Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:12:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./LaPt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 25 7 2136 659 105 Max 58 26 8 2140 684 108 Sum 2697 1235 369 102641 32197 5121 bravais-lattice index = 14 lattice parameter (alat) = 11.0839 a.u. unit-cell volume = 674.5587 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.083853 celldm(2)= 1.000000 celldm(3)= 0.777110 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.770469 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.770469 0.637478 0.000000 ) a(3) = ( 0.000000 0.000000 0.777110 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.208620 -0.000000 ) b(2) = ( 0.000000 1.568682 -0.000000 ) b(3) = ( 0.000000 0.000000 1.286819 ) PseudoPot. # 1 for La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 PseudoPot. # 2 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 atomic species valence mass pseudopotential La 3.00 138.90550 La( 1.00) Pt 10.00 195.08400 Pt( 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 ) ( -0.3885549 ) 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 ) ( 0.3885549 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0062758 0.0174298 -0.0000000), wk = 0.0024876 k( 3) = ( 0.0125516 0.0348596 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0188274 0.0522894 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0251032 0.0697192 -0.0000000), wk = 0.0024876 k( 6) = ( 0.0313790 0.0871490 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0376548 0.1045788 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0439306 0.1220086 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0502064 0.1394384 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0564822 0.1568682 -0.0000000), wk = 0.0024876 k( 11) = ( 0.0627580 0.1742980 -0.0000000), wk = 0.0024876 k( 12) = ( 0.0690338 0.1917278 -0.0000000), wk = 0.0024876 k( 13) = ( 0.0753096 0.2091576 -0.0000000), wk = 0.0024876 k( 14) = ( 0.0815854 0.2265874 -0.0000000), wk = 0.0024876 k( 15) = ( 0.0878612 0.2440172 -0.0000000), wk = 0.0024876 k( 16) = ( 0.0941370 0.2614470 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1004128 0.2788768 -0.0000000), wk = 0.0024876 k( 18) = ( 0.1066886 0.2963066 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1129644 0.3137364 -0.0000000), wk = 0.0024876 k( 20) = ( 0.1192402 0.3311662 -0.0000000), wk = 0.0024876 k( 21) = ( 0.1255160 0.3485960 -0.0000000), wk = 0.0024876 k( 22) = ( 0.1317918 0.3660258 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1380676 0.3834556 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1443435 0.4008854 -0.0000000), wk = 0.0024876 k( 25) = ( 0.1506193 0.4183152 -0.0000000), wk = 0.0024876 k( 26) = ( 0.1568951 0.4357450 -0.0000000), wk = 0.0024876 k( 27) = ( 0.1631709 0.4531748 -0.0000000), wk = 0.0024876 k( 28) = ( 0.1694467 0.4706046 -0.0000000), wk = 0.0024876 k( 29) = ( 0.1757225 0.4880344 -0.0000000), wk = 0.0024876 k( 30) = ( 0.1819983 0.5054642 -0.0000000), wk = 0.0024876 k( 31) = ( 0.1882741 0.5228940 -0.0000000), wk = 0.0024876 k( 32) = ( 0.1945499 0.5403238 -0.0000000), wk = 0.0024876 k( 33) = ( 0.2008257 0.5577536 -0.0000000), wk = 0.0024876 k( 34) = ( 0.2071015 0.5751834 -0.0000000), wk = 0.0024876 k( 35) = ( 0.2133773 0.5926132 -0.0000000), wk = 0.0024876 k( 36) = ( 0.2196531 0.6100430 -0.0000000), wk = 0.0024876 k( 37) = ( 0.2259289 0.6274728 -0.0000000), wk = 0.0024876 k( 38) = ( 0.2322047 0.6449026 -0.0000000), wk = 0.0024876 k( 39) = ( 0.2384805 0.6623324 -0.0000000), wk = 0.0024876 k( 40) = ( 0.2447563 0.6797622 -0.0000000), wk = 0.0024876 k( 41) = ( 0.2510321 0.6971920 -0.0000000), wk = 0.0024876 k( 42) = ( 0.2573079 0.7146218 -0.0000000), wk = 0.0024876 k( 43) = ( 0.2635837 0.7320516 -0.0000000), wk = 0.0024876 k( 44) = ( 0.2698595 0.7494814 -0.0000000), wk = 0.0024876 k( 45) = ( 0.2761353 0.7669112 -0.0000000), wk = 0.0024876 k( 46) = ( 0.2824111 0.7843410 -0.0000000), wk = 0.0024876 k( 47) = ( 0.2824111 0.7843410 -0.0000000), wk = 0.0024876 k( 48) = ( 0.2647604 0.7843410 -0.0000000), wk = 0.0024876 k( 49) = ( 0.2471097 0.7843410 -0.0000000), wk = 0.0024876 k( 50) = ( 0.2294590 0.7843410 -0.0000000), wk = 0.0024876 k( 51) = ( 0.2118083 0.7843410 -0.0000000), wk = 0.0024876 k( 52) = ( 0.1941576 0.7843410 -0.0000000), wk = 0.0024876 k( 53) = ( 0.1765069 0.7843410 -0.0000000), wk = 0.0024876 k( 54) = ( 0.1588562 0.7843410 -0.0000000), wk = 0.0024876 k( 55) = ( 0.1412056 0.7843410 -0.0000000), wk = 0.0024876 k( 56) = ( 0.1235548 0.7843410 -0.0000000), wk = 0.0024876 k( 57) = ( 0.1059042 0.7843410 -0.0000000), wk = 0.0024876 k( 58) = ( 0.0882535 0.7843410 -0.0000000), wk = 0.0024876 k( 59) = ( 0.0706028 0.7843410 -0.0000000), wk = 0.0024876 k( 60) = ( 0.0529521 0.7843410 -0.0000000), wk = 0.0024876 k( 61) = ( 0.0353014 0.7843410 -0.0000000), wk = 0.0024876 k( 62) = ( 0.0176507 0.7843410 -0.0000000), wk = 0.0024876 k( 63) = ( 0.0000000 0.7843410 -0.0000000), wk = 0.0024876 k( 64) = ( 0.0000000 0.7843410 -0.0000000), wk = 0.0024876 k( 65) = ( 0.0000000 0.7843410 0.0183831), wk = 0.0024876 k( 66) = ( 0.0000000 0.7843410 0.0367663), wk = 0.0024876 k( 67) = ( 0.0000000 0.7843410 0.0551494), wk = 0.0024876 k( 68) = ( 0.0000000 0.7843410 0.0735325), wk = 0.0024876 k( 69) = ( 0.0000000 0.7843410 0.0919157), wk = 0.0024876 k( 70) = ( 0.0000000 0.7843410 0.1102988), wk = 0.0024876 k( 71) = ( 0.0000000 0.7843410 0.1286819), wk = 0.0024876 k( 72) = ( 0.0000000 0.7843410 0.1470651), wk = 0.0024876 k( 73) = ( 0.0000000 0.7843410 0.1654482), wk = 0.0024876 k( 74) = ( 0.0000000 0.7843410 0.1838313), wk = 0.0024876 k( 75) = ( 0.0000000 0.7843410 0.2022145), wk = 0.0024876 k( 76) = ( 0.0000000 0.7843410 0.2205976), wk = 0.0024876 k( 77) = ( 0.0000000 0.7843410 0.2389807), wk = 0.0024876 k( 78) = ( 0.0000000 0.7843410 0.2573639), wk = 0.0024876 k( 79) = ( 0.0000000 0.7843410 0.2757470), wk = 0.0024876 k( 80) = ( 0.0000000 0.7843410 0.2941301), wk = 0.0024876 k( 81) = ( 0.0000000 0.7843410 0.3125133), wk = 0.0024876 k( 82) = ( 0.0000000 0.7843410 0.3308964), wk = 0.0024876 k( 83) = ( 0.0000000 0.7843410 0.3492795), wk = 0.0024876 k( 84) = ( 0.0000000 0.7843410 0.3676627), wk = 0.0024876 k( 85) = ( 0.0000000 0.7843410 0.3860458), wk = 0.0024876 k( 86) = ( 0.0000000 0.7843410 0.4044289), wk = 0.0024876 k( 87) = ( 0.0000000 0.7843410 0.4228121), wk = 0.0024876 k( 88) = ( 0.0000000 0.7843410 0.4411952), wk = 0.0024876 k( 89) = ( 0.0000000 0.7843410 0.4595784), wk = 0.0024876 k( 90) = ( 0.0000000 0.7843410 0.4779615), wk = 0.0024876 k( 91) = ( 0.0000000 0.7843410 0.4963446), wk = 0.0024876 k( 92) = ( 0.0000000 0.7843410 0.5147278), wk = 0.0024876 k( 93) = ( 0.0000000 0.7843410 0.5331109), wk = 0.0024876 k( 94) = ( 0.0000000 0.7843410 0.5514940), wk = 0.0024876 k( 95) = ( 0.0000000 0.7843410 0.5698772), wk = 0.0024876 k( 96) = ( 0.0000000 0.7843410 0.5882603), wk = 0.0024876 k( 97) = ( 0.0000000 0.7843410 0.6066434), wk = 0.0024876 k( 98) = ( 0.0000000 0.7843410 0.6250266), wk = 0.0024876 k( 99) = ( 0.0000000 0.7843410 0.6434097), wk = 0.0024876 k( 100) = ( 0.0000000 0.7843410 0.6434097), wk = 0.0024876 k( 101) = ( 0.0176507 0.7843410 0.6434097), wk = 0.0024876 k( 102) = ( 0.0353014 0.7843410 0.6434097), wk = 0.0024876 k( 103) = ( 0.0529521 0.7843410 0.6434097), wk = 0.0024876 k( 104) = ( 0.0706028 0.7843410 0.6434097), wk = 0.0024876 k( 105) = ( 0.0882535 0.7843410 0.6434097), wk = 0.0024876 k( 106) = ( 0.1059042 0.7843410 0.6434097), wk = 0.0024876 k( 107) = ( 0.1235548 0.7843410 0.6434097), wk = 0.0024876 k( 108) = ( 0.1412056 0.7843410 0.6434097), wk = 0.0024876 k( 109) = ( 0.1588562 0.7843410 0.6434097), wk = 0.0024876 k( 110) = ( 0.1765069 0.7843410 0.6434097), wk = 0.0024876 k( 111) = ( 0.1941576 0.7843410 0.6434097), wk = 0.0024876 k( 112) = ( 0.2118083 0.7843410 0.6434097), wk = 0.0024876 k( 113) = ( 0.2294590 0.7843410 0.6434097), wk = 0.0024876 k( 114) = ( 0.2471097 0.7843410 0.6434097), wk = 0.0024876 k( 115) = ( 0.2647604 0.7843410 0.6434097), wk = 0.0024876 k( 116) = ( 0.2824111 0.7843410 0.6434097), wk = 0.0024876 k( 117) = ( 0.2824111 0.7843410 0.6434097), wk = 0.0024876 k( 118) = ( 0.2761353 0.7669112 0.6434097), wk = 0.0024876 k( 119) = ( 0.2698595 0.7494814 0.6434097), wk = 0.0024876 k( 120) = ( 0.2635837 0.7320516 0.6434097), wk = 0.0024876 k( 121) = ( 0.2573079 0.7146218 0.6434097), wk = 0.0024876 k( 122) = ( 0.2510321 0.6971920 0.6434097), wk = 0.0024876 k( 123) = ( 0.2447563 0.6797622 0.6434097), wk = 0.0024876 k( 124) = ( 0.2384805 0.6623324 0.6434097), wk = 0.0024876 k( 125) = ( 0.2322047 0.6449026 0.6434097), wk = 0.0024876 k( 126) = ( 0.2259289 0.6274728 0.6434097), wk = 0.0024876 k( 127) = ( 0.2196531 0.6100430 0.6434097), wk = 0.0024876 k( 128) = ( 0.2133773 0.5926132 0.6434097), wk = 0.0024876 k( 129) = ( 0.2071015 0.5751834 0.6434097), wk = 0.0024876 k( 130) = ( 0.2008257 0.5577536 0.6434097), wk = 0.0024876 k( 131) = ( 0.1945499 0.5403238 0.6434097), wk = 0.0024876 k( 132) = ( 0.1882741 0.5228940 0.6434097), wk = 0.0024876 k( 133) = ( 0.1819983 0.5054642 0.6434097), wk = 0.0024876 k( 134) = ( 0.1757225 0.4880344 0.6434097), wk = 0.0024876 k( 135) = ( 0.1694467 0.4706046 0.6434097), wk = 0.0024876 k( 136) = ( 0.1631709 0.4531748 0.6434097), wk = 0.0024876 k( 137) = ( 0.1568951 0.4357450 0.6434097), wk = 0.0024876 k( 138) = ( 0.1506193 0.4183152 0.6434097), wk = 0.0024876 k( 139) = ( 0.1443435 0.4008854 0.6434097), wk = 0.0024876 k( 140) = ( 0.1380676 0.3834556 0.6434097), wk = 0.0024876 k( 141) = ( 0.1317918 0.3660258 0.6434097), wk = 0.0024876 k( 142) = ( 0.1255160 0.3485960 0.6434097), wk = 0.0024876 k( 143) = ( 0.1192402 0.3311662 0.6434097), wk = 0.0024876 k( 144) = ( 0.1129644 0.3137364 0.6434097), wk = 