3059351 0.6467807 0.5265226), wk = 0.0026455 k( 282) = ( -0.3059351 0.6467807 0.5440733), wk = 0.0026455 k( 283) = ( -0.3059351 0.6467807 0.5616241), wk = 0.0026455 k( 284) = ( -0.3059351 0.6467807 0.5791749), wk = 0.0026455 k( 285) = ( -0.3059351 0.6467807 0.5791749), wk = 0.0026455 k( 286) = ( -0.3133991 0.6310010 0.5791749), wk = 0.0026455 k( 287) = ( -0.3208632 0.6152212 0.5791749), wk = 0.0026455 k( 288) = ( -0.3283272 0.5994414 0.5791749), wk = 0.0026455 k( 289) = ( -0.3357912 0.5836616 0.5791749), wk = 0.0026455 k( 290) = ( -0.3432553 0.5678818 0.5791749), wk = 0.0026455 k( 291) = ( -0.3507193 0.5521020 0.5791749), wk = 0.0026455 k( 292) = ( -0.3581834 0.5363222 0.5791749), wk = 0.0026455 k( 293) = ( -0.3656474 0.5205424 0.5791749), wk = 0.0026455 k( 294) = ( -0.3731114 0.5047626 0.5791749), wk = 0.0026455 k( 295) = ( -0.3805754 0.4889828 0.5791749), wk = 0.0026455 k( 296) = ( -0.3880395 0.4732030 0.5791749), wk = 0.0026455 k( 297) = ( -0.3955035 0.4574232 0.5791749), wk = 0.0026455 k( 298) = ( -0.4029676 0.4416434 0.5791749), wk = 0.0026455 k( 299) = ( -0.4104316 0.4258636 0.5791749), wk = 0.0026455 k( 300) = ( -0.4178956 0.4100838 0.5791749), wk = 0.0026455 k( 301) = ( -0.4253597 0.3943040 0.5791749), wk = 0.0026455 k( 302) = ( -0.4328237 0.3785242 0.5791749), wk = 0.0026455 k( 303) = ( -0.4402877 0.3627444 0.5791749), wk = 0.0026455 k( 304) = ( -0.4477518 0.3469646 0.5791749), wk = 0.0026455 k( 305) = ( -0.4552158 0.3311848 0.5791749), wk = 0.0026455 k( 306) = ( -0.4626798 0.3154050 0.5791749), wk = 0.0026455 k( 307) = ( -0.4701439 0.2996252 0.5791749), wk = 0.0026455 k( 308) = ( -0.4776079 0.2838454 0.5791749), wk = 0.0026455 k( 309) = ( -0.4850719 0.2680656 0.5791749), wk = 0.0026455 k( 310) = ( -0.4925360 0.2522858 0.5791749), wk = 0.0026455 k( 311) = ( -0.5000000 0.2365060 0.5791749), wk = 0.0026455 k( 312) = ( -0.5000000 0.2365060 0.5791749), wk = 0.0026455 k( 313) = ( -0.5000000 0.2365060 0.5616241), wk = 0.0026455 k( 314) = ( -0.5000000 0.2365060 0.5440733), wk = 0.0026455 k( 315) = ( -0.5000000 0.2365060 0.5265226), wk = 0.0026455 k( 316) = ( -0.5000000 0.2365060 0.5089718), wk = 0.0026455 k( 317) = ( -0.5000000 0.2365060 0.4914211), wk = 0.0026455 k( 318) = ( -0.5000000 0.2365060 0.4738703), wk = 0.0026455 k( 319) = ( -0.5000000 0.2365060 0.4563196), wk = 0.0026455 k( 320) = ( -0.5000000 0.2365060 0.4387688), wk = 0.0026455 k( 321) = ( -0.5000000 0.2365060 0.4212181), wk = 0.0026455 k( 322) = ( -0.5000000 0.2365060 0.4036673), wk = 0.0026455 k( 323) = ( -0.5000000 0.2365060 0.3861166), wk = 0.0026455 k( 324) = ( -0.5000000 0.2365060 0.3685658), wk = 0.0026455 k( 325) = ( -0.5000000 0.2365060 0.3510151), wk = 0.0026455 k( 326) = ( -0.5000000 0.2365060 0.3334643), wk = 0.0026455 k( 327) = ( -0.5000000 0.2365060 0.3159136), wk = 0.0026455 k( 328) = ( -0.5000000 0.2365060 0.2983628), wk = 0.0026455 k( 329) = ( -0.5000000 0.2365060 0.2808120), wk = 0.0026455 k( 330) = ( -0.5000000 0.2365060 0.2632613), wk = 0.0026455 k( 331) = ( -0.5000000 0.2365060 0.2457105), wk = 0.0026455 k( 332) = ( -0.5000000 0.2365060 0.2281598), wk = 0.0026455 k( 333) = ( -0.5000000 0.2365060 0.2106090), wk = 0.0026455 k( 334) = ( -0.5000000 0.2365060 0.1930583), wk = 0.0026455 k( 335) = ( -0.5000000 0.2365060 0.1755075), wk = 0.0026455 k( 336) = ( -0.5000000 0.2365060 0.1579568), wk = 0.0026455 k( 337) = ( -0.5000000 0.2365060 0.1404060), wk = 0.0026455 k( 338) = ( -0.5000000 0.2365060 0.1228553), wk = 0.0026455 k( 339) = ( -0.5000000 0.2365060 0.1053045), wk = 0.0026455 k( 340) = ( -0.5000000 0.2365060 0.0877538), wk = 0.0026455 k( 341) = ( -0.5000000 0.2365060 0.0702030), wk = 0.0026455 k( 342) = ( -0.5000000 0.2365060 0.0526523), wk = 0.0026455 k( 343) = ( -0.5000000 0.2365060 0.0351015), wk = 0.0026455 k( 344) = ( -0.5000000 0.2365060 0.0175508), wk = 0.0026455 k( 345) = ( -0.5000000 0.2365060 -0.0000000), wk = 0.0026455 k( 346) = ( 0.0000000 0.0000000 0.5791749), wk = 0.0026455 k( 347) = ( -0.0156250 0.0073908 0.5791749), wk = 0.0026455 k( 348) = ( -0.0312500 0.0147816 0.5791749), wk = 0.0026455 k( 349) = ( -0.0468750 0.0221724 0.5791749), wk = 0.0026455 k( 350) = ( -0.0625000 0.0295633 0.5791749), wk = 0.0026455 k( 351) = ( -0.0781250 0.0369541 0.5791749), wk = 0.0026455 k( 352) = ( -0.0937500 0.0443449 0.5791749), wk = 0.0026455 k( 353) = ( -0.1093750 0.0517357 0.5791749), wk = 0.0026455 k( 354) = ( -0.1250000 0.0591265 0.5791749), wk = 0.0026455 k( 355) = ( -0.1406250 0.0665173 0.5791749), wk = 0.0026455 k( 356) = ( -0.1562500 0.0739081 0.5791749), wk = 0.0026455 k( 357) = ( -0.1718750 0.0812989 0.5791749), wk = 0.0026455 k( 358) = ( -0.1875000 0.0886898 0.5791749), wk = 0.0026455 k( 359) = ( -0.2031250 0.0960806 0.5791749), wk = 0.0026455 k( 360) = ( -0.2187500 0.1034714 0.5791749), wk = 0.0026455 k( 361) = ( -0.2343750 0.1108622 0.5791749), wk = 0.0026455 k( 362) = ( -0.2500000 0.1182530 0.5791749), wk = 0.0026455 k( 363) = ( -0.2656250 0.1256438 0.5791749), wk = 0.0026455 k( 364) = ( -0.2812500 0.1330346 0.5791749), wk = 0.0026455 k( 365) = ( -0.2968750 0.1404255 0.5791749), wk = 0.0026455 k( 366) = ( -0.3125000 0.1478163 0.5791749), wk = 0.0026455 k( 367) = ( -0.3281250 0.1552071 0.5791749), wk = 0.0026455 k( 368) = ( -0.3437500 0.1625979 0.5791749), wk = 0.0026455 k( 369) = ( -0.3593750 0.1699887 0.5791749), wk = 0.0026455 k( 370) = ( -0.3750000 0.1773795 0.5791749), wk = 0.0026455 k( 371) = ( -0.3906250 0.1847703 0.5791749), wk = 0.0026455 k( 372) = ( -0.4062500 0.1921612 0.5791749), wk = 0.0026455 k( 373) = ( -0.4218750 0.1995520 0.5791749), wk = 0.0026455 k( 374) = ( -0.4375000 0.2069428 0.5791749), wk = 0.0026455 k( 375) = ( -0.4531250 0.2143336 0.5791749), wk = 0.0026455 k( 376) = ( -0.4687500 0.2217244 0.5791749), wk = 0.0026455 k( 377) = ( -0.4843750 0.2291152 0.5791749), wk = 0.0026455 k( 378) = ( -0.5000000 0.2365060 0.5791749), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0074618 0.0074618 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0149237 0.0149237 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0223855 0.0223855 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0298473 0.0298473 0.0000000), wk = 0.0026455 k( 6) = ( 0.0373092 0.0373092 0.0000000), wk = 0.0026455 k( 7) = ( 0.0447710 0.0447710 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0522328 0.0522328 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0596947 0.0596946 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0671565 0.0671565 0.0000000), wk = 0.0026455 k( 11) = ( 0.0746183 0.0746183 0.0000000), wk = 0.0026455 k( 12) = ( 0.0820802 0.0820801 0.0000000), wk = 0.0026455 k( 13) = ( 0.0895420 0.0895420 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0970038 0.0970038 -0.0000000), wk = 0.0026455 k( 15) = ( 0.1044656 0.1044656 -0.0000000), wk = 0.0026455 k( 16) = ( 0.1119275 0.1119275 0.0000000), wk = 0.0026455 k( 17) = ( 0.1193893 0.1193893 0.0000000), wk = 0.0026455 k( 18) = ( 0.1268511 0.1268511 -0.0000000), wk = 0.0026455 k( 19) = ( 0.1343130 0.1343130 -0.0000000), wk = 0.0026455 k( 20) = ( 0.1417748 0.1417748 -0.0000000), wk = 0.0026455 k( 21) = ( 0.1492366 0.1492366 0.0000000), wk = 0.0026455 k( 22) = ( 0.1566985 0.1566985 0.0000000), wk = 0.0026455 k( 23) = ( 0.1641603 0.1641603 0.0000000), wk = 0.0026455 k( 24) = ( 0.1716221 0.1716221 0.0000000), wk = 0.0026455 k( 25) = ( 0.1790840 0.1790840 -0.0000000), wk = 0.0026455 k( 26) = ( 0.1865458 0.1865458 -0.0000000), wk = 0.0026455 k( 27) = ( 0.1940076 0.1940076 0.0000000), wk = 0.0026455 k( 28) = ( 0.2014695 0.2014695 -0.0000000), wk = 0.0026455 k( 29) = ( 0.2089313 0.2089313 -0.0000000), wk = 0.0026455 k( 30) = ( 0.2163931 0.2163931 0.0000000), wk = 0.0026455 k( 31) = ( 0.2238549 0.2238550 -0.0000000), wk = 0.0026455 k( 32) = ( 0.2313168 0.2313168 -0.0000000), wk = 0.0026455 k( 33) = ( 0.2387786 0.2387786 0.0000000), wk = 0.0026455 k( 34) = ( 0.2462404 0.2462404 -0.0000000), wk = 0.0026455 k( 35) = ( 0.2537023 0.2537023 -0.0000000), wk = 0.0026455 k( 36) = ( 0.2611641 0.2611641 -0.0000000), wk = 0.0026455 k( 37) = ( 0.2686260 0.2686260 0.0000000), wk = 0.0026455 k( 38) = ( 0.2760878 0.2760878 0.0000000), wk = 0.0026455 k( 39) = ( 0.2835496 0.2835496 0.0000000), wk = 0.0026455 k( 40) = ( 0.2910114 0.2910114 -0.0000000), wk = 0.0026455 k( 41) = ( 0.2984733 0.2984733 0.0000000), wk = 0.0026455 k( 42) = ( 0.3059351 0.3059351 -0.0000000), wk = 0.0026455 k( 43) = ( 0.3059351 0.3059351 -0.0000000), wk = 0.0026455 k( 44) = ( 0.2889387 0.3167165 -0.0000000), wk = 0.0026455 k( 45) = ( 0.2719423 0.3274979 -0.0000000), wk = 0.0026455 k( 46) = ( 0.2549459 0.3382792 0.0000000), wk = 0.0026455 k( 47) = ( 0.2379495 0.3490606 -0.0000000), wk = 0.0026455 k( 48) = ( 0.2209531 0.3598420 -0.0000000), wk = 0.0026455 k( 49) = ( 0.2039567 0.3706234 0.0000000), wk = 0.0026455 k( 50) = ( 0.1869603 0.3814048 -0.0000000), wk = 0.0026455 k( 51) = ( 0.1699640 0.3921862 -0.0000000), wk = 0.0026455 k( 52) = ( 0.1529676 0.4029676 -0.0000000), wk = 0.0026455 k( 53) = ( 0.1359712 0.4137489 -0.0000000), wk = 0.0026455 k( 54) = ( 0.1189748 0.4245303 -0.0000000), wk = 0.0026455 k( 55) = ( 0.1019784 0.4353117 -0.0000000), wk = 0.0026455 k( 56) = ( 0.0849820 0.4460931 0.0000000), wk = 0.0026455 k( 57) = ( 0.0679856 0.4568745 0.0000000), wk = 0.0026455 k( 58) = ( 0.0509892 0.4676558 -0.0000000), wk = 0.0026455 k( 59) = ( 0.0339928 0.4784372 -0.0000000), wk = 0.0026455 k( 60) = ( 0.0169964 0.4892186 -0.0000000), wk = 0.0026455 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 63) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026455 k( 64) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026455 k( 65) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0026455 k( 66) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026455 k( 67) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026455 k( 68) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026455 k( 69) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026455 k( 70) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026455 k( 71) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026455 k( 72) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0026455 k( 73) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026455 k( 74) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026455 k( 75) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026455 k( 76) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026455 k( 77) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026455 k( 78) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026455 k( 79) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026455 k( 80) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026455 k( 81) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026455 k( 82) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026455 k( 83) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026455 k( 84) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026455 k( 85) = ( 0.0000000 0.5000000 0.3484848), wk = 0.0026455 k( 86) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026455 k( 87) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026455 k( 88) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026455 k( 89) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026455 k( 90) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026455 k( 91) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026455 k( 92) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0026455 k( 93) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026455 k( 94) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026455 k( 95) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 97) = ( 0.0169964 0.4892186 0.5000000), wk = 0.0026455 k( 98) = ( 0.0339928 0.4784372 0.5000000), wk = 0.0026455 k( 99) = ( 0.0509892 0.4676558 0.5000000), wk = 0.0026455 k( 100) = ( 0.0679856 0.4568745 0.5000000), wk = 0.0026455 k( 101) = ( 0.0849820 0.4460931 0.5000000), wk = 0.0026455 k( 102) = ( 0.1019784 0.4353117 0.5000000), wk = 0.0026455 k( 103) = ( 0.1189748 0.4245303 0.5000000), wk = 0.0026455 k( 104) = ( 0.1359712 0.4137489 0.5000000), wk = 0.0026455 k( 105) = ( 0.1529676 0.4029676 0.5000000), wk = 0.0026455 k( 106) = ( 0.1699640 0.3921862 0.5000000), wk = 0.0026455 k( 107) = ( 0.1869603 0.3814048 0.5000000), wk = 0.0026455 k( 108) = ( 0.2039567 0.3706234 0.5000000), wk = 0.0026455 k( 109) = ( 0.2209531 0.3598420 0.5000000), wk = 0.0026455 k( 110) = ( 0.2379495 0.3490606 0.5000000), wk = 0.0026455 k( 111) = ( 0.2549459 0.3382792 0.5000000), wk = 0.0026455 k( 112) = ( 0.2719423 0.3274979 0.5000000), wk = 0.0026455 k( 113) = ( 0.2889387 0.3167165 0.5000000), wk = 0.0026455 k( 114) = ( 0.3059351 0.3059351 0.5000000), wk = 0.0026455 k( 115) = ( 0.3059351 0.3059351 0.5000000), wk = 0.0026455 k( 116) = ( 0.2984733 0.2984733 0.5000000), wk = 0.0026455 k( 117) = ( 0.2910114 0.2910114 0.5000000), wk = 0.0026455 k( 118) = ( 0.2835496 0.2835496 0.5000000), wk = 0.0026455 k( 119) = ( 0.2760878 0.2760878 0.5000000), wk = 0.0026455 k( 120) = ( 0.2686260 0.2686260 0.5000000), wk = 0.0026455 k( 121) = ( 0.2611641 0.2611641 0.5000000), wk = 0.0026455 k( 122) = ( 0.2537023 0.2537023 0.5000000), wk = 0.0026455 k( 123) = ( 0.2462404 0.2462404 0.5000000), wk = 0.0026455 k( 124) = ( 0.2387786 0.2387786 0.5000000), wk = 0.0026455 k( 125) = ( 0.2313168 0.2313168 0.5000000), wk = 0.0026455 k( 126) = ( 0.2238549 0.2238550 0.5000000), wk = 0.0026455 k( 127) = ( 0.2163931 0.2163931 0.5000000), wk = 0.0026455 k( 128) = ( 0.2089313 0.2089313 0.5000000), wk = 0.0026455 k( 129) = ( 0.2014695 0.2014695 0.5000000), wk = 0.0026455 k( 130) = ( 0.1940076 0.1940076 0.5000000), wk = 0.0026455 k( 131) = ( 0.1865458 0.1865458 0.5000000), wk = 0.0026455 k( 132) = ( 0.1790840 0.1790840 0.5000000), wk = 0.0026455 k( 133) = ( 0.1716221 0.1716221 0.5000000), wk = 0.0026455 k( 134) = ( 0.1641603 0.1641603 0.5000000), wk = 0.0026455 k( 135) = ( 0.1566985 0.1566985 0.5000000), wk = 0.0026455 k( 136) = ( 0.1492366 0.1492366 0.5000000), wk = 0.0026455 k( 137) = ( 0.1417748 0.1417748 0.5000000), wk = 0.0026455 k( 138) = ( 0.1343130 0.1343130 0.5000000), wk = 0.0026455 k( 139) = ( 0.1268511 0.1268511 0.5000000), wk = 0.0026455 k( 140) = ( 0.1193893 0.1193893 0.5000000), wk = 0.0026455 k( 141) = ( 0.1119275 0.1119275 0.5000000), wk = 0.0026455 k( 142) = ( 0.1044656 0.1044656 0.5000000), wk = 0.0026455 k( 143) = ( 0.0970038 0.0970038 0.5000000), wk = 0.0026455 k( 144) = ( 0.0895420 0.0895420 0.5000000), wk = 0.0026455 k( 145) = ( 0.0820802 0.0820801 0.5000000), wk = 0.0026455 k( 146) = ( 0.0746183 0.0746183 0.5000000), wk = 0.0026455 k( 147) = ( 0.0671565 0.0671565 0.5000000), wk = 0.0026455 k( 148) = ( 0.0596947 0.0596946 0.5000000), wk = 0.0026455 k( 149) = ( 0.0522328 0.0522328 0.5000000), wk = 0.0026455 k( 150) = ( 0.0447710 0.0447710 0.5000000), wk = 0.0026455 k( 151) = ( 0.0373092 0.0373092 0.5000000), wk = 0.0026455 k( 152) = ( 0.0298473 0.0298473 0.5000000), wk = 0.0026455 k( 153) = ( 0.0223855 0.0223855 0.5000000), wk = 0.0026455 k( 154) = ( 0.0149237 0.0149237 0.5000000), wk = 0.0026455 k( 155) = ( 0.0074618 0.0074618 0.5000000), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026455 k( 184) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026455 k( 185) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026455 k( 186) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026455 k( 187) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026455 k( 188) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026455 k( 189) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026455 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 192) = ( -0.0156250 0.0156250 -0.0000000), wk = 0.0026455 k( 193) = ( -0.0312500 0.0312500 -0.0000000), wk = 0.0026455 k( 194) = ( -0.0468750 0.0468750 -0.0000000), wk = 0.0026455 k( 195) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0026455 k( 196) = ( -0.0781250 0.0781250 -0.0000000), wk = 0.0026455 k( 197) = ( -0.0937500 0.0937500 -0.0000000), wk = 0.0026455 k( 198) = ( -0.1093750 0.1093750 0.0000000), wk = 0.0026455 k( 199) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0026455 k( 200) = ( -0.1406250 0.1406250 -0.0000000), wk = 0.0026455 k( 201) = ( -0.1562500 0.1562500 -0.0000000), wk = 0.0026455 k( 202) = ( -0.1718750 0.1718750 -0.0000000), wk = 0.0026455 k( 203) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0026455 k( 204) = ( -0.2031250 0.2031250 -0.0000000), wk = 0.0026455 k( 205) = ( -0.2187500 0.2187500 0.0000000), wk = 0.0026455 k( 206) = ( -0.2343750 0.2343750 -0.0000000), wk = 0.0026455 k( 207) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0026455 k( 208) = ( -0.2656250 0.2656250 0.0000000), wk = 0.0026455 k( 209) = ( -0.2812500 0.2812500 -0.0000000), wk = 0.0026455 k( 210) = ( -0.2968750 0.2968750 -0.0000000), wk = 0.0026455 k( 211) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0026455 k( 212) = ( -0.3281250 0.3281250 -0.0000000), wk = 0.0026455 k( 213) = ( -0.3437500 0.3437500 -0.0000000), wk = 0.0026455 k( 214) = ( -0.3593750 0.3593750 -0.0000000), wk = 0.0026455 k( 215) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0026455 k( 216) = ( -0.3906250 0.3906250 0.0000000), wk = 0.0026455 k( 217) = ( -0.4062500 0.4062500 -0.0000000), wk = 0.0026455 k( 218) = ( -0.4218750 0.4218750 -0.0000000), wk = 0.0026455 k( 219) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0026455 k( 220) = ( -0.4531250 0.4531250 -0.0000000), wk = 0.0026455 k( 221) = ( -0.4687500 0.4687500 -0.0000000), wk = 0.0026455 k( 222) = ( -0.4843750 0.4843750 0.0000000), wk = 0.0026455 k( 223) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 224) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 225) = ( -0.4925360 0.5074640 -0.0000000), wk = 0.0026455 k( 226) = ( -0.4850719 0.5149281 0.0000000), wk = 0.0026455 k( 227) = ( -0.4776079 0.5223921 0.0000000), wk = 0.0026455 k( 228) = ( -0.4701439 0.5298561 -0.0000000), wk = 0.0026455 k( 229) = ( -0.4626798 0.5373202 -0.0000000), wk = 0.0026455 k( 230) = ( -0.4552158 0.5447842 -0.0000000), wk = 0.0026455 k( 231) = ( -0.4477518 0.5522482 0.0000000), wk = 0.0026455 k( 232) = ( -0.4402877 0.5597123 -0.0000000), wk = 0.0026455 k( 233) = ( -0.4328237 0.5671763 0.0000000), wk = 0.0026455 k( 234) = ( -0.4253597 0.5746403 -0.0000000), wk = 0.0026455 k( 235) = ( -0.4178956 0.5821044 -0.0000000), wk = 0.0026455 k( 236) = ( -0.4104316 0.5895684 -0.0000000), wk = 0.0026455 k( 237) = ( -0.4029676 0.5970324 -0.0000000), wk = 0.0026455 k( 238) = ( -0.3955035 0.6044965 0.0000000), wk = 0.0026455 k( 239) = ( -0.3880395 0.6119605 -0.0000000), wk = 0.0026455 k( 240) = ( -0.3805754 0.6194245 -0.0000000), wk = 0.0026455 k( 241) = ( -0.3731114 0.6268886 -0.0000000), wk = 0.0026455 k( 242) = ( -0.3656474 0.6343526 -0.0000000), wk = 0.0026455 k( 243) = ( -0.3581834 0.6418166 -0.0000000), wk = 0.0026455 k( 244) = ( -0.3507193 0.6492807 0.0000000), wk = 0.0026455 k( 245) = ( -0.3432553 0.6567447 0.0000000), wk = 0.0026455 k( 246) = ( -0.3357912 0.6642088 -0.0000000), wk = 0.0026455 k( 247) = ( -0.3283272 0.6716728 -0.0000000), wk = 0.0026455 k( 248) = ( -0.3208632 0.6791368 -0.0000000), wk = 0.0026455 k( 249) = ( -0.3133991 0.6866009 -0.0000000), wk = 0.0026455 k( 250) = ( -0.3059351 0.6940649 -0.0000000), wk = 0.0026455 k( 251) = ( -0.3059351 0.6940649 -0.0000000), wk = 0.0026455 k( 252) = ( -0.3059351 0.6940649 0.0151515), wk = 0.0026455 k( 253) = ( -0.3059351 0.6940649 0.0303030), wk = 0.0026455 k( 254) = ( -0.3059351 0.6940649 0.0454545), wk = 0.0026455 k( 255) = ( -0.3059351 0.6940649 0.0606061), wk = 0.0026455 k( 256) = ( -0.3059351 0.6940649 0.0757576), wk = 0.0026455 k( 257) = ( -0.3059351 0.6940649 0.0909091), wk = 0.0026455 k( 258) = ( -0.3059351 0.6940649 0.1060606), wk = 0.0026455 k( 259) = ( -0.3059351 0.6940649 0.1212121), wk = 0.0026455 k( 260) = ( -0.3059351 0.6940649 0.1363636), wk = 0.0026455 k( 261) = ( -0.3059351 0.6940649 0.1515151), wk = 0.0026455 k( 262) = ( -0.3059351 0.6940649 0.1666667), wk = 0.0026455 k( 263) = ( -0.3059351 0.6940649 0.1818182), wk = 0.0026455 k( 264) = ( -0.3059351 0.6940649 0.1969697), wk = 0.0026455 k( 265) = ( -0.3059351 0.6940649 0.2121212), wk = 0.0026455 k( 266) = ( -0.3059351 0.6940649 0.2272727), wk = 0.0026455 k( 267) = ( -0.3059351 0.6940649 0.2424242), wk = 0.0026455 k( 268) = ( -0.3059351 0.6940649 0.2575758), wk = 0.0026455 k( 269) = ( -0.3059351 0.6940649 0.2727273), wk = 0.0026455 k( 270) = ( -0.3059351 0.6940649 0.2878788), wk = 0.0026455 k( 271) = ( -0.3059351 0.6940649 0.3030303), wk = 0.0026455 k( 272) = ( -0.3059351 0.6940649 0.3181818), wk = 0.0026455 k( 273) = ( -0.3059351 0.6940649 0.3333333), wk = 0.0026455 k( 274) = ( -0.3059351 0.6940649 0.3484849), wk = 0.0026455 k( 275) = ( -0.3059351 0.6940649 0.3636364), wk = 0.0026455 k( 276) = ( -0.3059351 0.6940649 0.3787879), wk = 0.0026455 k( 277) = ( -0.3059351 0.6940649 0.3939394), wk = 0.0026455 k( 278) = ( -0.3059351 0.6940649 0.4090909), wk = 0.0026455 k( 279) = ( -0.3059351 0.6940649 0.4242424), wk = 0.0026455 k( 280) = ( -0.3059351 0.6940649 0.4393939), wk = 0.0026455 k( 281) = ( -0.3059351 0.6940649 0.4545455), wk = 0.0026455 k( 282) = ( -0.3059351 0.6940649 0.4696970), wk = 0.0026455 k( 283) = ( -0.3059351 0.6940649 0.4848485), wk = 0.0026455 k( 284) = ( -0.3059351 0.6940649 0.5000000), wk = 0.0026455 k( 285) = ( -0.3059351 0.6940649 0.5000000), wk = 0.0026455 k( 286) = ( -0.3133991 0.6866009 0.5000000), wk = 0.0026455 k( 287) = ( -0.3208632 0.6791368 0.5000000), wk = 0.0026455 k( 288) = ( -0.3283272 0.6716728 0.5000000), wk = 0.0026455 k( 289) = ( -0.3357912 0.6642088 0.5000000), wk = 0.0026455 k( 290) = ( -0.3432553 0.6567447 0.5000000), wk = 0.0026455 k( 291) = ( -0.3507193 0.6492807 0.5000000), wk = 0.0026455 k( 292) = ( -0.3581834 0.6418166 0.5000000), wk = 0.0026455 k( 293) = ( -0.3656474 0.6343526 0.5000000), wk = 0.0026455 k( 294) = ( -0.3731114 0.6268886 0.5000000), wk = 0.0026455 k( 295) = ( -0.3805754 0.6194245 0.5000000), wk = 0.0026455 k( 296) = ( -0.3880395 0.6119605 0.5000000), wk = 0.0026455 k( 297) = ( -0.3955035 0.6044965 0.5000000), wk = 0.0026455 k( 298) = ( -0.4029676 0.5970324 0.5000000), wk = 0.0026455 k( 299) = ( -0.4104316 0.5895684 0.5000000), wk = 0.0026455 k( 300) = ( -0.4178956 0.5821044 0.5000000), wk = 0.0026455 k( 301) = ( -0.4253597 0.5746403 0.5000000), wk = 0.0026455 k( 302) = ( -0.4328237 0.5671763 0.5000000), wk = 0.0026455 k( 303) = ( -0.4402877 0.5597123 0.5000000), wk = 0.0026455 k( 304) = ( -0.4477518 0.5522482 0.5000000), wk = 0.0026455 k( 305) = ( -0.4552158 0.5447842 0.5000000), wk = 0.0026455 k( 306) = ( -0.4626798 0.5373202 0.5000000), wk = 0.0026455 k( 307) = ( -0.4701439 0.5298561 0.5000000), wk = 0.0026455 k( 308) = ( -0.4776079 0.5223921 0.5000000), wk = 0.0026455 k( 309) = ( -0.4850719 0.5149281 0.5000000), wk = 0.0026455 k( 310) = ( -0.4925360 0.5074640 0.5000000), wk = 0.0026455 k( 311) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 312) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 313) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026455 k( 314) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026455 k( 315) = ( -0.5000000 0.5000000 0.4545454), wk = 0.0026455 k( 316) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026455 k( 317) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026455 k( 318) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026455 k( 319) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026455 k( 320) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026455 k( 321) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026455 k( 322) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0026455 k( 323) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026455 k( 324) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026455 k( 325) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026455 k( 326) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026455 k( 327) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026455 k( 328) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026455 k( 329) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026455 k( 330) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026455 k( 331) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026455 k( 332) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026455 k( 333) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026455 k( 334) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026455 k( 335) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026455 k( 336) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026455 k( 337) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026455 k( 338) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026455 k( 339) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026455 k( 340) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026455 k( 341) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026455 k( 342) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026455 k( 343) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026455 k( 344) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026455 k( 345) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 346) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 347) = ( -0.0156250 0.0156250 0.5000000), wk = 0.0026455 k( 348) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0026455 k( 349) = ( -0.0468750 0.0468750 0.5000000), wk = 0.0026455 k( 350) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0026455 k( 351) = ( -0.0781250 0.0781250 0.5000000), wk = 0.0026455 k( 352) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0026455 k( 353) = ( -0.1093750 0.1093750 0.5000000), wk = 0.0026455 k( 354) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026455 k( 355) = ( -0.1406250 0.1406250 0.5000000), wk = 0.0026455 k( 356) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0026455 k( 357) = ( -0.1718750 0.1718750 0.5000000), wk = 0.0026455 k( 358) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0026455 k( 359) = ( -0.2031250 0.2031250 0.5000000), wk = 0.0026455 k( 360) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0026455 k( 361) = ( -0.2343750 0.2343750 0.5000000), wk = 0.0026455 k( 362) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026455 k( 363) = ( -0.2656250 0.2656250 0.5000000), wk = 0.0026455 k( 364) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0026455 k( 365) = ( -0.2968750 0.2968750 0.5000000), wk = 0.0026455 k( 366) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0026455 k( 367) = ( -0.3281250 0.3281250 0.5000000), wk = 0.0026455 k( 368) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0026455 k( 369) = ( -0.3593750 0.3593750 0.5000000), wk = 0.0026455 k( 370) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026455 k( 371) = ( -0.3906250 0.3906250 0.5000000), wk = 0.0026455 k( 372) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0026455 k( 373) = ( -0.4218750 0.4218750 0.5000000), wk = 0.0026455 k( 374) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0026455 k( 375) = ( -0.4531250 0.4531250 0.5000000), wk = 0.0026455 k( 376) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0026455 k( 377) = ( -0.4843750 0.4843750 0.5000000), wk = 0.0026455 k( 378) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 Dense grid: 108391 G-vectors FFT dimensions: ( 72, 72, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 768, 46) NL pseudopotentials 0.73 Mb ( 384, 124) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3013) G-vector shells 0.01 Mb ( 1501) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.16 Mb ( 768, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.17 Mb ( 124, 2, 46) The potential is recalculated from file : ./Li2Tl.