0.0024876 k( 145) = ( 0.1066886 0.2963066 0.6434097), wk = 0.0024876 k( 146) = ( 0.1004128 0.2788768 0.6434097), wk = 0.0024876 k( 147) = ( 0.0941370 0.2614470 0.6434097), wk = 0.0024876 k( 148) = ( 0.0878612 0.2440172 0.6434097), wk = 0.0024876 k( 149) = ( 0.0815854 0.2265874 0.6434097), wk = 0.0024876 k( 150) = ( 0.0753096 0.2091576 0.6434097), wk = 0.0024876 k( 151) = ( 0.0690338 0.1917278 0.6434097), wk = 0.0024876 k( 152) = ( 0.0627580 0.1742980 0.6434097), wk = 0.0024876 k( 153) = ( 0.0564822 0.1568682 0.6434097), wk = 0.0024876 k( 154) = ( 0.0502064 0.1394384 0.6434097), wk = 0.0024876 k( 155) = ( 0.0439306 0.1220086 0.6434097), wk = 0.0024876 k( 156) = ( 0.0376548 0.1045788 0.6434097), wk = 0.0024876 k( 157) = ( 0.0313790 0.0871490 0.6434097), wk = 0.0024876 k( 158) = ( 0.0251032 0.0697192 0.6434097), wk = 0.0024876 k( 159) = ( 0.0188274 0.0522894 0.6434097), wk = 0.0024876 k( 160) = ( 0.0125516 0.0348596 0.6434097), wk = 0.0024876 k( 161) = ( 0.0062758 0.0174298 0.6434097), wk = 0.0024876 k( 162) = ( 0.0000000 0.0000000 0.6434097), wk = 0.0024876 k( 163) = ( 0.0000000 0.0000000 0.6434097), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.6250266), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.6066434), wk = 0.0024876 k( 166) = ( 0.0000000 0.0000000 0.5882603), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.5698772), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.5514940), wk = 0.0024876 k( 169) = ( 0.0000000 0.0000000 0.5331109), wk = 0.0024876 k( 170) = ( 0.0000000 0.0000000 0.5147278), wk = 0.0024876 k( 171) = ( 0.0000000 0.0000000 0.4963446), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.4779615), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.4595784), wk = 0.0024876 k( 174) = ( 0.0000000 0.0000000 0.4411952), wk = 0.0024876 k( 175) = ( 0.0000000 0.0000000 0.4228121), wk = 0.0024876 k( 176) = ( 0.0000000 0.0000000 0.4044289), wk = 0.0024876 k( 177) = ( 0.0000000 0.0000000 0.3860458), wk = 0.0024876 k( 178) = ( 0.0000000 0.0000000 0.3676627), wk = 0.0024876 k( 179) = ( 0.0000000 0.0000000 0.3492795), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.3308964), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.3125133), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.2941301), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.2757470), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.2573639), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.2389807), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.2205976), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.2022145), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.1838313), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.1654482), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.1470651), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.1286819), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.1102988), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.0919157), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.0735325), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.0551494), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.0367663), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.0183831), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 200) = ( -0.0172414 0.0062080 -0.0000000), wk = 0.0024876 k( 201) = ( -0.0344828 0.0124159 -0.0000000), wk = 0.0024876 k( 202) = ( -0.0517241 0.0186239 -0.0000000), wk = 0.0024876 k( 203) = ( -0.0689655 0.0248318 -0.0000000), wk = 0.0024876 k( 204) = ( -0.0862069 0.0310398 -0.0000000), wk = 0.0024876 k( 205) = ( -0.1034483 0.0372478 -0.0000000), wk = 0.0024876 k( 206) = ( -0.1206897 0.0434557 -0.0000000), wk = 0.0024876 k( 207) = ( -0.1379310 0.0496637 -0.0000000), wk = 0.0024876 k( 208) = ( -0.1551724 0.0558716 -0.0000000), wk = 0.0024876 k( 209) = ( -0.1724138 0.0620796 -0.0000000), wk = 0.0024876 k( 210) = ( -0.1896552 0.0682875 -0.0000000), wk = 0.0024876 k( 211) = ( -0.2068966 0.0744955 -0.0000000), wk = 0.0024876 k( 212) = ( -0.2241379 0.0807035 -0.0000000), wk = 0.0024876 k( 213) = ( -0.2413793 0.0869114 -0.0000000), wk = 0.0024876 k( 214) = ( -0.2586207 0.0931194 -0.0000000), wk = 0.0024876 k( 215) = ( -0.2758621 0.0993273 -0.0000000), wk = 0.0024876 k( 216) = ( -0.2931034 0.1055353 -0.0000000), wk = 0.0024876 k( 217) = ( -0.3103448 0.1117433 -0.0000000), wk = 0.0024876 k( 218) = ( -0.3275862 0.1179512 -0.0000000), wk = 0.0024876 k( 219) = ( -0.3448276 0.1241592 -0.0000000), wk = 0.0024876 k( 220) = ( -0.3620690 0.1303671 -0.0000000), wk = 0.0024876 k( 221) = ( -0.3793103 0.1365751 -0.0000000), wk = 0.0024876 k( 222) = ( -0.3965517 0.1427831 -0.0000000), wk = 0.0024876 k( 223) = ( -0.4137931 0.1489910 -0.0000000), wk = 0.0024876 k( 224) = ( -0.4310345 0.1551990 -0.0000000), wk = 0.0024876 k( 225) = ( -0.4482759 0.1614069 -0.0000000), wk = 0.0024876 k( 226) = ( -0.4655172 0.1676149 -0.0000000), wk = 0.0024876 k( 227) = ( -0.4827586 0.1738228 -0.0000000), wk = 0.0024876 k( 228) = ( -0.5000000 0.1800308 -0.0000000), wk = 0.0024876 k( 229) = ( -0.5000000 0.1800308 -0.0000000), wk = 0.0024876 k( 230) = ( -0.4937832 0.1972968 -0.0000000), wk = 0.0024876 k( 231) = ( -0.4875663 0.2145628 -0.0000000), wk = 0.0024876 k( 232) = ( -0.4813495 0.2318288 -0.0000000), wk = 0.0024876 k( 233) = ( -0.4751327 0.2490948 -0.0000000), wk = 0.0024876 k( 234) = ( -0.4689159 0.2663608 -0.0000000), wk = 0.0024876 k( 235) = ( -0.4626990 0.2836269 -0.0000000), wk = 0.0024876 k( 236) = ( -0.4564822 0.3008928 -0.0000000), wk = 0.0024876 k( 237) = ( -0.4502654 0.3181589 -0.0000000), wk = 0.0024876 k( 238) = ( -0.4440486 0.3354248 -0.0000000), wk = 0.0024876 k( 239) = ( -0.4378317 0.3526909 -0.0000000), wk = 0.0024876 k( 240) = ( -0.4316149 0.3699569 -0.0000000), wk = 0.0024876 k( 241) = ( -0.4253981 0.3872229 -0.0000000), wk = 0.0024876 k( 242) = ( -0.4191813 0.4044889 -0.0000000), wk = 0.0024876 k( 243) = ( -0.4129644 0.4217549 -0.0000000), wk = 0.0024876 k( 244) = ( -0.4067476 0.4390209 -0.0000000), wk = 0.0024876 k( 245) = ( -0.4005308 0.4562869 -0.0000000), wk = 0.0024876 k( 246) = ( -0.3943140 0.4735529 -0.0000000), wk = 0.0024876 k( 247) = ( -0.3880971 0.4908189 -0.0000000), wk = 0.0024876 k( 248) = ( -0.3818803 0.5080849 -0.0000000), wk = 0.0024876 k( 249) = ( -0.3756635 0.5253509 -0.0000000), wk = 0.0024876 k( 250) = ( -0.3694466 0.5426169 -0.0000000), wk = 0.0024876 k( 251) = ( -0.3632298 0.5598829 -0.0000000), wk = 0.0024876 k( 252) = ( -0.3570130 0.5771490 -0.0000000), wk = 0.0024876 k( 253) = ( -0.3507962 0.5944149 -0.0000000), wk = 0.0024876 k( 254) = ( -0.3445794 0.6116810 -0.0000000), wk = 0.0024876 k( 255) = ( -0.3383625 0.6289470 -0.0000000), wk = 0.0024876 k( 256) = ( -0.3321457 0.6462130 -0.0000000), wk = 0.0024876 k( 257) = ( -0.3259289 0.6634790 -0.0000000), wk = 0.0024876 k( 258) = ( -0.3197121 0.6807450 -0.0000000), wk = 0.0024876 k( 259) = ( -0.3134952 0.6980110 -0.0000000), wk = 0.0024876 k( 260) = ( -0.3072784 0.7152770 -0.0000000), wk = 0.0024876 k( 261) = ( -0.3010616 0.7325430 -0.0000000), wk = 0.0024876 k( 262) = ( -0.2948447 0.7498090 -0.0000000), wk = 0.0024876 k( 263) = ( -0.2886279 0.7670750 -0.0000000), wk = 0.0024876 k( 264) = ( -0.2824111 0.7843410 -0.0000000), wk = 0.0024876 k( 265) = ( -0.2824111 0.7843410 -0.0000000), wk = 0.0024876 k( 266) = ( -0.2824111 0.7843410 0.0183831), wk = 0.0024876 k( 267) = ( -0.2824111 0.7843410 0.0367663), wk = 0.0024876 k( 268) = ( -0.2824111 0.7843410 0.0551494), wk = 0.0024876 k( 269) = ( -0.2824111 0.7843410 0.0735325), wk = 0.0024876 k( 270) = ( -0.2824111 0.7843410 0.0919157), wk = 0.0024876 k( 271) = ( -0.2824111 0.7843410 0.1102988), wk = 0.0024876 k( 272) = ( -0.2824111 0.7843410 0.1286819), wk = 0.0024876 k( 273) = ( -0.2824111 0.7843410 0.1470651), wk = 0.0024876 k( 274) = ( -0.2824111 0.7843410 0.1654482), wk = 0.0024876 k( 275) = ( -0.2824111 0.7843410 0.1838313), wk = 0.0024876 k( 276) = ( -0.2824111 0.7843410 0.2022145), wk = 0.0024876 k( 277) = ( -0.2824111 0.7843410 0.2205976), wk = 0.0024876 k( 278) = ( -0.2824111 0.7843410 0.2389807), wk = 0.0024876 k( 279) = ( -0.2824111 0.7843410 0.2573639), wk = 0.0024876 k( 280) = ( -0.2824111 0.7843410 0.2757470), wk = 0.0024876 k( 281) = ( -0.2824111 0.7843410 0.2941301), wk = 0.0024876 k( 282) = ( -0.2824111 0.7843410 0.3125133), wk = 0.0024876 k( 283) = ( -0.2824111 0.7843410 0.3308964), wk = 0.0024876 k( 284) = ( -0.2824111 0.7843410 0.3492795), wk = 0.0024876 k( 285) = ( -0.2824111 0.7843410 0.3676627), wk = 0.0024876 k( 286) = ( -0.2824111 0.7843410 0.3860458), wk = 0.0024876 k( 287) = ( -0.2824111 0.7843410 0.4044289), wk = 0.0024876 k( 288) = ( -0.2824111 0.7843410 0.4228121), wk = 0.0024876 k( 289) = ( -0.2824111 0.7843410 0.4411952), wk = 0.0024876 k( 290) = ( -0.2824111 0.7843410 0.4595784), wk = 0.0024876 k( 291) = ( -0.2824111 0.7843410 0.4779615), wk = 0.0024876 k( 292) = ( -0.2824111 0.7843410 0.4963446), wk = 0.0024876 k( 293) = ( -0.2824111 0.7843410 0.5147278), wk = 0.0024876 k( 294) = ( -0.2824111 0.7843410 0.5331109), wk = 0.0024876 k( 295) = ( -0.2824111 0.7843410 0.5514940), wk = 0.0024876 k( 296) = ( -0.2824111 0.7843410 0.5698772), wk = 0.0024876 k( 297) = ( -0.2824111 0.7843410 0.5882603), wk = 0.0024876 k( 298) = ( -0.2824111 0.7843410 0.6066434), wk = 0.0024876 k( 299) = ( -0.2824111 0.7843410 0.6250266), wk = 0.0024876 k( 300) = ( -0.2824111 0.7843410 0.6434097), wk = 0.0024876 k( 301) = ( -0.2824111 0.7843410 0.6434097), wk = 0.0024876 k( 302) = ( -0.2886279 0.7670750 0.6434097), wk = 0.0024876 k( 303) = ( -0.2948447 0.7498090 0.6434097), wk = 0.0024876 k( 304) = ( -0.3010616 0.7325430 0.6434097), wk = 0.0024876 k( 305) = ( -0.3072784 0.7152770 0.6434097), wk = 0.0024876 k( 