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 total cpu time spent up to now is 11.7 secs Computing kpt #: 14 total cpu time spent up to now is 12.6 secs Computing kpt #: 15 total cpu time spent up to now is 13.6 secs Computing kpt #: 16 total cpu time spent up to now is 14.6 secs Computing kpt #: 17 total cpu time spent up to now is 15.6 secs Computing kpt #: 18 total cpu time spent up to now is 16.6 secs Computing kpt #: 19 total cpu time spent up to now is 17.6 secs Computing kpt #: 20 total cpu time spent up to now is 18.6 secs Computing kpt #: 21 total cpu time spent up to now is 19.5 secs Computing kpt #: 22 total cpu time spent up to now is 20.5 secs Computing kpt #: 23 total cpu time spent up to now is 21.4 secs Computing kpt #: 24 total cpu time spent up to now is 22.4 secs Computing kpt #: 25 total cpu time spent up to now is 23.3 secs Computing kpt #: 26 total cpu time spent up to now is 24.2 secs Computing kpt #: 27 total cpu time spent up to now is 25.0 secs Computing kpt #: 28 total cpu time spent up to now is 25.8 secs Computing kpt #: 29 total cpu time spent up to now is 26.6 secs Computing kpt #: 30 total cpu time spent up to now is 27.4 secs Computing kpt #: 31 total cpu time spent up to now is 28.2 secs Computing kpt #: 32 total cpu time spent up to now is 29.0 secs Computing kpt #: 33 total cpu time spent up to now is 29.8 secs Computing kpt #: 34 total cpu time spent up to now is 30.6 secs Computing kpt #: 35 total cpu time spent up to now is 31.4 secs Computing kpt #: 36 total cpu time spent up to now is 32.1 secs Computing kpt #: 37 total cpu time spent up to now is 32.9 secs Computing kpt #: 38 total cpu time spent up to now is 33.7 secs Computing kpt #: 39 total cpu time spent up to now is 34.5 secs Computing kpt #: 40 total cpu time spent up to now is 35.3 secs Computing kpt #: 41 total cpu time spent up to now is 36.1 secs Computing kpt #: 42 total cpu time spent up to now is 36.9 secs Computing kpt #: 43 total cpu time spent up to now is 37.7 secs Computing kpt #: 44 total cpu time spent up to now is 38.5 secs Computing kpt #: 45 total cpu time spent up to now is 39.2 secs Computing kpt #: 46 total cpu time spent up to now is 40.0 secs Computing kpt #: 47 total cpu time spent up to now is 40.8 secs Computing kpt #: 48 total cpu time spent up to now is 41.6 secs Computing kpt #: 49 total cpu time spent up to now is 42.4 secs Computing kpt #: 50 total cpu time spent up to now is 43.2 secs Computing kpt #: 51 total cpu time spent up to now is 44.0 secs Computing kpt #: 52 total cpu time spent up to now is 44.8 secs Computing kpt #: 53 total cpu time spent up to now is 45.6 secs Computing kpt #: 54 total cpu time spent up to now is 46.5 secs Computing kpt #: 55 total cpu time spent up to now is 47.4 secs Computing kpt #: 56 total cpu time spent up to now is 48.2 secs Computing kpt #: 57 total cpu time spent up to now is 49.1 secs Computing kpt #: 58 total cpu time spent up to now is 50.1 secs Computing kpt #: 59 total cpu time spent up to now is 51.0 secs Computing kpt #: 60 total cpu time spent up to now is 51.9 secs Computing kpt #: 61 total cpu time spent up to now is 52.8 secs Computing kpt #: 62 total cpu time spent up to now is 53.8 secs Computing kpt #: 63 total cpu time spent up to now is 54.7 secs Computing kpt #: 64 total cpu time spent up to now is 55.6 secs Computing kpt #: 65 total cpu time spent up to now is 56.6 secs Computing kpt #: 66 total cpu time spent up to now is 57.5 secs Computing kpt #: 67 total cpu time spent up to now is 58.4 secs Computing kpt #: 68 total cpu time spent up to now is 59.2 secs Computing kpt #: 69 total cpu time spent up to now is 60.0 secs Computing kpt #: 70 total cpu time spent up to now is 60.8 secs Computing kpt #: 71 total cpu time spent up to now is 61.6 secs Computing kpt #: 72 total cpu time spent up to now is 62.4 secs Computing kpt #: 73 total cpu time spent up to now is 63.2 secs Computing kpt #: 74 total cpu time spent up to now is 63.9 secs Computing kpt #: 75 total cpu time spent up to now is 64.7 secs Computing kpt #: 76 total cpu time spent up to now is 65.5 secs Computing kpt #: 77 total cpu time spent up to now is 66.3 secs Computing kpt #: 78 total cpu time spent up to now is 67.0 secs Computing kpt #: 79 total cpu time spent up to now is 67.8 secs Computing kpt #: 80 total cpu time spent up to now is 68.6 secs Computing kpt #: 81 total cpu time spent up to now is 69.3 secs Computing kpt #: 82 total cpu time spent up to now is 70.2 secs Computing kpt #: 83 total cpu time spent up to now is 71.1 secs Computing kpt #: 84 total cpu time spent up to now is 72.0 secs Computing kpt #: 85 total cpu time spent up to now is 72.9 secs Computing kpt #: 86 total cpu time spent up to now is 73.8 secs Computing kpt #: 87 total cpu time spent up to now is 74.8 secs Computing kpt #: 88 total cpu time spent up to now is 75.7 secs Computing kpt #: 89 total cpu time spent up to now is 76.6 secs Computing kpt #: 90 total cpu time spent up to now is 77.6 secs Computing kpt #: 91 total cpu time spent up to now is 78.6 secs Computing kpt #: 92 total cpu time spent up to now is 79.5 secs Computing kpt #: 93 total cpu time spent up to now is 80.6 secs Computing kpt #: 94 total cpu time spent up to now is 81.9 secs Computing kpt #: 95 total cpu time spent up to now is 82.8 secs Computing kpt #: 96 total cpu time spent up to now is 83.8 secs Computing kpt #: 97 total cpu time spent up to now is 85.0 secs Computing kpt #: 98 total cpu time spent up to now is 86.2 secs Computing kpt #: 99 total cpu time spent up to now is 87.4 secs Computing kpt #: 100 total cpu time spent up to now is 88.4 secs Computing kpt #: 101 total cpu time spent up to now is 89.4 secs Computing kpt #: 102 total cpu time spent up to now is 90.2 secs Computing kpt #: 103 total cpu time spent up to now is 91.1 secs Computing kpt #: 104 total cpu time spent up to now is 92.0 secs Computing kpt #: 105 total cpu time spent up to now is 92.9 secs Computing kpt #: 106 total cpu time spent up to now is 93.8 secs Computing kpt #: 107 total cpu time spent up to now is 94.7 secs Computing kpt #: 108 total cpu time spent up to now is 95.6 secs Computing kpt #: 109 total cpu time spent up to now is 96.5 secs Computing kpt #: 110 total cpu time spent up to now is 97.3 secs Computing kpt #: 111 total cpu time spent up to now is 98.2 secs Computing kpt #: 112 total cpu time spent up to now is 99.0 secs Computing kpt #: 113 total cpu time spent up to now is 99.8 secs Computing kpt #: 114 total cpu time spent up to now is 100.7 secs Computing kpt #: 115 total cpu time spent up to now is 101.5 secs Computing kpt #: 116 total cpu time spent up to now is 102.2 secs Computing kpt #: 117 total cpu time spent up to now is 103.0 secs Computing kpt #: 118 total cpu time spent up to now is 103.8 secs Computing kpt #: 119 total cpu time spent up to now is 104.5 secs Computing kpt #: 120 total cpu time spent up to now is 105.3 secs Computing kpt #: 121 total cpu time spent up to now is 106.1 secs Computing kpt #: 122 total cpu time spent up to now is 106.8 secs Computing kpt #: 123 total cpu time spent up to now is 107.6 secs Computing kpt #: 124 total cpu time spent up to now is 108.4 secs Computing kpt #: 125 total cpu time spent up to now is 109.1 secs Computing kpt #: 126 total cpu time spent up to now is 109.9 secs Computing kpt #: 127 total cpu time spent up to now is 110.6 secs Computing kpt #: 128 total cpu time spent up to now is 111.4 secs Computing kpt #: 129 total cpu time spent up to now is 112.1 secs Computing kpt #: 130 total cpu time spent up to now is 112.9 secs Computing kpt #: 131 total cpu time spent up to now is 113.6 secs Computing kpt #: 132 total cpu time spent up to now is 114.4 secs Computing kpt #: 133 total cpu time spent up to now is 115.2 secs Computing kpt #: 134 total cpu time spent up to now is 115.9 secs Computing kpt #: 135 total cpu time spent up to now is 116.7 secs Computing kpt #: 136 total cpu time spent up to now is 117.6 secs Computing kpt #: 137 total cpu time spent up to now is 118.5 secs Computing kpt #: 138 total cpu time spent up to now is 119.4 secs Computing kpt #: 139 total cpu time spent up to now is 120.1 secs Computing kpt #: 140 total cpu time spent up to now is 121.0 secs Computing kpt #: 141 total cpu time spent up to now is 121.6 secs Computing kpt #: 142 total cpu time spent up to now is 122.3 secs Computing kpt #: 143 total cpu time spent up to now is 123.0 secs Computing kpt #: 144 total cpu time spent up to now is 123.8 secs Computing kpt #: 145 total cpu time spent up to now is 124.5 secs Computing kpt #: 146 total cpu time spent up to now is 125.4 secs Computing kpt #: 147 total cpu time spent up to now is 126.3 secs Computing kpt #: 148 total cpu time spent up to now is 127.3 secs Computing kpt #: 149 total cpu time spent up to now is 128.5 secs Computing kpt #: 150 total cpu time spent up to now is 129.6 secs Computing kpt #: 151 total cpu time spent up to now is 130.6 secs Computing kpt #: 152 total cpu time spent up to now is 131.6 secs Computing kpt #: 153 total cpu time spent up to now is 132.5 secs Computing kpt #: 154 total cpu time spent up to now is 133.3 secs Computing kpt #: 155 total cpu time spent up to now is 134.1 secs Computing kpt #: 156 total cpu time spent up to now is 134.9 secs Computing kpt #: 157 total cpu time spent up to now is 135.7 secs Computing kpt #: 158 total cpu time spent up to now is 136.5 secs Computing kpt #: 159 total cpu time spent up to now is 137.3 secs Computing kpt #: 160 total cpu time spent up to now is 138.1 secs Computing kpt #: 161 total cpu time spent up to now is 138.9 secs Computing kpt #: 162 total cpu time spent up to now is 139.7 secs Computing kpt #: 163 total cpu time spent up to now is 140.5 secs Computing kpt #: 164 total cpu time spent up to now is 141.2 secs Computing kpt #: 165 total cpu time spent up to now is 142.1 secs Computing kpt #: 166 total cpu time spent up to now is 142.9 secs Computing kpt #: 167 total cpu time spent up to now is 143.7 secs Computing kpt #: 168 total cpu time spent up to now is 144.4 secs Computing kpt #: 169 total cpu time spent up to now is 145.2 secs Computing kpt #: 170 total cpu time spent up to now is 146.0 secs Computing kpt #: 171 total cpu time spent up to now is 146.8 secs Computing kpt #: 172 total cpu time spent up to now is 147.6 secs Computing kpt #: 173 total cpu time spent up to now is 148.6 secs Computing kpt #: 174 total cpu time spent up to now is 149.4 secs Computing kpt #: 175 total cpu time spent up to now is 150.3 secs Computing kpt #: 176 total cpu time spent up to now is 151.1 secs Computing kpt #: 177 total cpu time spent up to now is 151.9 secs Computing kpt #: 178 total cpu time spent up to now is 152.7 secs Computing kpt #: 179 total cpu time spent up to now is 153.5 secs Computing kpt #: 180 total cpu time spent up to now is 154.2 secs Computing kpt #: 181 total cpu time spent up to now is 155.0 secs Computing kpt #: 182 total cpu time spent up to now is 155.8 secs Computing kpt #: 183 total cpu time spent up to now is 156.5 secs Computing kpt #: 184 total cpu time spent up to now is 157.2 secs Computing kpt #: 185 total cpu time spent up to now is 158.0 secs Computing kpt #: 186 total cpu time spent up to now is 158.7 secs Computing kpt #: 187 total cpu time spent up to now is 159.4 secs Computing kpt #: 188 total cpu time spent up to now is 160.1 secs Computing kpt #: 189 total cpu time spent up to now is 160.8 secs Computing kpt #: 190 total cpu time spent up to now is 161.5 secs Computing kpt #: 191 total cpu time spent up to now is 162.2 secs Computing kpt #: 192 total cpu time spent up to now is 162.9 secs Computing kpt #: 193 total cpu time spent up to now is 163.6 secs Computing kpt #: 194 total cpu time spent up to now is 164.3 secs Computing kpt #: 195 total cpu time spent up to now is 165.0 secs Computing kpt #: 196 total cpu time spent up to now is 165.7 secs Computing kpt #: 197 total cpu time spent up to now is 166.4 secs Computing kpt #: 198 total cpu time spent up to now is 167.1 secs Computing kpt #: 199 total cpu time spent up to now is 167.9 secs Computing kpt #: 200 total cpu time spent up to now is 168.7 secs Computing kpt #: 201 total cpu time spent up to now is 169.5 secs Computing kpt #: 202 total cpu time spent up to now is 170.4 secs Computing kpt #: 203 total cpu time spent up to now is 171.3 secs Computing kpt #: 204 total cpu time spent up to now is 172.2 secs Computing kpt #: 205 total cpu time spent up to now is 173.0 secs Computing kpt #: 206 total cpu time spent up to now is 173.8 secs Computing kpt #: 207 total cpu time spent up to now is 174.6 secs Computing kpt #: 208 total cpu time spent up to now is 175.4 secs Computing kpt #: 209 total cpu time spent up to now is 176.1 secs Computing kpt #: 210 total cpu time spent up to now is 176.9 secs Computing kpt #: 211 total cpu time spent up to now is 177.7 secs Computing kpt #: 212 total cpu time spent up to now is 178.5 secs Computing kpt #: 213 total cpu time spent up to now is 179.3 secs Computing kpt #: 214 total cpu time spent up to now is 180.1 secs Computing kpt #: 215 total cpu time spent up to now is 180.9 secs Computing kpt #: 216 total cpu time spent up to now is 181.7 secs Computing kpt #: 217 total cpu time spent up to now is 182.7 secs Computing kpt #: 218 total cpu time spent up to now is 183.6 secs Computing kpt #: 219 total cpu time spent up to now is 184.7 secs Computing kpt #: 220 total cpu time spent up to now is 186.0 secs Computing kpt #: 221 total cpu time spent up to now is 186.9 secs Computing kpt #: 222 total cpu time spent up to now is 187.7 secs Computing kpt #: 223 total cpu time spent up to now is 188.5 secs Computing kpt #: 224 total cpu time spent up to now is 189.3 secs Computing kpt #: 225 total cpu time spent up to now is 190.1 secs Computing kpt #: 226 total cpu time spent up to now is 190.9 secs Computing kpt #: 227 total cpu time spent up to now is 191.7 secs Computing kpt #: 228 total cpu time spent up to now is 192.5 secs Computing kpt #: 229 total cpu time spent up to now is 193.3 secs Computing kpt #: 230 total cpu time spent up to now is 194.1 secs Computing kpt #: 231 total cpu time spent up to now is 194.9 secs Computing kpt #: 232 total cpu time spent up to now is 195.6 secs Computing kpt #: 233 total cpu time spent up to now is 196.4 secs Computing kpt #: 234 total cpu time spent up to now is 197.1 secs Computing kpt #: 235 total cpu time spent up to now is 197.9 secs Computing kpt #: 236 total cpu time spent up to now is 198.7 secs Computing kpt #: 237 total cpu time spent up to now is 199.4 secs Computing kpt #: 238 total cpu time spent up to now is 200.2 secs Computing kpt #: 239 total cpu time spent up to now is 201.0 secs Computing kpt #: 240 total cpu time spent up to now is 202.0 secs Computing kpt #: 241 total cpu time spent up to now is 202.9 secs Computing kpt #: 242 total cpu time spent up to now is 203.7 secs Computing kpt #: 243 total cpu time spent up to now is 204.5 secs Computing kpt #: 244 total cpu time spent up to now is 205.3 secs Computing kpt #: 245 total cpu time spent up to now is 206.1 secs Computing kpt #: 246 total cpu time spent up to now is 206.9 secs Computing kpt #: 247 total cpu time spent up to now is 207.7 secs Computing kpt #: 248 total cpu time spent up to now is 208.5 secs Computing kpt #: 249 total cpu time spent up to now is 209.3 secs Computing kpt #: 250 total cpu time spent up to now is 210.1 secs Computing kpt #: 251 total cpu time spent up to now is 210.9 secs Computing kpt #: 252 total cpu time spent up to now is 211.7 secs Computing kpt #: 253 total cpu time spent up to now is 212.5 secs Computing kpt #: 254 total cpu time spent up to now is 213.2 secs Computing kpt #: 255 total cpu time spent up to now is 214.0 secs Computing kpt #: 256 total cpu time spent up to now is 214.7 secs Computing kpt #: 257 total cpu time spent up to now is 215.5 secs Computing kpt #: 258 total cpu time spent up to now is 216.2 secs Computing kpt #: 259 total cpu time spent up to now is 216.9 secs Computing kpt #: 260 total cpu time spent up to now is 217.7 secs Computing kpt #: 261 total cpu time spent up to now is 218.4 secs Computing kpt #: 262 total cpu time spent up to now is 219.1 secs Computing kpt #: 263 total cpu time spent up to now is 219.9 secs Computing kpt #: 264 total cpu time spent up to now is 220.6 secs Computing kpt #: 265 total cpu time spent up to now is 221.3 secs Computing kpt #: 266 total cpu time spent up to now is 222.0 secs Computing kpt #: 267 total cpu time spent up to now is 222.8 secs Computing kpt #: 268 total cpu time spent up to now is 223.5 secs Computing kpt #: 269 total cpu time spent up to now is 224.4 secs Computing kpt #: 270 total cpu time spent up to now is 225.3 secs Computing kpt #: 271 total cpu time spent up to now is 226.2 secs Computing kpt #: 272 total cpu time spent up to now is 227.1 secs Computing kpt #: 273 total cpu time spent up to now is 227.9 secs Computing kpt #: 274 total cpu time spent up to now is 228.6 secs Computing kpt #: 275 total cpu time spent up to now is 229.4 secs Computing kpt #: 276 total cpu time spent up to now is 230.2 secs Computing kpt #: 277 total cpu time spent up to now is 230.9 secs Computing kpt #: 278 total cpu time spent up to now is 231.7 secs Computing kpt #: 279 total cpu time spent up to now is 232.5 secs Computing kpt #: 280 total cpu time spent up to now is 233.2 secs Computing kpt #: 281 total cpu time spent up to now is 234.0 secs Computing kpt #: 282 total cpu time spent up to now is 234.7 secs Computing kpt #: 283 total cpu time spent up to now is 235.5 secs Computing kpt #: 284 total cpu time spent up to now is 236.3 secs Computing kpt #: 285 total cpu time spent up to now is 237.1 secs Computing kpt #: 286 total cpu time spent up to now is 238.0 secs Computing kpt #: 287 total cpu time spent up to now is 238.9 secs Computing kpt #: 288 total cpu time spent up to now is 239.8 secs Computing kpt #: 289 total cpu time spent up to now is 240.7 secs Computing kpt #: 290 total cpu time spent up to now is 241.6 secs Computing kpt #: 291 total cpu time spent up to now is 242.5 secs Computing kpt #: 292 total cpu time spent up to now is 243.5 secs Computing kpt #: 293 total cpu time spent up to now is 244.5 secs Computing kpt #: 294 total cpu time spent up to now is 245.6 secs Computing kpt #: 295 total cpu time spent up to now is 246.5 secs Computing kpt #: 296 total cpu time spent up to now is 247.4 secs Computing kpt #: 297 total cpu time spent up to now is 248.3 secs Computing kpt #: 298 total cpu time spent up to now is 249.3 secs Computing kpt #: 299 total cpu time spent up to now is 250.2 secs Computing kpt #: 300 total cpu time spent up to now is 251.1 secs Computing kpt #: 301 total cpu time spent up to now is 252.0 secs Computing kpt #: 302 total cpu time spent up to now is 252.9 secs Computing kpt #: 303 total cpu time spent up to now is 253.8 secs Computing kpt #: 304 total cpu time spent up to now is 254.8 secs Computing kpt #: 305 total cpu time spent up to now is 255.7 secs Computing kpt #: 306 total cpu time spent up to now is 256.6 secs Computing kpt #: 307 total cpu time spent up to now is 257.6 secs Computing kpt #: 308 total cpu time spent up to now is 258.5 secs Computing kpt #: 309 total cpu time spent up to now is 259.5 secs Computing kpt #: 310 total cpu time spent up to now is 260.4 secs Computing kpt #: 311 total cpu time spent up to now is 261.3 secs Computing kpt #: 312 total cpu time spent up to now is 262.2 secs Computing kpt #: 313 total cpu time spent up to now is 263.2 secs Computing kpt #: 314 total cpu time spent up to now is 264.1 secs Computing kpt #: 315 total cpu time spent up to now is 265.0 secs Computing kpt #: 316 total cpu time spent up to now is 265.9 secs Computing kpt #: 317 total cpu time spent up to now is 266.7 secs Computing kpt #: 318 total cpu time spent up to now is 267.4 secs Computing kpt #: 319 total cpu time spent up to now is 268.2 secs Computing kpt #: 320 total cpu time spent up to now is 269.0 secs Computing kpt #: 321 total cpu time spent up to now is 269.8 secs Computing kpt #: 322 total cpu time spent up to now is 270.6 secs Computing kpt #: 323 total cpu time spent up to now is 271.4 secs Computing kpt #: 324 total cpu time spent up to now is 272.2 secs Computing kpt #: 325 total cpu time spent up to now is 273.0 secs Computing kpt #: 326 total cpu time spent up to now is 273.7 secs Computing kpt #: 327 total cpu time spent up to now is 274.5 secs Computing kpt #: 328 total cpu time spent up to now is 275.2 secs Computing kpt #: 329 total cpu time spent up to now is 276.0 secs Computing kpt #: 330 total cpu time spent up to now is 276.8 secs Computing kpt #: 331 total cpu time spent up to now is 277.7 secs Computing kpt #: 332 total cpu time spent up to now is 278.6 secs Computing kpt #: 333 total cpu time spent up to now is 279.6 secs Computing kpt #: 334 total cpu time spent up to now is 280.5 secs Computing kpt #: 335 total cpu time spent up to now is 281.3 secs Computing kpt #: 336 total cpu time spent up to now is 282.1 secs Computing kpt #: 337 total cpu time spent up to now is 282.9 secs Computing kpt #: 338 total cpu time spent up to now is 283.7 secs Computing kpt #: 339 total cpu time spent up to now is 284.5 secs Computing kpt #: 340 total cpu time spent up to now is 285.3 secs Computing kpt #: 341 total cpu time spent up to now is 286.1 secs Computing kpt #: 342 total cpu time spent up to now is 286.9 secs Computing kpt #: 343 total cpu time spent up to now is 287.7 secs Computing kpt #: 344 total cpu time spent up to now is 288.6 secs Computing kpt #: 345 total cpu time spent up to now is 289.4 secs Computing kpt #: 346 total cpu time spent up to now is 290.2 secs Computing kpt #: 347 total cpu time spent up to now is 291.0 secs Computing kpt #: 348 total cpu time spent up to now is 291.8 secs Computing kpt #: 349 total cpu time spent up to now is 292.5 secs Computing kpt #: 350 total cpu time spent up to now is 293.3 secs Computing kpt #: 351 total cpu time spent up to now is 294.1 secs Computing kpt #: 352 total cpu time spent up to now is 294.9 secs Computing kpt #: 353 total cpu time spent up to now is 295.6 secs Computing kpt #: 354 total cpu time spent up to now is 296.4 secs Computing kpt #: 355 total cpu time spent up to now is 297.2 secs Computing kpt #: 356 total cpu time spent up to now is 298.0 secs Computing kpt #: 357 total cpu time spent up to now is 298.8 secs Computing kpt #: 358 total cpu time spent up to now is 299.6 secs Computing kpt #: 359 total cpu time spent up to now is 300.4 secs Computing kpt #: 360 total cpu time spent up to now is 301.2 secs Computing kpt #: 361 total cpu time spent up to now is 302.0 secs Computing kpt #: 362 total cpu time spent up to now is 302.8 secs Computing kpt #: 363 total cpu time spent up to now is 303.6 secs Computing kpt #: 364 total cpu time spent up to now is 304.4 secs Computing kpt #: 365 total cpu time spent up to now is 305.2 secs Computing kpt #: 366 total cpu time spent up to now is 305.9 secs Computing kpt #: 367 total cpu time spent up to now is 306.7 secs Computing kpt #: 368 total cpu time spent up to now is 307.4 secs Computing kpt #: 369 total cpu time spent up to now is 308.2 secs Computing kpt #: 370 total cpu time spent up to now is 309.0 secs Computing kpt #: 371 total cpu time spent up to now is 309.8 secs Computing kpt #: 372 total cpu time spent up to now is 310.6 secs Computing kpt #: 373 total cpu time spent up to now is 311.3 secs Computing kpt #: 374 total cpu time spent up to now is 312.1 secs Computing kpt #: 375 total cpu time spent up to now is 312.9 secs Computing kpt #: 376 total cpu time spent up to now is 313.8 secs Computing kpt #: 377 total cpu time spent up to now is 314.7 secs Computing kpt #: 378 total cpu time spent up to now is 315.6 secs ethr = 2.63E-08, avg # of iterations = 20.2 total cpu time spent up to now is 315.