306) = ( -0.3134952 0.6980110 0.6434097), wk = 0.0024876 k( 307) = ( -0.3197121 0.6807450 0.6434097), wk = 0.0024876 k( 308) = ( -0.3259289 0.6634790 0.6434097), wk = 0.0024876 k( 309) = ( -0.3321457 0.6462130 0.6434097), wk = 0.0024876 k( 310) = ( -0.3383625 0.6289470 0.6434097), wk = 0.0024876 k( 311) = ( -0.3445794 0.6116810 0.6434097), wk = 0.0024876 k( 312) = ( -0.3507962 0.5944149 0.6434097), wk = 0.0024876 k( 313) = ( -0.3570130 0.5771490 0.6434097), wk = 0.0024876 k( 314) = ( -0.3632298 0.5598829 0.6434097), wk = 0.0024876 k( 315) = ( -0.3694466 0.5426169 0.6434097), wk = 0.0024876 k( 316) = ( -0.3756635 0.5253509 0.6434097), wk = 0.0024876 k( 317) = ( -0.3818803 0.5080849 0.6434097), wk = 0.0024876 k( 318) = ( -0.3880971 0.4908189 0.6434097), wk = 0.0024876 k( 319) = ( -0.3943140 0.4735529 0.6434097), wk = 0.0024876 k( 320) = ( -0.4005308 0.4562869 0.6434097), wk = 0.0024876 k( 321) = ( -0.4067476 0.4390209 0.6434097), wk = 0.0024876 k( 322) = ( -0.4129644 0.4217549 0.6434097), wk = 0.0024876 k( 323) = ( -0.4191813 0.4044889 0.6434097), wk = 0.0024876 k( 324) = ( -0.4253981 0.3872229 0.6434097), wk = 0.0024876 k( 325) = ( -0.4316149 0.3699569 0.6434097), wk = 0.0024876 k( 326) = ( -0.4378317 0.3526909 0.6434097), wk = 0.0024876 k( 327) = ( -0.4440486 0.3354248 0.6434097), wk = 0.0024876 k( 328) = ( -0.4502654 0.3181589 0.6434097), wk = 0.0024876 k( 329) = ( -0.4564822 0.3008928 0.6434097), wk = 0.0024876 k( 330) = ( -0.4626990 0.2836269 0.6434097), wk = 0.0024876 k( 331) = ( -0.4689159 0.2663608 0.6434097), wk = 0.0024876 k( 332) = ( -0.4751327 0.2490948 0.6434097), wk = 0.0024876 k( 333) = ( -0.4813495 0.2318288 0.6434097), wk = 0.0024876 k( 334) = ( -0.4875663 0.2145628 0.6434097), wk = 0.0024876 k( 335) = ( -0.4937832 0.1972968 0.6434097), wk = 0.0024876 k( 336) = ( -0.5000000 0.1800308 0.6434097), wk = 0.0024876 k( 337) = ( -0.5000000 0.1800308 0.6434097), wk = 0.0024876 k( 338) = ( -0.5000000 0.1800308 0.6250266), wk = 0.0024876 k( 339) = ( -0.5000000 0.1800308 0.6066434), wk = 0.0024876 k( 340) = ( -0.5000000 0.1800308 0.5882603), wk = 0.0024876 k( 341) = ( -0.5000000 0.1800308 0.5698772), wk = 0.0024876 k( 342) = ( -0.5000000 0.1800308 0.5514940), wk = 0.0024876 k( 343) = ( -0.5000000 0.1800308 0.5331109), wk = 0.0024876 k( 344) = ( -0.5000000 0.1800308 0.5147278), wk = 0.0024876 k( 345) = ( -0.5000000 0.1800308 0.4963446), wk = 0.0024876 k( 346) = ( -0.5000000 0.1800308 0.4779615), wk = 0.0024876 k( 347) = ( -0.5000000 0.1800308 0.4595784), wk = 0.0024876 k( 348) = ( -0.5000000 0.1800308 0.4411952), wk = 0.0024876 k( 349) = ( -0.5000000 0.1800308 0.4228121), wk = 0.0024876 k( 350) = ( -0.5000000 0.1800308 0.4044289), wk = 0.0024876 k( 351) = ( -0.5000000 0.1800308 0.3860458), wk = 0.0024876 k( 352) = ( -0.5000000 0.1800308 0.3676627), wk = 0.0024876 k( 353) = ( -0.5000000 0.1800308 0.3492795), wk = 0.0024876 k( 354) = ( -0.5000000 0.1800308 0.3308964), wk = 0.0024876 k( 355) = ( -0.5000000 0.1800308 0.3125133), wk = 0.0024876 k( 356) = ( -0.5000000 0.1800308 0.2941301), wk = 0.0024876 k( 357) = ( -0.5000000 0.1800308 0.2757470), wk = 0.0024876 k( 358) = ( -0.5000000 0.1800308 0.2573639), wk = 0.0024876 k( 359) = ( -0.5000000 0.1800308 0.2389807), wk = 0.0024876 k( 360) = ( -0.5000000 0.1800308 0.2205976), wk = 0.0024876 k( 361) = ( -0.5000000 0.1800308 0.2022145), wk = 0.0024876 k( 362) = ( -0.5000000 0.1800308 0.1838313), wk = 0.0024876 k( 363) = ( -0.5000000 0.1800308 0.1654482), wk = 0.0024876 k( 364) = ( -0.5000000 0.1800308 0.1470651), wk = 0.0024876 k( 365) = ( -0.5000000 0.1800308 0.1286819), wk = 0.0024876 k( 366) = ( -0.5000000 0.1800308 0.1102988), wk = 0.0024876 k( 367) = ( -0.5000000 0.1800308 0.0919157), wk = 0.0024876 k( 368) = ( -0.5000000 0.1800308 0.0735325), wk = 0.0024876 k( 369) = ( -0.5000000 0.1800308 0.0551494), wk = 0.0024876 k( 370) = ( -0.5000000 0.1800308 0.0367663), wk = 0.0024876 k( 371) = ( -0.5000000 0.1800308 0.0183831), wk = 0.0024876 k( 372) = ( -0.5000000 0.1800308 -0.0000000), wk = 0.0024876 k( 373) = ( 0.0000000 0.0000000 0.6434097), wk = 0.0024876 k( 374) = ( -0.0172414 0.0062080 0.6434097), wk = 0.0024876 k( 375) = ( -0.0344828 0.0124159 0.6434097), wk = 0.0024876 k( 376) = ( -0.0517241 0.0186239 0.6434097), wk = 0.0024876 k( 377) = ( -0.0689655 0.0248318 0.6434097), wk = 0.0024876 k( 378) = ( -0.0862069 0.0310398 0.6434097), wk = 0.0024876 k( 379) = ( -0.1034483 0.0372478 0.6434097), wk = 0.0024876 k( 380) = ( -0.1206897 0.0434557 0.6434097), wk = 0.0024876 k( 381) = ( -0.1379310 0.0496637 0.6434097), wk = 0.0024876 k( 382) = ( -0.1551724 0.0558716 0.6434097), wk = 0.0024876 k( 383) = ( -0.1724138 0.0620796 0.6434097), wk = 0.0024876 k( 384) = ( -0.1896552 0.0682875 0.6434097), wk = 0.0024876 k( 385) = ( -0.2068966 0.0744955 0.6434097), wk = 0.0024876 k( 386) = ( -0.2241379 0.0807035 0.6434097), wk = 0.0024876 k( 387) = ( -0.2413793 0.0869114 0.6434097), wk = 0.0024876 k( 388) = ( -0.2586207 0.0931194 0.6434097), wk = 0.0024876 k( 389) = ( -0.2758621 0.0993273 0.6434097), wk = 0.0024876 k( 390) = ( -0.2931034 0.1055353 0.6434097), wk = 0.0024876 k( 391) = ( -0.3103448 0.1117433 0.6434097), wk = 0.0024876 k( 392) = ( -0.3275862 0.1179512 0.6434097), wk = 0.0024876 k( 393) = ( -0.3448276 0.1241592 0.6434097), wk = 0.0024876 k( 394) = ( -0.3620690 0.1303671 0.6434097), wk = 0.0024876 k( 395) = ( -0.3793103 0.1365751 0.6434097), wk = 0.0024876 k( 396) = ( -0.3965517 0.1427831 0.6434097), wk = 0.0024876 k( 397) = ( -0.4137931 0.1489910 0.6434097), wk = 0.0024876 k( 398) = ( -0.4310345 0.1551990 0.6434097), wk = 0.0024876 k( 399) = ( -0.4482759 0.1614069 0.6434097), wk = 0.0024876 k( 400) = ( -0.4655172 0.1676149 0.6434097), wk = 0.0024876 k( 401) = ( -0.4827586 0.1738228 0.6434097), wk = 0.0024876 k( 402) = ( -0.5000000 0.1800308 0.6434097), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0062758 0.0062758 0.0000000), wk = 0.0024876 k( 3) = ( 0.0125516 0.0125516 0.0000000), wk = 0.0024876 k( 4) = ( 0.0188274 0.0188274 0.0000000), wk = 0.0024876 k( 5) = ( 0.0251032 0.0251032 0.0000000), wk = 0.0024876 k( 6) = ( 0.0313790 0.0313790 0.0000000), wk = 0.0024876 k( 7) = ( 0.0376548 0.0376548 0.0000000), wk = 0.0024876 k( 8) = ( 0.0439306 0.0439306 0.0000000), wk = 0.0024876 k( 9) = ( 0.0502064 0.0502064 0.0000000), wk = 0.0024876 k( 10) = ( 0.0564822 0.0564822 0.0000000), wk = 0.0024876 k( 11) = ( 0.0627580 0.0627580 0.0000000), wk = 0.0024876 k( 12) = ( 0.0690338 0.0690338 0.0000000), wk = 0.0024876 k( 13) = ( 0.0753096 0.0753096 0.0000000), wk = 0.0024876 k( 14) = ( 0.0815854 0.0815854 0.0000000), wk = 0.0024876 k( 15) = ( 0.0878612 0.0878612 0.0000000), wk = 0.0024876 k( 16) = ( 0.0941370 0.0941370 0.0000000), wk = 0.0024876 k( 17) = ( 0.1004128 0.1004128 0.0000000), wk = 0.0024876 k( 18) = ( 0.1066886 0.1066886 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1129644 0.1129644 0.0000000), wk = 0.0024876 k( 20) = ( 0.1192402 0.1192402 0.0000000), wk = 0.0024876 k( 21) = ( 0.1255160 0.1255160 0.0000000), wk = 0.0024876 k( 22) = ( 0.1317918 0.1317918 0.0000000), wk = 0.0024876 k( 23) = ( 0.1380676 0.1380676 0.0000000), wk = 0.0024876 k( 24) = ( 0.1443435 0.1443435 0.0000000), wk = 0.0024876 k( 25) = ( 0.1506193 0.1506192 0.0000000), wk = 0.0024876 k( 26) = ( 0.1568951 0.1568951 0.0000000), wk = 0.0024876 k( 27) = ( 0.1631709 0.1631709 0.0000000), wk = 0.0024876 k( 28) = ( 0.1694467 0.1694467 0.0000000), wk = 0.0024876 k( 29) = ( 0.1757225 0.1757225 0.0000000), wk = 0.0024876 k( 30) = ( 0.1819983 0.1819983 0.0000000), wk = 0.0024876 k( 31) = ( 0.1882741 0.1882741 0.0000000), wk = 0.0024876 k( 32) = ( 0.1945499 0.1945499 0.0000000), wk = 0.0024876 k( 33) = ( 0.2008257 0.2008257 0.0000000), wk = 0.0024876 k( 34) = ( 0.2071015 0.2071015 0.0000000), wk = 0.0024876 k( 35) = ( 0.2133773 0.2133773 0.0000000), wk = 0.0024876 k( 36) = ( 0.2196531 0.2196531 0.0000000), wk = 0.0024876 k( 37) = ( 0.2259289 0.2259289 0.0000000), wk = 0.0024876 k( 38) = ( 0.2322047 0.2322047 0.0000000), wk = 0.0024876 k( 39) = ( 0.2384805 0.2384805 0.0000000), wk = 0.0024876 k( 40) = ( 0.2447563 0.2447563 0.0000000), wk = 0.0024876 k( 41) = ( 0.2510321 0.2510321 0.0000000), wk = 0.0024876 k( 42) = ( 0.2573079 0.2573079 0.0000000), wk = 0.0024876 k( 43) = ( 0.2635837 0.2635837 0.0000000), wk = 0.0024876 k( 44) = ( 0.2698595 0.2698595 -0.0000000), wk = 0.0024876 k( 45) = ( 0.2761353 0.2761353 0.0000000), wk = 0.0024876 k( 46) = ( 0.2824111 0.2824111 0.0000000), wk = 0.0024876 k( 47) = ( 0.2824111 0.2824111 0.0000000), wk = 0.0024876 k( 48) = ( 0.2647604 0.2960104 0.0000000), wk = 0.0024876 k( 49) = ( 0.2471097 0.3096097 0.0000000), wk = 0.0024876 k( 50) = ( 0.2294590 0.3232090 0.0000000), wk = 0.0024876 k( 51) = ( 0.2118083 0.3368083 0.0000000), wk = 0.0024876 k( 52) = ( 0.1941576 0.3504076 -0.0000000), wk = 0.0024876 k( 53) = ( 0.1765069 0.3640069 0.0000000), wk = 0.0024876 k( 54) = ( 0.1588562 0.3776062 0.0000000), wk = 0.0024876 k( 55) = ( 0.1412056 0.3912056 0.0000000), wk = 0.0024876 k( 56) = ( 0.1235548 0.4048049 0.0000000), wk = 0.0024876 k( 57) = ( 0.1059042 0.4184042 0.0000000), wk = 0.0024876 k( 58) = ( 0.0882535 0.4320035 0.0000000), wk = 0.0024876 k( 59) = ( 0.0706028 0.4456028 0.0000000), wk = 0.0024876 k( 60) = ( 0.0529521 0.4592021 0.0000000), wk = 0.0024876 k( 61) = ( 0.0353014 0.4728014 0.0000000), wk = 0.0024876 k( 62) = ( 0.0176507 0.4864007 0.0000000), wk = 0.0024876 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 65) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0024876 k( 66) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0024876 k( 67) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0024876 k( 68) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0024876 k( 69) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0024876 k( 70) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0024876 k( 71) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024876 k( 72) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0024876 k( 73) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0024876 k( 74) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0024876 k( 75) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0024876 k( 76) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0024876 k( 77) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0024876 k( 78) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024876 k( 79) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0024876 k( 80) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0024876 k( 81) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0024876 k( 82) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0024876 k( 83) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0024876 k( 84) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0024876 k( 85) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024876 k( 86) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0024876 k( 87) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0024876 k( 88) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0024876 k( 89) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0024876 k( 90) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0024876 k( 91) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0024876 k( 92) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024876 k( 93) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0024876 k( 94) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0024876 k( 95) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0024876 k( 96) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0024876 k( 97) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0024876 k( 98) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0024876 k( 99) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 101) = ( 0.0176507 0.4864007 0.5000000), wk = 0.0024876 k( 102) = ( 0.0353014 0.4728014 0.5000000), wk = 0.0024876 k( 103) = ( 0.0529521 0.4592021 0.5000000), wk = 0.0024876 k( 104) = ( 0.0706028 0.4456028 0.5000000), wk = 0.0024876 k( 105) = ( 0.0882535 0.4320035 0.5000000), wk = 0.0024876 k( 106) = ( 0.1059042 0.4184042 0.5000000), wk = 0.0024876 k( 107) = ( 0.1235548 0.4048049 0.5000000), wk = 0.0024876 k( 108) = ( 0.1412056 0.3912056 0.5000000), wk = 0.0024876 k( 109) = ( 0.1588562 0.3776062 0.5000000), wk = 0.0024876 k( 110) = ( 0.1765069 0.3640069 0.5000000), wk = 0.0024876 k( 111) = ( 0.1941576 0.3504076 0.5000000), wk = 0.0024876 k( 112) = ( 0.2118083 0.3368083 0.5000000), wk = 0.0024876 k( 113) = ( 0.2294590 0.3232090 0.5000000), wk = 0.0024876 k( 114) = ( 0.2471097 0.3096097 0.5000000), wk = 0.0024876 k( 115) = ( 0.2647604 0.2960104 0.5000000), wk = 0.0024876 k( 116) = ( 0.2824111 0.2824111 0.5000000), wk = 0.0024876 k( 117) = ( 0.2824111 0.2824111 0.5000000), wk = 0.0024876 k( 118) = ( 0.2761353 0.2761353 0.5000000), wk = 0.0024876 k( 119) = ( 0.2698595 0.2698595 0.5000000), wk = 0.0024876 k( 120) = ( 0.2635837 0.2635837 0.5000000), wk = 0.0024876 k( 121) = ( 0.2573079 0.2573079 0.5000000), wk = 0.0024876 k( 122) = ( 0.2510321 0.2510321 0.5000000), wk = 0.0024876 k( 123) = ( 0.2447563 0.2447563 0.5000000), wk = 0.0024876 k( 124) = ( 0.2384805 0.2384805 0.5000000), wk = 0.0024876 k( 125) = ( 0.2322047 0.2322047 0.5000000), wk = 0.0024876 k( 126) = ( 0.2259289 0.2259289 0.5000000), wk = 0.0024876 k( 127) = ( 0.2196531 0.2196531 0.5000000), wk = 0.0024876 k( 128) = ( 0.2133773 0.2133773 0.5000000), wk = 0.0024876 k( 129) = ( 0.2071015 0.2071015 0.5000000), wk = 0.0024876 k( 130) = ( 0.2008257 0.2008257 0.5000000), wk = 0.0024876 k( 131) = ( 0.1945499 0.1945499 0.5000000), wk = 0.0024876 k( 132) = ( 0.1882741 0.1882741 0.5000000), wk = 0.0024876 k( 133) = ( 0.1819983 0.1819983 0.5000000), wk = 0.0024876 k( 134) = ( 0.1757225 0.1757225 0.5000000), wk = 0.0024876 k( 135) = ( 0.1694467 0.1694467 0.5000000), wk = 0.0024876 k( 136) = ( 0.1631709 0.1631709 0.5000000), wk = 0.0024876 k( 137) = ( 0.1568951 0.1568951 0.5000000), wk = 0.0024876 k( 138) = ( 0.1506193 0.1506192 0.5000000), wk = 0.0024876 k( 139) = ( 0.1443435 0.1443435 0.5000000), wk = 0.0024876 k( 140) = ( 0.1380676 0.1380676 0.5000000), wk = 0.0024876 k( 141) = ( 0.1317918 0.1317918 0.5000000), wk = 0.0024876 k( 142) = ( 0.1255160 0.1255160 0.5000000), wk = 0.0024876 k( 143) = ( 0.1192402 0.1192402 0.5000000), wk = 0.0024876 k( 144) = ( 0.1129644 0.1129644 0.5000000), wk = 0.0024876 k( 145) = ( 0.1066886 0.1066886 0.5000000), wk = 0.0024876 k( 146) = ( 0.1004128 0.1004128 0.5000000), wk = 0.0024876 k( 147) = ( 0.0941370 0.0941370 0.5000000), wk = 0.0024876 k( 148) = ( 0.0878612 0.0878612 0.5000000), wk = 0.0024876 k( 149) = ( 0.0815854 0.0815854 0.5000000), wk = 0.0024876 k( 150) = ( 0.0753096 0.0753096 0.5000000), wk = 0.0024876 k( 151) = ( 0.0690338 0.0690338 0.5000000), wk = 0.0024876 k( 152) = ( 0.0627580 0.0627580 0.5000000), wk = 0.0024876 k( 153) = ( 0.0564822 0.0564822 0.5000000), wk = 0.0024876 k( 154) = ( 0.0502064 0.0502064 0.5000000), wk = 0.0024876 k( 155) = ( 0.0439306 0.0439306 0.5000000), wk = 0.0024876 k( 156) = ( 0.0376548 0.0376548 0.5000000), wk = 0.0024876 k( 157) = ( 0.0313790 0.0313790 0.5000000), wk = 0.0024876 k( 158) = ( 0.0251032 0.0251032 0.5000000), wk = 0.0024876 k( 159) = ( 0.0188274 0.0188274 0.5000000), wk = 0.0024876 k( 160) = ( 0.0125516 0.0125516 0.5000000), wk = 0.0024876 k( 161) = ( 0.0062758 0.0062758 0.5000000), wk = 0.0024876 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0024876 k( 166) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024876 k( 169) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0024876 k( 170) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024876 k( 171) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024876 k( 174) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0024876 k( 175) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0024876 k( 176) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0024876 k( 177) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024876 k( 178) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024876 k( 179) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 200) = ( -0.0172414 0.0172414 0.0000000), wk = 0.0024876 k( 201) = ( -0.0344828 0.0344828 0.0000000), wk = 0.0024876 k( 202) = ( -0.0517241 0.0517241 -0.0000000), wk = 0.0024876 k( 203) = ( -0.0689655 0.0689655 0.0000000), wk = 0.0024876 k( 204) = ( -0.0862069 0.0862069 -0.0000000), wk = 0.0024876 k( 205) = ( -0.1034483 0.1034483 -0.0000000), wk = 0.0024876 k( 206) = ( -0.1206897 0.1206897 -0.0000000), wk = 0.0024876 k( 207) = ( -0.1379310 0.1379310 -0.0000000), wk = 0.0024876 k( 208) = ( -0.1551724 0.1551724 0.0000000), wk = 0.0024876 k( 209) = ( -0.1724138 0.1724138 0.0000000), wk = 0.0024876 k( 210) = ( -0.1896552 0.1896552 0.0000000), wk = 0.0024876 k( 211) = ( -0.2068966 0.2068966 -0.0000000), wk = 0.0024876 k( 212) = ( -0.2241379 0.2241379 -0.0000000), wk = 0.0024876 k( 213) = ( -0.2413793 0.2413793 0.0000000), wk = 0.0024876 k( 214) = ( -0.2586207 0.2586207 -0.0000000), wk = 0.0024876 k( 215) = ( -0.2758621 0.2758621 0.0000000), wk = 0.0024876 k( 216) = ( -0.2931034 0.2931034 0.0000000), wk = 0.0024876 k( 217) = ( -0.3103448 0.3103448 0.0000000), wk = 0.0024876 k( 218) = ( -0.3275862 0.3275862 0.0000000), wk = 0.0024876 k( 219) = ( -0.3448276 0.3448276 0.0000000), wk = 0.0024876 k( 220) = ( -0.3620690 0.3620690 -0.0000000), wk = 0.0024876 k( 221) = ( -0.3793103 0.3793103 0.0000000), wk = 0.0024876 k( 222) = ( -0.3965517 0.3965517 -0.0000000), wk = 0.0024876 k( 223) = ( -0.4137931 0.4137931 -0.0000000), wk = 0.0024876 k( 224) = ( -0.4310345 0.4310345 0.0000000), wk = 0.0024876 k( 225) = ( -0.4482759 0.4482759 -0.0000000), wk = 0.0024876 k( 226) = ( -0.4655172 0.4655172 -0.0000000), wk = 0.0024876 k( 227) = ( -0.4827586 0.4827586 0.0000000), wk = 0.0024876 k( 228) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 229) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 230) = ( -0.4937832 0.5062168 -0.0000000), wk = 0.0024876 k( 231) = ( -0.4875663 0.5124336 -0.0000000), wk = 0.0024876 k( 232) = ( -0.4813495 0.5186505 -0.0000000), wk = 0.0024876 k( 233) = ( -0.4751327 0.5248673 0.0000000), wk = 0.0024876 k( 234) = ( -0.4689159 0.5310841 0.0000000), wk = 0.0024876 k( 235) = ( -0.4626990 0.5373010 0.0000000), wk = 0.0024876 k( 236) = ( -0.4564822 0.5435178 -0.0000000), wk = 0.0024876 k( 237) = ( -0.4502654 0.5497346 0.0000000), wk = 0.0024876 k( 238) = ( -0.4440486 0.5559514 -0.0000000), wk = 0.0024876 k( 239) = ( -0.4378317 0.5621683 0.0000000), wk = 0.0024876 k( 240) = ( -0.4316149 0.5683851 -0.0000000), wk = 0.0024876 k( 241) = ( -0.4253981 0.5746019 0.0000000), wk = 0.0024876 k( 242) = ( -0.4191813 0.5808187 -0.0000000), wk = 0.0024876 k( 243) = ( -0.4129644 0.5870356 0.0000000), wk = 0.0024876 k( 244) = ( -0.4067476 0.5932524 -0.0000000), wk = 0.0024876 k( 245) = ( -0.4005308 0.5994692 0.0000000), wk = 0.0024876 k( 246) = ( -0.3943140 0.6056860 0.0000000), wk = 0.0024876 k( 247) = ( -0.3880971 0.6119029 0.0000000), wk = 0.0024876 k( 248) = ( -0.3818803 0.6181197 -0.0000000), wk = 0.0024876 k( 249) = ( -0.3756635 0.6243365 0.0000000), wk = 0.0024876 k( 250) = ( -0.3694466 0.6305534 0.0000000), wk = 0.0024876 k( 251) = ( -0.3632298 0.6367702 0.0000000), wk = 0.0024876 k( 252) = ( -0.3570130 0.6429870 0.0000000), wk = 0.0024876 k( 253) = ( -0.3507962 0.6492038 0.0000000), wk = 0.0024876 k( 254) = ( -0.3445794 0.6554206 -0.0000000), wk = 0.0024876 