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13573 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1297 -6.1297 -6.1080 -6.1080 -6.1030 -6.1030 -4.2909 -4.2909 -4.1545 -4.1545 -3.9250 -3.9250 -3.8500 -3.8500 -3.7049 -3.7049 -3.6928 -3.6928 -2.0874 -2.0874 2.8081 2.8081 4.8243 4.8243 5.7459 5.7459 6.3073 6.3073 7.8295 7.8295 8.0503 8.0503 9.1092 9.1092 9.3959 9.3959 k = 0.0075 0.0158-0.0000 ( 13569 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1297 -6.1297 -6.1080 -6.1080 -6.1030 -6.1030 -4.2909 -4.2909 -4.1545 -4.1545 -3.9250 -3.9250 -3.8500 -3.8500 -3.7048 -3.7048 -3.6928 -3.6928 -2.0866 -2.0866 2.8082 2.8082 4.8254 4.8254 5.7422 5.7422 6.3021 6.3021 7.8161 7.8161 8.0497 8.0497 9.1208 9.1208 9.4144 9.4144 k = 0.0149 0.0316-0.0000 ( 13577 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1296 -6.1296 -6.1080 -6.1080 -6.1031 -6.1031 -4.2908 -4.2908 -4.1546 -4.1546 -3.9249 -3.9249 -3.8498 -3.8498 -3.7048 -3.7048 -3.6928 -3.6928 -2.0843 -2.0843 2.8085 2.8085 4.8288 4.8288 5.7306 5.7306 6.2878 6.2878 7.7774 7.7774 8.0481 8.0481 9.1559 9.1559 9.4676 9.4676 k = 0.0224 0.0473-0.0000 ( 13579 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1294 -6.1294 -6.1079 -6.1079 -6.1031 -6.1031 -4.2908 -4.2908 -4.1547 -4.1547 -3.9248 -3.9248 -3.8495 -3.8495 -3.7048 -3.7048 -3.6928 -3.6928 -2.0804 -2.0804 2.8090 2.8090 4.8343 4.8343 5.7101 5.7101 6.2667 6.2667 7.7177 7.7177 8.0454 8.0454 9.2144 9.2144 9.5498 9.5498 k = 0.0298 0.0631-0.0000 ( 13569 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1292 -6.1292 -6.1079 -6.1079 -6.1032 -6.1032 -4.2907 -4.2907 -4.1550 -4.1550 -3.9246 -3.9246 -3.8490 -3.8490 -3.7047 -3.7047 -3.6929 -3.6929 -2.0750 -2.0750 2.8096 2.8096 4.8419 4.8419 5.6792 5.6792 6.2427 6.2427 7.6421 7.6421 8.0421 8.0421 9.2949 9.2949 9.6546 9.6546 k = 0.0373 0.0789-0.0000 ( 13565 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2861 -6.2861 -6.1290 -6.1290 -6.1078 -6.1078 -6.1033 -6.1033 -4.2907 -4.2907 -4.1552 -4.1552 -3.9244 -3.9244 -3.8485 -3.8485 -3.7046 -3.7046 -3.6929 -3.6929 -2.0681 -2.0681 2.8103 2.8103 4.8512 4.8512 5.6367 5.6367 6.2196 6.2196 7.5554 7.5554 8.0385 8.0385 9.3953 9.3953 9.7767 9.7767 k = 0.0448 0.0947-0.0000 ( 13579 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9575 -39.9575 -6.2861 -6.2861 -6.1287 -6.1287 -6.1078 -6.1078 -6.1035 -6.1035 -4.2906 -4.2906 -4.1556 -4.1556 -3.9241 -3.9241 -3.8478 -3.8478 -3.7045 -3.7045 -3.6930 -3.6930 -2.0597 -2.0597 2.8109 2.8109 4.8618 4.8618 5.5823 5.5823 6.2006 6.2006 7.4616 7.4616 8.0347 8.0347 9.5127 9.5127 9.9120 9.9120 k = 0.0522 0.1104-0.0000 ( 13581 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9575 -39.9575 -6.2860 -6.2860 -6.1283 -6.1283 -6.1077 -6.1077 -6.1036 -6.1036 -4.2905 -4.2905 -4.1560 -4.1560 -3.9237 -3.9237 -3.8470 -3.8470 -3.7044 -3.7044 -3.6931 -3.6931 -2.0499 -2.0499 2.8114 2.8114 4.8731 4.8731 5.5171 5.5171 6.1876 6.1876 7.3641 7.3641 8.0309 8.0309 9.6444 9.6444 10.0573 10.0573 k = 0.0597 0.1262-0.0000 ( 13575 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9606 -39.9606 -39.9575 -39.9575 -6.2859 -6.2859 -6.1279 -6.1279 -6.1076 -6.1076 -6.1038 -6.1038 -4.2903 -4.2903 -4.1564 -4.1564 -3.9234 -3.9234 -3.8462 -3.8462 -3.7042 -3.7042 -3.6931 -3.6931 -2.0386 -2.0386 2.8116 2.8116 4.8839 4.8839 5.4439 5.4439 6.1810 6.1810 7.2651 7.2651 8.0272 8.0272 9.7880 9.7880 10.2104 10.2104 k = 0.0672 0.1420-0.0000 ( 13569 PWs) bands (ev): -40.1710 -40.1710 -40.1621 -40.1621 -39.9606 -39.9606 -39.9576 -39.9576 -6.2858 -6.2858 -6.1274 -6.1274 -6.1075 -6.1075 -6.1040 -6.1040 -4.2902 -4.2902 -4.1569 -4.1569 -3.9229 -3.9229 -3.8452 -3.8452 -3.7041 -3.7041 -3.6932 -3.6932 -2.0260 -2.0260 2.8114 2.8114 4.8918 4.8918 5.3670 5.3670 6.1803 6.1803 7.1665 7.1665 8.0234 8.0234 9.9412 9.9412 10.3692 10.3692 k = 0.0746 0.1578-0.0000 ( 13565 PWs) bands (ev): -40.1710 -40.1710 -40.1621 -40.1621 -39.9606 -39.9606 -39.9576 -39.9576 -6.2857 -6.2857 -6.1269 -6.1269 -6.1074 -6.1074 -6.1041 -6.1041 -4.2900 -4.2900 -4.1574 -4.1574 -3.9225 -3.9225 -3.8442 -3.8442 -3.7039 -3.7039 -3.6933 -3.6933 -2.0121 -2.0121 2.8107 2.8107 4.8928 4.8928 5.2927 5.2927 6.1848 6.1848 7.0701 7.0701 8.0196 8.0196 10.1019 10.1019 10.5320 10.5320 k = 0.0821 0.1735-0.0000 ( 13555 PWs) bands (ev): -40.1710 -40.1710 -40.1621 -40.1621 -39.9606 -39.9606 -39.9576 -39.9576 -6.2856 -6.2856 -6.1264 -6.1264 -6.1073 -6.1073 -6.1043 -6.1043 -4.2899 -4.2899 -4.1580 -4.1580 -3.9220 -3.9220 -3.8431 -3.8431 -3.7037 -3.7037 -3.6934 -3.6934 -1.9969 -1.9969 2.8092 2.8092 4.8793 4.8793 5.2305 5.2305 6.1937 6.1937 6.9769 6.9769 8.0157 8.0157 10.2681 10.2681 10.6960 10.6960 k = 0.0895 0.1893-0.0000 ( 13549 PWs) bands (ev): -40.1710 -40.1710 -40.1621 -40.1621 -39.9605 -39.9605 -39.9577 -39.9577 -6.2855 -6.2855 -6.1258 -6.1258 -6.1072 -6.1072 -6.1045 -6.1045 -4.2897 -4.2897 -4.1586 -4.1586 -3.9215 -3.9215 -3.8419 -3.8419 -3.7036 -3.7036 -3.6935 -3.6935 -1.9805 -1.9805 2.8068 2.8068 4.8425 4.8425 5.1906 5.1906 6.2059 6.2059 6.8883 6.8883 8.0117 8.0117 10.4376 10.4376 10.8536 10.8536 k = 0.0970 0.2051-0.0000 ( 13535 PWs) bands (ev): -40.1710 -40.1710 -40.1621 -40.1621 -39.9605 -39.9605 -39.9577 -39.9577 -6.2854 -6.2854 -6.1252 -6.1252 -6.1072 -6.1072 -6.1047 -6.1047 -4.2895 -4.2895 -4.1592 -4.1592 -3.9209 -3.9209 -3.8407 -3.8407 -3.7034 -3.7034 -3.6936 -3.6936 -1.9630 -1.9630 2.8032 2.8032 4.7803 4.7803 5.1767 5.1767 6.2206 6.2206 6.8054 6.8054 8.0074 8.0074 10.6067 10.6067 10.9626 10.9626 k = 0.1045 0.2209-0.0000 ( 13529 PWs) bands (ev): -40.1709 -40.1709 -40.1621 -40.1621 -39.9604 -39.9604 -39.9578 -39.9578 -6.2853 -6.2853 -6.1245 -6.1245 -6.1072 -6.1072 -6.1048 -6.1048 -4.2893 -4.2893 -4.1598 -4.1598 -3.9204 -3.9204 -3.8394 -3.8394 -3.7032 -3.7032 -3.6936 -3.6936 -1.9445 -1.9445 2.7982 2.7982 4.6995 4.6995 5.1827 5.1827 6.2368 6.2368 6.7296 6.7296 8.0028 8.0028 10.7639 10.7639 10.9532 10.9532 k = 0.1119 0.2366-0.0000 ( 13529 PWs) bands (ev): -40.1709 -40.1709 -40.1621 -40.1621 -39.9604 -39.9604 -39.9579 -39.9579 -6.2852 -6.2852 -6.1239 -6.1239 -6.1072 -6.1072 -6.1049 -6.1049 -4.2891 -4.2891 -4.1605 -4.1605 -3.9198 -3.9198 -3.8381 -3.8381 -3.7031 -3.7031 -3.6937 -3.6937 -1.9250 -1.9250 2.7916 2.7916 4.6086 4.6086 5.2011 5.2011 6.2531 6.2531 6.6627 6.6627 7.9979 7.9979 10.8234 10.8234 10.9890 10.9890 k = 0.1194 0.2524-0.0000 ( 13533 PWs) bands (ev): -40.1709 -40.1709 -40.1621 -40.1621 -39.9604 -39.9604 -39.9579 -39.9579 -6.2850 -6.2850 -6.1232 -6.1232 -6.1073 -6.1073 -6.1050 -6.1050 -4.2888 -4.2888 -4.1612 -4.1612 -3.9192 -3.9192 -3.8368 -3.8368 -3.7030 -3.7030 -3.6937 -3.6937 -1.9047 -1.9047 2.7832 2.7832 4.5131 4.5131 5.2268 5.2268 6.2675 6.2675 6.6071 6.6071 7.9926 7.9926 10.7622 10.7622 11.1167 11.1167 k = 0.1269 0.2682-0.0000 ( 13535 PWs) bands (ev): -40.1709 -40.1709 -40.1621 -40.1621 -39.9603 -39.9603 -39.9580 -39.9580 -6.2849 -6.2849 -6.1226 -6.1226 -6.1074 -6.1074 -6.1050 -6.1050 -4.2886 -4.2886 -4.1619 -4.1619 -3.9186 -3.9186 -3.8354 -3.8354 -3.7028 -3.7028 -3.6937 -3.6937 -1.8837 -1.8837 2.7726 2.7726 4.4161 4.4161 5.2573 5.2573 6.2770 6.2770 6.5660 6.5660 7.9868 7.9868 10.6805 10.6805 11.1926 11.1926 k = 0.1343 0.2840-0.0000 ( 13535 PWs) bands (ev): -40.1709 -40.1709 -40.1621 -40.1621 -39.9603 -39.9603 -39.9581 -39.9581 -6.2847 -6.2847 -6.1219 -6.1219 -6.1076 -6.1076 -6.1050 -6.1050 -4.2883 -4.2883 -4.1625 -4.1625 -3.9180 -3.9180 -3.8341 -3.8341 -3.7028 -3.7028 -3.6937 -3.6937 -1.8620 -1.8620 2.7598 2.7598 4.3195 4.3195 5.2908 5.2908 6.2785 6.2785 6.5431 6.5431 7.9805 7.9805 10.5925 10.5925 11.1462 11.1462 k = 0.1418 0.2997-0.0000 ( 13527 PWs) bands (ev): -40.1708 -40.1708 -40.1621 -40.1621 -39.9602 -39.9602 -39.9581 -39.9581 -6.2846 -6.2846 -6.1212 -6.1212 -6.1078 -6.1078 -6.1049 -6.1049 -4.2880 -4.2880 -4.1632 -4.1632 -3.9174 -3.9174 -3.8328 -3.8328 -3.7027 -3.7027 -3.6937 -3.6937 -1.8399 -1.8399 2.7445 2.7445 4.2246 4.2246 5.3265 5.3265 6.2713 6.2713 6.5394 6.5394 7.9737 7.9737 10.5010 10.5010 11.0571 11.0571 k = 0.1492 0.3155-0.0000 ( 13525 PWs) bands (ev): -40.1708 -40.1708 -40.1621 -40.1621 -39.9602 -39.9602 -39.9582 -39.9582 -6.2845 -6.2845 -6.1206 -6.1206 -6.1080 -6.1080 -6.1048 -6.1048 -4.2877 -4.2877 -4.1639 -4.1639 -3.9168 -3.9168 -3.8315 -3.8315 -3.7027 -3.7027 -3.6937 -3.6937 -1.8174 -1.8174 2.7265 2.7265 4.1322 4.1322 5.3635 5.3635 6.2586 6.2586 6.5520 6.5520 7.9664 7.9664 10.4071 10.4071 10.9538 10.9538 k = 0.1567 0.3313-0.0000 ( 13517 PWs) bands (ev): -40.1708 -40.1708 -40.1621 -40.1621 -39.9601 -39.9601 -39.9583 -39.9583 -6.2843 -6.2843 -6.1199 -6.1199 -6.1082 -6.1082 -6.1048 -6.1048 -4.2874 -4.2874 -4.1645 -4.1645 -3.9161 -3.9161 -3.8303 -3.8303 -3.7027 -3.7027 -3.6936 -3.6936 -1.7947 -1.7947 2.7058 2.7058 4.0431 4.0431 5.4015 5.4015 6.2452 6.2452 6.5765 6.5765 7.9585 7.9585 10.3118 10.3118 10.8419 10.8419 k = 0.1642 0.3471-0.0000 ( 13519 PWs) bands (ev): -40.1707 -40.1707 -40.1621 -40.1621 -39.9601 -39.9601 -39.9583 -39.9583 -6.2841 -6.2841 -6.1193 -6.1193 -6.1084 -6.1084 -6.1047 -6.1047 -4.2871 -4.2871 -4.1651 -4.1651 -3.9155 -3.9155 -3.8291 -3.8291 -3.7028 -3.7028 -3.6935 -3.6935 -1.7720 -1.7720 2.6822 2.6822 3.9577 3.9577 5.4399 5.4399 6.2349 6.2349 6.6089 6.6089 7.9501 7.9501 10.2158 10.2158 10.7259 10.7259 k = 0.1716 0.3628-0.0000 ( 13513 PWs) bands (ev): -40.1707 -40.1707 -40.1621 -40.1621 -39.9600 -39.9600 -39.9584 -39.9584 -6.2840 -6.2840 -6.1187 -6.1187 -6.1086 -6.1086 -6.1046 -6.1046 -4.2868 -4.2868 -4.1657 -4.1657 -3.9149 -3.9149 -3.8280 -3.8280 -3.7029 -3.7029 -3.6934 -3.6934 -1.7493 -1.7493 2.6556 2.6556 3.8765 3.8765 5.4784 5.4784 6.2303 6.2303 6.6470 6.6470 7.9411 7.9411 10.1201 10.1201 10.6086 10.6086 k = 0.1791 0.3786-0.0000 ( 13511 PWs) bands (ev): -40.1707 -40.1707 -40.1621 -40.1621 -39.9599 -39.9599 -39.9585 -39.9585 -6.2838 -6.2838 -6.1181 -6.1181 -6.1087 -6.1087 -6.1045 -6.1045 -4.2865 -4.2865 -4.1663 -4.1663 -3.9144 -3.9144 -3.8270 -3.8270 -3.7030 -3.7030 -3.6932 -3.6932 -1.7270 -1.7270 2.6262 2.6262 3.7999 3.7999 5.5171 5.5171 6.2326 6.2326 6.6893 6.6893 7.9316 7.9316 10.0253 10.0253 10.4915 10.4915 k = 0.1865 0.3944-0.0000 ( 13513 PWs) bands (ev): -40.1707 -40.1707 -40.1621 -40.1621 -39.9599 -39.9599 -39.9586 -39.9586 -6.2837 -6.2837 -6.1176 -6.1176 -6.1089 -6.1089 -6.1044 -6.1044 -4.2862 -4.2862 -4.1668 -4.1668 -3.9138 -3.9138 -3.8260 -3.8260 -3.7032 -3.7032 -3.6931 -3.6931 -1.7051 -1.7051 2.5940 2.5940 3.7282 3.7282 5.5557 5.5557 6.2421 6.2421 6.7350 6.7350 7.9216 7.9216 9.9321 9.9321 10.3756 10.3756 k = 0.1940 0.4102-0.0000 ( 13515 PWs) bands (ev): -40.1706 -40.1706 -40.1621 -40.1621 -39.9598 -39.9598 -39.9587 -39.9587 -6.2835 -6.2835 -6.1172 -6.1172 -6.1090 -6.1090 -6.1043 -6.1043 -4.2859 -4.2859 -4.1673 -4.1673 -3.9133 -3.9133 -3.8251 -3.8251 -3.7034 -3.7034 -3.6929 -3.6929 -1.6838 -1.6838 2.5590 2.5590 3.6617 3.6617 5.5945 5.5945 6.2588 6.2588 6.7835 6.7835 7.9113 7.9113 9.8412 9.8412 10.2613 10.2613 k = 0.2015 0.4259-0.0000 ( 13511 PWs) bands (ev): -40.1706 -40.1706 -40.1621 -40.1621 -39.9597 -39.9597 -39.9587 -39.9587 -6.2834 -6.2834 -6.1168 -6.1168 -6.1090 -6.1090 -6.1042 -6.1042 -4.2855 -4.2855 -4.1677 -4.1677 -3.9127 -3.9127 -3.8243 -3.8243 -3.7037 -3.7037 -3.6927 -3.6927 -1.6632 -1.6632 2.5215 2.5215 3.6008 3.6008 5.6335 5.6335 6.2823 6.2823 6.8346 6.8346 7.9007 7.9007 9.7533 9.7533 10.1489 10.1489 k = 0.2089 0.4417-0.0000 ( 13507 PWs) bands (ev): -40.1706 -40.1706 -40.1621 -40.1621 -39.9597 -39.9597 -39.9588 -39.9588 -6.2832 -6.2832 -6.1165 -6.1165 -6.1091 -6.1091 -6.1041 -6.1041 -4.2852 -4.2852 -4.1681 -4.1681 -3.9122 -3.9122 -3.8236 -3.8236 -3.7040 -3.7040 -3.6925 -3.6925 -1.6437 -1.6437 2.4817 2.4817 3.5456 3.5456 5.6732 5.6732 6.3121 6.3121 6.8878 6.8878 7.8899 7.8899 9.6691 9.6691 10.0387 10.0387 k = 0.2164 0.4575-0.0000 ( 13523 PWs) bands (ev): -40.1706 -40.1706 -40.1621 -40.1621 -39.9596 -39.9596 -39.9589 -39.9589 -6.2831 -6.2831 -6.1162 -6.1162 -6.1090 -6.1090 -6.1041 -6.1041 -4.2848 -4.2848 -4.1684 -4.1684 -3.9118 -3.9118 -3.8230 -3.8230 -3.7044 -3.7044 -3.6923 -3.6923 -1.6252 -1.6252 2.4397 2.4397 3.4964 3.4964 5.7136 5.7136 6.3472 6.3472 6.9430 6.9430 7.8791 7.8791 9.5891 9.5891 9.9307 9.9307 k = 0.2239 0.4733-0.0000 ( 13539 PWs) bands (ev): -40.1706 -40.1706 -40.1621 -40.1621 -39.9595 -39.9595 -39.9590 -39.9590 -6.2829 -6.2829 -6.1160 -6.1160 -6.1090 -6.1090 -6.1041 -6.1041 -4.2845 -4.2845 -4.1687 -4.1687 -3.9113 -3.9113 -3.8225 -3.8225 -3.7048 -3.7048 -3.6921 -3.6921 -1.6080 -1.6080 2.3959 2.3959 3.4534 3.4534 5.7550 5.7550 6.3869 6.3869 6.9998 6.9998 7.8686 7.8686 9.5141 9.5141 9.8251 9.8251 k = 0.2313 0.4890-0.0000 ( 13543 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9595 -39.9595 -39.9591 -39.9591 -6.2828 -6.2828 -6.1158 -6.1158 -6.1089 -6.1089 -6.1041 -6.1041 -4.2841 -4.2841 -4.1689 -4.1689 -3.9109 -3.9109 -3.8222 -3.8222 -3.7052 -3.7052 -3.6919 -3.6919 -1.5922 -1.5922 2.3505 2.3505 3.4168 3.4168 5.7974 5.7974 6.4304 6.4304 7.0581 7.0581 7.8586 7.8586 9.4446 9.4446 9.7220 9.7220 k = 0.2388 0.5048-0.0000 ( 13542 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9594 -39.9594 -39.9592 -39.9592 -6.2826 -6.2826 -6.1157 -6.1157 -6.1087 -6.1087 -6.1040 -6.1040 -4.2838 -4.2838 -4.1691 -4.1691 -3.9105 -3.9105 -3.8219 -3.8219 -3.7057 -3.7057 -3.6916 -3.6916 -1.5780 -1.5780 2.3037 2.3037 3.3868 3.3868 5.8407 5.8407 6.4767 6.4767 7.1177 7.1177 7.8493 7.8493 9.3815 9.3815 9.6216 9.6216 k = 0.2462 0.5206-0.0000 ( 13546 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9593 -39.9593 -39.9592 -39.9592 -6.2825 -6.2825 -6.1156 -6.1156 -6.1086 -6.1086 -6.1041 -6.1041 -4.2834 -4.2834 -4.1692 -4.1692 -3.9101 -3.9101 -3.8218 -3.8218 -3.7062 -3.7062 -3.6914 -3.6914 -1.5654 -1.5654 2.2559 2.2559 3.3635 3.3635 5.8848 5.8848 6.5252 6.5252 7.1782 7.1782 7.8411 7.8411 9.3251 9.3251 9.5239 9.5239 k = 0.2537 0.5364-0.0000 ( 13544 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9593 -39.9593 -39.9592 -39.9592 -6.2824 -6.2824 -6.1156 -6.1156 -6.1084 -6.1084 -6.1041 -6.1041 -4.2831 -4.2831 -4.1692 -4.1692 -3.9098 -3.9098 -3.8217 -3.8217 -3.7068 -3.7068 -3.6913 -3.6913 -1.5545 -1.5545 2.2072 2.2072 3.3470 3.3470 5.9293 5.9293 6.5751 6.5751 7.2394 7.2394 7.8344 7.8344 9.2762 9.2762 9.4293 9.4293 k = 0.2612 0.5521-0.0000 ( 13544 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9594 -39.9594 -39.9591 -39.9591 -6.2822 -6.2822 -6.1155 -6.1155 -6.1083 -6.1083 -6.1041 -6.1041 -4.2827 -4.2827 -4.1692 -4.1692 -3.9095 -3.9095 -3.8218 -3.8218 -3.7073 -3.7073 -3.6911 -3.6911 -1.5454 -1.5454 2.1580 2.1580 3.3375 3.3375 5.9735 5.9735 6.6258 6.6258 7.3011 7.3011 7.8298 7.8298 9.2346 9.2346 9.3386 9.3386 k = 0.2686 0.5679-0.0000 ( 13538 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9595 -39.9595 -39.9591 -39.9591 -6.2821 -6.2821 -6.1155 -6.1155 -6.1081 -6.1081 -6.1042 -6.1042 -4.2824 -4.2824 -4.1691 -4.1691 -3.9092 -3.9092 -3.8220 -3.8220 -3.7079 -3.7079 -3.6909 -3.6909 -1.5382 -1.5382 2.1084 2.1084 3.3349 3.3349 6.0170 6.0170 6.6766 6.6766 7.3630 7.3630 7.8279 7.8279 9.1967 9.1967 9.2562 9.2562 k = 0.2761 0.5837-0.0000 ( 13546 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9596 -39.9596 -39.9590 -39.9590 -6.2820 -6.2820 -6.1156 -6.1156 -6.1080 -6.1080 -6.1043 -6.1043 -4.2820 -4.2820 -4.1689 -4.1689 -3.9090 -3.9090 -3.8224 -3.8224 -3.7086 -3.7086 -3.6908 -3.6908 -1.5329 -1.5329 2.0588 2.0588 3.3392 3.3392 6.0588 6.0588 6.7270 6.7270 7.4247 7.4247 7.8294 7.8294 9.1410 9.1410 9.2043 9.2043 k = 0.2835 0.5995-0.0000 ( 13538 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9596 -39.9596 -39.9589 -39.9589 -6.2819 -6.2819 -6.1156 -6.1156 -6.1078 -6.1078 -6.1044 -6.1044 -4.2817 -4.2817 -4.1687 -4.1687 -3.9088 -3.9088 -3.8228 -3.8228 -3.7092 -3.7092 -3.6906 -3.6906 -1.5293 -1.5293 2.0092 2.0092 3.3505 3.3505 6.0982 6.0982 6.7763 6.7763 7.4859 7.4859 7.8354 7.8354 9.0636 9.0636 9.1873 9.1873 k = 0.2910 0.6152-0.0000 ( 13554 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9597 -39.9597 -39.9588 -39.9588 -6.2818 -6.2818 -6.1156 -6.1156 -6.1077 -6.1077 -6.1045 -6.1045 -4.2813 -4.2813 -4.1684 -4.1684 -3.9087 -3.9087 -3.8233 -3.8233 -3.7099 -3.7099 -3.6905 -3.6905 -1.5276 -1.5276 1.9600 1.9600 3.3686 3.3686 6.1343 6.1343 6.8239 6.8239 7.5462 7.5462 7.8470 7.8470 8.9838 8.9838 9.1865 9.1865 k = 0.2985 0.6310-0.0000 ( 13554 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9598 -39.9598 -39.9587 -39.9587 -6.2816 -6.2816 -6.1156 -6.1156 -6.1076 -6.1076 -6.1046 -6.1046 -4.2810 -4.2810 -4.1681 -4.1681 -3.9086 -3.9086 -3.8240 -3.8240 -3.7106 -3.7106 -3.6904 -3.6904 -1.5276 -1.5276 1.9114 1.9114 3.3935 3.3935 6.1663 6.1663 6.8692 6.8692 7.6049 7.6049 7.8658 7.8658 8.9056 8.9056 9.1981 9.1981 k = 0.3059 0.6468-0.0000 ( 13544 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9598 -39.9598 -39.9587 -39.9587 -6.2815 -6.2815 -6.1156 -6.1156 -6.1076 -6.1076 -6.1047 -6.1047 -4.2806 -4.2806 -4.1678 -4.1678 -3.9085 -3.9085 -3.8247 -3.8247 -3.7113 -3.7113 -3.6903 -3.6903 -1.5293 -1.5293 1.8634 1.8634 3.4249 3.4249 6.1936 6.1936 6.9114 6.9114 7.6610 7.6610 7.8937 7.8937 8.8298 8.8298 9.2213 9.2213 k = 0.3059 0.6468-0.0000 ( 13544 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9598 -39.9598 -39.9587 -39.9587 -6.2815 -6.2815 -6.1156 -6.1156 -6.1076 -6.1076 -6.1047 -6.1047 -4.2806 -4.2806 -4.1678 -4.1678 -3.9085 -3.9085 -3.8247 -3.8247 -3.7113 -3.7113 -3.6903 -3.6903 -1.5293 -1.5293 1.8634 1.8634 3.4249 3.4249 6.1936 6.1936 6.9114 6.9114 7.6610 7.6610 7.8937 7.8937 8.8298 8.8298 9.2213 9.2213 k = 0.2889 0.6468-0.0000 ( 13552 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9598 -39.9598 -39.9587 -39.9587 -6.2816 -6.2816 -6.1156 -6.1156 -6.1076 -6.1076 -6.1047 -6.1047 -4.2808 -4.2808 -4.1679 -4.1679 -3.9085 -3.9085 -3.8244 -3.8244 -3.7110 -3.7110 -3.6903 -3.6903 -1.5287 -1.5287 1.8839 1.8839 3.4130 3.4130 6.1794 6.1794 6.8882 6.8882 7.6296 7.6296 7.8964 7.8964 8.8576 8.8576 9.2186 9.2186 k = 0.2719 0.6468-0.0000 ( 13551 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9598 -39.9598 -39.9587 -39.9587 -6.2816 -6.2816 -6.1156 -6.1156 -6.1077 -6.1077 -6.1045 -6.1045 -4.2810 -4.2810 -4.1681 -4.1681 -3.9086 -3.9086 -3.8241 -3.8241 -3.7106 -3.7106 -3.6904 -3.6904 -1.5289 -1.5289 1.9053 1.9053 3.4063 3.4063 6.1573 6.1573 6.8527 6.8527 7.5911 7.5911 7.9225 7.9225 8.8748 8.8748 9.2384 9.2384 k = 0.2549 0.6468-0.0000 ( 13542 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9598 -39.9598 -39.9588 -39.9588 -6.2817 -6.2817 -6.1155 -6.1155 -6.1079 -6.1079 -6.1044 -6.1044 -4.2811 -4.2811 -4.1682 -4.1682 -3.9087 -3.9087 -3.8238 -3.8238 -3.7102 -3.7102 -3.6906 -3.6906 -1.5297 -1.5297 1.9272 1.9272 3.4050 3.4050 6.1269 6.1269 6.8069 6.8069 7.5562 7.5562 7.9609 7.9609 8.8785 8.8785 9.2828 9.2828 k = 0.2379 0.6468-0.0000 ( 13541 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9597 -39.9597 -39.9588 -39.9588 -6.2818 -6.2818 -6.1154 -6.1154 -6.1081 -6.1081 -6.1043 -6.1043 -4.2813 -4.2813 -4.1683 -4.1683 -3.9088 -3.9088 -3.8236 -3.8236 -3.7097 -3.7097 -3.6908 -3.6908 -1.5311 -1.5311 1.9490 1.9490 3.4093 3.4093 6.0877 6.0877 6.7542 6.7542 7.5281 7.5281 8.0064 8.0064 8.8708 8.8708 9.3489 9.3489 k = 0.2210 0.6468-0.0000 ( 13548 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9597 -39.9597 -39.9588 -39.9588 -6.2818 -6.2818 -6.1153 -6.1153 -6.1084 -6.1084 -6.1041 -6.1041 -4.2815 -4.2815 -4.1684 -4.1684 -3.9089 -3.9089 -3.8233 -3.8233 -3.7092 -3.7092 -3.6910 -3.6910 -1.5329 -1.5329 1.9703 1.9703 3.4193 3.4193 6.0394 6.0394 6.6986 6.6986 7.5070 7.5070 8.0562 8.0562 8.8563 8.8563 9.4314 9.4314 k = 0.2040 0.6468-0.0000 ( 13554 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9597 -39.9597 -39.9589 -39.9589 -6.2819 -6.2819 -6.1152 -6.1152 -6.1087 -6.1087 -6.1040 -6.1040 -4.2818 -4.2818 -4.1685 -4.1685 -3.9090 -3.9090 -3.8231 -3.8231 -3.7086 -3.7086 -3.6912 -3.6912 -1.5351 -1.5351 1.9905 1.9905 3.4349 3.4349 5.9821 5.9821 6.6438 6.6438 7.4914 7.4914 8.1088 8.1088 8.8383 8.8383 9.5264 9.5264 k = 0.1870 0.6468-0.0000 ( 13554 PWs) bands (ev): -40.1705 -40.1705 -40.1623 -40.1623 -39.9596 -39.9596 -39.9589 -39.9589 -6.2820 -6.2820 -6.1151 -6.1151 -6.1090 -6.1090 -6.1039 -6.1039 -4.2820 -4.2820 -4.1686 -4.1686 -3.9092 -3.9092 -3.8229 -3.8229 -3.7080 -3.7080 -3.6915 -3.6915 -1.5375 -1.5375 2.0094 2.0094 3.4561 3.4561 5.9166 5.9166 6.5926 6.5926 7.4800 7.4800 8.1629 8.1629 8.8191 8.8191 9.6310 9.6310 k = 0.1700 0.6468-0.0000 ( 13549 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9596 -39.9596 -39.9589 -39.9589 -6.2820 -6.2820 -6.1149 -6.1149 -6.1093 -6.1093 -6.1037 -6.1037 -4.2822 -4.2822 -4.1687 -4.1687 -3.9093 -3.9093 -3.8227 -3.8227 -3.7074 -3.7074 -3.6918 -3.6918 -1.5401 -1.5401 2.0267 2.0267 3.4823 3.4823 5.8440 5.8440 6.5466 6.5466 7.4715 7.4715 8.2176 8.2176 8.8000 8.8000 9.7433 9.7433 k = 0.1530 0.6468-0.0000 ( 13548 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9596 -39.9596 -39.9590 -39.9590 -6.2821 -6.2821 -6.1148 -6.1148 -6.1096 -6.1096 -6.1036 -6.1036 -4.2823 -4.2823 -4.1688 -4.1688 -3.9095 -3.9095 -3.8225 -3.8225 -3.7068 -3.7068 -3.6922 -3.6922 -1.5427 -1.5427 2.0421 2.0421 3.5131 3.5131 5.7665 5.7665 6.5063 6.5063 7.4652 7.4652 8.2717 8.2717 8.7817 8.7817 9.8619 9.8619 k = 0.1360 0.6468-0.0000 ( 13547 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9595 -39.9595 -39.9590 -39.9590 -6.2822 -6.2822 -6.1146 -6.1146 -6.1099 -6.1099 -6.1035 -6.1035 -4.2825 -4.2825 -4.1689 -4.1689 -3.9096 -3.9096 -3.8223 -3.8223 -3.7061 -3.7061 -3.6925 -3.6925 -1.5452 -1.5452 2.0557 2.0557 3.5476 3.5476 5.6864 5.6864 6.4718 6.4718 7.4604 7.4604 8.3244 8.3244 8.7647 8.7647 9.9856 9.9856 k = 0.1190 0.6468-0.0000 ( 13540 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9595 -39.9595 -39.9590 -39.9590 -6.2822 -6.2822 -6.1144 -6.1144 -6.1102 -6.1102 -6.1034 -6.1034 -4.2827 -4.2827 -4.1689 -4.1689 -3.9098 -3.9098 -3.8222 -3.8222 -3.7055 -3.7055 -3.6929 -3.6929 -1.5476 -1.5476 2.0673 2.0673 3.5847 3.5847 5.6062 5.6062 6.4425 6.4425 7.4567 7.4567 8.3745 8.3745 8.7493 8.7493 10.1128 10.1128 k = 0.1020 0.6468-0.0000 ( 13538 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9595 -39.9595 -39.9591 -39.9591 -6.2823 -6.2823 -6.1142 -6.1142 -6.1106 -6.1106 -6.1034 -6.1034 -4.2828 -4.2828 -4.1690 -4.1690 -3.9099 -3.9099 -3.8221 -3.8221 -3.7049 -3.7049 -3.6933 -3.6933 -1.5499 -1.5499 2.0771 2.0771 3.6232 3.6232 5.5286 5.5286 6.4181 6.4181 7.4538 7.4538 8.4209 8.4209 8.7357 8.7357 10.2391 10.2391 k = 0.0850 0.6468-0.0000 ( 13541 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9594 -39.9594 -39.9591 -39.9591 -6.2823 -6.2823 -6.1139 -6.1139 -6.1109 -6.1109 -6.1033 -6.1033 -4.2830 -4.2830 -4.1690 -4.1690 -3.9100 -3.9100 -3.8220 -3.8220 -3.7043 -3.7043 -3.6937 -3.6937 -1.5519 -1.5519 2.0851 2.0851 3.6612 3.6612 5.4561 5.4561 6.3982 6.3982 7.4516 7.4516 8.4627 8.4627 8.7241 8.7241 10.3440 10.3440 k = 0.0680 0.6468-0.0000 ( 13534 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9594 -39.9594 -39.9591 -39.9591 -6.2823 -6.2823 -6.1137 -6.1137 -6.1112 -6.1112 -6.1033 -6.1033 -4.2831 -4.2831 -4.1691 -4.1691 -3.9101 -3.9101 -3.8219 -3.8219 -3.7038 -3.7038 -3.6941 -3.6941 -1.5536 -1.5536 2.0915 2.0915 3.6969 3.6969 5.3914 5.3914 6.3822 6.3822 7.4498 7.4498 8.4988 8.4988 8.7144 8.7144 10.3790 10.3790 k = 0.0510 0.6468-0.0000 ( 13530 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9594 -39.9594 -39.9592 -39.9592 -6.2824 -6.2824 -6.1134 -6.1134 -6.1115 -6.1115 -6.1032 -6.1032 -4.2832 -4.2832 -4.1691 -4.1691 -3.9102 -3.9102 -3.8218 -3.8218 -3.7034 -3.7034 -3.6944 -3.6944 -1.5550 -1.5550 2.0963 2.0963 3.7281 3.7281 5.3373 5.3373 6.3701 6.3701 7.4485 7.4485 8.5281 8.5281 8.7069 8.7069 10.3792 10.3792 k = 0.0340 0.6468-0.0000 ( 13526 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9593 -39.9593 -39.9592 -39.9592 -6.2824 -6.2824 -6.1132 -6.1132 -6.1118 -6.1118 -6.1032 -6.1032 -4.2832 -4.2832 -4.1691 -4.1691 -3.9103 -3.9103 -3.8218 -3.8218 -3.7030 -3.7030 -3.6946 -3.6946 -1.5560 -1.5560 2.0996 2.0996 3.7525 3.7525 5.2962 5.2962 6.3615 6.3615 7.4476 7.4476 8.5498 8.5498 8.7015 8.7015 10.3745 10.3745 k = 0.0170 0.6468-0.0000 ( 13526 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9593 -39.9593 -39.9592 -39.9592 -6.2824 -6.2824 -6.1130 -6.1130 -6.1121 -6.1121 -6.1032 -6.1032 -4.2833 -4.2833 -4.1691 -4.1691 -3.9103 -3.9103 -3.8218 -3.8218 -3.7028 -3.7028 -3.6948 -3.6948 -1.5566 -1.5566 2.1016 2.1016 3.7682 3.7682 5.2705 5.2705 6.3564 6.3564 7.4471 7.4471 8.5631 8.5631 8.6982 8.6982 10.3707 10.3707 k = 0.0000 0.6468-0.0000 ( 13526 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9593 -39.9593 -39.9592 -39.9592 -6.2824 -6.2824 -6.1129 -6.1129 -6.1122 -6.1122 -6.1032 -6.1032 -4.2833 -4.2833 -4.1691 -4.1691 -3.9103 -3.9103 -3.8217 -3.8217 -3.7027 -3.7027 -3.6949 -3.6949 -1.5568 -1.5568 2.1022 2.1022 3.7736 3.7736 5.2618 5.2618 6.3547 6.3547 7.4469 7.4469 8.5675 8.5675 8.6971 8.6971 10.3693 10.3693 k = 0.0000 0.6468-0.0000 ( 13526 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9593 -39.9593 -39.9592 -39.9592 -6.2824 -6.2824 -6.1129 -6.1129 -6.1122 -6.1122 -6.1032 -6.1032 -4.2833 -4.2833 -4.1691 -4.1691 -3.9103 -3.9103 -3.8217 -3.8217 -3.7027 -3.7027 -3.6949 -3.6949 -1.5568 -1.5568 2.1022 2.1022 3.7736 3.7736 5.2618 5.2618 6.3547 6.3547 7.4469 7.4469 8.5675 8.5675 8.6971 8.6971 10.3693 10.3693 k = 0.0000 0.6468 0.0176 ( 13524 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9593 -39.9593 -39.9592 -39.9592 -6.2824 -6.2824 -6.1171 -6.1171 -6.1086 -6.1086 -6.1026 -6.1026 -4.2831 -4.2831 -4.1692 -4.1692 -3.9100 -3.9100 -3.8225 -3.8225 -3.7069 -3.7069 -3.6900 -3.6900 -1.5554 -1.5554 2.1019 2.1019 3.7730 3.7730 5.2610 5.2610 6.3309 6.3309 7.4736 7.4736 8.4697 8.4697 8.7974 8.7974 10.3666 10.3666 k = 0.0000 0.6468 0.0351 ( 13522 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9593 -39.9593 -39.9592 -39.9592 -6.2824 -6.2824 -6.1218 -6.1218 -6.1063 -6.1063 -6.1004 -6.1004 -4.2824 -4.2824 -4.1694 -4.1694 -3.9092 -3.9092 -3.8246 -3.8246 -3.7128 -3.7128 -3.6821 -3.6821 -1.5511 -1.5511 2.1010 2.1010 3.7713 3.7713 5.2585 5.2585 6.2662 6.2662 7.5457 7.5457 8.3311 8.3311 8.9440 8.9440 10.3587 10.3587 k = 0.0000 0.6468 0.0527 ( 13522 PWs) bands (ev): -40.1705 -40.1705 -40.1622 -40.1622 -39.9593 -39.9593 -39.9592 -39.9592 -6.2825 -6.2825 -6.1268 -6.1268 -6.1054 -6.1054 -6.0969 -6.0969 -4.2812 -4.2812 -4.1698 -4.1698 -3.9079 -3.9079 -3.8281 -3.8281 -3.7182 -3.7182 -3.6736 -3.6736 -1.5439 -1.5439 2.0992 2.0992 3.7685 3.7685 5.2541 5.2541 6.1754 6.1754 7.6439 7.6439 8.1980 8.1980 9.0954 9.0954 10.3469 10.3469 k = 0.0000 0.6468 0.0702 ( 13516 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9593 -39.9593 -39.9592 -39.9592 -6.2825 -6.2825 -6.1318 -6.1318 -6.1048 -6.1048 -6.0930 -6.0930 -4.2796 -4.2796 -4.1703 -4.1703 -3.9061 -3.9061 -3.8327 -3.8327 -3.7228 -3.7228 -3.6646 -3.6646 -1.5338 -1.5338 2.0964 2.0964 3.7642 3.7642 5.2472 5.2472 6.0717 6.0717 7.7354 7.7354 8.0933 8.0933 9.2477 9.2477 10.3327 10.3327 k = 0.0000 0.6468 0.0878 ( 13518 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9593 -39.9593 -39.9592 -39.9592 -6.2825 -6.2825 -6.1369 -6.1369 -6.1044 -6.1044 -6.0891 -6.0891 -4.2777 -4.2777 -4.1710 -4.1710 -3.9038 -3.9038 -3.8383 -3.8383 -3.7268 -3.7268 -3.6556 -3.6556 -1.5209 -1.5209 2.0924 2.0924 3.7586 3.7586 5.2372 5.2372 5.9649 5.9649 7.7451 7.7451 8.0829 8.0829 9.3992 9.3992 10.3188 10.3188 k = 0.0000 0.6468 0.1053 ( 13508 PWs) bands (ev): -40.1703 -40.1703 -40.1623 -40.1623 -39.9593 -39.9593 -39.9592 -39.9592 -6.2825 -6.2825 -6.1420 -6.1420 -6.1040 -6.1040 -6.0854 -6.0854 -4.2753 -4.2753 -4.1717 -4.1717 -3.9012 -3.9012 -3.8446 -3.8446 -3.7301 -3.7301 -3.6465 -3.6465 -1.5049 -1.5049 2.0866 2.0866 3.7512 3.7512 5.2230 5.2230 5.8620 5.8620 7.6531 7.6531 8.1802 8.1802 9.5481 9.5481 10.3076 10.3076 k = 0.0000 0.6468 0.1229 ( 13502 PWs) bands (ev): -40.1703 -40.1703 -40.1624 -40.1624 -39.9593 -39.9593 -39.9592 -39.9592 -6.2825 -6.2825 -6.1471 -6.1471 -6.1035 -6.1035 -6.0819 -6.0819 -4.2725 -4.2725 -4.1726 -4.1726 -3.8982 -3.8982 -3.8513 -3.8513 -3.7328 -3.7328 -3.6376 -3.6376 -1.4860 -1.4860 2.0786 2.0786 3.7422 3.7422 5.2033 5.2033 5.7680 5.7680 7.5270 7.5270 8.3121 8.3121 9.6917 9.6917 10.2878 10.2878 k = 0.0000 0.6468 0.1404 ( 13514 PWs) bands (ev): -40.1702 -40.1702 -40.1625 -40.1625 -39.9593 -39.9593 -39.9592 -39.9592 -6.2826 -6.2826 -6.1522 -6.1522 -6.1029 -6.1029 -6.0786 -6.0786 -4.2695 -4.2695 -4.1735 -4.1735 -3.8951 -3.8951 -3.8581 -3.8581 -3.7351 -3.7351 -3.6289 -3.6289 -1.4640 -1.4640 2.0677 2.0677 3.7312 3.7312 5.1772 5.1772 5.6867 5.6867 7.3923 7.3923 8.4474 8.4474 9.8251 9.8251 10.1872 10.1872 k = 0.0000 0.6468 0.1580 ( 13522 PWs) bands (ev): -40.1701 -40.1701 -40.1625 -40.1625 -39.9593 -39.9593 -39.9593 -39.9593 -6.2825 -6.2825 -6.1573 -6.1573 -6.1023 -6.1023 -6.0756 -6.0756 -4.2662 -4.2662 -4.1744 -4.1744 -3.8922 -3.8922 -3.8646 -3.8646 -3.7369 -3.7369 -3.6206 -3.6206 -1.4390 -1.4390 2.0534 2.0534 3.7186 3.7186 5.1442 5.1442 5.6204 5.6204 7.2556 7.2556 8.5744 8.5744 9.9348 9.9348 10.0749 10.0749 k = 0.0000 0.6468 0.1755 ( 13524 PWs) bands (ev): -40.1700 -40.1700 -40.1626 -40.1626 -39.9593 -39.9593 -39.9593 -39.9593 -6.2825 -6.2825 -6.1623 -6.1623 -6.1017 -6.1017 -6.0729 -6.0729 -4.2628 -4.2628 -4.1754 -4.1754 -3.8902 -3.8902 -3.8697 -3.8697 -3.7383 -3.7383 -3.6127 -3.6127 -1.4109 -1.4109 2.0347 2.0347 3.7044 3.7044 5.1058 5.1058 5.5692 5.5692 7.1190 7.1190 8.6851 8.6851 9.9138 9.9138 10.0789 10.0789 k = 0.0000 0.6468 0.1931 ( 13526 PWs) bands (ev): -40.1699 -40.1699 -40.1627 -40.1627 -39.9593 -39.9593 -39.9593 -39.9593 -6.2824 -6.2824 -6.1673 -6.1673 -6.1010 -6.1010 -6.0704 -6.0704 -4.2591 -4.2591 -4.1764 -4.1764 -3.8909 -3.8909 -3.8720 -3.8720 -3.7394 -3.7394 -3.6053 -3.6053 -1.3796 -1.3796 2.0108 2.0108 3.6892 3.6892 5.0646 5.0646 5.5312 5.5312 6.9836 6.9836 8.7737 8.7737 9.8010 9.8010 10.1690 10.1690 k = 0.0000 0.6468 0.2106 ( 13530 PWs) bands (ev): -40.1698 -40.1698 -40.1628 -40.1628 -39.9593 -39.9593 -39.9593 -39.9593 -6.2823 -6.2823 -6.1722 -6.1722 -6.1002 -6.1002 -6.0682 -6.0682 -4.2554 -4.2554 -4.1774 -4.1774 -3.8947 -3.8947 -3.8708 -3.8708 -3.7401 -3.7401 -3.5985 -3.5985 -1.3451 -1.3451 1.9809 1.9809 3.6738 3.6738 5.0240 5.0240 5.5035 5.5035 6.8498 6.8498 8.8370 8.8370 9.6845 9.6845 10.2689 10.2689 k = 0.0000 0.6468 0.2282 ( 13536 PWs) bands (ev): -40.1697 -40.1697 -40.1629 -40.1629 -39.9593 -39.9593 -39.9593 -39.9593 -6.2821 -6.2821 -6.1770 -6.1770 -6.0993 -6.0993 -6.0662 -6.0662 -4.2517 -4.2517 -4.1783 -4.1783 -3.8999 -3.8999 -3.8677 -3.8677 -3.7404 -3.7404 -3.5923 -3.5923 -1.3074 -1.3074 1.9442 1.9442 3.6592 3.6592 4.9869 4.9869 5.4831 5.4831 6.7181 6.7181 8.8748 8.8748 9.5704 9.5704 10.3805 10.3805 k = 0.0000 0.6468 0.2457 ( 13544 PWs) bands (ev): -40.1696 -40.1696 -40.1630 -40.1630 -39.9593 -39.9593 -39.9593 -39.9593 -6.2819 -6.2819 -6.1817 -6.1817 -6.0984 -6.0984 -6.0646 -6.0646 -4.2481 -4.2481 -4.1791 -4.1791 -3.9054 -3.9054 -3.8640 -3.8640 -3.7403 -3.7403 -3.5869 -3.5869 -1.2664 -1.2664 1.9001 1.9001 3.6466 3.6466 4.9552 4.9552 5.4674 5.4674 6.5888 6.5888 8.8898 8.8898 9.4598 9.4598 10.5042 10.5042 k = 0.0000 0.6468 0.2633 ( 13552 PWs) bands (ev): -40.1694 -40.1694 -40.1632 -40.1632 -39.9593 -39.9593 -39.9593 -39.9593 -6.2816 -6.2816 -6.1863 -6.1863 -6.0975 -6.0975 -6.0632 -6.0632 -4.2445 -4.2445 -4.1799 -4.1799 -3.9106 -3.9106 -3.8603 -3.8603 -3.7396 -3.7396 -3.5821 -3.5821 -1.2221 -1.2221 1.8481 1.8481 3.6371 3.6371 4.9301 4.9301 5.4546 5.4546 6.4621 6.4621 8.8861 8.8861 9.3533 9.3533 10.6372 10.6372 k = 0.0000 0.6468 0.2808 ( 13552 PWs) bands (ev): -40.1693 -40.1693 -40.1633 -40.1633 -39.9593 -39.9593 -39.9593 -39.9593 -6.2812 -6.2812 -6.1909 -6.1909 -6.0964 -6.0964 -6.0621 -6.0621 -4.2411 -4.2411 -4.1807 -4.1807 -3.9154 -3.9154 -3.8567 -3.8567 -3.7384 -3.7384 -3.5782 -3.5782 -1.1745 -1.1745 1.7881 1.7881 3.6320 3.6320 4.9118 4.9118 5.4433 5.4433 6.3386 6.3386 8.8684 8.8684 9.2512 9.2512 10.7753 10.7753 k = 0.0000 0.6468 0.2984 ( 13540 PWs) bands (ev): -40.1691 -40.1691 -40.1634 -40.1634 -39.9593 -39.9593 -39.9593 -39.9593 -6.2807 -6.2807 -6.1954 -6.1954 -6.0954 -6.0954 -6.0613 -6.0613 -4.2380 -4.2380 -4.1814 -4.1814 -3.9194 -3.9194 -3.8536 -3.8536 -3.7364 -3.7364 -3.5751 -3.5751 -1.1235 -1.1235 1.7201 1.7201 3.6322 3.6322 4.8998 4.8998 5.4321 5.4321 6.2186 6.2186 8.8404 8.8404 9.1539 9.1539 10.9145 10.9145 k = 0.0000 0.6468 0.3159 ( 13538 PWs) bands (ev): -40.1690 -40.1690 -40.1636 -40.1636 -39.9593 -39.9593 -39.9593 -39.9593 -6.2801 -6.2801 -6.1997 -6.1997 -6.0942 -6.0942 -6.0607 -6.0607 -4.2350 -4.2350 -4.1820 -4.1820 -3.9228 -3.9228 -3.8511 -3.8511 -3.7337 -3.7337 -3.5728 -3.5728 -1.0692 -1.0692 1.6447 1.6447 3.6382 3.6382 4.8937 4.8937 5.4201 5.4201 6.1027 6.1027 8.8054 8.8054 9.0616 9.0616 11.0518 11.0518 k = 0.0000 0.6468 0.3335 ( 13540 PWs) bands (ev): -40.1688 -40.1688 -40.1637 -40.1637 -39.9593 -39.9593 -39.9593 -39.9593 -6.2794 -6.2794 -6.2040 -6.2040 -6.0930 -6.0930 -6.0603 -6.0603 -4.2324 -4.2324 -4.1827 -4.1827 -3.9253 -3.9253 -3.8493 -3.8493 -3.7302 -3.7302 -3.5713 -3.5713 -1.0115 -1.0115 1.5623 1.5623 3.6504 3.6504 4.8926 4.8926 5.4061 5.4061 5.9919 5.9919 8.7657 8.7657 8.9746 8.9746 11.1853 11.1853 k = 0.0000 0.6468 0.3510 ( 13546 PWs) bands (ev): -40.1687 -40.1687 -40.1639 -40.1639 -39.9594 -39.9594 -39.9593 -39.9593 -6.2785 -6.2785 -6.2082 -6.2082 -6.0918 -6.0918 -6.0602 -6.0602 -4.2299 -4.2299 -4.1834 -4.1834 -3.9270 -3.9270 -3.8483 -3.8483 -3.7259 -3.7259 -3.5706 -3.5706 -0.9504 -0.9504 1.4739 1.4739 3.6691 3.6691 4.8953 4.8953 5.3889 5.3889 5.8875 5.8875 8.7233 8.7233 8.8931 8.8931 11.3138 11.3138 k = 0.0000 0.6468 0.3686 ( 13538 PWs) bands (ev): -40.1685 -40.1685 -40.1640 -40.1640 -39.9594 -39.9594 -39.9593 -39.9593 -6.2776 -6.2776 -6.2123 -6.2123 -6.0905 -6.0905 -6.0603 -6.0603 -4.2277 -4.2277 -4.1843 -4.1843 -3.9278 -3.9278 -3.8481 -3.8481 -3.7208 -3.7208 -3.5708 -3.5708 -0.8860 -0.8860 1.3803 1.3803 3.6940 3.6940 4.9007 4.9007 5.3670 5.3670 5.7914 5.7914 8.6796 8.6796 8.8173 8.8173 11.4370 11.4370 k = 0.0000 0.6468 0.3861 ( 13542 PWs) bands (ev): -40.1683 -40.1683 -40.1642 -40.1642 -39.9594 -39.9594 -39.9593 -39.9593 -6.2764 -6.2764 -6.2163 -6.2163 -6.0892 -6.0892 -6.0606 -6.0606 -4.2256 -4.2256 -4.1852 -4.1852 -3.9278 -3.9278 -3.8486 -3.8486 -3.7149 -3.7149 -3.5718 -3.5718 -0.8183 -0.8183 1.2824 1.2824 3.7251 3.7251 4.9071 4.9071 5.3387 5.3387 5.7058 5.7058 8.6357 8.6357 8.7475 8.7475 11.5542 11.5542 k = 0.0000 0.6468 0.4037 ( 13536 PWs) bands (ev): -40.1681 -40.1681 -40.1643 -40.1643 -39.9594 -39.9594 -39.9593 -39.9593 -6.2752 -6.2752 -6.2202 -6.2202 -6.0878 -6.0878 -6.0611 -6.0611 -4.2237 -4.2237 -4.1863 -4.1863 -3.9270 -3.9270 -3.8499 -3.8499 -3.7084 -3.7084 -3.5736 -3.5736 -0.7473 -0.7473 1.1811 1.1811 3.7619 3.7619 4.9120 4.9120 5.3036 5.3036 5.6332 5.6332 8.5926 8.5926 8.6837 8.6837 11.6646 11.6646 k = 0.0000 0.6468 0.4212 ( 13530 PWs) bands (ev): -40.1680 -40.1680 -40.1645 -40.1645 -39.9594 -39.9594 -39.9593 -39.9593 -6.2738 -6.2738 -6.2241 -6.2241 -6.0864 -6.0864 -6.0617 -6.0617 -4.2219 -4.2219 -4.1876 -4.1876 -3.9254 -3.9254 -3.8518 -3.8518 -3.7013 -3.7013 -3.5762 -3.5762 -0.6731 -0.6731 1.0772 1.0772 3.8042 3.8042 4.9114 4.9114 5.2639 5.2639 5.5744 5.5744 8.5512 8.5512 8.6260 8.6260 11.7644 11.7644 k = 0.0000 0.6468 0.4388 ( 13530 PWs) bands (ev): -40.1678 -40.1678 -40.1647 -40.1647 -39.9594 -39.9594 -39.9593 -39.9593 -6.2722 -6.2722 -6.2278 -6.2278 -6.0849 -6.0849 -6.0625 -6.0625 -4.2201 -4.2201 -4.1890 -4.1890 -3.9231 -3.9231 -3.8544 -3.8544 -3.6937 -3.6937 -3.5796 -3.5796 -0.5957 -0.5957 0.9715 0.9715 3.8515 3.8515 4.8998 4.8998 5.2263 5.2263 5.5279 5.5279 8.5123 8.5123 8.5744 8.5744 11.8468 11.8468 k = 0.0000 0.6468 0.4563 ( 13526 PWs) bands (ev): -40.1676 -40.1676 -40.1649 -40.1649 -39.9594 -39.9594 -39.9593 -39.9593 -6.2705 -6.2705 -6.2315 -6.2315 -6.0834 -6.0834 -6.0635 -6.0635 -4.2184 -4.2184 -4.1907 -4.1907 -3.9202 -3.9202 -3.8575 -3.8575 -3.6858 -3.6858 -3.5836 -3.5836 -0.5151 -0.5151 0.8646 0.8646 3.9037 3.9037 4.8709 4.8709 5.1998 5.1998 5.4903 5.4903 8.4766 8.4766 8.5288 8.5288 11.9160 11.9160 k = 0.0000 0.6468 0.4739 ( 13524 PWs) bands (ev): -40.1674 -40.1674 -40.1651 -40.1651 -39.9594 -39.9594 -39.9594 -39.9594 -6.2686 -6.2686 -6.2350 -6.2350 -6.0819 -6.0819 -6.0645 -6.0645 -4.2167 -4.2167 -4.1925 -4.1925 -3.9167 -3.9167 -3.8611 -3.8611 -3.6776 -3.6776 -3.5883 -3.5883 -0.4315 -0.4315 0.7573 0.7573 3.9602 3.9602 4.8229 4.8229 5.1894 5.1894 5.4584 5.4584 8.4450 8.4450 8.4889 8.4889 11.9809 11.9809 k = 0.0000 0.6468 0.4914 ( 13530 PWs) bands (ev): -40.1672 -40.1672 -40.1652 -40.1652 -39.9594 -39.9594 -39.9594 -39.9594 -6.2666 -6.2666 -6.2385 -6.2385 -6.0804 -6.0804 -6.0657 -6.0657 -4.2149 -4.2149 -4.1944 -4.1944 -3.9127 -3.9127 -3.8651 -3.8651 -3.6693 -3.6693 -3.5936 -3.5936 -0.3450 -0.3450 0.6499 0.6499 4.0209 4.0209 4.7597 4.7597 5.1930 5.1930 5.4297 5.4297 8.4180 8.4180 8.4546 8.4546 12.0451 12.0451 k = 0.0000 0.6468 0.5090 ( 13530 PWs) bands (ev): -40.1670 -40.1670 -40.1654 -40.1654 -39.9594 -39.9594 -39.9594 -39.9594 -6.2644 -6.2644 -6.2419 -6.2419 -6.0788 -6.0788 -6.0669 -6.0669 -4.2130 -4.2130 -4.1964 -4.1964 -3.9083 -3.9083 -3.8694 -3.8694 -3.6609 -3.6609 -3.5996 -3.5996 -0.2556 -0.2556 0.5430 0.5430 4.0854 4.0854 4.6873 4.6873 5.2062 5.2062 5.4025 5.4025 8.3962 8.3962 8.4257 8.4257 12.1097 12.1097 k = 0.0000 0.6468 0.5265 ( 13536 PWs) bands (ev): -40.1668 -40.1668 -40.1656 -40.1656 -39.9594 -39.9594 -39.9594 -39.9594 -6.2620 -6.2620 -6.2451 -6.2451 -6.0772 -6.0772 -6.0683 -6.0683 -4.2111 -4.2111 -4.1985 -4.1985 -3.9037 -3.9037 -3.8740 -3.8740 -3.6524 -3.6524 -3.6060 -3.6060 -0.1635 -0.1635 0.4370 0.4370 4.1533 4.1533 4.6102 4.6102 5.2252 5.2252 5.3761 5.3761 8.3799 8.3799 8.4024 8.4024 12.1744 12.1744 k = 0.0000 0.6468 0.5441 ( 13542 PWs) bands (ev): -40.1666 -40.1666 -40.1658 -40.1658 -39.9594 -39.9594 -39.9594 -39.9594 -6.2596 -6.2596 -6.2482 -6.2482 -6.0757 -6.0757 -6.0697 -6.0697 -4.2091 -4.2091 -4.2007 -4.2007 -3.8988 -3.8988 -3.8788 -3.8788 -3.6441 -3.6441 -3.6129 -3.6129 -0.0688 -0.0688 0.3323 0.3323 4.2243 4.2243 4.5313 4.5313 5.2477 5.2477 5.3498 5.3498 8.3693 8.3693 8.3845 8.3845 12.2386 12.2386 k = 0.0000 0.6468 0.5616 ( 13540 PWs) bands (ev): -40.1664 -40.1664 -40.1660 -40.1660 -39.9594 -39.9594 -39.9594 -39.9594 -6.2569 -6.2569 -6.2513 -6.2513 -6.0741 -6.0741 -6.0711 -6.0711 -4.2071 -4.2071 -4.2028 -4.2028 -3.8938 -3.8938 -3.8837 -3.8837 -3.6359 -3.6359 -3.6202 -3.6202 0.0283 0.0283 0.2291 0.2291 4.2982 4.2982 4.4523 4.4523 5.2722 5.2722 5.3237 5.3237 8.3644 8.3644 8.3721 8.3721 12.3005 12.3005 k = 0.0000 0.6468 0.5792 ( 13540 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2542 -6.2542 -6.2542 -6.2542 -6.0726 -6.0726 -6.0726 -6.0726 -4.2050 -4.2050 -4.2050 -4.2050 -3.8888 -3.8888 -3.8888 -3.8888 -3.6279 -3.6279 -3.6279 -3.6279 0.1277 0.1277 0.1277 0.1277 4.3743 4.3743 4.3743 4.3743 5.2977 5.2977 5.2977 5.2977 8.3654 8.3654 8.3654 8.3654 12.3556 12.3556 k = 0.0000 0.6468 0.5792 ( 13540 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2542 -6.2542 -6.2542 -6.2542 -6.0726 -6.0726 -6.0726 -6.0726 -4.2050 -4.2050 -4.2050 -4.2050 -3.8888 -3.8888 -3.8888 -3.8888 -3.6279 -3.6279 -3.6279 -3.6279 0.1277 0.1277 0.1277 0.1277 4.3743 4.3743 4.3743 4.3743 5.2977 5.2977 5.2977 5.2977 8.3654 8.3654 8.3654 8.3654 12.3556 12.3556 k = 0.0170 0.6468 0.5792 ( 13536 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2542 -6.2542 -6.2541 -6.2541 -6.0727 -6.0727 -6.0725 -6.0725 -4.2056 -4.2056 -4.2044 -4.2044 -3.8889 -3.8889 -3.8886 -3.8886 -3.6284 -3.6284 -3.6275 -3.6275 0.1276 0.1276 0.1281 0.1281 4.3715 4.3715 4.3778 4.3778 5.2906 5.2906 5.2981 5.2981 8.3715 8.3715 8.3727 8.3727 12.3181 12.3181 k = 0.0340 0.6468 0.5792 ( 13530 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2543 -6.2543 -6.2541 -6.2541 -6.0728 -6.0728 -6.0724 -6.0724 -4.2062 -4.2062 -4.2038 -4.2038 -3.8891 -3.8891 -3.8884 -3.8884 -3.6289 -3.6289 -3.6271 -3.6271 0.1278 0.1278 0.1290 0.1290 4.3692 4.3692 4.3820 4.3820 5.2771 5.2771 5.2921 5.2921 8.3907 8.3907 8.3932 8.3932 12.2456 12.2456 k = 0.0510 0.6468 0.5792 ( 13530 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2543 -6.2543 -6.2541 -6.2541 -6.0728 -6.0728 -6.0723 -6.0723 -4.2067 -4.2067 -4.2032 -4.2032 -3.8893 -3.8893 -3.8883 -3.8883 -3.6295 -3.6295 -3.6267 -3.6267 0.1285 0.1285 0.1302 0.1302 4.3674 4.3674 4.3869 4.3869 5.2575 5.2575 5.2802 5.2802 8.4228 8.4228 8.4264 8.4264 12.1571 12.1571 k = 0.0680 0.6468 0.5792 ( 13532 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2544 -6.2544 -6.2541 -6.2541 -6.0728 -6.0728 -6.0722 -6.0722 -4.2073 -4.2073 -4.2026 -4.2026 -3.8895 -3.8895 -3.8881 -3.8881 -3.6301 -3.6301 -3.6264 -3.6264 0.1295 0.1295 0.1317 0.1317 4.3660 4.3660 4.3923 4.3923 5.2326 5.2326 5.2630 5.2630 8.4671 8.4671 8.4715 8.4715 12.0624 12.0624 k = 0.0850 0.6468 0.5792 ( 13528 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2544 -6.2544 -6.2541 -6.2541 -6.0729 -6.0729 -6.0721 -6.0721 -4.2078 -4.2078 -4.2020 -4.2020 -3.8896 -3.8896 -3.8880 -3.8880 -3.6307 -3.6307 -3.6261 -3.6261 0.1308 0.1308 0.1335 0.1335 4.3648 4.3648 4.3983 4.3983 5.2031 5.2031 5.2414 5.2414 8.5226 8.5226 8.5278 8.5278 11.9659 11.9659 k = 0.1020 0.6468 0.5792 ( 13518 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2545 -6.2545 -6.2541 -6.2541 -6.0729 -6.0729 -6.0720 -6.0720 -4.2083 -4.2083 -4.2015 -4.2015 -3.8898 -3.8898 -3.8879 -3.8879 -3.6313 -3.6313 -3.6259 -3.6259 0.1323 0.1323 0.1356 0.1356 4.3636 4.3636 4.4046 4.4046 5.1702 5.1702 5.2166 5.2166 8.5882 8.5882 8.5940 8.5940 11.8700 11.8700 k = 0.1190 0.6468 0.5792 ( 13524 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2546 -6.2546 -6.2541 -6.2541 -6.0729 -6.0729 -6.0718 -6.0718 -4.2088 -4.2088 -4.2009 -4.2009 -3.8900 -3.8900 -3.8878 -3.8878 -3.6319 -3.6319 -3.6257 -3.6257 0.1341 0.1341 0.1378 0.1378 4.3622 4.3622 4.4110 4.4110 5.1349 5.1349 5.1897 5.1897 8.6628 8.6628 8.6690 8.6690 11.7761 11.7761 k = 0.1360 0.6468 0.5792 ( 13524 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2547 -6.2547 -6.2541 -6.2541 -6.0729 -6.0729 -6.0717 -6.0717 -4.2092 -4.2092 -4.2004 -4.2004 -3.8902 -3.8902 -3.8877 -3.8877 -3.6325 -3.6325 -3.6256 -3.6256 0.1360 0.1360 0.1402 0.1402 4.3603 4.3603 4.4172 4.4172 5.0986 5.0986 5.1619 5.1619 8.7451 8.7451 8.7514 8.7514 11.6854 11.6854 k = 0.1530 0.6468 0.5792 ( 13536 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2547 -6.2547 -6.2541 -6.2541 -6.0729 -6.0729 -6.0715 -6.0715 -4.2096 -4.2096 -4.2000 -4.2000 -3.8903 -3.8903 -3.8876 -3.8876 -3.6331 -3.6331 -3.6255 -3.6255 0.1381 0.1381 0.1426 0.1426 4.3575 4.3575 4.4229 4.4229 5.0624 5.0624 5.1344 5.1344 8.8335 8.8335 8.8398 8.8398 11.5989 11.5989 k = 0.1700 0.6468 0.5792 ( 13538 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2548 -6.2548 -6.2541 -6.2541 -6.0729 -6.0729 -6.0714 -6.0714 -4.2100 -4.2100 -4.1995 -4.1995 -3.8905 -3.8905 -3.8876 -3.8876 -3.6337 -3.6337 -3.6255 -3.6255 0.1401 0.1401 0.1450 0.1450 4.3536 4.3536 4.4276 4.4276 5.0278 5.0278 5.1085 5.1085 8.9267 8.9267 8.9327 8.9327 11.5175 11.5175 k = 0.1870 0.6468 0.5792 ( 13542 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2549 -6.2549 -6.2542 -6.2542 -6.0729 -6.0729 -6.0713 -6.0713 -4.2103 -4.2103 -4.1991 -4.1991 -3.8907 -3.8907 -3.8875 -3.8875 -3.6343 -3.6343 -3.6256 -3.6256 0.1421 0.1421 0.1473 0.1473 4.3484 4.3484 4.4306 4.4306 4.9960 4.9960 5.0851 5.0851 9.0228 9.0228 9.0283 9.0283 11.4424 11.4424 k = 0.2040 0.6468 0.5792 ( 13548 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2550 -6.2550 -6.2542 -6.2542 -6.0728 -6.0728 -6.0712 -6.0712 -4.2106 -4.2106 -4.1987 -4.1987 -3.8908 -3.8908 -3.8875 -3.8875 -3.6349 -3.6349 -3.6256 -3.6256 0.1439 0.1439 0.1493 0.1493 4.3416 4.3416 4.4315 4.4315 4.9685 4.9685 5.0653 5.0653 9.1199 9.1199 9.1247 9.1247 11.3751 11.3751 k = 0.2210 0.6468 0.5792 ( 13542 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2551 -6.2551 -6.2543 -6.2543 -6.0728 -6.0728 -6.0710 -6.0710 -4.2108 -4.2108 -4.1984 -4.1984 -3.8910 -3.8910 -3.8875 -3.8875 -3.6354 -3.6354 -3.6258 -3.6258 0.1454 0.1454 0.1511 0.1511 4.3331 4.3331 4.4296 4.4296 4.9464 4.9464 5.0497 5.0497 9.2158 9.2158 9.2198 9.2198 11.3173 11.3173 k = 0.2379 0.6468 0.5792 ( 13542 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2551 -6.2551 -6.2543 -6.2543 -6.0728 -6.0728 -6.0709 -6.0709 -4.2110 -4.2110 -4.1981 -4.1981 -3.8911 -3.8911 -3.8876 -3.8876 -3.6359 -3.6359 -3.6260 -3.6260 0.1466 0.1466 0.1524 0.1524 4.3231 4.3231 4.4246 4.4246 4.9307 4.9307 5.0390 5.0390 9.3079 9.3079 9.3109 9.3109 11.2709 11.2709 k = 0.2549 0.6468 0.5792 ( 13552 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2552 -6.2552 -6.2543 -6.2543 -6.0728 -6.0728 -6.0709 -6.0709 -4.2111 -4.2111 -4.1979 -4.1979 -3.8913 -3.8913 -3.8877 -3.8877 -3.6364 -3.6364 -3.6262 -3.6262 0.1473 0.1473 0.1533 0.1533 4.3117 4.3117 4.4165 4.4165 4.9219 4.9219 5.0335 5.0335 9.3933 9.3933 9.3952 9.3952 11.2386 11.2386 k = 0.2719 0.6468 0.5792 ( 13560 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2553 -6.2553 -6.2544 -6.2544 -6.0728 -6.0728 -6.0708 -6.0708 -4.2112 -4.2112 -4.1977 -4.1977 -3.8915 -3.8915 -3.8878 -3.8878 -3.6368 -3.6368 -3.6265 -3.6265 0.1475 0.1475 0.1535 0.1535 4.2994 4.2994 4.4056 4.4056 4.9203 4.9203 5.0331 5.0331 9.4689 9.4689 9.4695 9.4695 11.2229 11.2229 k = 0.2889 0.6468 0.5792 ( 13566 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2553 -6.2553 -6.2544 -6.2544 -6.0728 -6.0728 -6.0707 -6.0707 -4.2112 -4.2112 -4.1975 -4.1975 -3.8917 -3.8917 -3.8879 -3.8879 -3.6372 -3.6372 -3.6268 -3.6268 0.1470 0.1470 0.1530 0.1530 4.2867 4.2867 4.3927 4.3927 4.9254 4.9254 5.0380 5.0380 9.5311 9.5311 9.5315 9.5315 11.2265 11.2265 k = 0.3059 0.6468 0.5792 ( 13562 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2554 -6.2554 -6.2545 -6.2545 -6.0728 -6.0728 -6.0707 -6.0707 -4.2112 -4.2112 -4.1974 -4.1974 -3.8918 -3.8918 -3.8881 -3.8881 -3.6375 -3.6375 -3.6271 -3.6271 0.1458 0.1458 0.1517 0.1517 4.2741 4.2741 4.3787 4.3787 4.9367 4.9367 5.0477 5.0477 9.5773 9.5773 9.5786 9.5786 11.2515 11.2515 k = 0.3059 0.6468 0.5792 ( 13562 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2554 -6.2554 -6.2545 -6.2545 -6.0728 -6.0728 -6.0707 -6.0707 -4.2112 -4.2112 -4.1974 -4.1974 -3.8918 -3.8918 -3.8881 -3.8881 -3.6375 -3.6375 -3.6271 -3.6271 0.1458 0.1458 0.1517 0.1517 4.2741 4.2741 4.3787 4.3787 4.9367 4.9367 5.0477 5.0477 9.5773 9.5773 9.5786 9.5786 11.2515 11.2515 k = 0.2985 0.6310 0.5792 ( 13562 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2553 -6.2553 -6.2544 -6.2544 -6.0728 -6.0728 -6.0708 -6.0708 -4.2113 -4.2113 -4.1976 -4.1976 -3.8914 -3.8914 -3.8877 -3.8877 -3.6368 -3.6368 -3.6263 -3.6263 0.1489 0.1489 0.1550 0.1550 4.3033 4.3033 4.4118 4.4118 4.9078 4.9078 5.0230 5.0230 9.4862 9.4862 9.4867 9.4867 11.1657 11.1657 k = 0.2910 0.6152 0.5792 ( 13556 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2552 -6.2552 -6.2543 -6.2543 -6.0727 -6.0727 -6.0709 -6.0709 -4.2113 -4.2113 -4.1978 -4.1978 -3.8911 -3.8911 -3.8873 -3.8873 -3.6361 -3.6361 -3.6256 -3.6256 0.1503 0.1503 0.1566 0.1566 4.3321 4.3321 4.4425 4.4425 4.8899 4.8899 5.0070 5.0070 9.3956 9.3956 9.3979 9.3979 11.0819 11.0819 k = 0.2835 0.5995 0.5792 ( 13536 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2550 -6.2550 -6.2542 -6.2542 -6.0727 -6.0727 -6.0710 -6.0710 -4.2113 -4.2113 -4.1981 -4.1981 -3.8908 -3.8908 -3.8871 -3.8871 -3.6355 -3.6355 -3.6249 -3.6249 0.1498 0.1498 0.1563 0.1563 4.3609 4.3609 4.4701 4.4701 4.8838 4.8838 4.9998 4.9998 9.3069 9.3069 9.3110 9.3110 11.0002 11.0002 k = 0.2761 0.5837 0.5792 ( 13528 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2549 -6.2549 -6.2541 -6.2541 -6.0728 -6.0728 -6.0712 -6.0712 -4.2112 -4.2112 -4.1983 -4.1983 -3.8906 -3.8906 -3.8868 -3.8868 -3.6350 -3.6350 -3.6243 -3.6243 0.1473 0.1473 0.1541 0.1541 4.3899 4.3899 4.4945 4.4945 4.8895 4.8895 5.0011 5.0011 9.2201 9.2201 9.2262 9.2262 10.9208 10.9208 k = 0.2686 0.5679 0.5792 ( 13524 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2548 -6.2548 -6.2540 -6.2540 -6.0728 -6.0728 -6.0714 -6.0714 -4.2112 -4.2112 -4.1986 -4.1986 -3.8904 -3.8904 -3.8867 -3.8867 -3.6345 -3.6345 -3.6238 -3.6238 0.1429 0.1429 0.1498 0.1498 4.4197 4.4197 4.5164 4.5164 4.9067 4.9067 5.0103 5.0103 9.1355 9.1355 9.1435 9.1435 10.8437 10.8437 k = 0.2612 0.5521 0.5792 ( 13532 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2547 -6.2547 -6.2540 -6.2540 -6.0729 -6.0729 -6.0716 -6.0716 -4.2111 -4.2111 -4.1988 -4.1988 -3.8904 -3.8904 -3.8866 -3.8866 -3.6340 -3.6340 -3.6234 -3.6234 0.1365 0.1365 0.1435 0.1435 4.4509 4.4509 4.5369 4.5369 4.9339 4.9339 5.0269 5.0269 9.0531 9.0531 9.0629 9.0629 10.7689 10.7689 k = 0.2537 0.5364 0.5792 ( 13522 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2546 -6.2546 -6.2539 -6.2539 -6.0731 -6.0731 -6.0719 -6.0719 -4.2109 -4.2109 -4.1991 -4.1991 -3.8903 -3.8903 -3.8866 -3.8866 -3.6336 -3.6336 -3.6230 -3.6230 0.1280 0.1280 0.1351 0.1351 4.4842 4.4842 4.5578 4.5578 4.9696 4.9696 5.0501 5.0501 8.9730 8.9730 8.9846 8.9846 10.6966 10.6966 k = 0.2462 0.5206 0.5792 ( 13522 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2544 -6.2544 -6.2538 -6.2538 -6.0732 -6.0732 -6.0722 -6.0722 -4.2107 -4.2107 -4.1993 -4.1993 -3.8904 -3.8904 -3.8867 -3.8867 -3.6332 -3.6332 -3.6228 -3.6228 0.1175 0.1175 0.1247 0.1247 4.5202 4.5202 4.5804 4.5804 5.0122 5.0122 5.0792 5.0792 8.8951 8.8951 8.9085 8.9085 10.6268 10.6268 k = 0.2388 0.5048 0.5792 ( 13518 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2543 -6.2543 -6.2537 -6.2537 -6.0734 -6.0734 -6.0726 -6.0726 -4.2106 -4.2106 -4.1996 -4.1996 -3.8905 -3.8905 -3.8869 -3.8869 -3.6329 -3.6329 -3.6226 -3.6226 0.1051 0.1051 0.1124 0.1124 4.5596 4.5596 4.6061 4.6061 5.0603 5.0603 5.1134 5.1134 8.8195 8.8195 8.8348 8.8348 10.5596 10.5596 k = 0.2313 0.4890 0.5792 ( 13514 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2542 -6.2542 -6.2536 -6.2536 -6.0736 -6.0736 -6.0730 -6.0730 -4.2103 -4.2103 -4.1999 -4.1999 -3.8906 -3.8906 -3.8871 -3.8871 -3.6327 -3.6327 -3.6225 -3.6225 0.0909 0.0909 0.0982 0.0982 4.6029 4.6029 4.6356 4.6356 5.1129 5.1129 5.1522 5.1522 8.7464 8.7464 8.7633 8.7633 10.4950 10.4950 k = 0.2239 0.4733 0.5792 ( 13522 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2541 -6.2541 -6.2536 -6.2536 -6.0739 -6.0739 -6.0734 -6.0734 -4.2101 -4.2101 -4.2001 -4.2001 -3.8909 -3.8909 -3.8873 -3.8873 -3.6325 -3.6325 -3.6225 -3.6225 0.0749 0.0749 0.0823 0.0823 4.6502 4.6502 4.6694 4.6694 5.1693 5.1693 5.1948 5.1948 8.6756 8.6756 8.6943 8.6943 10.4330 10.4330 k = 0.2164 0.4575 0.5792 ( 13518 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9593 -39.9593 -6.2539 -6.2539 -6.2535 -6.2535 -6.0741 -6.0741 -6.0738 -6.0738 -4.2098 -4.2098 -4.2004 -4.2004 -3.8912 -3.8912 -3.8877 -3.8877 -3.6324 -3.6324 -3.6225 -3.6225 0.0573 0.0573 0.0648 0.0648 4.7019 4.7019 4.7077 4.7077 5.2291 5.2291 5.2409 5.2409 8.6073 8.6073 8.6276 8.6276 10.3737 10.3737 k = 0.2089 0.4417 0.5792 ( 13520 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9593 -39.9593 -39.9593 -39.9593 -6.2538 -6.2538 -6.2534 -6.2534 -6.0744 -6.0744 -6.0743 -6.0743 -4.2095 -4.2095 -4.2006 -4.2006 -3.8915 -3.8915 -3.8881 -3.8881 -3.6323 -3.6323 -3.6227 -3.6227 0.0384 0.0384 0.0458 0.0458 4.7506 4.7506 4.7580 4.7580 5.2902 5.2902 5.2920 5.2920 8.5415 8.5415 8.5633 8.5633 10.3172 10.3172 k = 0.2015 0.4259 0.5792 ( 13520 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9593 -39.9593 -39.9593 -39.9593 -6.2537 -6.2537 -6.2533 -6.2533 -6.0748 -6.0748 -6.0748 -6.0748 -4.2092 -4.2092 -4.2008 -4.2008 -3.8919 -3.8919 -3.8886 -3.8886 -3.6323 -3.6323 -3.6228 -3.6228 0.0181 0.0181 0.0256 0.0256 4.7978 4.7978 4.8184 4.8184 5.3425 5.3425 5.3579 5.3579 8.4782 8.4782 8.5015 8.5015 10.2635 10.2635 k = 0.1940 0.4102 0.5792 ( 13518 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2536 -6.2536 -6.2533 -6.2533 -6.0753 -6.0753 -6.0751 -6.0751 -4.2089 -4.2089 -4.2010 -4.2010 -3.8924 -3.8924 -3.8891 -3.8891 -3.6323 -3.6323 -3.6231 -3.6231 -0.0032 -0.0032 0.0043 0.0043 4.8491 4.8491 4.8828 4.8828 5.3976 5.3976 5.4267 5.4267 8.4175 8.4175 8.4421 8.4421 10.2127 10.2127 k = 0.1865 0.3944 0.5792 ( 13530 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2534 -6.2534 -6.2532 -6.2532 -6.0758 -6.0758 -6.0755 -6.0755 -4.2086 -4.2086 -4.2012 -4.2012 -3.8929 -3.8929 -3.8897 -3.8897 -3.6323 -3.6323 -3.6234 -3.6234 -0.0253 -0.0253 -0.0179 -0.0179 4.9041 4.9041 4.9508 4.9508 5.4557 5.4557 5.4985 5.4985 8.3593 8.3593 8.3852 8.3852 10.1648 10.1648 k = 0.1791 0.3786 0.5792 ( 13522 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2533 -6.2533 -6.2531 -6.2531 -6.0763 -6.0763 -6.0759 -6.0759 -4.2083 -4.2083 -4.2014 -4.2014 -3.8934 -3.8934 -3.8904 -3.8904 -3.6324 -3.6324 -3.6238 -3.6238 -0.0482 -0.0482 -0.0409 -0.0409 4.9622 4.9622 5.0219 5.0219 5.5170 5.5170 5.5734 5.5734 8.3036 8.3036 8.3308 8.3308 10.1198 10.1198 k = 0.1716 0.3628 0.5792 ( 13526 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2532 -6.2532 -6.2531 -6.2531 -6.0769 -6.0769 -6.0763 -6.0763 -4.2079 -4.2079 -4.2016 -4.2016 -3.8940 -3.8940 -3.8911 -3.8911 -3.6325 -3.6325 -3.6242 -3.6242 -0.0716 -0.0716 -0.0643 -0.0643 5.0229 5.0229 5.0952 5.0952 5.5818 5.5818 5.6517 5.6517 8.2506 8.2506 8.2788 8.2788 10.0778 10.0778 k = 0.1642 0.3471 0.5792 ( 13534 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2531 -6.2531 -6.2530 -6.2530 -6.0774 -6.0774 -6.0768 -6.0768 -4.2076 -4.2076 -4.2018 -4.2018 -3.8947 -3.8947 -3.8918 -3.8918 -3.6327 -3.6327 -3.6247 -3.6247 -0.0953 -0.0953 -0.0881 -0.0881 5.0855 5.0855 5.1697 5.1697 5.6506 5.6506 5.7336 5.7336 8.2003 8.2003 8.2294 8.2294 10.0388 10.0388 k = 0.1567 0.3313 0.5792 ( 13542 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2530 -6.2530 -6.2529 -6.2529 -6.0780 -6.0780 -6.0772 -6.0772 -4.2072 -4.2072 -4.2020 -4.2020 -3.8953 -3.8953 -3.8926 -3.8926 -3.6328 -3.6328 -3.6252 -3.6252 -0.1191 -0.1191 -0.1120 -0.1120 5.1493 5.1493 5.2445 5.2445 5.7243 5.7243 5.8194 5.8194 8.1526 8.1526 8.1825 8.1825 10.0028 10.0028 k = 0.1492 0.3155 0.5792 ( 13550 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2529 -6.2529 -6.2529 -6.2529 -6.0785 -6.0785 -6.0777 -6.0777 -4.2069 -4.2069 -4.2021 -4.2021 -3.8960 -3.8960 -3.8934 -3.8934 -3.6330 -3.6330 -3.6257 -3.6257 -0.1429 -0.1429 -0.1359 -0.1359 5.2136 5.2136 5.3183 5.3183 5.8035 5.8035 5.9093 5.9093 8.1075 8.1075 8.1381 8.1381 9.9699 9.9699 k = 0.1418 0.2997 0.5792 ( 13546 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2528 -6.2528 -6.2528 -6.2528 -6.0791 -6.0791 -6.0782 -6.0782 -4.2065 -4.2065 -4.2022 -4.2022 -3.8968 -3.8968 -3.8942 -3.8942 -3.6332 -3.6332 -3.6262 -3.6262 -0.1665 -0.1665 -0.1596 -0.1596 5.2777 5.2777 5.3899 5.3899 5.8890 5.8890 6.0038 6.0038 8.0652 8.0652 8.0962 8.0962 9.9401 9.9401 k = 0.1343 0.2840 0.5792 ( 13546 PWs) bands (ev): -40.1664 -40.1664 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2527 -6.2527 -6.2527 -6.2527 -6.0797 -6.0797 -6.0787 -6.0787 -4.2062 -4.2062 -4.2024 -4.2024 -3.8975 -3.8975 -3.8951 -3.8951 -3.6334 -3.6334 -3.6268 -3.6268 -0.1897 -0.1897 -0.1830 -0.1830 5.3410 5.3410 5.4583 5.4583 5.9814 5.9814 6.1030 6.1030 8.0256 8.0256 8.0568 8.0568 9.9133 9.9133 k = 0.1269 0.2682 0.5792 ( 13532 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2527 -6.2527 -6.2526 -6.2526 -6.0802 -6.0802 -6.0791 -6.0791 -4.2059 -4.2059 -4.2025 -4.2025 -3.8983 -3.8983 -3.8960 -3.8960 -3.6336 -3.6336 -3.6273 -3.6273 -0.2123 -0.2123 -0.2059 -0.2059 5.4028 5.4028 5.5227 5.5227 6.0811 6.0811 6.2071 6.2071 7.9887 7.9887 8.0199 8.0199 9.8896 9.8897 k = 0.1194 0.2524 0.5792 ( 13528 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2526 -6.2526 -6.2525 -6.2525 -6.0807 -6.0807 -6.0796 -6.0796 -4.2056 -4.2056 -4.2025 -4.2025 -3.8990 -3.8990 -3.8969 -3.8969 -3.6338 -3.6338 -3.6279 -3.6279 -0.2344 -0.2344 -0.2282 -0.2282 5.4627 5.4627 5.5827 5.5827 6.1880 6.1880 6.3161 6.3161 7.9545 7.9545 7.9854 7.9854 9.8687 9.8687 k = 0.1119 0.2366 0.5792 ( 13522 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2526 -6.2526 -6.2525 -6.2525 -6.0812 -6.0812 -6.0801 -6.0801 -4.2052 -4.2052 -4.2026 -4.2026 -3.8998 -3.8998 -3.8978 -3.8978 -3.6340 -3.6340 -3.6284 -3.6284 -0.2556 -0.2556 -0.2497 -0.2497 5.5201 5.5201 5.6381 5.6381 6.3018 6.3018 6.4301 6.4301 7.9230 7.9230 7.9535 7.9535 9.8508 9.8509 k = 0.1045 0.2209 0.5792 ( 13514 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2525 -6.2525 -6.2524 -6.2524 -6.0817 -6.0817 -6.0806 -6.0806 -4.2050 -4.2050 -4.2027 -4.2027 -3.9005 -3.9005 -3.8986 -3.8986 -3.6342 -3.6342 -3.6290 -3.6290 -0.2760 -0.2760 -0.2703 -0.2703 5.5749 5.5749 5.6891 5.6891 6.4220 6.4220 6.5490 6.5490 7.8942 7.8942 7.9239 7.9239 9.8357 9.8357 k = 0.0970 0.2051 0.5792 ( 13514 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2525 -6.2525 -6.2523 -6.2523 -6.0822 -6.0822 -6.0811 -6.0811 -4.2047 -4.2047 -4.2027 -4.2027 -3.9012 -3.9012 -3.8995 -3.8995 -3.6344 -3.6344 -3.6296 -3.6296 -0.2953 -0.2953 -0.2899 -0.2899 5.6266 5.6266 5.7356 5.7356 6.5480 6.5480 6.6725 6.6725 7.8682 7.8682 7.8968 7.8968 9.8232 9.8232 k = 0.0895 0.1893 0.5792 ( 13510 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2524 -6.2524 -6.2523 -6.2523 -6.0826 -6.0826 -6.0815 -6.0815 -4.2044 -4.2044 -4.2028 -4.2028 -3.9019 -3.9019 -3.9004 -3.9004 -3.6345 -3.6345 -3.6301 -3.6301 -0.3136 -0.3136 -0.3085 -0.3085 5.6752 5.6752 5.7779 5.7779 6.6791 6.6791 6.8003 6.8003 7.8449 7.8449 7.8720 7.8720 9.8132 9.8132 k = 0.0821 0.1735 0.5792 ( 13514 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2524 -6.2524 -6.2522 -6.2522 -6.0830 -6.0830 -6.0820 -6.0820 -4.2042 -4.2042 -4.2028 -4.2028 -3.9026 -3.9026 -3.9012 -3.9012 -3.6347 -3.6347 -3.6306 -3.6306 -0.3307 -0.3307 -0.3259 -0.3259 5.7204 5.7204 5.8160 5.8160 6.8147 6.8147 6.9319 6.9319 7.8243 7.8243 7.8497 7.8497 9.8055 9.8056 k = 0.0746 0.1578 0.5792 ( 13502 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2523 -6.2523 -6.2521 -6.2521 -6.0834 -6.0834 -6.0824 -6.0824 -4.2040 -4.2040 -4.2028 -4.2028 -3.9033 -3.9033 -3.9019 -3.9019 -3.6348 -3.6348 -3.6311 -3.6311 -0.3465 -0.3465 -0.3421 -0.3421 5.7622 5.7622 5.8501 5.8501 6.9538 6.9538 7.0668 7.0668 7.8066 7.8066 7.8297 7.8297 9.7996 9.7996 k = 0.0672 0.1420 0.5792 ( 13506 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2523 -6.2523 -6.2521 -6.2521 -6.0838 -6.0838 -6.0828 -6.0828 -4.2038 -4.2038 -4.2028 -4.2028 -3.9038 -3.9038 -3.9027 -3.9027 -3.6349 -3.6349 -3.6316 -3.6316 -0.3609 -0.3609 -0.3569 -0.3569 5.8004 5.8004 5.8803 5.8803 7.0955 7.0955 7.2040 7.2040 7.7919 7.7919 7.8124 7.8124 9.7953 9.7953 k = 0.0597 0.1262 0.5792 ( 13518 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2522 -6.2522 -6.2521 -6.2521 -6.0841 -6.0841 -6.0832 -6.0832 -4.2036 -4.2036 -4.2028 -4.2028 -3.9044 -3.9044 -3.9034 -3.9034 -3.6350 -3.6350 -3.6320 -3.6320 -0.3740 -0.3740 -0.3704 -0.3704 5.8352 5.8352 5.9067 5.9067 7.2384 7.2384 7.3423 7.3423 7.7806 7.7806 7.7979 7.7979 9.7921 9.7921 k = 0.0522 0.1104 0.5792 ( 13518 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2522 -6.2522 -6.2520 -6.2520 -6.0844 -6.0844 -6.0836 -6.0836 -4.2035 -4.2035 -4.2029 -4.2029 -3.9049 -3.9049 -3.9040 -3.9040 -3.6350 -3.6350 -3.6325 -3.6325 -0.3856 -0.3856 -0.3824 -0.3824 5.8663 5.8663 5.9293 5.9293 7.3800 7.3800 7.4791 7.4791 7.7740 7.7740 7.7877 7.7877 9.7891 9.7892 k = 0.0448 0.0947 0.5792 ( 13526 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2521 -6.2521 -6.2520 -6.2520 -6.0846 -6.0846 -6.0839 -6.0839 -4.2033 -4.2033 -4.2029 -4.2029 -3.9053 -3.9053 -3.9045 -3.9045 -3.6351 -3.6351 -3.6328 -3.6328 -0.3958 -0.3958 -0.3930 -0.3930 5.8940 5.8940 5.9481 5.9481 7.5146 7.5146 7.6073 7.6073 7.7761 7.7761 7.7871 7.7871 9.7853 9.7854 k = 0.0373 0.0789 0.5792 ( 13530 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2521 -6.2521 -6.2520 -6.2520 -6.0848 -6.0848 -6.0842 -6.0842 -4.2032 -4.2032 -4.2029 -4.2029 -3.9057 -3.9057 -3.9050 -3.9050 -3.6350 -3.6350 -3.6332 -3.6332 -0.4044 -0.4044 -0.4020 -0.4020 5.9180 5.9180 5.9633 5.9633 7.6253 7.6253 7.6961 7.6961 7.8018 7.8018 7.8244 7.8244 9.7778 9.7778 k = 0.0298 0.0631 0.5792 ( 13544 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2521 -6.2521 -6.2520 -6.2520 -6.0849 -6.0849 -6.0844 -6.0844 -4.2031 -4.2031 -4.2029 -4.2029 -3.9060 -3.9060 -3.9055 -3.9055 -3.6350 -3.6350 -3.6335 -3.6335 -0.4114 -0.4114 -0.4095 -0.4095 5.9385 5.9385 5.9748 5.9748 7.6812 7.6812 7.7183 7.7183 7.8784 7.8784 7.9227 7.9227 9.7577 9.7577 k = 0.0224 0.0473 0.5792 ( 13550 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2521 -6.2521 -6.2520 -6.2520 -6.0850 -6.0850 -6.0846 -6.0846 -4.2031 -4.2031 -4.2029 -4.2029 -3.9062 -3.9062 -3.9058 -3.9058 -3.6349 -3.6349 -3.6338 -3.6338 -0.4168 -0.4168 -0.4154 -0.4154 5.9554 5.9554 5.9827 5.9827 7.6981 7.6981 7.7190 7.7190 7.9851 7.9851 8.0311 8.0311 9.7015 9.7015 k = 0.0149 0.0316 0.5792 ( 13566 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2520 -6.2520 -6.2520 -6.2520 -6.0851 -6.0851 -6.0848 -6.0848 -4.2030 -4.2030 -4.2029 -4.2029 -3.9063 -3.9063 -3.9061 -3.9061 -3.6348 -3.6348 -3.6341 -3.6341 -0.4207 -0.4207 -0.4197 -0.4197 5.9688 5.9688 5.9870 5.9870 7.7037 7.7037 7.7159 7.7159 8.0860 8.0860 8.1226 8.1226 9.6056 9.6056 k = 0.0075 0.0158 0.5792 ( 13558 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2520 -6.2520 -6.2520 -6.2520 -6.0851 -6.0851 -6.0849 -6.0849 -4.2029 -4.2029 -4.2029 -4.2029 -3.9064 -3.9064 -3.9063 -3.9063 -3.6347 -3.6347 -3.6343 -3.6343 -0.4229 -0.4229 -0.4224 -0.4224 5.9787 5.9787 5.9878 5.9878 7.7068 7.7068 7.7125 7.7125 8.1612 8.1612 8.1817 8.1817 9.5316 9.5316 k = 0.0000 0.0000 0.5792 ( 13558 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2520 -6.2520 -6.2520 -6.2520 -6.0850 -6.0850 -6.0850 -6.0850 -4.2029 -4.2029 -4.2029 -4.2029 -3.9064 -3.9064 -3.9064 -3.9064 -3.6345 -3.6345 -3.6345 -3.6345 -0.4234 -0.4234 -0.4234 -0.4234 5.9850 5.9850 5.9850 5.9850 7.7095 7.7095 7.7095 7.7095 8.1958 8.1958 8.1958 8.1958 9.5087 9.5088 k = 0.0000 0.0000 0.5792 ( 13558 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2520 -6.2520 -6.2520 -6.2520 -6.0850 -6.0850 -6.0850 -6.0850 -4.2029 -4.2029 -4.2029 -4.2029 -3.9064 -3.9064 -3.9064 -3.9064 -3.6345 -3.6345 -3.6345 -3.6345 -0.4234 -0.4234 -0.4234 -0.4234 5.9850 5.9850 5.9850 5.9850 7.7095 7.7095 7.7095 7.7095 8.1958 8.1958 8.1958 8.1958 9.5088 9.5088 k = 0.0000 0.0000 0.5616 ( 13550 PWs) bands (ev): -40.1667 -40.1667 -40.1663 -40.1663 -39.9592 -39.9592 -39.9591 -39.9591 -6.2549 -6.2549 -6.2490 -6.2490 -6.0863 -6.0863 -6.0838 -6.0838 -4.2044 -4.2044 -4.2013 -4.2013 -3.9128 -3.9128 -3.8999 -3.8999 -3.6437 -3.6437 -3.6257 -3.6257 -0.5227 -0.5227 -0.3216 -0.3216 5.9526 5.9526 6.0120 6.0120 7.6885 7.6885 7.7366 7.7366 8.1354 8.1354 8.2546 8.2546 9.4935 9.4935 k = 0.0000 0.0000 0.5441 ( 13556 PWs) bands (ev): -40.1669 -40.1669 -40.1661 -40.1661 -39.9593 -39.9593 -39.9590 -39.9590 -6.2577 -6.2577 -6.2459 -6.2459 -6.0875 -6.0875 -6.0825 -6.0825 -4.2059 -4.2059 -4.1996 -4.1996 -3.9191 -3.9191 -3.8935 -3.8935 -3.6532 -3.6532 -3.6173 -3.6173 -0.6193 -0.6193 -0.2174 -0.2174 5.9155 5.9155 6.0331 6.0331 7.6712 7.6712 7.7710 7.7710 8.0774 8.0774 8.3082 8.3082 9.4782 9.4782 k = 0.0000 0.0000 0.5265 ( 13554 PWs) bands (ev): -40.1671 -40.1671 -40.1659 -40.1659 -39.9594 -39.9594 -39.9589 -39.9589 -6.2603 -6.2603 -6.2427 -6.2427 -6.0887 -6.0887 -6.0812 -6.0812 -4.2072 -4.2072 -4.1980 -4.1980 -3.9252 -3.9252 -3.8872 -3.8872 -3.6629 -3.6629 -3.6093 -3.6093 -0.7133 -0.7133 -0.1108 -0.1108 5.8743 5.8743 6.0481 6.0481 7.6537 7.6537 7.8128 7.8128 8.0276 8.0276 8.3539 8.3539 9.4631 9.4631 k = 0.0000 0.0000 0.5090 ( 13538 PWs) bands (ev): -40.1674 -40.1674 -40.1656 -40.1656 -39.9594 -39.9594 -39.9588 -39.9588 -6.2629 -6.2629 -6.2395 -6.2395 -6.0899 -6.0899 -6.0800 -6.0800 -4.2085 -4.2085 -4.1964 -4.1964 -3.9310 -3.9310 -3.8811 -3.8811 -3.6727 -3.6727 -3.6018 -3.6018 -0.8044 -0.8044 -0.0020 -0.0020 5.8299 5.8299 6.0571 6.0571 7.6300 7.6300 7.8618 7.8618 7.9928 7.9928 8.3893 8.3893 9.4484 9.4484 k = 0.0000 0.0000 0.4914 ( 13536 PWs) bands (ev): -40.1676 -40.1676 -40.1654 -40.1654 -39.9595 -39.9595 -39.9587 -39.9587 -6.2653 -6.2653 -6.2361 -6.2361 -6.0911 -6.0911 -6.0788 -6.0788 -4.2096 -4.2096 -4.1948 -4.1948 -3.9364 -3.9364 -3.8752 -3.8752 -3.6826 -3.6826 -3.5948 -3.5948 -0.8927 -0.8927 0.1089 0.1089 5.7829 5.7829 6.0604 6.0604 7.5946 7.5946 7.9154 7.9154 7.9811 7.9811 8.4130 8.4130 9.4340 9.4340 k = 0.0000 0.0000 0.4739 ( 13530 PWs) bands (ev): -40.1678 -40.1678 -40.1652 -40.1652 -39.9596 -39.9596 -39.9587 -39.9587 -6.2675 -6.2675 -6.2327 -6.2327 -6.0922 -6.0922 -6.0777 -6.0777 -4.2106 -4.2106 -4.1934 -4.1934 -3.9414 -3.9414 -3.8696 -3.8696 -3.6926 -3.6926 -3.5885 -3.5885 -0.9780 -0.9780 0.2218 0.2218 5.7340 5.7340 6.0583 6.0583 7.5462 7.5462 7.9611 7.9611 8.0060 8.0060 8.4247 8.4247 9.4199 9.4199 k = 0.0000 0.0000 0.4563 ( 13530 PWs) bands (ev): -40.1680 -40.1680 -40.1650 -40.1650 -39.9597 -39.9597 -39.9586 -39.9586 -6.2696 -6.2696 -6.2292 -6.2292 -6.0933 -6.0933 -6.0766 -6.0766 -4.2116 -4.2116 -4.1922 -4.1922 -3.9458 -3.9458 -3.8643 -3.8643 -3.7024 -3.7024 -3.5828 -3.5828 -1.0603 -1.0603 0.3365 0.3365 5.6839 5.6839 6.0515 6.0515 7.4876 7.4876 7.9940 7.9940 8.0683 8.0683 8.4252 8.4252 9.4060 9.4060 k = 0.0000 0.0000 0.4388 ( 13529 PWs) bands (ev): -40.1682 -40.1682 -40.1648 -40.1648 -39.9597 -39.9597 -39.9585 -39.9585 -6.2716 -6.2716 -6.2257 -6.2257 -6.0944 -6.0944 -6.0757 -6.0757 -4.2126 -4.2126 -4.1911 -4.1911 -3.9495 -3.9495 -3.8595 -3.8595 -3.7121 -3.7121 -3.5778 -3.5778 -1.1397 -1.1397 0.4529 0.4529 5.6331 5.6331 6.0408 6.0408 7.4225 7.4225 8.0334 8.0334 8.1435 8.1435 8.4169 8.4169 9.3926 9.3926 k = 0.0000 0.0000 0.4212 ( 13521 PWs) bands (ev): -40.1684 -40.1684 -40.1646 -40.1646 -39.9598 -39.9598 -39.9584 -39.9584 -6.2734 -6.2734 -6.2221 -6.2221 -6.0954 -6.0954 -6.0748 -6.0748 -4.2137 -4.2137 -4.1901 -4.1901 -3.9523 -3.9523 -3.8551 -3.8551 -3.7216 -3.7216 -3.5736 -3.5736 -1.2159 -1.2159 0.5708 0.5708 5.5821 5.5821 6.0268 6.0268 7.3541 7.3541 8.0813 8.0813 8.2227 8.2227 8.4042 8.4042 9.3800 9.3800 k = 0.0000 0.0000 0.4037 ( 13521 PWs) bands (ev): -40.1686 -40.1686 -40.1645 -40.1645 -39.9599 -39.9599 -39.9583 -39.9583 -6.2751 -6.2751 -6.2185 -6.2185 -6.0963 -6.0963 -6.0740 -6.0740 -4.2149 -4.2149 -4.1893 -4.1893 -3.9543 -3.9543 -3.8513 -3.8513 -3.7306 -3.7306 -3.5701 -3.5701 -1.2889 -1.2889 0.6900 0.6900 5.5313 5.5313 6.0103 6.0103 7.2843 7.2843 8.1361 8.1361 8.2913 8.2913 8.4020 8.4020 9.3686 9.3686 k = 0.0000 0.0000 0.3861 ( 13525 PWs) bands (ev): -40.1688 -40.1688 -40.1643 -40.1643 -39.9599 -39.9599 -39.9583 -39.9583 -6.2766 -6.2766 -6.2148 -6.2148 -6.0972 -6.0972 -6.0733 -6.0733 -4.2164 -4.2164 -4.1886 -4.1886 -3.9554 -3.9554 -3.8483 -3.8483 -3.7391 -3.7391 -3.5675 -3.5675 -1.3588 -1.3588 0.8103 0.8103 5.4811 5.4811 5.9919 5.9919 7.2144 7.2144 8.1961 8.1961 8.3077 8.3077 8.4530 8.4530 9.3589 9.3589 k = 0.0000 0.0000 0.3686 ( 13527 PWs) bands (ev): -40.1690 -40.1690 -40.1641 -40.1641 -39.9600 -39.9600 -39.9582 -39.9582 -6.2780 -6.2780 -6.2110 -6.2110 -6.0981 -6.0981 -6.0729 -6.0729 -4.2183 -4.2183 -4.1879 -4.1879 -3.9554 -3.9554 -3.8462 -3.8462 -3.7468 -3.7468 -3.5656 -3.5656 -1.4255 -1.4255 0.9314 0.9314 5.4317 5.4317 5.9722 5.9722 7.1453 7.1453 8.2598 8.2598 8.2864 8.2864 8.5428 8.5428 9.3515 9.3515 k = 0.0000 0.0000 0.3510 ( 13515 PWs) bands (ev): -40.1691 -40.1691 -40.1639 -40.1639 -39.9601 -39.9601 -39.9581 -39.9581 -6.2792 -6.2792 -6.2072 -6.2072 -6.0989 -6.0989 -6.0725 -6.0725 -4.2207 -4.2207 -4.1871 -4.1871 -3.9544 -3.9544 -3.8451 -3.8451 -3.7536 -3.7536 -3.5647 -3.5647 -1.4889 -1.4889 1.0531 1.0531 5.3834 5.3834 5.9517 5.9517 7.0776 7.0776 8.2553 8.2553 8.3265 8.3265 8.6431 8.6431 9.3475 9.3475 k = 0.0000 0.0000 0.3335 ( 13521 PWs) bands (ev): -40.1693 -40.1693 -40.1638 -40.1638 -39.9601 -39.9601 -39.9581 -39.9581 -6.2803 -6.2803 -6.2033 -6.2033 -6.0996 -6.0996 -6.0724 -6.0724 -4.2235 -4.2235 -4.1861 -4.1861 -3.9524 -3.9524 -3.8452 -3.8452 -3.7592 -3.7592 -3.5646 -3.5646 -1.5491 -1.5491 1.1752 1.1752 5.3363 5.3363 5.9310 5.9310 7.0116 7.0116 8.2215 8.2215 8.3945 8.3945 8.7462 8.7462 9.3488 9.3488 k = 0.0000 0.0000 0.3159 ( 13541 PWs) bands (ev): -40.1695 -40.1695 -40.1636 -40.1636 -39.9602 -39.9602 -39.9580 -39.9580 -6.2813 -6.2813 -6.1994 -6.1994 -6.1003 -6.1003 -6.0724 -6.0724 -4.2269 -4.2269 -4.1849 -4.1849 -3.9495 -3.9495 -3.8467 -3.8467 -3.7634 -3.7634 -3.5655 -3.5655 -1.6060 -1.6060 1.2972 1.2972 5.2907 5.2907 5.9103 5.9103 6.9477 6.9477 8.1867 8.1867 8.4630 8.4630 8.8473 8.8473 9.3586 9.3586 k = 0.0000 0.0000 0.2984 ( 13529 PWs) bands (ev): -40.1697 -40.1697 -40.1634 -40.1634 -39.9602 -39.9602 -39.9579 -39.9579 -6.2821 -6.2821 -6.1954 -6.1954 -6.1010 -6.1010 -6.0727 -6.0727 -4.2308 -4.2308 -4.1835 -4.1835 -3.9456 -3.9456 -3.8495 -3.8495 -3.7663 -3.7663 -3.5672 -3.5672 -1.6596 -1.6596 1.4189 1.4189 5.2466 5.2466 5.8901 5.8901 6.8861 6.8861 8.1518 8.1518 8.5307 8.5307 8.9399 8.9399 9.3417 9.3417 k = 0.0000 0.0000 0.2808 ( 13529 PWs) bands (ev): -40.1698 -40.1698 -40.1633 -40.1633 -39.9603 -39.9603 -39.9579 -39.9579 -6.2829 -6.2829 -6.1913 -6.1913 -6.1016 -6.1016 -6.0731 -6.0731 -4.2351 -4.2351 -4.1818 -4.1818 -3.9409 -3.9409 -3.8535 -3.8535 -3.7678 -3.7678 -3.5699 -3.5699 -1.7099 -1.7099 1.5398 1.5398 5.2041 5.2041 5.8706 5.8706 6.8270 6.8270 8.1176 8.1176 8.5960 8.5960 9.0158 9.0158 9.2765 9.2765 k = 0.0000 0.0000 0.2633 ( 13525 PWs) bands (ev): -40.1700 -40.1700 -40.1632 -40.1632 -39.9603 -39.9603 -39.9578 -39.9578 -6.2835 -6.2835 -6.1872 -6.1872 -6.1022 -6.1022 -6.0739 -6.0739 -4.2398 -4.2398 -4.1800 -4.1800 -3.9354 -3.9354 -3.8585 -3.8585 -3.7682 -3.7682 -3.5734 -3.5734 -1.7569 -1.7569 1.6595 1.6595 5.1635 5.1635 5.8520 5.8520 6.7704 6.7704 8.0843 8.0843 8.6561 8.6561 9.0687 9.0687 9.2076 9.2076 k = 0.0000 0.0000 0.2457 ( 13529 PWs) bands (ev): -40.1701 -40.1701 -40.1630 -40.1630 -39.9604 -39.9604 -39.9578 -39.9578 -6.2840 -6.2840 -6.1830 -6.1830 -6.1027 -6.1027 -6.0748 -6.0748 -4.2446 -4.2446 -4.1779 -4.1779 -3.9293 -3.9293 -3.8642 -3.8642 -3.7676 -3.7676 -3.5778 -3.5778 -1.8007 -1.8007 1.7775 1.7775 5.1246 5.1246 5.8347 5.8347 6.7165 6.7165 8.0525 8.0525 8.7057 8.7057 9.0994 9.0994 9.1416 9.1416 k = 0.0000 0.0000 0.2282 ( 13537 PWs) bands (ev): -40.1702 -40.1702 -40.1629 -40.1629 -39.9604 -39.9604 -39.9577 -39.9577 -6.2845 -6.2845 -6.1787 -6.1787 -6.1032 -6.1032 -6.0760 -6.0760 -4.2496 -4.2496 -4.1758 -4.1758 -3.9227 -3.9227 -3.8702 -3.8702 -3.7663 -3.7663 -3.5831 -3.5831 -1.8412 -1.8412 1.8931 1.8931 5.0877 5.0877 5.8188 5.8188 6.6655 6.6655 8.0223 8.0223 8.7344 8.7344 9.0846 9.0846 9.1201 9.1201 k = 0.0000 0.0000 0.2106 ( 13549 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9605 -39.9605 -39.9577 -39.9577 -6.2849 -6.2849 -6.1744 -6.1744 -6.1036 -6.1036 -6.0775 -6.0775 -4.2547 -4.2547 -4.1735 -4.1735 -3.9157 -3.9157 -3.8764 -3.8764 -3.7644 -3.7644 -3.5892 -3.5892 -1.8785 -1.8785 2.0059 2.0059 5.0527 5.0527 5.8043 5.8043 6.6173 6.6173 7.9939 7.9939 8.7269 8.7269 9.0617 9.0617 9.1284 9.1284 k = 0.0000 0.0000 0.1931 ( 13555 PWs) bands (ev): -40.1705 -40.1705 -40.1627 -40.1627 -39.9605 -39.9605 -39.9576 -39.9576 -6.2852 -6.2852 -6.1700 -6.1700 -6.1040 -6.1040 -6.0792 -6.0792 -4.2596 -4.2596 -4.1712 -4.1712 -3.9086 -3.9086 -3.8825 -3.8825 -3.7621 -3.7621 -3.5960 -3.5960 -1.9125 -1.9125 2.1150 2.1150 5.0197 5.0197 5.7915 5.7915 6.5720 6.5720 7.9675 7.9675 8.6797 8.6797 9.0712 9.0712 9.1345 9.1345 k = 0.0000 0.0000 0.1755 ( 13575 PWs) bands (ev): -40.1706 -40.1706 -40.1626 -40.1626 -39.9606 -39.9606 -39.9576 -39.9576 -6.2854 -6.2854 -6.1656 -6.1656 -6.1044 -6.1044 -6.0811 -6.0811 -4.2644 -4.2644 -4.1689 -4.1689 -3.9020 -3.9020 -3.8876 -3.8876 -3.7592 -3.7592 -3.6035 -3.6035 -1.9434 -1.9434 2.2196 2.2196 4.9888 4.9888 5.7804 5.7804 6.5298 6.5298 7.9431 7.9431 8.6080 8.6080 9.0958 9.0958 9.1442 9.1442 k = 0.0000 0.0000 0.1580 ( 13587 PWs) bands (ev): -40.1707 -40.1707 -40.1625 -40.1625 -39.9606 -39.9606 -39.9575 -39.9575 -6.2856 -6.2856 -6.1612 -6.1612 -6.1048 -6.1048 -6.0833 -6.0833 -4.2690 -4.2690 -4.1666 -4.1666 -3.8993 -3.8993 -3.8887 -3.8887 -3.7560 -3.7560 -3.6117 -3.6117 -1.9712 -1.9712 2.3190 2.3190 4.9601 4.9601 5.7711 5.7711 6.4907 6.4907 7.9210 7.9210 8.5262 8.5262 9.1118 9.1118 9.1693 9.1693 k = 0.0000 0.0000 0.1404 ( 13577 PWs) bands (ev): -40.1708 -40.1708 -40.1624 -40.1624 -39.9606 -39.9606 -39.9575 -39.9575 -6.2858 -6.2858 -6.1567 -6.1567 -6.1051 -6.1051 -6.0857 -6.0857 -4.2733 -4.2733 -4.1644 -4.1644 -3.9027 -3.9027 -3.8834 -3.8834 -3.7522 -3.7522 -3.6204 -3.6204 -1.9959 -1.9959 2.4121 2.4121 4.9336 4.9336 5.7634 5.7634 6.4548 6.4548 7.9012 7.9012 8.4424 8.4424 9.1159 9.1159 9.2070 9.2070 k = 0.0000 0.0000 0.1229 ( 13571 PWs) bands (ev): -40.1709 -40.1709 -40.1624 -40.1624 -39.9606 -39.9606 -39.9575 -39.9575 -6.2859 -6.2859 -6.1523 -6.1523 -6.1053 -6.1053 -6.0883 -6.0883 -4.2772 -4.2772 -4.1623 -4.1623 -3.9073 -3.9073 -3.8768 -3.8768 -3.7480 -3.7480 -3.6296 -3.6296 -2.0176 -2.0176 2.4980 2.4980 4.9096 4.9096 5.7574 5.7574 6.4222 6.4222 7.8838 7.8838 8.3612 8.3612 9.1161 9.1161 9.2466 9.2466 k = 0.0000 0.0000 0.1053 ( 13573 PWs) bands (ev): -40.1709 -40.1709 -40.1623 -40.1623 -39.9607 -39.9607 -39.9574 -39.9574 -6.2860 -6.2860 -6.1479 -6.1479 -6.1056 -6.1056 -6.0910 -6.0910 -4.2807 -4.2807 -4.1604 -4.1604 -3.9117 -3.9117 -3.8704 -3.8704 -3.7431 -3.7431 -3.6392 -3.6392 -2.0362 -2.0362 2.5755 2.5755 4.8881 4.8881 5.7530 5.7530 6.3932 6.3932 7.8688 7.8688 8.2857 8.2857 9.1150 9.1150 9.2838 9.2838 k = 0.0000 0.0000 0.0878 ( 13569 PWs) bands (ev): -40.1710 -40.1710 -40.1623 -40.1623 -39.9607 -39.9607 -39.9574 -39.9574 -6.2861 -6.2861 -6.1437 -6.1437 -6.1059 -6.1059 -6.0939 -6.0939 -4.2837 -4.2837 -4.1587 -4.1587 -3.9156 -3.9156 -3.8646 -3.8646 -3.7376 -3.7376 -3.6490 -3.6490 -2.0520 -2.0520 2.6436 2.6436 4.8693 4.8693 5.7499 5.7499 6.3679 6.3679 7.8562 7.8562 8.2180 8.2180 9.1136 9.1136 9.3168 9.3168 k = 0.0000 0.0000 0.0702 ( 13565 PWs) bands (ev): -40.1710 -40.1710 -40.1622 -40.1622 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1396 -6.1396 -6.1062 -6.1062 -6.0967 -6.0967 -4.2863 -4.2863 -4.1572 -4.1572 -3.9189 -3.9189 -3.8595 -3.8595 -3.7314 -3.7314 -3.6590 -3.6590 -2.0648 -2.0648 2.7012 2.7012 4.8536 4.8536 5.7479 5.7479 6.3467 6.3467 7.8462 7.8462 8.1600 8.1600 9.1121 9.1121 9.3447 9.3447 k = 0.0000 0.0000 0.0527 ( 13565 PWs) bands (ev): -40.1711 -40.1711 -40.1622 -40.1622 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1359 -6.1359 -6.1065 -6.1065 -6.0993 -6.0993 -4.2883 -4.2883 -4.1560 -4.1560 -3.9216 -3.9216 -3.8554 -3.8554 -3.7246 -3.7246 -3.6689 -3.6689 -2.0747 -2.0747 2.7472 2.7472 4.8410 4.8410 5.7468 5.7468 6.3297 6.3297 7.8387 7.8387 8.1131 8.1131 9.1109 9.1109 9.3668 9.3668 k = 0.0000 0.0000 0.0351 ( 13567 PWs) bands (ev): -40.1711 -40.1711 -40.1622 -40.1622 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1328 -6.1328 -6.1071 -6.1071 -6.1013 -6.1013 -4.2897 -4.2897 -4.1552 -4.1552 -3.9235 -3.9235 -3.8525 -3.8525 -3.7172 -3.7172 -3.6786 -3.6786 -2.0817 -2.0817 2.7808 2.7808 4.8318 4.8318 5.7462 5.7462 6.3173 6.3173 7.8335 7.8335 8.0786 8.0786 9.1099 9.1099 9.3829 9.3829 k = 0.0000 0.0000 0.0176 ( 13571 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1305 -6.1305 -6.1077 -6.1077 -6.1026 -6.1026 -4.2906 -4.2906 -4.1546 -4.1546 -3.9246 -3.9246 -3.8506 -3.8506 -3.7096 -3.7096 -3.6876 -3.6876 -2.0860 -2.0860 2.8013 2.8013 4.8262 4.8262 5.7460 5.7460 6.3098 6.3098 7.8305 7.8305 8.0574 8.0574 9.1094 9.1094 9.3926 9.3926 k = 0.0000 0.0000 0.0000 ( 13573 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1297 -6.1297 -6.1080 -6.1080 -6.1030 -6.1030 -4.2909 -4.2909 -4.1545 -4.1545 -3.9250 -3.9250 -3.8500 -3.8500 -3.7049 -3.7049 -3.6928 -3.6928 -2.0874 -2.0874 2.8081 2.8081 4.8243 