k( 255) = ( -0.3383625 0.6616375 0.0000000), wk = 0.0024876 k( 256) = ( -0.3321457 0.6678543 0.0000000), wk = 0.0024876 k( 257) = ( -0.3259289 0.6740711 0.0000000), wk = 0.0024876 k( 258) = ( -0.3197121 0.6802880 0.0000000), wk = 0.0024876 k( 259) = ( -0.3134952 0.6865048 0.0000000), wk = 0.0024876 k( 260) = ( -0.3072784 0.6927216 0.0000000), wk = 0.0024876 k( 261) = ( -0.3010616 0.6989384 0.0000000), wk = 0.0024876 k( 262) = ( -0.2948447 0.7051553 0.0000000), wk = 0.0024876 k( 263) = ( -0.2886279 0.7113721 0.0000000), wk = 0.0024876 k( 264) = ( -0.2824111 0.7175889 0.0000000), wk = 0.0024876 k( 265) = ( -0.2824111 0.7175889 0.0000000), wk = 0.0024876 k( 266) = ( -0.2824111 0.7175889 0.0142857), wk = 0.0024876 k( 267) = ( -0.2824111 0.7175889 0.0285714), wk = 0.0024876 k( 268) = ( -0.2824111 0.7175889 0.0428571), wk = 0.0024876 k( 269) = ( -0.2824111 0.7175889 0.0571429), wk = 0.0024876 k( 270) = ( -0.2824111 0.7175889 0.0714286), wk = 0.0024876 k( 271) = ( -0.2824111 0.7175889 0.0857143), wk = 0.0024876 k( 272) = ( -0.2824111 0.7175889 0.1000000), wk = 0.0024876 k( 273) = ( -0.2824111 0.7175889 0.1142857), wk = 0.0024876 k( 274) = ( -0.2824111 0.7175889 0.1285714), wk = 0.0024876 k( 275) = ( -0.2824111 0.7175889 0.1428571), wk = 0.0024876 k( 276) = ( -0.2824111 0.7175889 0.1571429), wk = 0.0024876 k( 277) = ( -0.2824111 0.7175889 0.1714286), wk = 0.0024876 k( 278) = ( -0.2824111 0.7175889 0.1857143), wk = 0.0024876 k( 279) = ( -0.2824111 0.7175889 0.2000000), wk = 0.0024876 k( 280) = ( -0.2824111 0.7175889 0.2142857), wk = 0.0024876 k( 281) = ( -0.2824111 0.7175889 0.2285714), wk = 0.0024876 k( 282) = ( -0.2824111 0.7175889 0.2428571), wk = 0.0024876 k( 283) = ( -0.2824111 0.7175889 0.2571429), wk = 0.0024876 k( 284) = ( -0.2824111 0.7175889 0.2714286), wk = 0.0024876 k( 285) = ( -0.2824111 0.7175889 0.2857143), wk = 0.0024876 k( 286) = ( -0.2824111 0.7175889 0.3000000), wk = 0.0024876 k( 287) = ( -0.2824111 0.7175889 0.3142857), wk = 0.0024876 k( 288) = ( -0.2824111 0.7175889 0.3285714), wk = 0.0024876 k( 289) = ( -0.2824111 0.7175889 0.3428571), wk = 0.0024876 k( 290) = ( -0.2824111 0.7175889 0.3571429), wk = 0.0024876 k( 291) = ( -0.2824111 0.7175889 0.3714286), wk = 0.0024876 k( 292) = ( -0.2824111 0.7175889 0.3857143), wk = 0.0024876 k( 293) = ( -0.2824111 0.7175889 0.4000000), wk = 0.0024876 k( 294) = ( -0.2824111 0.7175889 0.4142857), wk = 0.0024876 k( 295) = ( -0.2824111 0.7175889 0.4285714), wk = 0.0024876 k( 296) = ( -0.2824111 0.7175889 0.4428571), wk = 0.0024876 k( 297) = ( -0.2824111 0.7175889 0.4571429), wk = 0.0024876 k( 298) = ( -0.2824111 0.7175889 0.4714286), wk = 0.0024876 k( 299) = ( -0.2824111 0.7175889 0.4857143), wk = 0.0024876 k( 300) = ( -0.2824111 0.7175889 0.5000000), wk = 0.0024876 k( 301) = ( -0.2824111 0.7175889 0.5000000), wk = 0.0024876 k( 302) = ( -0.2886279 0.7113721 0.5000000), wk = 0.0024876 k( 303) = ( -0.2948447 0.7051553 0.5000000), wk = 0.0024876 k( 304) = ( -0.3010616 0.6989384 0.5000000), wk = 0.0024876 k( 305) = ( -0.3072784 0.6927216 0.5000000), wk = 0.0024876 k( 306) = ( -0.3134952 0.6865048 0.5000000), wk = 0.0024876 k( 307) = ( -0.3197121 0.6802880 0.5000000), wk = 0.0024876 k( 308) = ( -0.3259289 0.6740711 0.5000000), wk = 0.0024876 k( 309) = ( -0.3321457 0.6678543 0.5000000), wk = 0.0024876 k( 310) = ( -0.3383625 0.6616375 0.5000000), wk = 0.0024876 k( 311) = ( -0.3445794 0.6554206 0.5000000), wk = 0.0024876 k( 312) = ( -0.3507962 0.6492038 0.5000000), wk = 0.0024876 k( 313) = ( -0.3570130 0.6429870 0.5000000), wk = 0.0024876 k( 314) = ( -0.3632298 0.6367702 0.5000000), wk = 0.0024876 k( 315) = ( -0.3694466 0.6305534 0.5000000), wk = 0.0024876 k( 316) = ( -0.3756635 0.6243365 0.5000000), wk = 0.0024876 k( 317) = ( -0.3818803 0.6181197 0.5000000), wk = 0.0024876 k( 318) = ( -0.3880971 0.6119029 0.5000000), wk = 0.0024876 k( 319) = ( -0.3943140 0.6056860 0.5000000), wk = 0.0024876 k( 320) = ( -0.4005308 0.5994692 0.5000000), wk = 0.0024876 k( 321) = ( -0.4067476 0.5932524 0.5000000), wk = 0.0024876 k( 322) = ( -0.4129644 0.5870356 0.5000000), wk = 0.0024876 k( 323) = ( -0.4191813 0.5808187 0.5000000), wk = 0.0024876 k( 324) = ( -0.4253981 0.5746019 0.5000000), wk = 0.0024876 k( 325) = ( -0.4316149 0.5683851 0.5000000), wk = 0.0024876 k( 326) = ( -0.4378317 0.5621683 0.5000000), wk = 0.0024876 k( 327) = ( -0.4440486 0.5559514 0.5000000), wk = 0.0024876 k( 328) = ( -0.4502654 0.5497346 0.5000000), wk = 0.0024876 k( 329) = ( -0.4564822 0.5435178 0.5000000), wk = 0.0024876 k( 330) = ( -0.4626990 0.5373010 0.5000000), wk = 0.0024876 k( 331) = ( -0.4689159 0.5310841 0.5000000), wk = 0.0024876 k( 332) = ( -0.4751327 0.5248673 0.5000000), wk = 0.0024876 k( 333) = ( -0.4813495 0.5186505 0.5000000), wk = 0.0024876 k( 334) = ( -0.4875663 0.5124336 0.5000000), wk = 0.0024876 k( 335) = ( -0.4937832 0.5062168 0.5000000), wk = 0.0024876 k( 336) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 337) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 338) = ( -0.5000000 0.5000000 0.4857143), wk = 0.0024876 k( 339) = ( -0.5000000 0.5000000 0.4714286), wk = 0.0024876 k( 340) = ( -0.5000000 0.5000000 0.4571429), wk = 0.0024876 k( 341) = ( -0.5000000 0.5000000 0.4428571), wk = 0.0024876 k( 342) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0024876 k( 343) = ( -0.5000000 0.5000000 0.4142857), wk = 0.0024876 k( 344) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0024876 k( 345) = ( -0.5000000 0.5000000 0.3857143), wk = 0.0024876 k( 346) = ( -0.5000000 0.5000000 0.3714286), wk = 0.0024876 k( 347) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0024876 k( 348) = ( -0.5000000 0.5000000 0.3428571), wk = 0.0024876 k( 349) = ( -0.5000000 0.5000000 0.3285714), wk = 0.0024876 k( 350) = ( -0.5000000 0.5000000 0.3142857), wk = 0.0024876 k( 351) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0024876 k( 352) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0024876 k( 353) = ( -0.5000000 0.5000000 0.2714286), wk = 0.0024876 k( 354) = ( -0.5000000 0.5000000 0.2571429), wk = 0.0024876 k( 355) = ( -0.5000000 0.5000000 0.2428571), wk = 0.0024876 k( 356) = ( -0.5000000 0.5000000 0.2285714), wk = 0.0024876 k( 357) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0024876 k( 358) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0024876 k( 359) = ( -0.5000000 0.5000000 0.1857143), wk = 0.0024876 k( 360) = ( -0.5000000 0.5000000 0.1714286), wk = 0.0024876 k( 361) = ( -0.5000000 0.5000000 0.1571429), wk = 0.0024876 k( 362) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0024876 k( 363) = ( -0.5000000 0.5000000 0.1285714), wk = 0.0024876 k( 364) = ( -0.5000000 0.5000000 0.1142857), wk = 0.0024876 k( 365) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0024876 k( 366) = ( -0.5000000 0.5000000 0.0857143), wk = 0.0024876 k( 367) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0024876 k( 368) = ( -0.5000000 0.5000000 0.0571429), wk = 0.0024876 k( 369) = ( -0.5000000 0.5000000 0.0428571), wk = 0.0024876 k( 370) = ( -0.5000000 0.5000000 0.0285714), wk = 0.0024876 k( 371) = ( -0.5000000 0.5000000 0.0142857), wk = 0.0024876 k( 372) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 373) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 374) = ( -0.0172414 0.0172414 0.5000000), wk = 0.0024876 k( 375) = ( -0.0344828 0.0344828 0.5000000), wk = 0.0024876 k( 376) = ( -0.0517241 0.0517241 0.5000000), wk = 0.0024876 k( 377) = ( -0.0689655 0.0689655 0.5000000), wk = 0.0024876 k( 378) = ( -0.0862069 0.0862069 0.5000000), wk = 0.0024876 k( 379) = ( -0.1034483 0.1034483 0.5000000), wk = 0.0024876 k( 380) = ( -0.1206897 0.1206897 0.5000000), wk = 0.0024876 k( 381) = ( -0.1379310 0.1379310 0.5000000), wk = 0.0024876 k( 382) = ( -0.1551724 0.1551724 0.5000000), wk = 0.0024876 k( 383) = ( -0.1724138 0.1724138 0.5000000), wk = 0.0024876 k( 384) = ( -0.1896552 0.1896552 0.5000000), wk = 0.0024876 k( 385) = ( -0.2068966 0.2068966 0.5000000), wk = 0.0024876 k( 386) = ( -0.2241379 0.2241379 0.5000000), wk = 0.0024876 k( 387) = ( -0.2413793 0.2413793 0.5000000), wk = 0.0024876 k( 388) = ( -0.2586207 0.2586207 0.5000000), wk = 0.0024876 k( 389) = ( -0.2758621 0.2758621 0.5000000), wk = 0.0024876 k( 390) = ( -0.2931034 0.2931034 0.5000000), wk = 0.0024876 k( 391) = ( -0.3103448 0.3103448 0.5000000), wk = 0.0024876 k( 392) = ( -0.3275862 0.3275862 0.5000000), wk = 0.0024876 k( 393) = ( -0.3448276 0.3448276 0.5000000), wk = 0.0024876 k( 394) = ( -0.3620690 0.3620690 0.5000000), wk = 0.0024876 k( 395) = ( -0.3793103 0.3793103 0.5000000), wk = 0.0024876 k( 396) = ( -0.3965517 0.3965517 0.5000000), wk = 0.0024876 k( 397) = ( -0.4137931 0.4137931 0.5000000), wk = 0.0024876 k( 398) = ( -0.4310345 0.4310345 0.5000000), wk = 0.0024876 k( 399) = ( -0.4482759 0.4482759 0.5000000), wk = 0.0024876 k( 400) = ( -0.4655172 0.4655172 0.5000000), wk = 0.0024876 k( 401) = ( -0.4827586 0.4827586 0.5000000), wk = 0.0024876 k( 402) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 Dense grid: 102641 G-vectors FFT dimensions: ( 75, 75, 60) Smooth grid: 32197 G-vectors FFT dimensions: ( 50, 50, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 184, 34) NL pseudopotentials 0.18 Mb ( 92, 128) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2140) G-vector shells 0.01 Mb ( 1098) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 184, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.13 Mb ( 128, 2, 34) The potential is recalculated from file : ./LaPt.