4.8243 5.7459 5.7459 6.3073 6.3073 7.8295 7.8295 8.0503 8.0503 9.1092 9.1092 9.3959 9.3959 k = 0.0000 0.0000 0.0000 ( 13573 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1297 -6.1297 -6.1080 -6.1080 -6.1030 -6.1030 -4.2909 -4.2909 -4.1545 -4.1545 -3.9250 -3.9250 -3.8500 -3.8500 -3.7049 -3.7049 -3.6928 -3.6928 -2.0874 -2.0874 2.8081 2.8081 4.8243 4.8243 5.7459 5.7459 6.3073 6.3073 7.8295 7.8295 8.0503 8.0503 9.1092 9.1092 9.3959 9.3959 k =-0.0156 0.0074-0.0000 ( 13565 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1297 -6.1297 -6.1080 -6.1080 -6.1030 -6.1030 -4.2908 -4.2908 -4.1545 -4.1545 -3.9250 -3.9250 -3.8500 -3.8500 -3.7048 -3.7048 -3.6928 -3.6928 -2.0867 -2.0867 2.8023 2.8023 4.8267 4.8267 5.7507 5.7507 6.3015 6.3015 7.8358 7.8358 8.0555 8.0555 9.1041 9.1041 9.4001 9.4001 k =-0.0312 0.0148-0.0000 ( 13573 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2862 -6.2862 -6.1296 -6.1296 -6.1080 -6.1080 -6.1031 -6.1031 -4.2907 -4.2907 -4.1545 -4.1545 -3.9249 -3.9249 -3.8500 -3.8500 -3.7048 -3.7048 -3.6930 -3.6930 -2.0845 -2.0845 2.7852 2.7852 4.8336 4.8336 5.7647 5.7647 6.2846 6.2846 7.8541 7.8541 8.0712 8.0712 9.0897 9.0897 9.4122 9.4122 k =-0.0469 0.0222-0.0000 ( 13569 PWs) bands (ev): -40.1711 -40.1711 -40.1621 -40.1621 -39.9607 -39.9607 -39.9574 -39.9574 -6.2861 -6.2861 -6.1295 -6.1295 -6.1080 -6.1080 -6.1031 -6.1031 -4.2906 -4.2906 -4.1545 -4.1545 -3.9248 -3.9248 -3.8500 -3.8500 -3.7048 -3.7048 -3.6932 -3.6932 -2.0810 -2.0810 2.7572 2.7572 4.8451 4.8451 5.7876 5.7876 6.2577 6.2577 7.8825 7.8825 8.0982 8.0982 9.0679 9.0679 9.4303 9.4303 k =-0.0625 0.0296-0.0000 ( 13571 PWs) bands (ev): -40.1711 -40.1711 -40.1622 -40.1622 -39.9607 -39.9607 -39.9574 -39.9574 -6.2860 -6.2860 -6.1293 -6.1293 -6.1079 -6.1079 -6.1032 -6.1032 -4.2903 -4.2903 -4.1545 -4.1545 -3.9245 -3.9245 -3.8500 -3.8500 -3.7047 -3.7047 -3.6936 -3.6936 -2.0761 -2.0761 2.7193 2.7193 4.8606 4.8606 5.8185 5.8185 6.2224 6.2224 7.9185 7.9185 8.1374 8.1374 9.0406 9.0406 9.4527 9.4527 k =-0.0781 0.0370-0.0000 ( 13565 PWs) bands (ev): -40.1711 -40.1711 -40.1622 -40.1622 -39.9607 -39.9607 -39.9574 -39.9574 -6.2859 -6.2859 -6.1291 -6.1291 -6.1079 -6.1079 -6.1033 -6.1033 -4.2900 -4.2900 -4.1545 -4.1545 -3.9243 -3.9243 -3.8499 -3.8499 -3.7046 -3.7046 -3.6940 -3.6940 -2.0698 -2.0698 2.6725 2.6725 4.8799 4.8799 5.8562 5.8562 6.1809 6.1809 7.9594 7.9594 8.1893 8.1893 9.0095 9.0095 9.4782 9.4782 k =-0.0938 0.0443-0.0000 ( 13555 PWs) bands (ev): -40.1711 -40.1711 -40.1622 -40.1622 -39.9607 -39.9607 -39.9574 -39.9574 -6.2858 -6.2858 -6.1288 -6.1288 -6.1078 -6.1078 -6.1035 -6.1035 -4.2896 -4.2896 -4.1545 -4.1545 -3.9239 -3.9239 -3.8499 -3.8499 -3.7046 -3.7046 -3.6945 -3.6945 -2.0621 -2.0621 2.6180 2.6180 4.9027 4.9027 5.8989 5.8989 6.1356 6.1356 8.0037 8.0037 8.2534 8.2534 8.9760 8.9760 9.5060 9.5060 k =-0.1094 0.0517-0.0000 ( 13559 PWs) bands (ev): -40.1710 -40.1710 -40.1622 -40.1622 -39.9607 -39.9607 -39.9574 -39.9574 -6.2856 -6.2856 -6.1285 -6.1285 -6.1078 -6.1078 -6.1036 -6.1036 -4.2892 -4.2892 -4.1545 -4.1545 -3.9236 -3.9236 -3.8499 -3.8499 -3.7046 -3.7046 -3.6950 -3.6950 -2.0532 -2.0532 2.5569 2.5569 4.9286 4.9286 5.9421 5.9421 6.0913 6.0913 8.0507 8.0507 8.3277 8.3277 8.9418 8.9418 9.5356 9.5356 k =-0.1250 0.0591-0.0000 ( 13561 PWs) bands (ev): -40.1710 -40.1710 -40.1622 -40.1622 -39.9607 -39.9607 -39.9574 -39.9574 -6.2854 -6.2854 -6.1281 -6.1281 -6.1077 -6.1077 -6.1038 -6.1038 -4.2887 -4.2887 -4.1546 -4.1546 -3.9231 -3.9231 -3.8498 -3.8498 -3.7047 -3.7047 -3.6954 -3.6954 -2.0430 -2.0430 2.4906 2.4906 4.9575 4.9575 5.9679 5.9679 6.0662 6.0662 8.1004 8.1004 8.4091 8.4091 8.9089 8.9089 9.5670 9.5670 k =-0.1406 0.0665-0.0000 ( 13563 PWs) bands (ev): -40.1710 -40.1710 -40.1622 -40.1622 -39.9607 -39.9607 -39.9574 -39.9574 -6.2852 -6.2852 -6.1277 -6.1277 -6.1076 -6.1076 -6.1040 -6.1040 -4.2881 -4.2881 -4.1546 -4.1546 -3.9227 -3.9227 -3.8498 -3.8498 -3.7049 -3.7049 -3.6959 -3.6959 -2.0316 -2.0316 2.4201 2.4201 4.9891 4.9891 5.9437 5.9437 6.0927 6.0927 8.1527 8.1527 8.4922 8.4922 8.8818 8.8818 9.6000 9.6000 k =-0.1562 0.0739-0.0000 ( 13567 PWs) bands (ev): -40.1710 -40.1710 -40.1623 -40.1623 -39.9607 -39.9607 -39.9574 -39.9574 -6.2850 -6.2850 -6.1273 -6.1273 -6.1076 -6.1076 -6.1043 -6.1043 -4.2875 -4.2875 -4.1546 -4.1546 -3.9222 -3.9222 -3.8497 -3.8497 -3.7052 -3.7052 -3.6962 -3.6962 -2.0190 -2.0190 2.3465 2.3465 5.0232 5.0232 5.8958 5.8958 6.1446 6.1446 8.2073 8.2073 8.5660 8.5660 8.8704 8.8704 9.6348 9.6348 k =-0.1719 0.0813-0.0000 ( 13579 PWs) bands (ev): -40.1709 -40.1709 -40.1623 -40.1623 -39.9607 -39.9607 -39.9574 -39.9574 -6.2847 -6.2847 -6.1268 -6.1268 -6.1075 -6.1075 -6.1045 -6.1045 -4.2869 -4.2869 -4.1547 -4.1547 -3.9216 -3.9216 -3.8496 -3.8496 -3.7057 -3.7057 -3.6964 -3.6964 -2.0054 -2.0054 2.2706 2.2706 5.0597 5.0597 5.8429 5.8429 6.2027 6.2027 8.2633 8.2633 8.6112 8.6112 8.8936 8.8936 9.6710 9.6710 k =-0.1875 0.0887-0.0000 ( 13591 PWs) bands (ev): -40.1709 -40.1709 -40.1623 -40.1623 -39.9607 -39.9607 -39.9574 -39.9574 -6.2845 -6.2845 -6.1263 -6.1263 -6.1075 -6.1075 -6.1047 -6.1047 -4.2862 -4.2862 -4.1547 -4.1547 -3.9211 -3.9211 -3.8496 -3.8496 -3.7063 -3.7063 -3.6965 -3.6965 -1.9908 -1.9908 2.1933 2.1933 5.0984 5.0984 5.7895 5.7895 6.2628 6.2628 8.3187 8.3187 8.6186 8.6186 8.9612 8.9612 9.7068 9.7068 k =-0.2031 0.0961-0.0000 ( 13589 PWs) bands (ev): -40.1709 -40.1709 -40.1623 -40.1623 -39.9607 -39.9607 -39.9574 -39.9574 -6.2842 -6.2842 -6.1258 -6.1258 -6.1074 -6.1074 -6.1050 -6.1050 -4.2855 -4.2855 -4.1548 -4.1548 -3.9205 -3.9205 -3.8495 -3.8495 -3.7072 -3.7072 -3.6965 -3.6965 -1.9753 -1.9753 2.1155 2.1155 5.1390 5.1390 5.7369 5.7369 6.3231 6.3231 8.3685 8.3685 8.6060 8.6060 9.0578 9.0578 9.7278 9.7278 k =-0.2188 0.1035-0.0000 ( 13581 PWs) bands (ev): -40.1708 -40.1708 -40.1624 -40.1624 -39.9607 -39.9607 -39.9574 -39.9574 -6.2839 -6.2839 -6.1253 -6.1253 -6.1074 -6.1074 -6.1052 -6.1052 -4.2848 -4.2848 -4.1548 -4.1548 -3.9199 -3.9199 -3.8494 -3.8494 -3.7081 -3.7081 -3.6963 -3.6963 -1.9589 -1.9589 2.0376 2.0376 5.1813 5.1813 5.6861 5.6861 6.3830 6.3830 8.4024 8.4024 8.5971 8.5971 9.1664 9.1664 9.6679 9.6679 k =-0.2344 0.1109-0.0000 ( 13571 PWs) bands (ev): -40.1708 -40.1708 -40.1624 -40.1624 -39.9607 -39.9607 -39.9574 -39.9574 -6.2836 -6.2836 -6.1247 -6.1247 -6.1074 -6.1074 -6.1055 -6.1055 -4.2840 -4.2840 -4.1549 -4.1549 -3.9193 -3.9193 -3.8494 -3.8494 -3.7092 -3.7092 -3.6960 -3.6960 -1.9420 -1.9420 1.9605 1.9605 5.2247 5.2247 5.6380 5.6380 6.4418 6.4418 8.4063 8.4063 8.6104 8.6104 9.2718 9.2718 9.5644 9.5644 k =-0.2500 0.1183-0.0000 ( 13581 PWs) bands (ev): -40.1708 -40.1708 -40.1624 -40.1624 -39.9607 -39.9607 -39.9574 -39.9574 -6.2833 -6.2833 -6.1241 -6.1241 -6.1074 -6.1074 -6.1057 -6.1057 -4.2833 -4.2833 -4.1550 -4.1550 -3.9187 -3.9187 -3.8493 -3.8493 -3.7103 -3.7103 -3.6957 -3.6957 -1.9244 -1.9244 1.8845 1.8845 5.2681 5.2681 5.5938 5.5938 6.4992 6.4992 8.3820 8.3820 8.6443 8.6443 9.3212 9.3212 9.5186 9.5186 k =-0.2656 0.1256-0.0000 ( 13581 PWs) bands (ev): -40.1707 -40.1707 -40.1625 -40.1625 -39.9607 -39.9607 -39.9574 -39.9574 -6.2830 -6.2830 -6.1235 -6.1235 -6.1074 -6.1074 -6.1060 -6.1060 -4.2825 -4.2825 -4.1551 -4.1551 -3.9180 -3.9180 -3.8492 -3.8492 -3.7115 -3.7115 -3.6953 -3.6953 -1.9065 -1.9065 1.8104 1.8104 5.3094 5.3094 5.5557 5.5557 6.5549 6.5549 8.3431 8.3431 8.6824 8.6824 9.2568 9.2568 9.5968 9.5968 k =-0.2812 0.1330-0.0000 ( 13583 PWs) bands (ev): -40.1707 -40.1707 -40.1625 -40.1625 -39.9607 -39.9607 -39.9574 -39.9574 -6.2828 -6.2828 -6.1229 -6.1229 -6.1075 -6.1075 -6.1062 -6.1062 -4.2818 -4.2818 -4.1551 -4.1551 -3.9174 -3.9174 -3.8492 -3.8492 -3.7127 -3.7127 -3.6949 -3.6949 -1.8883 -1.8883 1.7384 1.7384 5.3433 5.3433 5.5291 5.5291 6.6089 6.6089 8.2975 8.2975 8.7100 8.7100 9.1694 9.1694 9.7142 9.7142 k =-0.2969 0.1404-0.0000 ( 13589 PWs) bands (ev): -40.1707 -40.1707 -40.1625 -40.1625 -39.9608 -39.9608 -39.9574 -39.9574 -6.2825 -6.2825 -6.1223 -6.1223 -6.1076 -6.1076 -6.1064 -6.1064 -4.2810 -4.2810 -4.1552 -4.1552 -3.9168 -3.9168 -3.8491 -3.8491 -3.7140 -3.7140 -3.6945 -3.6945 -1.8701 -1.8701 1.6691 1.6691 5.3595 5.3595 5.5241 5.5241 6.6610 6.6610 8.2488 8.2488 8.7121 8.7121 9.1023 9.1023 9.8379 9.8379 k =-0.3125 0.1478-0.0000 ( 13598 PWs) bands (ev): -40.1706 -40.1706 -40.1626 -40.1626 -39.9608 -39.9608 -39.9574 -39.9574 -6.2822 -6.2822 -6.1217 -6.1217 -6.1077 -6.1077 -6.1065 -6.1065 -4.2803 -4.2803 -4.1553 -4.1553 -3.9163 -3.9163 -3.8490 -3.8490 -3.7151 -3.7151 -3.6941 -3.6941 -1.8519 -1.8519 1.6030 1.6030 5.3522 5.3522 5.5463 5.5463 6.7111 6.7111 8.1988 8.1988 8.6766 8.6766 9.0712 9.0712 9.9608 9.9608 k =-0.3281 0.1552-0.0000 ( 13574 PWs) bands (ev): -40.1706 -40.1706 -40.1626 -40.1626 -39.9608 -39.9608 -39.9574 -39.9574 -6.2819 -6.2819 -6.1211 -6.1211 -6.1079 -6.1079 -6.1066 -6.1066 -4.2796 -4.2796 -4.1554 -4.1554 -3.9157 -3.9157 -3.8490 -3.8490 -3.7163 -3.7163 -3.6936 -3.6936 -1.8341 -1.8341 1.5403 1.5403 5.3309 5.3309 5.5860 5.5860 6.7591 6.7591 8.1485 8.1485 8.6086 8.6086 9.0717 9.0717 10.0802 10.0802 k =-0.3438 0.1626-0.0000 ( 13578 PWs) bands (ev): -40.1706 -40.1706 -40.1626 -40.1626 -39.9608 -39.9608 -39.9574 -39.9574 -6.2817 -6.2817 -6.1205 -6.1205 -6.1081 -6.1081 -6.1067 -6.1067 -4.2789 -4.2789 -4.1555 -4.1555 -3.9152 -3.9152 -3.8489 -3.8489 -3.7174 -3.7174 -3.6932 -3.6932 -1.8167 -1.8167 1.4815 1.4815 5.3051 5.3051 5.6333 5.6333 6.8049 6.8049 8.0988 8.0988 8.5239 8.5239 9.0887 9.0887 10.1940 10.1940 k =-0.3594 0.1700-0.0000 ( 13578 PWs) bands (ev): -40.1705 -40.1705 -40.1626 -40.1626 -39.9608 -39.9608 -39.9574 -39.9574 -6.2814 -6.2814 -6.1199 -6.1199 -6.1083 -6.1083 -6.1068 -6.1068 -4.2782 -4.2782 -4.1556 -4.1556 -3.9147 -3.9147 -3.8489 -3.8489 -3.7185 -3.7185 -3.6928 -3.6928 -1.8001 -1.8001 1.4270 1.4270 5.2789 5.2789 5.6835 5.6835 6.8483 6.8483 8.0504 8.0504 8.4339 8.4339 9.1114 9.1114 10.3004 10.3004 k =-0.3750 0.1774-0.0000 ( 13578 PWs) bands (ev): -40.1705 -40.1705 -40.1627 -40.1627 -39.9608 -39.9608 -39.9574 -39.9574 -6.2812 -6.2812 -6.1194 -6.1194 -6.1085 -6.1085 -6.1068 -6.1068 -4.2777 -4.2777 -4.1556 -4.1556 -3.9143 -3.9143 -3.8488 -3.8488 -3.7194 -3.7194 -3.6925 -3.6925 -1.7845 -1.7845 1.3771 1.3771 5.2541 5.2541 5.7343 5.7343 6.8891 6.8891 8.0041 8.0041 8.3444 8.3444 9.1346 9.1346 10.3968 10.3968 k =-0.3906 0.1848-0.0000 ( 13586 PWs) bands (ev): -40.1705 -40.1705 -40.1627 -40.1627 -39.9608 -39.9608 -39.9574 -39.9574 -6.2810 -6.2810 -6.1189 -6.1189 -6.1087 -6.1087 -6.1069 -6.1069 -4.2771 -4.2771 -4.1557 -4.1557 -3.9139 -3.9139 -3.8488 -3.8488 -3.7203 -3.7203 -3.6921 -3.6921 -1.7700 -1.7700 1.3322 1.3322 5.2315 5.2315 5.7841 5.7841 6.9268 6.9268 7.9610 7.9610 8.2587 8.2587 9.1562 9.1562 10.4798 10.4798 k =-0.4062 0.1922-0.0000 ( 13590 PWs) bands (ev): -40.1705 -40.1705 -40.1627 -40.1627 -39.9608 -39.9608 -39.9574 -39.9574 -6.2808 -6.2808 -6.1184 -6.1184 -6.1089 -6.1089 -6.1070 -6.1070 -4.2766 -4.2766 -4.1558 -4.1558 -3.9135 -3.9135 -3.8487 -3.8487 -3.7211 -3.7211 -3.6918 -3.6918 -1.7569 -1.7569 1.2925 1.2925 5.2115 5.2115 5.8315 5.8315 6.9610 6.9610 7.9223 7.9223 8.1787 8.1787 9.1752 9.1752 10.5465 10.5465 k =-0.4219 0.1996-0.0000 ( 13582 PWs) bands (ev): -40.1704 -40.1704 -40.1627 -40.1627 -39.9608 -39.9608 -39.9574 -39.9574 -6.2807 -6.2807 -6.1180 -6.1180 -6.1091 -6.1091 -6.1070 -6.1070 -4.2762 -4.2762 -4.1558 -4.1558 -3.9132 -3.9132 -3.8487 -3.8487 -3.7217 -3.7217 -3.6915 -3.6915 -1.7454 -1.7454 1.2584 1.2584 5.1943 5.1943 5.8752 5.8752 6.9910 6.9910 7.8894 7.8894 8.1055 8.1055 9.1912 9.1912 10.5957 10.5957 k =-0.4375 0.2069-0.0000 ( 13568 PWs) bands (ev): -40.1704 -40.1704 -40.1627 -40.1627 -39.9608 -39.9608 -39.9574 -39.9574 -6.2806 -6.2806 -6.1177 -6.1177 -6.1092 -6.1092 -6.1071 -6.1071 -4.2759 -4.2759 -4.1559 -4.1559 -3.9130 -3.9130 -3.8487 -3.8487 -3.7223 -3.7223 -3.6913 -3.6913 -1.7357 -1.7357 1.2301 1.2301 5.1801 5.1801 5.9138 5.9138 7.0164 7.0164 7.8638 7.8638 8.0402 8.0402 9.2042 9.2042 10.6293 10.6293 k =-0.4531 0.2143-0.0000 ( 13580 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2805 -6.2805 -6.1174 -6.1174 -6.1093 -6.1093 -6.1072 -6.1072 -4.2756 -4.2756 -4.1559 -4.1559 -3.9128 -3.9128 -3.8487 -3.8487 -3.7228 -3.7228 -3.6911 -3.6911 -1.7279 -1.7279 1.2079 1.2079 5.1690 5.1690 5.9459 5.9459 7.0365 7.0365 7.8469 7.8469 7.9836 7.9836 9.2142 9.2142 10.6506 10.6507 k =-0.4688 0.2217-0.0000 ( 13570 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2804 -6.2804 -6.1172 -6.1172 -6.1094 -6.1094 -6.1072 -6.1072 -4.2754 -4.2754 -4.1560 -4.1560 -3.9126 -3.9126 -3.8486 -3.8486 -3.7231 -3.7231 -3.6910 -3.6910 -1.7223 -1.7223 1.1919 1.1919 5.1610 5.1610 5.9700 5.9700 7.0511 7.0511 7.8397 7.8397 7.9368 7.9368 9.2213 9.2213 10.6633 10.6633 k =-0.4844 0.2291-0.0000 ( 13572 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2803 -6.2803 -6.1171 -6.1171 -6.1095 -6.1095 -6.1072 -6.1072 -4.2753 -4.2753 -4.1560 -4.1560 -3.9125 -3.9125 -3.8486 -3.8486 -3.7233 -3.7233 -3.6909 -3.6909 -1.7189 -1.7189 1.1822 1.1822 5.1562 5.1562 5.9850 5.9850 7.0598 7.0598 7.8416 7.8416 7.9019 7.9019 9.2255 9.2255 10.6700 10.6700 k =-0.5000 0.2365-0.0000 ( 13592 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2803 -6.2803 -6.1170 -6.1170 -6.1095 -6.1095 -6.1072 -6.1072 -4.2753 -4.2753 -4.1560 -4.1560 -3.9125 -3.9125 -3.8486 -3.8486 -3.7233 -3.7233 -3.6909 -3.6909 -1.7177 -1.7177 1.1790 1.1790 5.1546 5.1546 5.9901 5.9901 7.0627 7.0627 7.8459 7.8459 7.8865 7.8865 9.2269 9.2269 10.6720 10.6720 k =-0.5000 0.2365-0.0000 ( 13592 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2803 -6.2803 -6.1170 -6.1170 -6.1095 -6.1095 -6.1072 -6.1072 -4.2753 -4.2753 -4.1560 -4.1560 -3.9125 -3.9125 -3.8486 -3.8486 -3.7233 -3.7233 -3.6909 -3.6909 -1.7177 -1.7177 1.1790 1.1790 5.1546 5.1546 5.9901 5.9901 7.0627 7.0627 7.8459 7.8459 7.8865 7.8865 9.2269 9.2269 10.6720 10.6720 k =-0.4925 0.2523-0.0000 ( 13588 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2803 -6.2803 -6.1170 -6.1170 -6.1095 -6.1095 -6.1072 -6.1072 -4.2753 -4.2753 -4.1560 -4.1560 -3.9125 -3.9125 -3.8486 -3.8486 -3.7233 -3.7233 -3.6909 -3.6909 -1.7172 -1.7172 1.1801 1.1801 5.1470 5.1470 5.9912 5.9912 7.0628 7.0628 7.8456 7.8456 7.8947 7.8947 9.2283 9.2283 10.6592 10.6592 k =-0.4851 0.2681-0.0000 ( 13582 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2803 -6.2803 -6.1170 -6.1170 -6.1095 -6.1095 -6.1072 -6.1072 -4.2753 -4.2753 -4.1561 -4.1561 -3.9125 -3.9125 -3.8484 -3.8484 -3.7233 -3.7233 -3.6909 -3.6909 -1.7157 -1.7157 1.1833 1.1833 5.1245 5.1245 5.9946 5.9946 7.0630 7.0630 7.8469 7.8469 7.9166 7.9166 9.2326 9.2326 10.6203 10.6203 k =-0.4776 0.2838-0.0000 ( 13584 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2803 -6.2803 -6.1169 -6.1169 -6.1094 -6.1094 -6.1072 -6.1072 -4.2753 -4.2753 -4.1563 -4.1563 -3.9124 -3.9124 -3.8481 -3.8481 -3.7231 -3.7231 -3.6909 -3.6909 -1.7131 -1.7131 1.1888 1.1888 5.0880 5.0880 6.0001 6.0001 7.0635 7.0635 7.8515 7.8515 7.9488 7.9488 9.2405 9.2405 10.5550 10.5550 k =-0.4701 0.2996-0.0000 ( 13582 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9607 -39.9607 -39.9574 -39.9574 -6.2804 -6.2804 -6.1169 -6.1169 -6.1094 -6.1094 -6.1072 -6.1072 -4.2754 -4.2754 -4.1565 -4.1565 -3.9123 -3.9123 -3.8477 -3.8477 -3.7230 -3.7230 -3.6908 -3.6908 -1.7096 -1.7096 1.1963 1.1963 5.0390 5.0390 6.0076 6.0076 7.0643 7.0643 7.8597 7.8597 7.9883 7.9883 9.2528 9.2528 10.4644 10.4644 k =-0.4627 0.3154-0.0000 ( 13578 PWs) bands (ev): -40.1704 -40.1704 -40.1627 -40.1627 -39.9607 -39.9607 -39.9575 -39.9575 -6.2804 -6.2804 -6.1168 -6.1168 -6.1093 -6.1093 -6.1072 -6.1072 -4.2755 -4.2755 -4.1567 -4.1567 -3.9121 -3.9121 -3.8471 -3.8471 -3.7228 -3.7228 -3.6908 -3.6908 -1.7051 -1.7051 1.2061 1.2061 4.9792 4.9792 6.0171 6.0171 7.0656 7.0656 7.8715 7.8715 8.0322 8.0322 9.2709 9.2709 10.3524 10.3524 k =-0.4552 0.3312-0.0000 ( 13572 PWs) bands (ev): -40.1704 -40.1704 -40.1627 -40.1627 -39.9607 -39.9607 -39.9575 -39.9575 -6.2804 -6.2804 -6.1167 -6.1167 -6.1092 -6.1092 -6.1072 -6.1072 -4.2756 -4.2756 -4.1570 -4.1570 -3.9119 -3.9119 -3.8465 -3.8465 -3.7226 -3.7226 -3.6908 -3.6908 -1.6996 -1.6996 1.2180 1.2180 4.9104 4.9104 6.0284 6.0284 7.0674 7.0674 7.8865 7.8865 8.0770 8.0770 9.2960 9.2960 10.2250 10.2250 k =-0.4478 0.3470-0.0000 ( 13560 PWs) bands (ev): -40.1704 -40.1704 -40.1627 -40.1627 -39.9607 -39.9607 -39.9575 -39.9575 -6.2804 -6.2804 -6.1167 -6.1167 -6.1091 -6.1091 -6.1072 -6.1072 -4.2757 -4.2757 -4.1574 -4.1574 -3.9117 -3.9117 -3.8457 -3.8457 -3.7223 -3.7223 -3.6907 -3.6907 -1.6933 -1.6933 1.2320 1.2320 4.8344 4.8344 6.0413 6.0413 7.0697 7.0697 7.9047 7.9047 8.1191 8.1191 9.3294 9.3294 10.0883 10.0883 k =-0.4403 0.3627-0.0000 ( 13564 PWs) bands (ev): -40.1704 -40.1704 -40.1627 -40.1627 -39.9607 -39.9607 -39.9575 -39.9575 -6.2804 -6.2804 -6.1166 -6.1166 -6.1090 -6.1090 -6.1071 -6.1071 -4.2759 -4.2759 -4.1578 -4.1578 -3.9115 -3.9115 -3.8449 -3.8449 -3.7220 -3.7220 -3.6907 -3.6907 -1.6861 -1.6861 1.2482 1.2482 4.7528 4.7528 6.0557 6.0557 7.0725 7.0725 7.9258 7.9258 8.1555 8.1555 9.3709 9.3709 9.9485 9.9485 k =-0.4328 0.3785-0.0000 ( 13558 PWs) bands (ev): -40.1704 -40.1704 -40.1627 -40.1627 -39.9606 -39.9606 -39.9576 -39.9576 -6.2805 -6.2805 -6.1165 -6.1165 -6.1088 -6.1088 -6.1071 -6.1071 -4.2760 -4.2760 -4.1582 -4.1582 -3.9113 -3.9113 -3.8439 -3.8439 -3.7217 -3.7217 -3.6906 -3.6906 -1.6782 -1.6782 1.2665 1.2665 4.6671 4.6671 6.0715 6.0715 7.0757 7.0757 7.9498 7.9498 8.1834 8.1834 9.4163 9.4163 9.8141 9.8141 k =-0.4254 0.3943-0.0000 ( 13554 PWs) bands (ev): -40.1704 -40.1704 -40.1627 -40.1627 -39.9606 -39.9606 -39.9576 -39.9576 -6.2805 -6.2805 -6.1164 -6.1164 -6.1087 -6.1087 -6.1070 -6.1070 -4.2762 -4.2762 -4.1587 -4.1587 -3.9110 -3.9110 -3.8429 -3.8429 -3.7213 -3.7213 -3.6905 -3.6905 -1.6696 -1.6696 1.2869 1.2869 4.5787 4.5787 6.0883 6.0883 7.0791 7.0791 7.9766 7.9766 8.2016 8.2016 9.4446 9.4446 9.7086 9.7086 k =-0.4179 0.4101-0.0000 ( 13544 PWs) bands (ev): -40.1704 -40.1704 -40.1627 -40.1627 -39.9606 -39.9606 -39.9576 -39.9576 -6.2805 -6.2805 -6.1163 -6.1163 -6.1086 -6.1086 -6.1070 -6.1070 -4.2764 -4.2764 -4.1593 -4.1593 -3.9108 -3.9108 -3.8418 -3.8418 -3.7209 -3.7209 -3.6905 -3.6905 -1.6603 -1.6603 1.3093 1.3093 4.4887 4.4887 6.1061 6.1061 7.0826 7.0826 8.0059 8.0059 8.2095 8.2095 9.3988 9.3988 9.6898 9.6898 k =-0.4104 0.4259-0.0000 ( 13550 PWs) bands (ev): -40.1704 -40.1704 -40.1626 -40.1626 -39.9606 -39.9606 -39.9577 -39.9577 -6.2806 -6.2806 -6.1162 -6.1162 -6.1084 -6.1084 -6.1069 -6.1069 -4.2766 -4.2766 -4.1598 -4.1598 -3.9105 -3.9105 -3.8407 -3.8407 -3.7204 -3.7204 -3.6904 -3.6904 -1.6506 -1.6506 1.3338 1.3338 4.3981 4.3981 6.1244 6.1244 7.0861 7.0861 8.0373 8.0373 8.2081 8.2081 9.2859 9.2859 9.7503 9.7503 k =-0.4030 0.4416-0.0000 ( 13562 PWs) bands (ev): -40.1704 -40.1704 -40.1626 -40.1626 -39.9605 -39.9605 -39.9578 -39.9578 -6.2806 -6.2806 -6.1161 -6.1161 -6.1083 -6.1083 -6.1068 -6.1068 -4.2768 -4.2768 -4.1604 -4.1604 -3.9102 -3.9102 -3.8395 -3.8395 -3.7199 -3.7199 -3.6903 -3.6903 -1.6404 -1.6404 1.3602 1.3602 4.3077 4.3077 6.1431 6.1431 7.0892 7.0892 8.0695 8.0695 8.1994 8.1994 9.1548 9.1548 9.8397 9.8397 k =-0.3955 0.4574-0.0000 ( 13560 PWs) bands (ev): -40.1704 -40.1704 -40.1626 -40.1626 -39.9605 -39.9605 -39.9578 -39.9578 -6.2806 -6.2806 -6.1160 -6.1160 -6.1082 -6.1082 -6.1067 -6.1067 -4.2771 -4.2771 -4.1610 -4.1610 -3.9100 -3.9100 -3.8383 -3.8383 -3.7194 -3.7194 -3.6903 -3.6903 -1.6299 -1.6299 1.3887 1.3887 4.2185 4.2185 6.1616 6.1616 7.0917 7.0917 8.0983 8.0983 8.1889 8.1889 9.0213 9.0213 9.9400 9.9400 k =-0.3880 0.4732-0.0000 ( 13560 PWs) bands (ev): -40.1704 -40.1704 -40.1626 -40.1626 -39.9605 -39.9605 -39.9579 -39.9579 -6.2807 -6.2807 -6.1160 -6.1160 -6.1080 -6.1080 -6.1066 -6.1066 -4.2773 -4.2773 -4.1616 -4.1616 -3.9097 -3.9097 -3.8371 -3.8371 -3.7188 -3.7188 -3.6902 -3.6902 -1.6191 -1.6191 1.4191 1.4191 4.1310 4.1310 6.1798 6.1798 7.0932 7.0932 8.1091 8.1091 8.1925 8.1925 8.8902 8.8902 10.0291 10.0291 k =-0.3806 0.4890-0.0000 ( 13572 PWs) bands (ev): -40.1704 -40.1704 -40.1626 -40.1626 -39.9604 -39.9604 -39.9579 -39.9579 -6.2807 -6.2807 -6.1159 -6.1159 -6.1079 -6.1079 -6.1064 -6.1064 -4.2776 -4.2776 -4.1622 -4.1622 -3.9095 -3.9095 -3.8358 -3.8358 -3.7182 -3.7182 -3.6902 -3.6902 -1.6084 -1.6084 1.4514 1.4514 4.0459 4.0459 6.1969 6.1969 7.0935 7.0935 8.0920 8.0920 8.2209 8.2209 8.7638 8.7638 9.9495 9.9495 k =-0.3731 0.5048-0.0000 ( 13576 PWs) bands (ev): -40.1704 -40.1704 -40.1625 -40.1625 -39.9604 -39.9604 -39.9580 -39.9580 -6.2808 -6.2808 -6.1159 -6.1159 -6.1078 -6.1078 -6.1063 -6.1063 -4.2779 -4.2779 -4.1629 -4.1629 -3.9093 -3.9093 -3.8345 -3.8345 -3.7176 -3.7176 -3.6901 -3.6901 -1.5976 -1.5976 1.4855 1.4855 3.9637 3.9637 6.2126 6.2126 7.0919 7.0919 8.0607 8.0607 8.2609 8.2609 8.6438 8.6438 9.8493 9.8493 k =-0.3656 0.5205-0.0000 ( 13568 PWs) bands (ev): -40.1704 -40.1704 -40.1625 -40.1625 -39.9603 -39.9603 -39.9581 -39.9581 -6.2809 -6.2809 -6.1158 -6.1158 -6.1077 -6.1077 -6.1061 -6.1061 -4.2781 -4.2781 -4.1635 -4.1635 -3.9091 -3.9091 -3.8333 -3.8333 -3.7170 -3.7170 -3.6901 -3.6901 -1.5871 -1.5871 1.5214 1.5214 3.8849 3.8849 6.2263 6.2263 7.0880 7.0880 8.0234 8.0234 8.3028 8.3028 8.5339 8.5339 9.7522 9.7522 k =-0.3582 0.5363-0.0000 ( 13550 PWs) bands (ev): -40.1704 -40.1704 -40.1625 -40.1625 -39.9603 -39.9603 -39.9581 -39.9581 -6.2809 -6.2809 -6.1158 -6.1158 -6.1076 -6.1076 -6.1059 -6.1059 -4.2784 -4.2784 -4.1641 -4.1641 -3.9089 -3.9089 -3.8320 -3.8320 -3.7163 -3.7163 -3.6901 -3.6901 -1.5770 -1.5770 1.5590 1.5590 3.8099 3.8099 6.2374 6.2374 7.0811 7.0811 7.9829 7.9829 8.3287 8.3287 8.4510 8.4510 9.6598 9.6598 k =-0.3507 0.5521-0.0000 ( 13556 PWs) bands (ev): -40.1704 -40.1704 -40.1625 -40.1625 -39.9602 -39.9602 -39.9582 -39.9582 -6.2810 -6.2810 -6.1157 -6.1157 -6.1076 -6.1076 -6.1057 -6.1057 -4.2787 -4.2787 -4.1647 -4.1647 -3.9087 -3.9087 -3.8308 -3.8308 -3.7156 -3.7156 -3.6901 -3.6901 -1.5674 -1.5674 1.5983 1.5983 3.7392 3.7392 6.2452 6.2452 7.0708 7.0708 7.9406 7.9406 8.2828 8.2828 8.4508 8.4508 9.5731 9.5731 k =-0.3433 0.5679-0.0000 ( 13562 PWs) bands (ev): -40.1704 -40.1704 -40.1624 -40.1624 -39.9602 -39.9602 -39.9583 -39.9583 -6.2811 -6.2811 -6.1157 -6.1157 -6.1075 -6.1075 -6.1056 -6.1056 -4.2790 -4.2790 -4.1653 -4.1653 -3.9086 -3.9086 -3.8296 -3.8296 -3.7149 -3.7149 -3.6901 -3.6901 -1.5584 -1.5584 1.6392 1.6392 3.6733 3.6733 6.2491 6.2491 7.0563 7.0563 7.8975 7.8975 8.2004 8.2004 8.4984 8.4984 9.4929 9.4929 k =-0.3358 0.5837-0.0000 ( 13558 PWs) bands (ev): -40.1704 -40.1704 -40.1624 -40.1624 -39.9601 -39.9601 -39.9584 -39.9584 -6.2812 -6.2812 -6.1157 -6.1157 -6.1075 -6.1075 -6.1054 -6.1054 -4.2793 -4.2793 -4.1659 -4.1659 -3.9085 -3.9085 -3.8285 -3.8285 -3.7142 -3.7142 -3.6901 -3.6901 -1.5503 -1.5503 1.6815 1.6815 3.6123 3.6123 6.2485 6.2485 7.0371 7.0371 7.8538 7.8538 8.1193 8.1193 8.5566 8.5566 9.4202 9.4202 k =-0.3283 0.5994-0.0000 ( 13564 PWs) bands (ev): -40.1704 -40.1704 -40.1624 -40.1624 -39.9600 -39.9600 -39.9584 -39.9584 -6.2812 -6.2812 -6.1157 -6.1157 -6.1075 -6.1075 -6.1052 -6.1052 -4.2797 -4.2797 -4.1664 -4.1664 -3.9084 -3.9084 -3.8275 -3.8275 -3.7135 -3.7135 -3.6901 -3.6901 -1.5432 -1.5432 1.7252 1.7252 3.5567 3.5567 6.2430 6.2430 7.0130 7.0130 7.8093 7.8093 8.0462 8.0462 8.6198 8.6198 9.3559 9.3559 k =-0.3209 0.6152-0.0000 ( 13560 PWs) bands (ev): -40.1704 -40.1704 -40.1624 -40.1624 -39.9600 -39.9600 -39.9585 -39.9585 -6.2813 -6.2813 -6.1157 -6.1157 -6.1075 -6.1075 -6.1050 -6.1050 -4.2800 -4.2800 -4.1669 -4.1669 -3.9084 -3.9084 -3.8265 -3.8265 -3.7127 -3.7127 -3.6902 -3.6902 -1.5372 -1.5372 1.7702 1.7702 3.5067 3.5067 6.2321 6.2321 6.9838 6.9838 7.7630 7.7630 7.9835 7.9835 8.6867 8.6867 9.3008 9.3008 k =-0.3134 0.6310-0.0000 ( 13544 PWs) bands (ev): -40.1704 -40.1704 -40.1624 -40.1624 -39.9599 -39.9599 -39.9586 -39.9586 -6.2814 -6.2814 -6.1156 -6.1156 -6.1075 -6.1075 -6.1049 -6.1049 -4.2803 -4.2803 -4.1673 -4.1673 -3.9084 -3.9084 -3.8255 -3.8255 -3.7120 -3.7120 -3.6902 -3.6902 -1.5325 -1.5325 1.8163 1.8163 3.4627 3.4627 6.2156 6.2156 6.9498 6.9498 7.7138 7.7138 7.9326 7.9326 8.7568 8.7568 9.2557 9.2557 k =-0.3059 0.6468-0.0000 ( 13544 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9598 -39.9598 -39.9587 -39.9587 -6.2815 -6.2815 -6.1156 -6.1156 -6.1076 -6.1076 -6.1047 -6.1047 -4.2806 -4.2806 -4.1678 -4.1678 -3.9085 -3.9085 -3.8247 -3.8247 -3.7113 -3.7113 -3.6903 -3.6903 -1.5293 -1.5293 1.8634 1.8634 3.4249 3.4249 6.1936 6.1936 6.9114 6.9114 7.6610 7.6610 7.8937 7.8937 8.8298 8.8298 9.2213 9.2213 k =-0.3059 0.6468-0.0000 ( 13544 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9598 -39.9598 -39.9587 -39.9587 -6.2815 -6.2815 -6.1156 -6.1156 -6.1076 -6.1076 -6.1047 -6.1047 -4.2806 -4.2806 -4.1678 -4.1678 -3.9085 -3.9085 -3.8247 -3.8247 -3.7113 -3.7113 -3.6903 -3.6903 -1.5293 -1.5293 1.8634 1.8634 3.4249 3.4249 6.1936 6.1936 6.9114 6.9114 7.6610 7.6610 7.8937 7.8937 8.8298 8.8298 9.2213 9.2213 k =-0.3059 0.6468 0.0176 ( 13548 PWs) bands (ev): -40.1704 -40.1704 -40.1623 -40.1623 -39.9598 -39.9598 -39.9587 -39.9587 -6.2815 -6.2815 -6.1178 -6.1178 -6.1065 -6.1065 -6.1037 -6.1037 -4.2804 -4.2804 -4.1678 -4.1678 -3.9082 -3.9082 -3.8254 -3.8254 -3.7134 -3.7134 -3.6875 -3.6875 -1.5279 -1.5279 1.8632 1.8632 3.4263 3.4263 6.1601 6.1601 6.9290 6.9290 7.6485 7.6485 7.9081 7.9081 8.8384 8.8384 9.2184 9.2184 k =-0.3059 0.6468 0.0351 ( 13554 PWs) bands (ev): -40.1704 -40.1704 -40.1624 -40.1624 -39.9598 -39.9598 -39.9587 -39.9587 -6.2816 -6.2816 -6.1220 -6.1220 -6.1058 -6.1058 -6.1004 -6.1004 -4.2798 -4.2798 -4.1680 -4.1680 -3.9075 -3.9075 -3.8274 -3.8274 -3.7179 -3.7179 -3.6812 -3.6812 -1.5235 -1.5235 1.8624 1.8624 3.4305 3.4305 6.0715 6.0715 6.9682 6.9682 7.6150 7.6150 7.9494 7.9494 8.8630 8.8630 9.2106 9.2106 k =-0.3059 0.6468 0.0527 ( 13556 PWs) bands (ev): -40.1704 -40.1704 -40.1624 -40.1624 -39.9598 -39.9598 -39.9587 -39.9587 -6.2816 -6.2816 -6.1268 -6.1268 -6.1055 -6.1055 -6.0964 -6.0964 -4.2787 -4.2787 -4.1683 -4.1683 -3.9062 -3.9062 -3.8307 -3.8307 -3.7227 -3.7227 -3.6734 -3.6734 -1.5163 -1.5163 1.8610 1.8610 3.4375 3.4375 5.9495 5.9495 7.0045 7.0045 7.5679 7.5679 8.0151 8.0151 8.9014 8.9014 9.2010 9.2010 k =-0.3059 0.6468 0.0702 ( 13554 PWs) bands (ev): -40.1703 -40.1703 -40.1624 -40.1624 -39.9598 -39.9598 -39.9587 -39.9587 -6.2816 -6.2816 -6.1318 -6.1318 -6.1052 -6.1052 -6.0923 -6.0923 -4.2773 -4.2773 -4.1688 -4.1688 -3.9045 -3.9045 -3.8351 -3.8351 -3.7272 -3.7272 -3.6649 -3.6649 -1.5062 -1.5062 1.8588 1.8588 3.4472 3.4472 5.8097 5.8097 7.0205 7.0205 7.5127 7.5127 8.1029 8.1029 8.9502 8.9502 9.1941 9.1941 k =-0.3059 0.6468 0.0878 ( 13551 PWs) bands (ev): -40.1703 -40.1703 -40.1624 -40.1624 -39.9598 -39.9598 -39.9587 -39.9587 -6.2817 -6.2817 -6.1369 -6.1369 -6.1049 -6.1049 -6.0884 -6.0884 -4.2754 -4.2754 -4.1693 -4.1693 -3.9024 -3.9024 -3.8403 -3.8403 -3.7311 -3.7311 -3.6561 -3.6561 -1.4931 -1.4931 1.8557 1.8557 3.4597 3.4597 5.6614 5.6614 7.0091 7.0091 7.4529 7.4529 8.2076 8.2076 9.0064 9.0064 9.1956 9.1956 k =-0.3059 0.6468 0.1053 ( 13553 PWs) bands (ev): -40.1702 -40.1702 -40.1625 -40.1625 -39.9598 -39.9598 -39.9587 -39.9587 -6.2817 -6.2817 -6.1420 -6.1420 -6.1045 -6.1045 -6.0846 -6.0846 -4.2732 -4.2732 -4.1700 -4.1700 -3.8999 -3.8999 -3.8463 -3.8463 -3.7344 -3.7344 -3.6473 -3.6473 -1.4771 -1.4771 1.8514 1.8514 3.4749 3.4749 5.5098 5.5098 6.9710 6.9710 7.3902 7.3902 8.3200 8.3200 9.0667 9.0667 9.2133 9.2133 k =-0.3059 0.6468 0.1229 ( 13553 PWs) bands (ev): -40.1702 -40.1702 -40.1625 -40.1625 -39.9598 -39.9598 -39.9587 -39.9587 -6.2818 -6.2818 -6.1472 -6.1472 -6.1040 -6.1040 -6.0811 -6.0811 -4.2707 -4.2707 -4.1707 -4.1707 -3.8971 -3.8971 -3.8528 -3.8528 -3.7372 -3.7372 -3.6385 -3.6385 -1.4581 -1.4581 1.8455 1.8455 3.4928 3.4928 5.3583 5.3583 6.9106 6.9106 7.3249 7.3249 8.4287 8.4287 9.1270 9.1270 9.2576 9.2576 k =-0.3059 0.6468 0.1404 ( 13564 PWs) bands (ev): -40.1701 -40.1701 -40.1626 -40.1626 -39.9598 -39.9598 -39.9587 -39.9587 -6.2818 -6.2818 -6.1523 -6.1523 -6.1034 -6.1034 -6.0778 -6.0778 -4.2678 -4.2678 -4.1715 -4.1715 -3.8942 -3.8942 -3.8594 -3.8594 -3.7395 -3.7395 -3.6300 -3.6300 -1.4360 -1.4360 1.8377 1.8377 3.5132 3.5132 5.2094 5.2094 6.8335 6.8335 7.2560 7.2560 8.5230 8.5230 9.1841 9.1841 9.3376 9.3376 k =-0.3059 0.6468 0.1580 ( 13548 PWs) bands (ev): -40.1700 -40.1700 -40.1627 -40.1627 -39.9598 -39.9598 -39.9587 -39.9587 -6.2818 -6.2818 -6.1574 -6.1574 -6.1028 -6.1028 -6.0747 -6.0747 -4.2648 -4.2648 -4.1723 -4.1723 -3.8913 -3.8913 -3.8657 -3.8657 -3.7414 -3.7414 -3.6218 -3.6218 -1.4108 -1.4108 1.8274 1.8274 3.5362 3.5362 5.0647 5.0647 6.7445 6.7445 7.1830 7.1830 8.5970 8.5970 9.2394 9.2394 9.4538 9.4538 k =-0.3059 0.6468 0.1755 ( 13552 PWs) bands (ev): -40.1699 -40.1699 -40.1628 -40.1628 -39.9598 -39.9598 -39.9587 -39.9587 -6.2818 -6.2818 -6.1625 -6.1625 -6.1021 -6.1021 -6.0720 -6.0720 -4.2616 -4.2616 -4.1732 -4.1732 -3.8894 -3.8894 -3.8708 -3.8708 -3.7428 -3.7428 -3.6141 -3.6141 -1.3826 -1.3826 1.8142 1.8142 3.5617 3.5617 4.9259 4.9259 6.6471 6.6471 7.1056 7.1056 8.6519 8.6519 9.2944 9.2944 9.6005 9.6005 k =-0.3059 0.6468 0.1931 ( 13538 PWs) bands (ev): -40.1698 -40.1698 -40.1628 -40.1628 -39.9598 -39.9598 -39.9588 -39.9588 -6.2817 -6.2817 -6.1676 -6.1676 -6.1014 -6.1014 -6.0695 -6.0695 -4.2582 -4.2582 -4.1741 -4.1741 -3.8901 -3.8901 -3.8731 -3.8731 -3.7439 -3.7439 -3.6068 -3.6068 -1.3511 -1.3511 1.7975 1.7975 3.5894 3.5894 4.7942 4.7942 6.5442 6.5442 7.0237 7.0237 8.6928 8.6928 9.3490 9.3490 9.7702 9.7702 k =-0.3059 0.6468 0.2106 ( 13534 PWs) bands (ev): -40.1697 -40.1697 -40.1629 -40.1629 -39.9598 -39.9598 -39.9588 -39.9588 -6.2817 -6.2817 -6.1725 -6.1725 -6.1005 -6.1005 -6.0672 -6.0672 -4.2547 -4.2547 -4.1749 -4.1749 -3.8939 -3.8939 -3.8719 -3.8719 -3.7446 -3.7446 -3.6002 -3.6002 -1.3165 -1.3165 1.7765 1.7765 3.6193 3.6193 4.6709 4.6709 6.4376 6.4376 6.9379 6.9379 8.7255 8.7255 9.4024 9.4024 9.9555 9.9555 k =-0.3059 0.6468 0.2282 ( 13542 PWs) bands (ev): -40.1696 -40.1696 -40.1630 -40.1630 -39.9598 -39.9598 -39.9588 -39.9588 -6.2815 -6.2815 -6.1774 -6.1774 -6.0996 -6.0996 -6.0653 -6.0653 -4.2513 -4.2513 -4.1758 -4.1758 -3.8990 -3.8990 -3.8690 -3.8690 -3.7449 -3.7449 -3.5941 -3.5941 -1.2786 -1.2786 1.7507 1.7507 3.6510 3.6510 4.5574 4.5574 6.3287 6.3287 6.8486 6.8486 8.7540 8.7540 9.4540 9.4540 10.1503 10.1503 k =-0.3059 0.6468 0.2457 ( 13543 PWs) bands (ev): -40.1695 -40.1695 -40.1631 -40.1631 -39.9598 -39.9598 -39.9588 -39.9588 -6.2813 -6.2813 -6.1822 -6.1822 -6.0987 -6.0987 -6.0636 -6.0636 -4.2479 -4.2479 -4.1766 -4.1766 -3.9044 -3.9044 -3.8655 -3.8655 -3.7448 -3.7448 -3.5888 -3.5888 -1.2374 -1.2374 1.7193 1.7193 3.6843 3.6843 4.4549 4.4549 6.2184 6.2184 6.7565 6.7565 8.7812 8.7812 9.5035 9.5035 10.3493 10.3493 k =-0.3059 0.6468 0.2633 ( 13537 PWs) bands (ev): -40.1694 -40.1694 -40.1633 -40.1633 -39.9597 -39.9597 -39.9588 -39.9588 -6.2811 -6.2811 -6.1869 -6.1869 -6.0977 -6.0977 -6.0622 -6.0622 -4.2445 -4.2445 -4.1773 -4.1773 -3.9095 -3.9095 -3.8620 -3.8620 -3.7441 -3.7441 -3.5842 -3.5842 -1.1929 -1.1929 1.6818 1.6818 3.7186 3.7186 4.3647 4.3647 6.1075 6.1075 6.6621 6.6621 8.8086 8.8086 9.5508 9.5508 10.5471 10.5471 k =-0.3059 0.6468 0.2808 ( 13533 PWs) bands (ev): -40.1692 -40.1692 -40.1634 -40.1634 -39.9597 -39.9597 -39.9589 -39.9589 -6.2807 -6.2807 -6.1915 -6.1915 -6.0966 -6.0966 -6.0611 -6.0611 -4.2414 -4.2414 -4.1781 -4.1781 -3.9141 -3.9141 -3.8587 -3.8587 -3.7428 -3.7428 -3.5804 -3.5804 -1.1451 -1.1451 1.6377 1.6377 3.7531 3.7531 4.2883 4.2883 5.9966 5.9966 6.5659 6.5659 8.8371 8.8371 9.5956 9.5956 10.7364 10.7364 k =-0.3059 0.6468 0.2984 ( 13531 PWs) bands (ev): -40.1691 -40.1691 -40.1635 -40.1635 -39.9597 -39.9597 -39.9589 -39.9589 -6.2803 -6.2803 -6.1961 -6.1961 -6.0954 -6.0954 -6.0602 -6.0602 -4.2383 -4.2383 -4.1788 -4.1788 -3.9180 -3.9180 -3.8559 -3.8559 -3.7408 -3.7408 -3.5775 -3.5775 -1.0939 -1.0939 1.5866 1.5866 3.7866 3.7866 4.2274 4.2274 5.8863 5.8863 6.4686 6.4686 8.8674 8.8674 9.6377 9.6377 10.9047 10.9047 k =-0.3059 0.6468 0.3159 ( 13536 PWs) bands (ev): -40.1689 -40.1689 -40.1636 -40.1636 -39.9597 -39.9597 -39.9589 -39.9589 -6.2798 -6.2798 -6.2005 -6.2005 -6.0942 -6.0942 -6.0596 -6.0596 -4.2355 -4.2355 -4.1795 -4.1795 -3.9213 -3.9213 -3.8536 -3.8536 -3.7380 -3.7380 -3.5753 -3.5753 -1.0395 -1.0395 1.5284 1.5284 3.8172 3.8172 4.1840 4.1840 5.7768 5.7768 6.3705 6.3705 8.8996 8.8996 9.6768 9.6768 11.0309 11.0309 k =-0.3059 0.6468 0.3335 ( 13550 PWs) bands (ev): -40.1688 -40.1688 -40.1638 -40.1638 -39.9597 -39.9597 -39.9589 -39.9589 -6.2791 -6.2791 -6.2048 -6.2048 -6.0930 -6.0930 -6.0593 -6.0593 -4.2330 -4.2330 -4.1803 -4.1803 -3.9238 -3.9238 -3.8520 -3.8520 -3.7345 -3.7345 -3.5740 -3.5740 -0.9816 -0.9816 1.4631 1.4631 3.8430 3.8430 4.1600 4.1600 5.6687 5.6687 6.2719 6.2719 8.9340 8.9340 9.7125 9.7125 11.0977 11.0977 k =-0.3059 0.6468 0.3510 ( 13558 PWs) bands (ev): -40.1686 -40.1686 -40.1639 -40.1639 -39.9597 -39.9597 -39.9590 -39.9590 -6.2783 -6.2783 -6.2091 -6.2091 -6.0917 -6.0917 -6.0591 -6.0591 -4.2306 -4.2306 -4.1811 -4.1811 -3.9255 -3.9255 -3.8511 -3.8511 -3.7302 -3.7302 -3.5735 -3.5735 -0.9205 -0.9205 1.3911 1.3911 3.8625 3.8625 4.1566 4.1566 5.5622 5.5622 6.1733 6.1733 8.9704 8.9704 9.7442 9.7442 11.1171 11.1171 k =-0.3059 0.6468 0.3686 ( 13554 PWs) bands (ev): -40.1685 -40.1685 -40.1641 -40.1641 -39.9596 -39.9596 -39.9590 -39.9590 -6.2774 -6.2774 -6.2132 -6.2132 -6.0903 -6.0903 -6.0592 -6.0592 -4.2284 -4.2284 -4.1819 -4.1819 -3.9263 -3.9263 -3.8509 -3.8509 -3.7250 -3.7250 -3.5738 -3.5738 -0.8560 -0.8560 1.3129 1.3129 3.8769 3.8769 4.1722 4.1722 5.4576 5.4576 6.0750 6.0750 9.0090 9.0090 9.7713 9.7713 11.1124 11.1124 k =-0.3059 0.6468 0.3861 ( 13560 PWs) bands (ev): -40.1683 -40.1683 -40.1643 -40.1643 -39.9596 -39.9596 -39.9590 -39.9590 -6.2764 -6.2764 -6.2173 -6.2173 -6.0889 -6.0889 -6.0595 -6.0595 -4.2264 -4.2264 -4.1830 -4.1830 -3.9264 -3.9264 -3.8515 -3.8515 -3.7192 -3.7192 -3.5749 -3.5749 -0.7883 -0.7883 1.2291 1.2291 3.8892 3.8892 4.2027 4.2027 5.3554 5.3554 5.9772 5.9772 9.0496 9.0496 9.7929 9.7929 11.0984 11.0984 k =-0.3059 0.6468 0.4037 ( 13552 PWs) bands (ev): -40.1681 -40.1681 -40.1644 -40.1644 -39.9596 -39.9596 -39.9591 -39.9591 -6.2752 -6.2752 -6.2212 -6.2212 -6.0875 -6.0875 -6.0600 -6.0600 -4.2245 -4.2245 -4.1841 -4.1841 -3.9257 -3.9257 -3.8528 -3.8528 -3.7127 -3.7127 -3.5769 -3.5769 -0.7174 -0.7174 1.1405 1.1405 3.9032 3.9032 4.2437 4.2437 5.2560 5.2560 5.8801 5.8801 9.0921 9.0921 9.8083 9.8083 11.0826 11.0826 k =-0.3059 0.6468 0.4212 ( 13560 PWs) bands (ev): -40.1679 -40.1679 -40.1646 -40.1646 -39.9596 -39.9596 -39.9591 -39.9591 -6.2739 -6.2739 -6.2251 -6.2251 -6.0860 -6.0860 -6.0606 -6.0606 -4.2228 -4.2228 -4.1854 -4.1854 -3.9243 -3.9243 -3.8547 -3.8547 -3.7057 -3.7057 -3.5796 -3.5796 -0.6433 -0.6433 1.0478 1.0478 3.9213 3.9213 4.2916 4.2916 5.1598 5.1598 5.7841 5.7841 9.1365 9.1365 9.8167 9.8167 11.0695 11.0695 k =-0.3059 0.6468 0.4388 ( 13563 PWs) bands (ev): -40.1678 -40.1678 -40.1648 -40.1648 -39.9596 -39.9596 -39.9591 -39.9591 -6.2724 -6.2724 -6.2288 -6.2288 -6.0845 -6.0845 -6.0614 -6.0614 -4.2211 -4.2211 -4.1868 -4.1868 -3.9222 -3.9222 -3.8572 -3.8572 -3.6982 -3.6982 -3.5830 -3.5830 -0.5661 -0.5661 0.9519 0.9519 3.9447 3.9447 4.3435 4.3435 5.0677 5.0677 5.6892 5.6892 9.1825 9.1825 9.8175 9.8175 11.0617 11.0617 k =-0.3059 0.6468 0.4563 ( 13555 PWs) bands (ev): -40.1676 -40.1676 -40.1649 -40.1649 -39.9595 -39.9595 -39.9592 -39.9592 -6.2708 -6.2708 -6.2325 -6.2325 -6.0829 -6.0829 -6.0623 -6.0623 -4.2195 -4.2195 -4.1883 -4.1883 -3.9195 -3.9195 -3.8602 -3.8602 -3.6903 -3.6903 -3.5872 -3.5872 -0.4859 -0.4859 0.8535 0.8535 3.9738 3.9738 4.3971 4.3971 4.9811 4.9811 5.5957 5.5957 9.2299 9.2299 9.8104 9.8104 11.0609 11.0609 k =-0.3059 0.6468 0.4739 ( 13558 PWs) bands (ev): -40.1674 -40.1674 -40.1651 -40.1651 -39.9595 -39.9595 -39.9592 -39.9592 -6.2689 -6.2689 -6.2360 -6.2360 -6.0814 -6.0814 -6.0634 -6.0634 -4.2179 -4.2179 -4.1900 -4.1900 -3.9162 -3.9162 -3.8636 -3.8636 -3.6822 -3.6822 -3.5919 -3.5919 -0.4028 -0.4028 0.7534 0.7534 4.0087 4.0087 4.4488 4.4488 4.9029 4.9029 5.5038 5.5038 9.2785 9.2785 9.7953 9.7953 11.0682 11.0682 k =-0.3059 0.6468 0.4914 ( 13544 PWs) bands (ev): -40.1672 -40.1672 -40.1653 -40.1653 -39.9595 -39.9595 -39.9592 -39.9592 -6.2670 -6.2670 -6.2395 -6.2395 -6.0798 -6.0798 -6.0646 -6.0646 -4.2163 -4.2163 -4.1916 -4.1916 -3.9125 -3.9125 -3.8674 -3.8674 -3.6740 -3.6740 -3.5973 -3.5973 -0.3169 -0.3169 0.6522 0.6522 4.0490 4.0490 4.4918 4.4918 4.8395 4.8395 5.4138 5.4138 9.3282 9.3282 9.7727 9.7727 11.0838 11.0838 k =-0.3059 0.6468 0.5090 ( 13547 PWs) bands (ev): -40.1670 -40.1670 -40.1655 -40.1655 -39.9595 -39.9595 -39.9592 -39.9592 -6.2649 -6.2649 -6.2428 -6.2428 -6.0782 -6.0782 -6.0658 -6.0658 -4.2149 -4.2149 -4.1933 -4.1933 -3.9085 -3.9085 -3.8715 -3.8715 -3.6657 -3.6657 -3.6033 -3.6033 -0.2284 -0.2284 0.5505 0.5505 4.0943 4.0943 4.5128 4.5128 4.8043 4.8043 5.3261 5.3261 9.3785 9.3785 9.7434 9.7434 11.1074 11.1074 k =-0.3059 0.6468 0.5265 ( 13552 PWs) bands (ev): -40.1668 -40.1668 -40.1657 -40.1657 -39.9594 -39.9594 -39.9593 -39.9593 -6.2626 -6.2626 -6.2460 -6.2460 -6.0766 -6.0766 -6.0672 -6.0672 -4.2135 -4.2135 -4.1948 -4.1948 -3.9041 -3.9041 -3.8758 -3.8758 -3.6574 -3.6574 -3.6096 -3.6096 -0.1374 -0.1374 0.4489 0.4489 4.1437 4.1437 4.4984 4.4984 4.8102 4.8102 5.2411 5.2411 9.4291 9.4291 9.7082 9.7082 11.1386 11.1386 k =-0.3059 0.6468 0.5441 ( 13556 PWs) bands (ev): -40.1666 -40.1666 -40.1659 -40.1659 -39.9594 -39.9594 -39.9593 -39.9593 -6.2602 -6.2602 -6.2491 -6.2491 -6.0751 -6.0751 -6.0686 -6.0686 -4.2123 -4.2123 -4.1962 -4.1962 -3.8996 -3.8996 -3.8803 -3.8803 -3.6493 -3.6493 -3.6163 -3.6163 -0.0440 -0.0440 0.3478 0.3478 4.1957 4.1957 4.4567 4.4567 4.8496 4.8496 5.1603 5.1603 9.4796 9.4796 9.6683 9.6683 11.1763 11.1763 k =-0.3059 0.6468 0.5616 ( 13556 PWs) bands (ev): -40.1664 -40.1664 -40.1661 -40.1661 -39.9594 -39.9594 -39.9593 -39.9593 -6.2577 -6.2577 -6.2520 -6.2520 -6.0736 -6.0736 -6.0699 -6.0699 -4.2115 -4.2115 -4.1971 -4.1971 -3.8951 -3.8951 -3.8848 -3.8848 -3.6418 -3.6418 -3.6230 -3.6230 0.0514 0.0514 0.2477 0.2477 4.2460 4.2460 4.4072 4.4072 4.9026 4.9026 5.0876 5.0876 9.5294 9.5294 9.6245 9.6245 11.2187 11.2187 k =-0.3059 0.6468 0.5792 ( 13562 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2554 -6.2554 -6.2545 -6.2545 -6.0728 -6.0728 -6.0707 -6.0707 -4.2112 -4.2112 -4.1974 -4.1974 -3.8918 -3.8918 -3.8881 -3.8881 -3.6375 -3.6375 -3.6271 -3.6271 0.1458 0.1458 0.1517 0.1517 4.2741 4.2741 4.3787 4.3787 4.9367 4.9367 5.0477 5.0477 9.5773 9.5773 9.5786 9.5786 11.2515 11.2515 k =-0.3059 0.6468 0.5792 ( 13562 PWs) bands (ev): -40.1662 -40.1662 -40.1662 -40.1662 -39.9594 -39.9594 -39.9594 -39.9594 -6.2554 -6.2554 -6.2545 -6.2545 -6.0728 -6.0728 -6.0707 -6.0707 -4.2112 -4.2112 -4.1974 -4.1974 -3.8918 -3.8918 -3.8881 -3.8881 -3.6375 -3.6375 -3.6271 -3.6271 0.1458 0.1458 0.1517 0.1517 4.2741 4.2741 4.3787 4.3787 4.9367 4.9367 5.0477 5.0477 9.5773 9.5773 9.5786 9.5786 11.2515 11.2515 k =-0.3134 0.6310 0.5792 ( 13558 PWs) bands (ev): -40.1663 -40.1663 -40.1662 -40.1662 -39.9594 -39.9594 -39.9593 -39.9593 -6.2555 -6.2555 -6.2545 -6.2545 -6.0729 -6.0729 -6.0707 -6.0707 -4.2111 -4.2111 -4.1972 -4.1972 -3.8923 -3.8923 -3.8885 -3.8885 -3.6382 -3.6382 -3.6279 -3.6279 0.1410 0.1410 0.1467 0.1467 4.2447 4.2447 4.3438 4.3438 4.9758 4.9758 5.0812 5.0812 9.6697 9.6697 9.6726 9.6726 11.3393 11.3393 k =-0.3209 0.6152 0.5792 ( 13570 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2556 -6.2556 -6.2546 -6.2546 -6.0729 -6.0729 -6.0707 -6.0707 -4.2110 -4.2110 -4.1970 -4.1970 -3.8928 -3.8928 -3.8891 -3.8891 -3.6389 -3.6389 -3.6288 -3.6288 0.1348 0.1348 0.1402 0.1402 4.2151 4.2151 4.3081 4.3081 5.0240 5.0240 5.1231 5.1231 9.7635 9.7635 9.7679 9.7679 11.4288 11.4288 k =-0.3283 0.5994 0.5792 ( 13566 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2557 -6.2557 -6.2547 -6.2547 -6.0730 -6.0730 -6.0707 -6.0707 -4.2108 -4.2108 -4.1969 -4.1969 -3.8933 -3.8933 -3.8896 -3.8896 -3.6397 -3.6397 -3.6298 -3.6298 0.1273 0.1273 0.1325 0.1325 4.1854 4.1854 4.2719 4.2719 5.0806 5.0806 5.1731 5.1731 9.8584 9.8584 9.8643 9.8643 11.5198 11.5198 k =-0.3358 0.5837 0.5792 ( 13574 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2558 -6.2558 -6.2548 -6.2548 -6.0732 -6.0732 -6.0708 -6.0708 -4.2107 -4.2107 -4.1967 -4.1967 -3.8939 -3.8939 -3.8903 -3.8903 -3.6405 -3.6405 -3.6308 -3.6308 0.1186 0.1186 0.1235 0.1235 4.1558 4.1558 4.2360 4.2360 5.1448 5.1448 5.2308 5.2308 9.9542 9.9542 9.9612 9.9612 11.6118 11.6118 k =-0.3433 0.5679 0.5792 ( 13586 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2559 -6.2559 -6.2549 -6.2549 -6.0733 -6.0733 -6.0709 -6.0709 -4.2104 -4.2104 -4.1966 -4.1966 -3.8945 -3.8945 -3.8909 -3.8909 -3.6413 -3.6413 -3.6318 -3.6318 0.1089 0.1089 0.1136 0.1136 4.1264 4.1264 4.2005 4.2005 5.2161 5.2161 5.2958 5.2958 10.0503 10.0503 10.0579 10.0579 11.7039 11.7039 k =-0.3507 0.5521 0.5792 ( 13582 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2560 -6.2560 -6.2550 -6.2550 -6.0734 -6.0734 -6.0710 -6.0710 -4.2102 -4.2102 -4.1965 -4.1965 -3.8952 -3.8952 -3.8917 -3.8917 -3.6420 -3.6420 -3.6329 -3.6329 0.0985 0.0985 0.1029 0.1029 4.0976 4.0976 4.1658 4.1658 5.2939 5.2939 5.3675 5.3675 10.1459 10.1459 10.1537 10.1537 11.7945 11.7945 k =-0.3582 0.5363 0.5792 ( 13586 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2560 -6.2560 -6.2551 -6.2551 -6.0736 -6.0736 -6.0711 -6.0711 -4.2099 -4.2099 -4.1964 -4.1964 -3.8959 -3.8959 -3.8924 -3.8924 -3.6428 -3.6428 -3.6340 -3.6340 0.0875 0.0875 0.0915 0.0915 4.0694 4.0694 4.1321 4.1321 5.3777 5.3777 5.4456 5.4456 10.2397 10.2397 10.2469 10.2469 11.8788 11.8788 k =-0.3656 0.5205 0.5792 ( 13590 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2561 -6.2561 -6.2552 -6.2552 -6.0738 -6.0738 -6.0713 -6.0713 -4.2095 -4.2095 -4.1964 -4.1964 -3.8966 -3.8966 -3.8932 -3.8932 -3.6436 -3.6436 -3.6351 -3.6351 0.0760 0.0760 0.0798 0.0798 4.0421 4.0421 4.0996 4.0996 5.4670 5.4670 5.5295 5.5295 10.3300 10.3300 10.3356 10.3356 11.8906 11.8906 k =-0.3731 0.5048 0.5792 ( 13590 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2562 -6.2562 -6.2552 -6.2552 -6.0739 -6.0739 -6.0715 -6.0715 -4.2092 -4.2092 -4.1963 -4.1963 -3.8973 -3.8973 -3.8940 -3.8940 -3.6443 -3.6443 -3.6362 -3.6362 0.0642 0.0642 0.0677 0.0677 4.0156 4.0156 4.0684 4.0684 5.5614 5.5614 5.6188 5.6188 10.4136 10.4136 10.4162 10.4162 11.8222 11.8222 k =-0.3806 0.4890 0.5792 ( 13590 PWs) bands (ev): -40.1663 -40.1663 -40.1663 -40.1663 -39.9593 -39.9593 -39.9593 -39.9593 -6.2563 -6.2563 -6.2553 -6.2553 -6.0741 -6.0741 -6.0717 -6.0717 -4.2088 -4.2088 -4.1964 -4.1964 -3.8980 -3.8980 -3.8948 -3.8948 -3.6450 -3.6450 -3.6372 -3.6372 0.0523 0.0523 0.0555 0.0555 3.9903 3.9903 4.0385 4.0385 5.6604 5.6604 5.7130 5.7130 10.4835 10.4835 10.4855 10.4855 11.7162 11.7162 k =-0.3880 0.4732 0.5792 ( 13598 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9593 -39.9593 -39.9593 -39.9593 -6.2563 -6.2563 -6.2554 -6.2554 -6.0743 -6.0743 -6.0719 -6.0719 -4.2084 -4.2084 -4.1964 -4.1964 -3.8987 -3.8987 -3.8957 -3.8957 -3.6457 -3.6457 -3.6383 -3.6383 0.0404 0.0404 0.0434 0.0434 3.9662 3.9662 4.0102 4.0102 5.7634 5.7634 5.8115 5.8115 10.5298 10.5298 10.5373 10.5373 11.6126 11.6126 k =-0.3955 0.4574 0.5792 ( 13586 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9593 -39.9593 -39.9593 -39.9593 -6.2564 -6.2564 -6.2555 -6.2555 -6.0744 -6.0744 -6.0722 -6.0722 -4.2080 -4.2080 -4.1965 -4.1965 -3.8995 -3.8995 -3.8965 -3.8965 -3.6464 -3.6464 -3.6394 -3.6394 0.0287 0.0287 0.0314 0.0314 3.9433 3.9433 3.9834 3.9834 5.8701 5.8701 5.9140 5.9140 10.5452 10.5452 10.5577 10.5577 11.5354 11.5354 k =-0.4030 0.4416 0.5792 ( 13586 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9593 -39.9593 -39.9593 -39.9593 -6.2564 -6.2564 -6.2556 -6.2556 -6.0746 -6.0746 -6.0724 -6.0724 -4.2075 -4.2075 -4.1966 -4.1966 -3.9002 -3.9002 -3.8973 -3.8973 -3.6470 -3.6470 -3.6404 -3.6404 0.0172 0.0172 0.0197 0.0197 3.9218 3.9218 3.9581 3.9581 5.9799 5.9799 6.0198 6.0198 10.5218 10.5218 10.5358 10.5358 11.5004 11.5004 k =-0.4104 0.4259 0.5792 ( 13594 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9593 -39.9593 -39.9592 -39.9592 -6.2564 -6.2564 -6.2557 -6.2557 -6.0747 -6.0747 -6.0727 -6.0727 -4.2071 -4.2071 -4.1967 -4.1967 -3.9008 -3.9008 -3.8981 -3.8981 -3.6475 -3.6475 -3.6414 -3.6414 0.0062 0.0062 0.0084 0.0084 3.9017 3.9017 3.9346 3.9346 6.0922 6.0922 6.1283 6.1283 10.4589 10.4589 10.4701 10.4701 11.5113 11.5113 k =-0.4179 0.4101 0.5792 ( 13582 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2557 -6.2557 -6.0749 -6.0749 -6.0729 -6.0729 -4.2066 -4.2066 -4.1969 -4.1969 -3.9015 -3.9015 -3.8989 -3.8989 -3.6480 -3.6480 -3.6424 -3.6424 -0.0043 -0.0043 -0.0023 -0.0023 3.8832 3.8832 3.9127 3.9127 6.2063 6.2063 6.2387 6.2387 10.3639 10.3639 10.3704 10.3704 11.5600 11.5600 k =-0.4254 0.3943 0.5792 ( 13578 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2558 -6.2558 -6.0750 -6.0750 -6.0732 -6.0732 -4.2061 -4.2061 -4.1971 -4.1971 -3.9021 -3.9021 -3.8997 -3.8997 -3.6485 -3.6485 -3.6433 -3.6433 -0.0142 -0.0142 -0.0125 -0.0125 3.8662 3.8662 3.8925 3.8925 6.3213 6.3213 6.3503 6.3503 10.2476 10.2476 10.2495 10.2495 11.6343 11.6343 k =-0.4328 0.3785 0.5792 ( 13562 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2559 -6.2559 -6.0751 -6.0751 -6.0734 -6.0734 -4.2055 -4.2055 -4.1973 -4.1973 -3.9026 -3.9026 -3.9005 -3.9005 -3.6489 -3.6489 -3.6442 -3.6442 -0.0234 -0.0234 -0.0219 -0.0219 3.8507 3.8507 3.8741 3.8741 6.4363 6.4363 6.4620 6.4620 10.1178 10.1178 10.1195 10.1195 11.7248 11.7248 k =-0.4403 0.3627 0.5792 ( 13546 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2560 -6.2560 -6.0752 -6.0752 -6.0737 -6.0737 -4.2050 -4.2050 -4.1976 -4.1976 -3.9031 -3.9031 -3.9012 -3.9012 -3.6492 -3.6492 -3.6450 -3.6450 -0.0318 -0.0318 -0.0305 -0.0305 3.8370 3.8370 3.8574 3.8574 6.5501 6.5501 6.5726 6.5726 9.9825 9.9825 9.9865 9.9865 11.8249 11.8249 k =-0.4478 0.3470 0.5792 ( 13538 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2560 -6.2560 -6.0753 -6.0753 -6.0739 -6.0739 -4.2045 -4.2045 -4.1979 -4.1979 -3.9035 -3.9035 -3.9018 -3.9018 -3.6494 -3.6494 -3.6457 -3.6457 -0.0394 -0.0394 -0.0383 -0.0383 3.8249 3.8249 3.8425 3.8425 6.6612 6.6612 6.6806 6.6806 9.8488 9.8488 9.8540 9.8540 11.9305 11.9305 k =-0.4552 0.3312 0.5792 ( 13542 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2561 -6.2561 -6.0753 -6.0753 -6.0741 -6.0741 -4.2040 -4.2040 -4.1983 -4.1983 -3.9039 -3.9039 -3.9024 -3.9024 -3.6496 -3.6496 -3.6464 -3.6464 -0.0461 -0.0461 -0.0451 -0.0451 3.8145 3.8145 3.8294 3.8294 6.7677 6.7677 6.7842 6.7842 9.7207 9.7207 9.7263 9.7263 12.0383 12.0383 k =-0.4627 0.3154 0.5792 ( 13544 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2562 -6.2562 -6.0753 -6.0753 -6.0743 -6.0743 -4.2034 -4.2034 -4.1986 -4.1986 -3.9042 -3.9042 -3.9030 -3.9030 -3.6498 -3.6498 -3.6471 -3.6471 -0.0518 -0.0518 -0.0510 -0.0510 3.8058 3.8058 3.8182 3.8182 6.8672 6.8672 6.8808 6.8808 9.6019 9.6019 9.6073 9.6073 12.1457 12.1457 k =-0.4701 0.2996 0.5792 ( 13532 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2562 -6.2562 -6.0753 -6.0753 -6.0745 -6.0745 -4.2029 -4.2029 -4.1990 -4.1990 -3.9045 -3.9045 -3.9034 -3.9034 -3.6498 -3.6498 -3.6477 -3.6477 -0.0565 -0.0565 -0.0559 -0.0559 3.7989 3.7989 3.8087 3.8087 6.9567 6.9567 6.9674 6.9674 9.4962 9.4962 9.5009 9.5009 12.2499 12.2499 k =-0.4776 0.2838 0.5792 ( 13532 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2563 -6.2563 -6.0753 -6.0753 -6.0747 -6.0747 -4.2023 -4.2023 -4.1994 -4.1994 -3.9046 -3.9046 -3.9038 -3.9038 -3.6498 -3.6498 -3.6482 -3.6482 -0.0602 -0.0602 -0.0597 -0.0597 3.7938 3.7938 3.8011 3.8011 7.0327 7.0327 7.0407 7.0407 9.4076 9.4076 9.4114 9.4114 12.3477 12.3477 k =-0.4851 0.2681 0.5792 ( 13526 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2563 -6.2563 -6.0753 -6.0753 -6.0749 -6.0749 -4.2018 -4.2018 -4.1999 -4.1999 -3.9047 -3.9047 -3.9042 -3.9042 -3.6497 -3.6497 -3.6486 -3.6486 -0.0628 -0.0628 -0.0625 -0.0625 3.7905 3.7905 3.7953 3.7953 7.0914 7.0914 7.0967 7.0967 9.3403 9.3403 9.3430 9.3430 12.4352 12.4352 k =-0.4925 0.2523 0.5792 ( 13526 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2565 -6.2565 -6.2564 -6.2564 -6.0752 -6.0752 -6.0750 -6.0750 -4.2013 -4.2013 -4.2003 -4.2003 -3.9047 -3.9047 -3.9044 -3.9044 -3.6495 -3.6495 -3.6490 -3.6490 -0.0644 -0.0644 -0.0643 -0.0643 3.7889 3.7889 3.7914 3.7914 7.1290 7.1290 7.1316 7.1316 9.2983 9.2983 9.2997 9.2997 12.5072 12.5072 k =-0.5000 0.2365 0.5792 ( 13536 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2564 -6.2564 -6.2564 -6.2564 -6.0751 -6.0751 -6.0751 -6.0751 -4.2008 -4.2008 -4.2008 -4.2008 -3.9046 -3.9046 -3.9046 -3.9046 -3.6493 -3.6493 -3.6493 -3.6493 -0.0649 -0.0649 -0.0649 -0.0649 3.7892 3.7892 3.7892 3.7892 7.1427 7.1427 7.1427 7.1427 9.2844 9.2844 9.2844 9.2844 12.5572 12.5572 k =-0.5000 0.2365 0.5792 ( 13536 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2564 -6.2564 -6.2564 -6.2564 -6.0751 -6.0751 -6.0751 -6.0751 -4.2008 -4.2008 -4.2008 -4.2008 -3.9046 -3.9046 -3.9046 -3.9046 -3.6493 -3.6493 -3.6493 -3.6493 -0.0649 -0.0649 -0.0649 -0.0649 3.7892 3.7892 3.7892 3.7892 7.1427 7.1427 7.1427 7.1427 9.2844 9.2844 9.2844 9.2844 12.5572 12.5572 k =-0.5000 0.2365 0.5616 ( 13534 PWs) bands (ev): -40.1666 -40.1666 -40.1663 -40.1663 -39.9593 -39.9593 -39.9591 -39.9591 -6.2590 -6.2590 -6.2537 -6.2537 -6.0767 -6.0767 -6.0736 -6.0736 -4.2032 -4.2032 -4.1984 -4.1984 -3.9091 -3.9091 -3.9000 -3.9000 -3.6582 -3.6582 -3.6407 -3.6407 -0.1569 -0.1569 0.0278 0.0278 3.7225 3.7225 3.8615 3.8615 7.0347 7.0347 7.2531 7.2531 9.2406 9.2406 9.3294 9.3294 12.4910 12.4910 k =-0.5000 0.2365 0.5441 ( 13534 PWs) bands (ev): -40.1668 -40.1668 -40.1661 -40.1661 -39.9593 -39.9593 -39.9590 -39.9590 -6.2615 -6.2615 -6.2508 -6.2508 -6.0783 -6.0783 -6.0721 -6.0721 -4.2055 -4.2055 -4.1960 -4.1960 -3.9135 -3.9135 -3.8954 -3.8954 -3.6673 -3.6673 -3.6325 -3.6325 -0.2478 -0.2478 0.1208 0.1208 3.6617 3.6617 3.9388 3.9388 6.9292 6.9292 7.3657 7.3657 9.1981 9.1981 9.3756 9.3756 12.4170 12.4170 k =-0.5000 0.2365 0.5265 ( 13540 PWs) bands (ev): -40.1670 -40.1670 -40.1659 -40.1659 -39.9594 -39.9594 -39.9589 -39.9589 -6.2638 -6.2638 -6.2478 -6.2478 -6.0799 -6.0799 -6.0706 -6.0706 -4.2077 -4.2077 -4.1936 -4.1936 -3.9177 -3.9177 -3.8908 -3.8908 -3.6765 -3.6765 -3.6246 -3.6246 -0.3373 -0.3373 0.2136 0.2136 3.6072 3.6072 4.0209 4.0209 6.8262 6.8262 7.4805 7.4805 9.1568 9.1568 9.4229 9.4229 12.3363 12.3363 k =-0.5000 0.2365 0.5090 ( 13548 PWs) bands (ev): -40.1672 -40.1672 -40.1657 -40.1657 -39.9595 -39.9595 -39.9589 -39.9589 -6.2659 -6.2659 -6.2447 -6.2447 -6.0815 -6.0815 -6.0692 -6.0692 -4.2099 -4.2099 -4.1911 -4.1911 -3.9217 -3.9217 -3.8863 -3.8863 -3.6858 -3.6858 -3.6172 -3.6172 -0.4251 -0.4251 0.3055 0.3055 3.5597 3.5597 4.1075 4.1075 6.7258 6.7258 7.5973 7.5973 9.1169 9.1169 9.4713 9.4713 12.2497 12.2497 k =-0.5000 0.2365 0.4914 ( 13538 PWs) bands (ev): -40.1673 -40.1673 -40.1655 -40.1655 -39.9596 -39.9596 -39.9588 -39.9588 -6.2679 -6.2679 -6.2414 -6.2414 -6.0831 -6.0831 -6.0679 -6.0679 -4.2121 -4.2121 -4.1888 -4.1888 -3.9253 -3.9253 -3.8819 -3.8819 -3.6952 -3.6952 -3.6103 -3.6103 -0.5110 -0.5110 0.3961 0.3961 3.5197 3.5197 