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.8 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 47.5 secs Computing kpt #: 4 total cpu time spent up to now is 49.4 secs Computing kpt #: 5 total cpu time spent up to now is 51.3 secs Computing kpt #: 6 total cpu time spent up to now is 53.2 secs Computing kpt #: 7 total cpu time spent up to now is 55.1 secs Computing kpt #: 8 total cpu time spent up to now is 57.0 secs Computing kpt #: 9 total cpu time spent up to now is 59.1 secs Computing kpt #: 10 total cpu time spent up to now is 61.7 secs Computing kpt #: 11 total cpu time spent up to now is 64.2 secs Computing kpt #: 12 total cpu time spent up to now is 66.3 secs Computing kpt #: 13 total cpu time spent up to now is 68.3 secs Computing kpt #: 14 total cpu time spent up to now is 70.1 secs Computing kpt #: 15 total cpu time spent up to now is 71.8 secs Computing kpt #: 16 total cpu time spent up to now is 73.5 secs Computing kpt #: 17 total cpu time spent up to now is 75.4 secs Computing kpt #: 18 total cpu time spent up to now is 77.1 secs Computing kpt #: 19 total cpu time spent up to now is 78.8 secs Computing kpt #: 20 total cpu time spent up to now is 80.5 secs Computing kpt #: 21 total cpu time spent up to now is 82.3 secs Computing kpt #: 22 total cpu time spent up to now is 84.0 secs Computing kpt #: 23 total cpu time spent up to now is 85.8 secs Computing kpt #: 24 total cpu time spent up to now is 87.8 secs Computing kpt #: 25 total cpu time spent up to now is 89.8 secs Computing kpt #: 26 total cpu time spent up to now is 91.7 secs Computing kpt #: 27 total cpu time spent up to now is 93.8 secs Computing kpt #: 28 total cpu time spent up to now is 95.9 secs Computing kpt #: 29 total cpu time spent up to now is 98.0 secs Computing kpt #: 30 total cpu time spent up to now is 100.0 secs Computing kpt #: 31 total cpu time spent up to now is 102.0 secs Computing kpt #: 32 total cpu time spent up to now is 103.9 secs Computing kpt #: 33 total cpu time spent up to now is 105.9 secs Computing kpt #: 34 total cpu time spent up to now is 108.2 secs Computing kpt #: 35 total cpu time spent up to now is 110.2 secs Computing kpt #: 36 total cpu time spent up to now is 112.2 secs Computing kpt #: 37 total cpu time spent up to now is 114.5 secs Computing kpt #: 38 total cpu time spent up to now is 116.6 secs Computing kpt #: 39 total cpu time spent up to now is 118.6 secs Computing kpt #: 40 total cpu time spent up to now is 120.6 secs Computing kpt #: 41 total cpu time spent up to now is 122.8 secs Computing kpt #: 42 total cpu time spent up to now is 125.0 secs Computing kpt #: 43 total cpu time spent up to now is 127.2 secs Computing kpt #: 44 total cpu time spent up to now is 129.6 secs Computing kpt #: 45 total cpu time spent up to now is 131.8 secs Computing kpt #: 46 total cpu time spent up to now is 133.7 secs Computing kpt #: 47 total cpu time spent up to now is 135.5 secs Computing kpt #: 48 total cpu time spent up to now is 137.3 secs Computing kpt #: 49 total cpu time spent up to now is 139.0 secs Computing kpt #: 50 total cpu time spent up to now is 140.8 secs Computing kpt #: 51 total cpu time spent up to now is 142.5 secs Computing kpt #: 52 total cpu time spent up to now is 144.2 secs Computing kpt #: 53 total cpu time spent up to now is 145.8 secs Computing kpt #: 54 total cpu time spent up to now is 147.5 secs Computing kpt #: 55 total cpu time spent up to now is 149.2 secs Computing kpt #: 56 total cpu time spent up to now is 151.2 secs Computing kpt #: 57 total cpu time spent up to now is 152.9 secs Computing kpt #: 58 total cpu time spent up to now is 154.5 secs Computing kpt #: 59 total cpu time spent up to now is 156.0 secs Computing kpt #: 60 total cpu time spent up to now is 157.5 secs Computing kpt #: 61 total cpu time spent up to now is 159.1 secs Computing kpt #: 62 total cpu time spent up to now is 160.7 secs Computing kpt #: 63 total cpu time spent up to now is 162.2 secs Computing kpt #: 64 total cpu time spent up to now is 163.8 secs Computing kpt #: 65 total cpu time spent up to now is 165.4 secs Computing kpt #: 66 total cpu time spent up to now is 166.9 secs Computing kpt #: 67 total cpu time spent up to now is 168.4 secs Computing kpt #: 68 total cpu time spent up to now is 170.2 secs Computing kpt #: 69 total cpu time spent up to now is 171.9 secs Computing kpt #: 70 total cpu time spent up to now is 173.5 secs Computing kpt #: 71 total cpu time spent up to now is 175.5 secs Computing kpt #: 72 total cpu time spent up to now is 177.0 secs Computing kpt #: 73 total cpu time spent up to now is 178.6 secs Computing kpt #: 74 total cpu time spent up to now is 180.3 secs Computing kpt #: 75 total cpu time spent up to now is 181.8 secs Computing kpt #: 76 total cpu time spent up to now is 183.4 secs Computing kpt #: 77 total cpu time spent up to now is 185.1 secs Computing kpt #: 78 total cpu time spent up to now is 186.8 secs Computing kpt #: 79 total cpu time spent up to now is 188.5 secs Computing kpt #: 80 total cpu time spent up to now is 190.2 secs Computing kpt #: 81 total cpu time spent up to now is 192.0 secs Computing kpt #: 82 total cpu time spent up to now is 193.8 secs Computing kpt #: 83 total cpu time spent up to now is 195.5 secs Computing kpt #: 84 total cpu time spent up to now is 197.3 secs Computing kpt #: 85 total cpu time spent up to now is 199.2 secs Computing kpt #: 86 total cpu time spent up to now is 201.1 secs Computing kpt #: 87 total cpu time spent up to now is 202.9 secs Computing kpt #: 88 total cpu time spent up to now is 204.7 secs Computing kpt #: 89 total cpu time spent up to now is 206.6 secs Computing kpt #: 90 total cpu time spent up to now is 208.4 secs Computing kpt #: 91 total cpu time spent up to now is 210.2 secs Computing kpt #: 92 total cpu time spent up to now is 212.5 secs Computing kpt #: 93 total cpu time spent up to now is 214.4 secs Computing kpt #: 94 total cpu time spent up to now is 216.3 secs Computing kpt #: 95 total cpu time spent up to now is 218.6 secs Computing kpt #: 96 total cpu time spent up to now is 220.7 secs Computing kpt #: 97 total cpu time spent up to now is 222.8 secs Computing kpt #: 98 total cpu time spent up to now is 224.9 secs Computing kpt #: 99 total cpu time spent up to now is 227.0 secs Computing kpt #: 100 total cpu time spent up to now is 229.1 secs Computing kpt #: 101 total cpu time spent up to now is 231.5 secs Computing kpt #: 102 total cpu time spent up to now is 233.6 secs Computing kpt #: 103 total cpu time spent up to now is 235.8 secs Computing kpt #: 104 total cpu time spent up to now is 237.9 secs Computing kpt #: 105 total cpu time spent up to now is 240.2 secs Computing kpt #: 106 total cpu time spent up to now is 242.2 secs Computing kpt #: 107 total cpu time spent up to now is 244.4 secs Computing kpt #: 108 total cpu time spent up to now is 246.4 secs Computing kpt #: 109 total cpu time spent up to now is 248.3 secs Computing kpt #: 110 total cpu time spent up to now is 250.6 secs Computing kpt #: 111 total cpu time spent up to now is 252.6 secs Computing kpt #: 112 total cpu time spent up to now is 254.5 secs Computing kpt #: 113 total cpu time spent up to now is 256.7 secs Computing kpt #: 114 total cpu time spent up to now is 258.6 secs Computing kpt #: 115 total cpu time spent up to now is 260.4 secs Computing kpt #: 116 total cpu time spent up to now is 262.2 secs Computing kpt #: 117 total cpu time spent up to now is 264.1 secs Computing kpt #: 118 total cpu time spent up to now is 265.9 secs Computing kpt #: 119 total cpu time spent up to now is 267.9 secs Computing kpt #: 120 total cpu time spent up to now is 269.7 secs Computing kpt #: 121 total cpu time spent up to now is 271.5 secs Computing kpt #: 122 total cpu time spent up to now is 273.7 secs Computing kpt #: 123 total cpu time spent up to now is 275.5 secs Computing kpt #: 124 total cpu time spent up to now is 277.4 secs Computing kpt #: 125 total cpu time spent up to now is 279.5 secs Computing kpt #: 126 total cpu time spent up to now is 281.5 secs Computing kpt #: 127 total cpu time spent up to now is 283.4 secs Computing kpt #: 128 total cpu time spent up to now is 285.6 secs Computing kpt #: 129 total cpu time spent up to now is 287.6 secs Computing kpt #: 130 total cpu time spent up to now is 289.8 secs Computing kpt #: 131 total cpu time spent up to now is 291.9 secs Computing kpt #: 132 total cpu time spent up to now is 294.3 secs Computing kpt #: 133 total cpu time spent up to now is 296.3 secs Computing kpt #: 134 total cpu time spent up to now is 298.4 secs Computing kpt #: 135 total cpu time spent up to now is 300.4 secs Computing kpt #: 136 total cpu time spent up to now is 303.4 secs Computing kpt #: 137 total cpu time spent up to now is 305.8 secs Computing kpt #: 138 total cpu time spent up to now is 308.2 secs Computing kpt #: 139 total cpu time spent up to now is 310.7 secs Computing kpt #: 140 total cpu time spent up to now is 313.4 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.2 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 319.0 secs Computing kpt #: 143 total cpu time spent up to now is 321.7 secs Computing kpt #: 144 total cpu time spent up to now is 324.5 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.0 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.8 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.1 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.9 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.7 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.6 secs Computing kpt #: 151 total cpu time spent up to now is 345.1 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.0 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.8 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 353.7 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.3 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.9 