4.1983 4.1983 6.6283 6.6283 7.7159 7.7159 9.0782 9.0782 9.5205 9.5205 12.1574 12.1574 k =-0.5000 0.2365 0.4739 ( 13552 PWs) bands (ev): -40.1675 -40.1675 -40.1654 -40.1654 -39.9597 -39.9597 -39.9587 -39.9587 -6.2697 -6.2697 -6.2380 -6.2380 -6.0847 -6.0847 -6.0667 -6.0667 -4.2142 -4.2142 -4.1864 -4.1864 -3.9286 -3.9286 -3.8777 -3.8777 -3.7045 -3.7045 -3.6039 -3.6039 -0.5947 -0.5947 0.4845 0.4845 3.4880 3.4880 4.2930 4.2930 6.5335 6.5335 7.8363 7.8363 9.0408 9.0408 9.5705 9.5705 12.0592 12.0592 k =-0.5000 0.2365 0.4563 ( 13570 PWs) bands (ev): -40.1677 -40.1677 -40.1652 -40.1652 -39.9597 -39.9597 -39.9586 -39.9586 -6.2714 -6.2714 -6.2345 -6.2345 -6.0863 -6.0863 -6.0656 -6.0656 -4.2162 -4.2162 -4.1842 -4.1842 -3.9313 -3.9313 -3.8738 -3.8738 -3.7136 -3.7136 -3.5982 -3.5982 -0.6759 -0.6759 0.5700 0.5700 3.4651 3.4651 4.3915 4.3915 6.4418 6.4418 7.9581 7.9581 9.0047 9.0047 9.6211 9.6211 11.9546 11.9546 k =-0.5000 0.2365 0.4388 ( 13586 PWs) bands (ev): -40.1679 -40.1679 -40.1651 -40.1651 -39.9598 -39.9598 -39.9585 -39.9585 -6.2729 -6.2729 -6.2309 -6.2309 -6.0878 -6.0878 -6.0646 -6.0646 -4.2183 -4.2183 -4.1821 -4.1821 -3.9336 -3.9336 -3.8701 -3.8701 -3.7225 -3.7225 -3.5931 -3.5931 -0.7547 -0.7547 0.6520 0.6520 3.4518 3.4518 4.4935 4.4935 6.3531 6.3531 8.0814 8.0814 8.9699 8.9699 9.6719 9.6719 11.8426 11.8426 k =-0.5000 0.2365 0.4212 ( 13564 PWs) bands (ev): -40.1680 -40.1680 -40.1649 -40.1649 -39.9599 -39.9599 -39.9585 -39.9585 -6.2742 -6.2742 -6.2271 -6.2271 -6.0894 -6.0894 -6.0638 -6.0638 -4.2203 -4.2203 -4.1801 -4.1801 -3.9352 -3.9352 -3.8669 -3.8669 -3.7311 -3.7311 -3.5887 -3.5887 -0.8307 -0.8307 0.7294 0.7294 3.4490 3.4490 4.5988 4.5988 6.2676 6.2676 8.2057 8.2057 8.9364 8.9364 9.7226 9.7226 11.7224 11.7224 k =-0.5000 0.2365 0.4037 ( 13556 PWs) bands (ev): -40.1682 -40.1682 -40.1647 -40.1647 -39.9599 -39.9599 -39.9584 -39.9584 -6.2754 -6.2754 -6.2233 -6.2233 -6.0908 -6.0908 -6.0630 -6.0630 -4.2224 -4.2224 -4.1783 -4.1783 -3.9362 -3.9362 -3.8641 -3.8641 -3.7393 -3.7393 -3.5851 -3.5851 -0.9040 -0.9040 0.8017 0.8017 3.4573 3.4573 4.7071 4.7071 6.1855 6.1855 8.3308 8.3308 8.9040 8.9040 9.7725 9.7725 11.5930 11.5930 k =-0.5000 0.2365 0.3861 ( 13558 PWs) bands (ev): -40.1684 -40.1684 -40.1646 -40.1646 -39.9600 -39.9600 -39.9583 -39.9583 -6.2765 -6.2765 -6.2193 -6.2193 -6.0923 -6.0923 -6.0625 -6.0625 -4.2246 -4.2246 -4.1766 -4.1766 -3.9365 -3.9365 -3.8618 -3.8618 -3.7470 -3.7470 -3.5823 -3.5823 -0.9743 -0.9743 0.8680 0.8680 3.4774 3.4774 4.8182 4.8182 6.1070 6.1070 8.4563 8.4563 8.8728 8.8728 9.8208 9.8208 11.4544 11.4544 k =-0.5000 0.2365 0.3686 ( 13538 PWs) bands (ev): -40.1685 -40.1685 -40.1644 -40.1644 -39.9601 -39.9601 -39.9582 -39.9582 -6.2774 -6.2774 -6.2153 -6.2153 -6.0937 -6.0937 -6.0622 -6.0622 -4.2269 -4.2269 -4.1750 -4.1750 -3.9360 -3.9360 -3.8601 -3.8601 -3.7539 -3.7539 -3.5802 -3.5802 -1.0416 -1.0416 0.9279 0.9279 3.5098 3.5098 4.9316 4.9316 6.0324 6.0324 8.5817 8.5817 8.8428 8.8428 9.8659 9.8659 11.3076 11.3076 k =-0.5000 0.2365 0.3510 ( 13542 PWs) bands (ev): -40.1687 -40.1687 -40.1643 -40.1643 -39.9601 -39.9601 -39.9582 -39.9582 -6.2782 -6.2782 -6.2111 -6.2111 -6.0950 -6.0950 -6.0620 -6.0620 -4.2292 -4.2292 -4.1735 -4.1735 -3.9348 -3.9348 -3.8592 -3.8592 -3.7601 -3.7601 -3.5791 -3.5791 -1.1058 -1.1058 0.9809 0.9809 3.5547 3.5547 5.0467 5.0467 5.9623 5.9623 8.7065 8.7065 8.8138 8.8138 9.9057 9.9057 11.1555 11.1555 k =-0.5000 0.2365 0.3335 ( 13558 PWs) bands (ev): -40.1688 -40.1688 -40.1641 -40.1641 -39.9602 -39.9602 -39.9581 -39.9581 -6.2789 -6.2789 -6.2068 -6.2068 -6.0964 -6.0964 -6.0621 -6.0621 -4.2317 -4.2317 -4.1722 -4.1722 -3.9329 -3.9329 -3.8592 -3.8592 -3.7653 -3.7653 -3.5788 -3.5788 -1.1668 -1.1668 1.0269 1.0269 3.6122 3.6122 5.1626 5.1626 5.8976 5.8976 8.7857 8.7857 8.8296 8.8296 9.9361 9.9361 11.0038 11.0038 k =-0.5000 0.2365 0.3159 ( 13566 PWs) bands (ev): -40.1690 -40.1690 -40.1640 -40.1640 -39.9602 -39.9602 -39.9580 -39.9580 -6.2794 -6.2794 -6.2024 -6.2024 -6.0976 -6.0976 -6.0623 -6.0623 -4.2344 -4.2344 -4.1709 -4.1709 -3.9302 -3.9302 -3.8600 -3.8600 -3.7694 -3.7694 -3.5793 -3.5793 -1.2246 -1.2246 1.0659 1.0659 3.6823 3.6823 5.2769 5.2769 5.8405 5.8405 8.7586 8.7586 8.9495 8.9495 9.9506 9.9506 10.8615 10.8615 k =-0.5000 0.2365 0.2984 ( 13568 PWs) bands (ev): -40.1691 -40.1691 -40.1639 -40.1639 -39.9603 -39.9603 -39.9580 -39.9580 -6.2799 -6.2799 -6.1979 -6.1979 -6.0988 -6.0988 -6.0629 -6.0629 -4.2371 -4.2371 -4.1697 -4.1697 -3.9268 -3.9268 -3.8617 -3.8617 -3.7725 -3.7725 -3.5808 -3.5808 -1.2792 -1.2792 1.0983 1.0983 3.7645 3.7645 5.3843 5.3843 5.7964 5.7964 8.7323 8.7323 9.0638 9.0638 9.9396 9.9396 10.7416 10.7416 k =-0.5000 0.2365 0.2808 ( 13560 PWs) bands (ev): -40.1693 -40.1693 -40.1638 -40.1638 -39.9604 -39.9604 -39.9579 -39.9579 -6.2802 -6.2802 -6.1934 -6.1934 -6.1000 -6.1000 -6.0636 -6.0636 -4.2400 -4.2400 -4.1686 -4.1686 -3.9228 -3.9228 -3.8642 -3.8642 -3.7745 -3.7745 -3.5831 -3.5831 -1.3305 -1.3305 1.1245 1.1245 3.8582 3.8582 5.4702 5.4702 5.7799 5.7799 8.7066 8.7066 9.1670 9.1670 9.8948 9.8948 10.6579 10.6579 k =-0.5000 0.2365 0.2633 ( 13548 PWs) bands (ev): -40.1694 -40.1694 -40.1636 -40.1636 -39.9604 -39.9604 -39.9578 -39.9578 -6.2805 -6.2805 -6.1887 -6.1887 -6.1011 -6.1011 -6.0646 -6.0646 -4.2430 -4.2430 -4.1675 -4.1675 -3.9181 -3.9181 -3.8675 -3.8675 -3.7755 -3.7755 -3.5863 -3.5863 -1.3786 -1.3786 1.1450 1.1450 3.9626 3.9626 5.5086 5.5086 5.8166 5.8166 8.6814 8.6814 9.2472 9.2472 9.8229 9.8229 10.6153 10.6153 k =-0.5000 0.2365 0.2457 ( 13554 PWs) bands (ev): -40.1695 -40.1695 -40.1635 -40.1635 -39.9604 -39.9604 -39.9578 -39.9578 -6.2806 -6.2806 -6.1839 -6.1839 -6.1021 -6.1021 -6.0659 -6.0659 -4.2461 -4.2461 -4.1664 -4.1664 -3.9129 -3.9129 -3.8712 -3.8712 -3.7757 -3.7757 -3.5903 -3.5903 -1.4233 -1.4233 1.1607 1.1607 4.0770 4.0770 5.5000 5.5000 5.9063 5.9063 8.6563 8.6563 9.2757 9.2757 9.7591 9.7591 10.6038 10.6038 k =-0.5000 0.2365 0.2282 ( 13562 PWs) bands (ev): -40.1696 -40.1696 -40.1634 -40.1634 -39.9605 -39.9605 -39.9577 -39.9577 -6.2808 -6.2808 -6.1790 -6.1790 -6.1030 -6.1030 -6.0675 -6.0675 -4.2493 -4.2493 -4.1653 -4.1653 -3.9073 -3.9073 -3.8754 -3.8754 -3.7750 -3.7750 -3.5952 -3.5952 -1.4648 -1.4648 1.1721 1.1721 4.2004 4.2004 5.4706 5.4706 6.0226 6.0226 8.6311 8.6311 9.2172 9.2172 9.7490 9.7490 10.6041 10.6041 k =-0.5000 0.2365 0.2106 ( 13550 PWs) bands (ev): -40.1698 -40.1698 -40.1633 -40.1633 -39.9605 -39.9605 -39.9577 -39.9577 -6.2808 -6.2808 -6.1740 -6.1740 -6.1039 -6.1039 -6.0694 -6.0694 -4.2524 -4.2524 -4.1642 -4.1642 -3.9013 -3.9013 -3.8797 -3.8797 -3.7737 -3.7737 -3.6008 -3.6008 -1.5029 -1.5029 1.1800 1.1800 4.3316 4.3316 5.4354 5.4354 6.1505 6.1505 8.6054 8.6054 9.0838 9.0838 9.7864 9.7864 10.5882 10.5882 k =-0.5000 0.2365 0.1931 ( 13546 PWs) bands (ev): -40.1699 -40.1699 -40.1632 -40.1632 -39.9606 -39.9606 -39.9576 -39.9576 -6.2808 -6.2808 -6.1690 -6.1690 -6.1048 -6.1048 -6.0715 -6.0715 -4.2555 -4.2555 -4.1631 -4.1631 -3.8951 -3.8951 -3.8841 -3.8841 -3.7718 -3.7718 -3.6072 -3.6072 -1.5379 -1.5379 1.1850 1.1850 4.4697 4.4697 5.4000 5.4000 6.2844 6.2844 8.5785 8.5785 8.9126 8.9126 9.8326 9.8326 10.5338 10.5338 k =-0.5000 0.2365 0.1755 ( 13554 PWs) bands (ev): -40.1699 -40.1699 -40.1632 -40.1632 -39.9606 -39.9606 -39.9576 -39.9576 -6.2808 -6.2808 -6.1639 -6.1639 -6.1055 -6.1055 -6.0739 -6.0739 -4.2585 -4.2585 -4.1621 -4.1621 -3.8893 -3.8893 -3.8879 -3.8879 -3.7693 -3.7693 -3.6142 -3.6142 -1.5696 -1.5696 1.1878 1.1878 4.6133 4.6133 5.3670 5.3670 6.4219 6.4219 8.5491 8.5491 8.7253 8.7253 9.8566 9.8566 10.4685 10.4685 k =-0.5000 0.2365 0.1580 ( 13548 PWs) bands (ev): -40.1700 -40.1700 -40.1631 -40.1631 -39.9606 -39.9606 -39.9576 -39.9576 -6.2808 -6.2808 -6.1588 -6.1588 -6.1062 -6.1062 -6.0766 -6.0766 -4.2614 -4.2614 -4.1611 -4.1611 -3.8927 -3.8927 -3.8824 -3.8824 -3.7663 -3.7663 -3.6218 -3.6218 -1.5981 -1.5981 1.1889 1.1889 4.7604 4.7604 5.3384 5.3384 6.5616 6.5616 8.5033 8.5033 8.5442 8.5442 9.8365 9.8365 10.4339 10.4339 k =-0.5000 0.2365 0.1404 ( 13542 PWs) bands (ev): -40.1701 -40.1701 -40.1630 -40.1630 -39.9606 -39.9606 -39.9575 -39.9575 -6.2807 -6.2807 -6.1536 -6.1536 -6.1069 -6.1069 -6.0795 -6.0795 -4.2640 -4.2640 -4.1601 -4.1601 -3.8966 -3.8966 -3.8762 -3.8762 -3.7627 -3.7627 -3.6300 -3.6300 -1.6235 -1.6235 1.1887 1.1887 4.9075 4.9075 5.3170 5.3170 6.7025 6.7025 8.3264 8.3264 8.4880 8.4880 9.7705 9.7705 10.4406 10.4406 k =-0.5000 0.2365 0.1229 ( 13542 PWs) bands (ev): -40.1702 -40.1702 -40.1629 -40.1629 -39.9607 -39.9607 -39.9575 -39.9575 -6.2807 -6.2807 -6.1484 -6.1484 -6.1074 -6.1074 -6.0827 -6.0827 -4.2665 -4.2665 -4.1592 -4.1592 -3.9001 -3.9001 -3.8704 -3.8704 -3.7586 -3.7586 -3.6385 -3.6385 -1.6458 -1.6458 1.1877 1.1877 5.0449 5.0449 5.3118 5.3118 6.8435 6.8435 8.1308 8.1308 8.4462 8.4462 9.6769 9.6769 10.4741 10.4741 k =-0.5000 0.2365 0.1053 ( 13538 PWs) bands (ev): -40.1702 -40.1702 -40.1629 -40.1629 -39.9607 -39.9607 -39.9575 -39.9575 -6.2806 -6.2806 -6.1432 -6.1432 -6.1079 -6.1079 -6.0862 -6.0862 -4.2687 -4.2687 -4.1584 -4.1584 -3.9033 -3.9033 -3.8650 -3.8650 -3.7539 -3.7539 -3.6474 -3.6474 -1.6650 -1.6650 1.1861 1.1861 5.1413 5.1413 5.3527 5.3527 6.9828 6.9828 7.9396 7.9396 8.3976 8.3976 9.5748 9.5748 10.5176 10.5176 k =-0.5000 0.2365 0.0878 ( 13554 PWs) bands (ev): -40.1703 -40.1703 -40.1629 -40.1629 -39.9607 -39.9607 -39.9574 -39.9574 -6.2805 -6.2805 -6.1380 -6.1380 -6.1083 -6.1083 -6.0899 -6.0899 -4.2707 -4.2707 -4.1577 -4.1577 -3.9060 -3.9060 -3.8602 -3.8602 -3.7486 -3.7486 -3.6564 -3.6564 -1.6812 -1.6812 1.1844 1.1844 5.1712 5.1712 5.4631 5.4631 7.1161 7.1161 7.7595 7.7595 8.3395 8.3395 9.4765 9.4765 10.5612 10.5612 k =-0.5000 0.2365 0.0702 ( 13570 PWs) bands (ev): -40.1703 -40.1703 -40.1628 -40.1628 -39.9607 -39.9607 -39.9574 -39.9574 -6.2805 -6.2805 -6.1330 -6.1330 -6.1086 -6.1086 -6.0937 -6.0937 -4.2723 -4.2723 -4.1571 -4.1571 -3.9083 -3.9083 -3.8561 -3.8561 -3.7428 -3.7428 -3.6654 -3.6654 -1.6944 -1.6944 1.1827 1.1827 5.1715 5.1715 5.6026 5.6026 7.2286 7.2286 7.6084 7.6084 8.2697 8.2697 9.3898 9.3898 10.5999 10.5999 k =-0.5000 0.2365 0.0527 ( 13574 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9607 -39.9607 -39.9574 -39.9574 -6.2804 -6.2804 -6.1280 -6.1280 -6.1089 -6.1089 -6.0977 -6.0977 -4.2736 -4.2736 -4.1566 -4.1566 -3.9102 -3.9102 -3.8529 -3.8529 -3.7367 -3.7367 -3.6741 -3.6741 -1.7046 -1.7046 1.1812 1.1812 5.1657 5.1657 5.7424 5.7424 7.2589 7.2589 7.5526 7.5526 8.1869 8.1869 9.3194 9.3194 10.6311 10.6311 k =-0.5000 0.2365 0.0351 ( 13572 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2804 -6.2804 -6.1232 -6.1232 -6.1091 -6.1091 -6.1018 -6.1018 -4.2745 -4.2745 -4.1563 -4.1563 -3.9115 -3.9115 -3.8505 -3.8505 -3.7306 -3.7306 -3.6821 -3.6821 -1.7119 -1.7119 1.1800 1.1800 5.1599 5.1599 5.8664 5.8664 7.1797 7.1797 7.6279 7.6279 8.0912 8.0912 9.2682 9.2682 10.6538 10.6538 k =-0.5000 0.2365 0.0176 ( 13580 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2803 -6.2803 -6.1191 -6.1191 -6.1093 -6.1093 -6.1054 -6.1054 -4.2751 -4.2751 -4.1561 -4.1561 -3.9123 -3.9123 -3.8491 -3.8491 -3.7255 -3.7255 -3.6884 -3.6884 -1.7163 -1.7163 1.1792 1.1792 5.1560 5.1560 5.9563 5.9563 7.0960 7.0960 7.7434 7.7434 7.9844 7.9844 9.2372 9.2372 10.6674 10.6674 k =-0.5000 0.2365-0.0000 ( 13592 PWs) bands (ev): -40.1704 -40.1704 -40.1628 -40.1628 -39.9608 -39.9608 -39.9574 -39.9574 -6.2803 -6.2803 -6.1170 -6.1170 -6.1095 -6.1095 -6.1072 -6.1072 -4.2753 -4.2753 -4.1560 -4.1560 -3.9125 -3.9125 -3.8486 -3.8486 -3.7233 -3.7233 -3.6909 -3.6909 -1.7177 -1.7177 1.1790 1.1790 5.1546 5.1546 5.9901 5.9901 7.0627 7.0627 7.8459 7.8459 7.8865 7.8865 9.2269 9.2269 10.6720 10.6720 k = 0.0000 0.0000 0.5792 ( 13558 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2520 -6.2520 -6.2520 -6.2520 -6.0850 -6.0850 -6.0850 -6.0850 -4.2029 -4.2029 -4.2029 -4.2029 -3.9064 -3.9064 -3.9064 -3.9064 -3.6345 -3.6345 -3.6345 -3.6345 -0.4234 -0.4234 -0.4234 -0.4234 5.9850 5.9850 5.9850 5.9850 7.7095 7.7095 7.7095 7.7095 8.1958 8.1958 8.1958 8.1958 9.5088 9.5088 k =-0.0156 0.0074 0.5792 ( 13542 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2520 -6.2520 -6.2520 -6.2520 -6.0850 -6.0850 -6.0850 -6.0850 -4.2029 -4.2029 -4.2029 -4.2029 -3.9064 -3.9064 -3.9064 -3.9064 -3.6346 -3.6346 -3.6346 -3.6346 -0.4227 -0.4227 -0.4227 -0.4227 5.9722 5.9722 5.9722 5.9722 7.7219 7.7219 7.7219 7.7219 8.1943 8.1943 8.1943 8.1943 9.5087 9.5087 k =-0.0312 0.0148 0.5792 ( 13542 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2520 -6.2520 -6.2520 -6.2520 -6.0849 -6.0849 -6.0849 -6.0849 -4.2029 -4.2029 -4.2029 -4.2029 -3.9064 -3.9064 -3.9064 -3.9064 -3.6347 -3.6347 -3.6347 -3.6347 -0.4205 -0.4205 -0.4205 -0.4205 5.9351 5.9351 5.9351 5.9351 7.7566 7.7566 7.7566 7.7566 8.1914 8.1914 8.1914 8.1914 9.5085 9.5085 k =-0.0469 0.0222 0.5792 ( 13526 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2521 -6.2521 -6.2521 -6.2521 -6.0848 -6.0848 -6.0848 -6.0848 -4.2028 -4.2028 -4.2028 -4.2028 -3.9063 -3.9063 -3.9063 -3.9063 -3.6349 -3.6349 -3.6349 -3.6349 -0.4168 -0.4168 -0.4168 -0.4168 5.8771 5.8771 5.8771 5.8771 7.8056 7.8056 7.8056 7.8056 8.1921 8.1921 8.1921 8.1921 9.5081 9.5081 k =-0.0625 0.0296 0.5792 ( 13526 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2522 -6.2522 -6.2522 -6.2522 -6.0846 -6.0846 -6.0846 -6.0846 -4.2028 -4.2028 -4.2028 -4.2028 -3.9063 -3.9063 -3.9063 -3.9063 -3.6351 -3.6351 -3.6351 -3.6351 -0.4117 -0.4117 -0.4117 -0.4117 5.8025 5.8025 5.8025 5.8025 7.8549 7.8549 7.8549 7.8549 8.2073 8.2073 8.2073 8.2073 9.5075 9.5075 k =-0.0781 0.0370 0.5792 ( 13528 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2523 -6.2523 -6.2523 -6.2523 -6.0844 -6.0844 -6.0844 -6.0844 -4.2027 -4.2027 -4.2027 -4.2027 -3.9063 -3.9063 -3.9063 -3.9063 -3.6354 -3.6354 -3.6354 -3.6354 -0.4052 -0.4052 -0.4052 -0.4052 5.7157 5.7157 5.7157 5.7157 7.8861 7.8861 7.8861 7.8861 8.2520 8.2520 8.2520 8.2520 9.5070 9.5070 k =-0.0938 0.0443 0.5792 ( 13526 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2524 -6.2524 -6.2524 -6.2524 -6.0842 -6.0842 -6.0842 -6.0842 -4.2027 -4.2027 -4.2027 -4.2027 -3.9063 -3.9063 -3.9063 -3.9063 -3.6358 -3.6358 -3.6358 -3.6358 -0.3973 -0.3973 -0.3973 -0.3973 5.6203 5.6203 5.6203 5.6203 7.8899 7.8899 7.8899 7.8899 8.3329 8.3329 8.3329 8.3329 9.5067 9.5067 k =-0.1094 0.0517 0.5792 ( 13530 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2525 -6.2525 -6.2525 -6.2525 -6.0839 -6.0839 -6.0839 -6.0839 -4.2026 -4.2026 -4.2026 -4.2026 -3.9063 -3.9063 -3.9063 -3.9063 -3.6362 -3.6362 -3.6362 -3.6362 -0.3882 -0.3882 -0.3882 -0.3882 5.5193 5.5193 5.5193 5.5193 7.8719 7.8719 7.8719 7.8719 8.4421 8.4421 8.4421 8.4421 9.5073 9.5073 k =-0.1250 0.0591 0.5792 ( 13534 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2527 -6.2527 -6.2527 -6.2527 -6.0835 -6.0835 -6.0835 -6.0835 -4.2025 -4.2025 -4.2025 -4.2025 -3.9063 -3.9063 -3.9063 -3.9063 -3.6367 -3.6367 -3.6367 -3.6367 -0.3777 -0.3777 -0.3777 -0.3777 5.4147 5.4147 5.4147 5.4147 7.8408 7.8408 7.8408 7.8408 8.5689 8.5689 8.5689 8.5689 9.5095 9.5095 k =-0.1406 0.0665 0.5792 ( 13514 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2528 -6.2528 -6.2528 -6.2528 -6.0832 -6.0832 -6.0832 -6.0832 -4.2024 -4.2024 -4.2024 -4.2024 -3.9062 -3.9062 -3.9062 -3.9062 -3.6372 -3.6372 -3.6372 -3.6372 -0.3661 -0.3661 -0.3661 -0.3661 5.3084 5.3084 5.3084 5.3084 7.8025 7.8025 7.8025 7.8025 8.7054 8.7054 8.7054 8.7054 9.5147 9.5147 k =-0.1562 0.0739 0.5792 ( 13526 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2530 -6.2530 -6.2530 -6.2530 -6.0828 -6.0828 -6.0828 -6.0828 -4.2023 -4.2023 -4.2023 -4.2023 -3.9062 -3.9062 -3.9062 -3.9062 -3.6378 -3.6378 -3.6378 -3.6378 -0.3533 -0.3533 -0.3533 -0.3533 5.2017 5.2017 5.2017 5.2017 7.7603 7.7603 7.7603 7.7603 8.8453 8.8453 8.8453 8.8453 9.5257 9.5257 k =-0.1719 0.0813 0.5792 ( 13528 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2532 -6.2532 -6.2532 -6.2532 -6.0824 -6.0824 -6.0824 -6.0824 -4.2022 -4.2022 -4.2022 -4.2022 -3.9062 -3.9062 -3.9062 -3.9062 -3.6384 -3.6384 -3.6384 -3.6384 -0.3395 -0.3395 -0.3395 -0.3395 5.0956 5.0956 5.0956 5.0956 7.7160 7.7160 7.7160 7.7160 8.9814 8.9814 8.9814 8.9814 9.5474 9.5474 k =-0.1875 0.0887 0.5792 ( 13524 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2534 -6.2534 -6.2534 -6.2534 -6.0819 -6.0819 -6.0819 -6.0819 -4.2021 -4.2021 -4.2021 -4.2021 -3.9061 -3.9061 -3.9061 -3.9061 -3.6391 -3.6391 -3.6391 -3.6391 -0.3248 -0.3248 -0.3248 -0.3248 4.9908 4.9908 4.9908 4.9908 7.6708 7.6708 7.6708 7.6708 9.1031 9.1031 9.1031 9.1031 9.5889 9.5889 k =-0.2031 0.0961 0.5792 ( 13512 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2536 -6.2536 -6.2536 -6.2536 -6.0815 -6.0815 -6.0815 -6.0815 -4.2020 -4.2020 -4.2020 -4.2020 -3.9060 -3.9060 -3.9060 -3.9060 -3.6398 -3.6398 -3.6398 -3.6398 -0.3093 -0.3093 -0.3093 -0.3093 4.8880 4.8880 4.8880 4.8880 7.6256 7.6256 7.6256 7.6256 9.1974 9.1974 9.1974 9.1974 9.6623 9.6623 k =-0.2188 0.1035 0.5792 ( 13514 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2538 -6.2538 -6.2538 -6.2538 -6.0810 -6.0810 -6.0810 -6.0810 -4.2019 -4.2019 -4.2019 -4.2019 -3.9060 -3.9060 -3.9060 -3.9060 -3.6405 -3.6405 -3.6405 -3.6405 -0.2931 -0.2931 -0.2931 -0.2931 4.7877 4.7877 4.7877 4.7877 7.5811 7.5811 7.5811 7.5811 9.2576 9.2576 9.2576 9.2576 9.7735 9.7735 k =-0.2344 0.1109 0.5792 ( 13518 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2540 -6.2540 -6.2540 -6.2540 -6.0805 -6.0805 -6.0805 -6.0805 -4.2018 -4.2018 -4.2018 -4.2018 -3.9059 -3.9059 -3.9059 -3.9059 -3.6412 -3.6412 -3.6412 -3.6412 -0.2763 -0.2763 -0.2763 -0.2763 4.6905 4.6905 4.6905 4.6905 7.5376 7.5376 7.5376 7.5376 9.2907 9.2907 9.2907 9.2907 9.9151 9.9151 k =-0.2500 0.1183 0.5792 ( 13518 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9591 -39.9591 -39.9591 -39.9591 -6.2543 -6.2543 -6.2543 -6.2543 -6.0800 -6.0800 -6.0800 -6.0800 -4.2017 -4.2017 -4.2017 -4.2017 -3.9058 -3.9058 -3.9058 -3.9058 -3.6419 -3.6419 -3.6419 -3.6419 -0.2590 -0.2590 -0.2590 -0.2590 4.5966 4.5966 4.5966 4.5966 7.4955 7.4955 7.4955 7.4955 9.3073 9.3073 9.3073 9.3073 10.0758 10.0758 k =-0.2656 0.1256 0.5792 ( 13530 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2545 -6.2545 -6.2545 -6.2545 -6.0795 -6.0795 -6.0795 -6.0795 -4.2016 -4.2016 -4.2016 -4.2016 -3.9057 -3.9057 -3.9057 -3.9057 -3.6426 -3.6426 -3.6426 -3.6426 -0.2415 -0.2415 -0.2415 -0.2415 4.5065 4.5065 4.5065 4.5065 7.4552 7.4552 7.4552 7.4552 9.3149 9.3149 9.3149 9.3149 10.2477 10.2477 k =-0.2812 0.1330 0.5792 ( 13538 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2547 -6.2547 -6.2547 -6.2547 -6.0791 -6.0791 -6.0791 -6.0791 -4.2015 -4.2015 -4.2015 -4.2015 -3.9056 -3.9056 -3.9056 -3.9056 -3.6433 -3.6433 -3.6433 -3.6433 -0.2239 -0.2239 -0.2239 -0.2239 4.4204 4.4204 4.4204 4.4204 7.4167 7.4167 7.4167 7.4167 9.3175 9.3175 9.3175 9.3175 10.4265 10.4265 k =-0.2969 0.1404 0.5792 ( 13540 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2549 -6.2549 -6.2549 -6.2549 -6.0786 -6.0786 -6.0786 -6.0786 -4.2014 -4.2014 -4.2014 -4.2014 -3.9055 -3.9055 -3.9055 -3.9055 -3.6440 -3.6440 -3.6440 -3.6440 -0.2063 -0.2063 -0.2063 -0.2063 4.3388 4.3388 4.3388 4.3388 7.3804 7.3804 7.3804 7.3804 9.3171 9.3171 9.3171 9.3171 10.6095 10.6095 k =-0.3125 0.1478 0.5792 ( 13562 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2551 -6.2551 -6.2551 -6.2551 -6.0781 -6.0781 -6.0781 -6.0781 -4.2013 -4.2013 -4.2013 -4.2013 -3.9054 -3.9054 -3.9054 -3.9054 -3.6447 -3.6447 -3.6447 -3.6447 -0.1890 -0.1890 -0.1890 -0.1890 4.2618 4.2618 4.2618 4.2618 7.3463 7.3463 7.3463 7.3463 9.3151 9.3151 9.3151 9.3151 10.7951 10.7951 k =-0.3281 0.1552 0.5792 ( 13554 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2553 -6.2553 -6.2553 -6.2553 -6.0777 -6.0777 -6.0777 -6.0777 -4.2012 -4.2012 -4.2012 -4.2012 -3.9053 -3.9053 -3.9053 -3.9053 -3.6454 -3.6454 -3.6454 -3.6454 -0.1721 -0.1721 -0.1721 -0.1721 4.1897 4.1897 4.1897 4.1897 7.3145 7.3145 7.3145 7.3145 9.3121 9.3121 9.3121 9.3121 10.9820 10.9820 k =-0.3438 0.1626 0.5792 ( 13554 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2555 -6.2555 -6.2555 -6.2555 -6.0773 -6.0773 -6.0773 -6.0773 -4.2012 -4.2012 -4.2012 -4.2012 -3.9052 -3.9052 -3.9052 -3.9052 -3.6460 -3.6460 -3.6460 -3.6460 -0.1557 -0.1557 -0.1557 -0.1557 4.1229 4.1229 4.1229 4.1229 7.2853 7.2853 7.2853 7.2853 9.3086 9.3086 9.3086 9.3086 11.1690 11.1690 k =-0.3594 0.1700 0.5792 ( 13554 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2556 -6.2556 -6.2556 -6.2556 -6.0769 -6.0769 -6.0769 -6.0769 -4.2011 -4.2011 -4.2011 -4.2011 -3.9051 -3.9051 -3.9051 -3.9051 -3.6466 -3.6466 -3.6466 -3.6466 -0.1402 -0.1402 -0.1402 -0.1402 4.0615 4.0615 4.0615 4.0615 7.2586 7.2586 7.2586 7.2586 9.3048 9.3048 9.3048 9.3048 11.3550 11.3550 k =-0.3750 0.1774 0.5792 ( 13564 PWs) bands (ev): -40.1665 -40.1665 -40.1665 -40.1665 -39.9592 -39.9592 -39.9592 -39.9592 -6.2558 -6.2558 -6.2558 -6.2558 -6.0765 -6.0765 -6.0765 -6.0765 -4.2010 -4.2010 -4.2010 -4.2010 -3.9050 -3.9050 -3.9050 -3.9050 -3.6471 -3.6471 -3.6471 -3.6471 -0.1257 -0.1257 -0.1257 -0.1257 4.0058 4.0058 4.0058 4.0058 7.2346 7.2346 7.2346 7.2346 9.3011 9.3011 9.3011 9.3011 11.5388 11.5388 k =-0.3906 0.1848 0.5792 ( 13550 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2559 -6.2559 -6.2559 -6.2559 -6.0762 -6.0762 -6.0762 -6.0762 -4.2010 -4.2010 -4.2010 -4.2010 -3.9049 -3.9049 -3.9049 -3.9049 -3.6476 -3.6476 -3.6476 -3.6476 -0.1123 -0.1123 -0.1123 -0.1123 3.9561 3.9561 3.9561 3.9561 7.2132 7.2132 7.2132 7.2132 9.2975 9.2975 9.2975 9.2975 11.7189 11.7189 k =-0.4062 0.1922 0.5792 ( 13542 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2561 -6.2561 -6.2561 -6.2561 -6.0759 -6.0759 -6.0759 -6.0759 -4.2009 -4.2009 -4.2009 -4.2009 -3.9048 -3.9048 -3.9048 -3.9048 -3.6481 -3.6481 -3.6481 -3.6481 -0.1003 -0.1003 -0.1003 -0.1003 3.9125 3.9125 3.9125 3.9125 7.1946 7.1946 7.1946 7.1946 9.2943 9.2943 9.2943 9.2943 11.8933 11.8933 k =-0.4219 0.1996 0.5792 ( 13550 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2562 -6.2562 -6.2562 -6.2562 -6.0757 -6.0757 -6.0757 -6.0757 -4.2009 -4.2009 -4.2009 -4.2009 -3.9048 -3.9048 -3.9048 -3.9048 -3.6484 -3.6484 -3.6484 -3.6484 -0.0898 -0.0898 -0.0898 -0.0898 3.8752 3.8752 3.8752 3.8752 7.1788 7.1788 7.1788 7.1788 9.2914 9.2914 9.2914 9.2914 12.0592 12.0592 k =-0.4375 0.2069 0.5792 ( 13520 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2563 -6.2563 -6.2563 -6.2563 -6.0755 -6.0755 -6.0755 -6.0755 -4.2009 -4.2009 -4.2009 -4.2009 -3.9047 -3.9047 -3.9047 -3.9047 -3.6487 -3.6487 -3.6487 -3.6487 -0.0810 -0.0810 -0.0810 -0.0810 3.8445 3.8445 3.8445 3.8445 7.1659 7.1659 7.1659 7.1659 9.2889 9.2889 9.2889 9.2889 12.2130 12.2130 k =-0.4531 0.2143 0.5792 ( 13512 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2563 -6.2563 -6.2563 -6.2563 -6.0753 -6.0753 -6.0753 -6.0753 -4.2008 -4.2008 -4.2008 -4.2008 -3.9047 -3.9047 -3.9047 -3.9047 -3.6490 -3.6490 -3.6490 -3.6490 -0.0740 -0.0740 -0.0740 -0.0740 3.8204 3.8204 3.8204 3.8204 7.1558 7.1558 7.1558 7.1558 9.2870 9.2870 9.2870 9.2870 12.3488 12.3488 k =-0.4688 0.2217 0.5792 ( 13520 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2564 -6.2564 -6.2564 -6.2564 -6.0752 -6.0752 -6.0752 -6.0752 -4.2008 -4.2008 -4.2008 -4.2008 -3.9046 -3.9046 -3.9046 -3.9046 -3.6492 -3.6492 -3.6492 -3.6492 -0.0690 -0.0690 -0.0690 -0.0690 3.8031 3.8031 3.8031 3.8031 7.1485 7.1485 7.1485 7.1485 9.2855 9.2855 9.2855 9.2855 12.4584 12.4584 k =-0.4844 0.2291 0.5792 ( 13532 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2564 -6.2564 -6.2564 -6.2564 -6.0751 -6.0751 -6.0751 -6.0751 -4.2008 -4.2008 -4.2008 -4.2008 -3.9046 -3.9046 -3.9046 -3.9046 -3.6493 -3.6493 -3.6493 -3.6493 -0.0659 -0.0659 -0.0659 -0.0659 3.7927 3.7927 3.7927 3.7927 7.1442 7.1442 7.1442 7.1442 9.2847 9.2847 9.2847 9.2847 12.5314 12.5314 k =-0.5000 0.2365 0.5792 ( 13536 PWs) bands (ev): -40.1664 -40.1664 -40.1664 -40.1664 -39.9592 -39.9592 -39.9592 -39.9592 -6.2564 -6.2564 -6.2564 -6.2564 -6.0751 -6.0751 -6.0751 -6.0751 -4.2008 -4.2008 -4.2008 -4.2008 -3.9046 -3.9046 -3.9046 -3.9046 -3.6493 -3.6493 -3.6493 -3.6493 -0.0649 -0.0649 -0.0649 -0.0649 3.7892 3.7892 3.7892 3.7892 7.1427 7.1427 7.1427 7.1427 9.2844 9.2844 9.2844 9.2844 12.5572 12.5572 Writing output data file Li2Tl.save init_run : 0.25s CPU 0.42s WALL ( 1 calls) electrons : 310.63s CPU 313.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 310.62s CPU 313.98s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.20s WALL ( 378 calls) cegterg : 271.41s CPU 273.56s WALL ( 508 calls) Called by sum_band: Called by *egterg: h_psi : 204.37s CPU 205.98s WALL ( 8516 calls) s_psi : 7.33s CPU 7.52s WALL ( 8516 calls) g_psi : 0.68s CPU 0.71s WALL ( 7630 calls) cdiaghg : 48.07s CPU 48.67s WALL ( 8008 calls) cegterg:over : 15.16s CPU 15.06s WALL ( 7630 calls) cegterg:upda : 15.35s CPU 15.33s WALL ( 7630 calls) cegterg:last : 6.99s CPU 7.02s WALL ( 1264 calls) cdiaghg:chol : 2.81s CPU 2.87s WALL ( 8008 calls) cdiaghg:inve : 1.82s CPU 1.76s WALL ( 8008 calls) cdiaghg:para : 2.72s CPU 2.74s WALL ( 16016 calls) Called by h_psi: h_psi:vloc : 186.12s CPU 187.84s WALL ( 8516 calls) h_psi:vnl : 17.38s CPU 17.36s WALL ( 8516 calls) add_vuspsi : 8.07s CPU 8.11s WALL ( 8516 calls) General routines calbec : 9.29s CPU 9.22s WALL ( 8516 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 175.50s CPU 177.09s WALL ( 790272 calls) davcio : 0.46s CPU 0.69s WALL ( 756 calls) Parallel routines fft_scatter : 51.16s CPU 51.46s WALL ( 790287 calls) PWSCF : 5m45.53s CPU 6m 8.49s WALL This run was terminated on: 20:26:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=