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 361.8 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 364.6 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.4 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.2 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 373.0 secs Computing kpt #: 162 total cpu time spent up to now is 374.9 secs Computing kpt #: 163 total cpu time spent up to now is 376.6 secs Computing kpt #: 164 total cpu time spent up to now is 379.0 secs Computing kpt #: 165 total cpu time spent up to now is 381.1 secs Computing kpt #: 166 total cpu time spent up to now is 383.6 secs Computing kpt #: 167 total cpu time spent up to now is 385.8 secs Computing kpt #: 168 total cpu time spent up to now is 387.7 secs Computing kpt #: 169 total cpu time spent up to now is 389.8 secs Computing kpt #: 170 total cpu time spent up to now is 392.0 secs Computing kpt #: 171 total cpu time spent up to now is 394.1 secs Computing kpt #: 172 total cpu time spent up to now is 396.4 secs Computing kpt #: 173 total cpu time spent up to now is 398.6 secs Computing kpt #: 174 total cpu time spent up to now is 400.8 secs Computing kpt #: 175 total cpu time spent up to now is 403.5 secs Computing kpt #: 176 total cpu time spent up to now is 406.0 secs Computing kpt #: 177 total cpu time spent up to now is 408.3 secs Computing kpt #: 178 total cpu time spent up to now is 411.1 secs Computing kpt #: 179 total cpu time spent up to now is 413.2 secs Computing kpt #: 180 total cpu time spent up to now is 415.3 secs Computing kpt #: 181 total cpu time spent up to now is 417.3 secs Computing kpt #: 182 total cpu time spent up to now is 419.3 secs Computing kpt #: 183 total cpu time spent up to now is 421.7 secs Computing kpt #: 184 total cpu time spent up to now is 423.7 secs Computing kpt #: 185 total cpu time spent up to now is 425.8 secs Computing kpt #: 186 total cpu time spent up to now is 428.1 secs Computing kpt #: 187 total cpu time spent up to now is 430.4 secs Computing kpt #: 188 total cpu time spent up to now is 432.5 secs Computing kpt #: 189 total cpu time spent up to now is 434.7 secs Computing kpt #: 190 total cpu time spent up to now is 437.2 secs Computing kpt #: 191 total cpu time spent up to now is 439.9 secs Computing kpt #: 192 total cpu time spent up to now is 442.7 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 445.7 secs Computing kpt #: 194 total cpu time spent up to now is 448.2 secs Computing kpt #: 195 total cpu time spent up to now is 450.4 secs Computing kpt #: 196 total cpu time spent up to now is 452.8 secs Computing kpt #: 197 total cpu time spent up to now is 454.8 secs Computing kpt #: 198 total cpu time spent up to now is 456.9 secs Computing kpt #: 199 total cpu time spent up to now is 458.9 secs Computing kpt #: 200 total cpu time spent up to now is 461.0 secs Computing kpt #: 201 total cpu time spent up to now is 463.1 secs Computing kpt #: 202 total cpu time spent up to now is 465.7 secs Computing kpt #: 203 total cpu time spent up to now is 467.8 secs Computing kpt #: 204 total cpu time spent up to now is 469.8 secs Computing kpt #: 205 total cpu time spent up to now is 472.0 secs Computing kpt #: 206 total cpu time spent up to now is 474.1 secs Computing kpt #: 207 total cpu time spent up to now is 476.4 secs Computing kpt #: 208 total cpu time spent up to now is 478.4 secs Computing kpt #: 209 total cpu time spent up to now is 480.3 secs Computing kpt #: 210 total cpu time spent up to now is 482.4 secs Computing kpt #: 211 total cpu time spent up to now is 484.5 secs Computing kpt #: 212 total cpu time spent up to now is 487.1 secs Computing kpt #: 213 total cpu time spent up to now is 489.2 secs Computing kpt #: 214 total cpu time spent up to now is 491.6 secs Computing kpt #: 215 total cpu time spent up to now is 493.9 secs Computing kpt #: 216 total cpu time spent up to now is 496.1 secs Computing kpt #: 217 total cpu time spent up to now is 498.2 secs Computing kpt #: 218 total cpu time spent up to now is 500.3 secs Computing kpt #: 219 total cpu time spent up to now is 502.3 secs Computing kpt #: 220 total cpu time spent up to now is 505.0 secs Computing kpt #: 221 total cpu time spent up to now is 506.9 secs Computing kpt #: 222 total cpu time spent up to now is 508.8 secs Computing kpt #: 223 total cpu time spent up to now is 510.7 secs Computing kpt #: 224 total cpu time spent up to now is 512.6 secs Computing kpt #: 225 total cpu time spent up to now is 514.7 secs Computing kpt #: 226 total cpu time spent up to now is 516.5 secs Computing kpt #: 227 total cpu time spent up to now is 518.3 secs Computing kpt #: 228 total cpu time spent up to now is 520.1 secs Computing kpt #: 229 total cpu time spent up to now is 522.5 secs Computing kpt #: 230 total cpu time spent up to now is 524.5 secs Computing kpt #: 231 total cpu time spent up to now is 526.7 secs Computing kpt #: 232 total cpu time spent up to now is 528.6 secs Computing kpt #: 233 total cpu time spent up to now is 530.4 secs Computing kpt #: 234 total cpu time spent up to now is 532.7 secs Computing kpt #: 235 total cpu time spent up to now is 534.6 secs Computing kpt #: 236 total cpu time spent up to now is 536.4 secs Computing kpt #: 237 total cpu time spent up to now is 538.3 secs Computing kpt #: 238 total cpu time spent up to now is 540.2 secs Computing kpt #: 239 total cpu time spent up to now is 542.1 secs Computing kpt #: 240 total cpu time spent up to now is 544.0 secs Computing kpt #: 241 total cpu time spent up to now is 545.9 secs Computing kpt #: 242 total cpu time spent up to now is 548.1 secs Computing kpt #: 243 total cpu time spent up to now is 550.1 secs Computing kpt #: 244 total cpu time spent up to now is 552.1 secs Computing kpt #: 245 total cpu time spent up to now is 554.2 secs Computing kpt #: 246 total cpu time spent up to now is 556.2 secs Computing kpt #: 247 total cpu time spent up to now is 558.3 secs Computing kpt #: 248 total cpu time spent up to now is 560.3 secs Computing kpt #: 249 total cpu time spent up to now is 562.3 secs Computing kpt #: 250 total cpu time spent up to now is 564.2 secs Computing kpt #: 251 total cpu time spent up to now is 566.2 secs Computing kpt #: 252 total cpu time spent up to now is 568.3 secs Computing kpt #: 253 total cpu time spent up to now is 570.1 secs Computing kpt #: 254 total cpu time spent up to now is 571.9 secs Computing kpt #: 255 total cpu time spent up to now is 573.9 secs Computing kpt #: 256 total cpu time spent up to now is 575.6 secs Computing kpt #: 257 total cpu time spent up to now is 577.3 secs Computing kpt #: 258 total cpu time spent up to now is 579.0 secs Computing kpt #: 259 total cpu time spent up to now is 580.7 secs Computing kpt #: 260 total cpu time spent up to now is 582.4 secs Computing kpt #: 261 total cpu time spent up to now is 584.2 secs Computing kpt #: 262 total cpu time spent up to now is 586.0 secs Computing kpt #: 263 total cpu time spent up to now is 587.7 secs Computing kpt #: 264 total cpu time spent up to now is 589.5 secs Computing kpt #: 265 total cpu time spent up to now is 591.3 secs Computing kpt #: 266 total cpu time spent up to now is 593.1 secs Computing kpt #: 267 total cpu time spent up to now is 594.8 secs Computing kpt #: 268 total cpu time spent up to now is 596.6 secs Computing kpt #: 269 total cpu time spent up to now is 598.5 secs Computing kpt #: 270 total cpu time spent up to now is 600.5 secs Computing kpt #: 271 total cpu time spent up to now is 602.4 secs Computing kpt #: 272 total cpu time spent up to now is 604.3 secs Computing kpt #: 273 total cpu time spent up to now is 606.4 secs Computing kpt #: 274 total cpu time spent up to now is 608.3 secs Computing kpt #: 275 total cpu time spent up to now is 610.0 secs Computing kpt #: 276 total cpu time spent up to now is 611.6 secs Computing kpt #: 277 total cpu time spent up to now is 613.9 secs Computing kpt #: 278 total cpu time spent up to now is 615.6 secs Computing kpt #: 279 total cpu time spent up to now is 617.3 secs Computing kpt #: 280 total cpu time spent up to now is 619.2 secs Computing kpt #: 281 total cpu time spent up to now is 620.7 secs Computing kpt #: 282 total cpu time spent up to now is 622.3 secs Computing kpt #: 283 total cpu time spent up to now is 623.9 secs Computing kpt #: 284 total cpu time spent up to now is 625.4 secs Computing kpt #: 285 total cpu time spent up to now is 627.1 secs Computing kpt #: 286 total cpu time spent up to now is 628.9 secs Computing kpt #: 287 total cpu time spent up to now is 630.7 secs Computing kpt #: 288 total cpu time spent up to now is 632.4 secs Computing kpt #: 289 total cpu time spent up to now is 634.1 secs Computing kpt #: 290 total cpu time spent up to now is 636.2 secs Computing kpt #: 291 total cpu time spent up to now is 638.2 secs Computing kpt #: 292 total cpu time spent up to now is 640.3 secs Computing kpt #: 293 total cpu time spent up to now is 642.2 secs Computing kpt #: 294 total cpu time spent up to now is 644.4 secs Computing kpt #: 295 total cpu time spent up to now is 646.5 secs Computing kpt #: 296 total cpu time spent up to now is 648.5 secs Computing kpt #: 297 total cpu time spent up to now is 650.4 secs Computing kpt #: 298 total cpu time spent up to now is 652.5 secs Computing kpt #: 299 total cpu time spent up to now is 654.7 secs Computing kpt #: 300 total cpu time spent up to now is 656.7 secs Computing kpt #: 301 total cpu time spent up to now is 658.6 secs Computing kpt #: 302 total cpu time spent up to now is 660.4 secs Computing kpt #: 303 total cpu time spent up to now is 662.4 secs Computing kpt #: 304 total cpu time spent up to now is 664.5 secs Computing kpt #: 305 total cpu time spent up to now is 666.7 secs Computing kpt #: 306 total cpu time spent up to now is 668.5 secs Computing kpt #: 307 total cpu time spent up to now is 670.4 secs Computing kpt #: 308 total cpu time spent up to now is 672.2 secs Computing kpt #: 309 total cpu time spent up to now is 674.1 secs Computing kpt #: 310 total cpu time spent up to now is 676.5 secs Computing kpt #: 311 total cpu time spent up to now is 678.7 secs Computing kpt #: 312 total cpu time spent up to now is 680.7 secs Computing kpt #: 313 total cpu time spent up to now is 682.7 secs Computing kpt #: 314 total cpu time spent up to now is 684.8 secs Computing kpt #: 315 total cpu time spent up to now is 687.2 secs Computing kpt #: 316 total cpu time spent up to now is 689.4 secs Computing kpt #: 317 total cpu time spent up to now is 692.0 secs Computing kpt #: 318 total cpu time spent up to now is 694.6 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 697.4 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 700.4 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 703.2 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.0 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 708.8 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 711.7 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 714.5 secs Computing kpt #: 326 total cpu time spent up to now is 717.3 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 720.1 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 722.8 secs Computing kpt #: 329 total cpu time spent up to now is 725.3 secs Computing kpt #: 330 total cpu time spent up to now is 727.8 secs Computing kpt #: 331 total cpu time spent up to now is 730.2 secs Computing kpt #: 332 total cpu time spent up to now is 732.7 secs Computing kpt #: 333 total cpu time spent up to now is 735.1 secs Computing kpt #: 334 total cpu time spent up to now is 738.5 secs Computing kpt #: 335 total cpu time spent up to now is 741.5 secs Computing kpt #: 336 total cpu time spent up to now is 743.9 secs Computing kpt #: 337 total cpu time spent up to now is 746.2 secs Computing kpt #: 338 total cpu time spent up to now is 749.0 secs Computing kpt #: 339 total cpu time spent up to now is 751.9 secs Computing kpt #: 340 total cpu time spent up to now is 754.4 secs Computing kpt #: 341 total cpu time spent up to now is 756.8 secs Computing kpt #: 342 total cpu time spent up to now is 759.1 secs Computing kpt #: 343 total cpu time spent up to now is 761.4 secs Computing kpt #: 344 total cpu time spent up to now is 763.5 secs Computing kpt #: 345 total cpu time spent up to now is 765.5 secs Computing kpt #: 346 total cpu time spent up to now is 767.3 secs Computing kpt #: 347 total cpu time spent up to now is 769.4 secs Computing kpt #: 348 total cpu time spent up to now is 771.2 secs Computing kpt #: 349 total cpu time spent up to now is 772.9 secs Computing kpt #: 350 total cpu time spent up to now is 774.7 secs Computing kpt #: 351 total cpu time spent up to now is 776.7 secs Computing kpt #: 352 total cpu time spent up to now is 779.2 secs Computing kpt #: 353 total cpu time spent up to now is 780.9 secs Computing kpt #: 354 total cpu time spent up to now is 782.6 secs Computing kpt #: 355 total cpu time spent up to now is 785.1 secs Computing kpt #: 356 total cpu time spent up to now is 787.0 secs Computing kpt #: 357 total cpu time spent up to now is 788.9 secs Computing kpt #: 358 total cpu time spent up to now is 790.9 secs Computing kpt #: 359 total cpu time spent up to now is 793.6 secs Computing kpt #: 360 total cpu time spent up to now is 795.9 secs Computing kpt #: 361 total cpu time spent up to now is 798.2 secs Computing kpt #: 362 total cpu time spent up to now is 800.4 secs Computing kpt #: 363 total cpu time spent up to now is 802.6 secs Computing kpt #: 364 total cpu time spent up to now is 804.6 secs Computing kpt #: 365 total cpu time spent up to now is 806.5 secs Computing kpt #: 366 total cpu time spent up to now is 808.4 secs Computing kpt #: 367 total cpu time spent up to now is 810.4 secs Computing kpt #: 368 total cpu time spent up to now is 812.6 secs Computing kpt #: 369 total cpu time spent up to now is 814.5 secs Computing kpt #: 370 total cpu time spent up to now is 816.3 secs Computing kpt #: 371 total cpu time spent up to now is 818.0 secs Computing kpt #: 372 total cpu time spent up to now is 820.1 secs Computing kpt #: 373 total cpu time spent up to now is 821.9 secs Computing kpt #: 374 total cpu time spent up to now is 823.6 secs Computing kpt #: 375 total cpu time spent up to now is 825.3 secs Computing kpt #: 376 total cpu time spent up to now is 827.1 secs Computing kpt #: 377 total cpu time spent up to now is 829.2 secs Computing kpt #: 378 total cpu time spent up to now is 831.2 secs Computing kpt #: 379 total cpu time spent up to now is 833.0 secs Computing kpt #: 380 total cpu time spent up to now is 834.8 secs Computing kpt #: 381 total cpu time spent up to now is 836.6 secs Computing kpt #: 382 total cpu time spent up to now is 838.8 secs Computing kpt #: 383 total cpu time spent up to now is 840.7 secs Computing kpt #: 384 total cpu time spent up to now is 842.6 secs Computing kpt #: 385 total cpu time spent up to now is 844.5 secs Computing kpt #: 386 total cpu time spent up to now is 846.5 secs Computing kpt #: 387 total cpu time spent up to now is 848.5 secs Computing kpt #: 388 total cpu time spent up to now is 850.5 secs Computing kpt #: 389 total cpu time spent up to now is 852.5 secs Computing kpt #: 390 total cpu time spent up to now is 854.6 secs Computing kpt #: 391 total cpu time spent up to now is 856.6 secs Computing kpt #: 392 total cpu time spent up to now is 858.6 secs Computing kpt #: 393 total cpu time spent up to now is 860.8 secs Computing kpt #: 394 total cpu time spent up to now is 863.5 secs Computing kpt #: 395 total cpu time spent up to now is 865.6 secs Computing kpt #: 396 total cpu time spent up to now is 867.8 secs Computing kpt #: 397 total cpu time spent up to now is 870.2 secs Computing kpt #: 398 total cpu time spent up to now is 872.6 secs Computing kpt #: 399 total cpu time spent up to now is 875.1 secs Computing kpt #: 400 total cpu time spent up to now is 877.4 secs Computing kpt #: 401 total cpu time spent up to now is 879.9 secs Computing kpt #: 402 total cpu time spent up to now is 882.3 secs ethr = 3.85E-11, avg # of iterations = 65.4 total cpu time spent up to now is 882.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4021 PWs) bands (ev): 2.8614 2.8614 4.4269 4.4269 4.6339 4.6339 4.8122 4.8122 4.8903 4.8903 5.2634 5.2634 6.0630 6.0630 6.3827 6.3827 6.6604 6.6604 7.2588 7.2588 7.2993 7.2993 7.6031 7.6031 10.4494 10.4494 10.6304 10.6304 10.7787 10.7787 11.3887 11.3887 11.4476 11.4476 k = 0.0063 0.0174-0.0000 ( 4021 PWs) bands (ev): 2.8636 2.8636 4.4281 4.4281 4.6344 4.6344 4.8132 4.8132 4.8915 4.8915 5.2644 5.2644 6.0629 6.0629 6.3831 6.3831 6.6604 6.6604 7.2591 7.2591 7.2993 7.2993 7.6028 7.6028 10.4487 10.4487 10.6116 10.6116 10.7723 10.7723 11.3815 11.3815 11.4511 11.4511 k = 0.0126 0.0349-0.0000 ( 4033 PWs) bands (ev): 2.8701 2.8701 4.4316 4.4316 4.6356 4.6356 4.8163 4.8163 4.8951 4.8951 5.2673 5.2673 6.0625 6.0625 6.3844 6.3844 6.6603 6.6603 7.2601 7.2601 7.2994 7.2994 7.6019 7.6019 10.4442 10.4442 10.5628 10.5628 10.7513 10.7513 11.3646 11.3646 11.4710 11.4710 k = 0.0188 0.0523-0.0000 ( 4027 PWs) bands (ev): 2.8808 2.8808 4.4374 4.4374 4.6378 4.6378 4.8214 4.8214 4.9010 4.9010 5.2723 5.2723 6.0619 6.0619 6.3864 6.3864 6.6601 6.6601 7.2618 7.2618 7.2994 7.2994 7.6005 7.6005 10.4209 10.4209 10.5090 10.5090 10.7150 10.7150 11.3506 11.3506 11.5078 11.5078 k = 0.0251 0.0697-0.0000 ( 4027 PWs) bands (ev): 2.8959 2.8959 4.4453 4.4453 4.6409 4.6409 4.8285 4.8285 4.9091 4.9091 5.2791 5.2791 6.0611 6.0611 6.3893 6.3893 6.6599 6.6599 7.2640 7.2640 7.2996 7.2996 7.5985 7.5985 10.3490 10.3490 10.4877 10.4877 10.6667 10.6667 11.3442 11.3442 11.5564 11.5564 k = 0.0314 0.0871-0.0000 ( 4037 PWs) bands (ev): 2.9151 2.9151 4.4553 4.4553 4.6451 4.6451 4.8377 4.8377 4.9195 4.9195 5.2879 5.2879 6.0602 6.0602 6.3929 6.3929 6.6596 6.6596 7.2666 7.2666 7.3001 7.3001 7.5959 7.5959 10.2472 10.2472 10.4859 10.4859 10.6109 10.6109 11.3448 11.3448 11.6128 11.6128 k = 0.0377 0.1046-0.0000 ( 4041 PWs) bands (ev): 2.9384 2.9384 4.4669 4.4669 4.6504 4.6504 4.8490 4.8490 4.9319 4.9319 5.2987 5.2987 6.0591 6.0591 6.3974 6.3974 6.6591 6.6591 7.2694 7.2694 7.3010 7.3010 7.5929 7.5929 10.1337 10.1337 10.4871 10.4871 10.5532 10.5532 11.3509 11.3509 11.6739 11.6739 k = 0.0439 0.1220-0.0000 ( 4041 PWs) bands (ev): 2.9658 2.9658 4.4800 4.4800 4.6570 4.6570 4.8623 4.8623 4.9463 4.9463 5.3113 5.3113 6.0581 6.0581 6.4026 6.4026 6.6585 6.6585 7.2720 7.2720 7.3028 7.3028 7.5895 7.5895 10.0144 10.0144 10.4678 10.4678 10.5162 10.5162 11.3612 11.3612 11.7370 11.7370 k = 0.0502 0.1394-0.0000 ( 4045 PWs) bands (ev): 2.9970 2.9970 4.4942 4.4942 4.6652 4.6652 4.8777 4.8777 4.9624 4.9624 5.3259 5.3259 6.0570 6.0570 6.4086 6.4086 6.6578 6.6578 7.2738 7.2738 7.3060 7.3060 7.5857 7.5857 9.8922 9.8922 10.4105 10.4105 10.5179 10.5179 11.3749 11.3749 11.7974 11.7974 k = 0.0565 0.1569-0.0000 ( 4049 PWs) bands (ev): 3.0321 3.0321 4.5090 4.5090 4.6751 4.6751 4.8950 4.8950 4.9802 4.9802 5.3424 5.3424 6.0561 6.0561 6.4154 6.4154 6.6568 6.6568 7.2746 7.2746 7.3109 7.3109 7.5816 7.5816 9.7687 9.7687 10.3462 10.3462 10.5280 10.5280 11.3915 11.3915 11.8318 11.8318 k = 0.0628 0.1743-0.0000 ( 4041 PWs) bands (ev): 3.0707 3.0707 4.5242 4.5242 4.6870 4.6870 4.9141 4.9141 4.9995 4.9995 5.3608 5.3608 6.0553 6.0553 6.4229 6.4229 6.6556 6.6556 7.2742 7.2742 7.3175 7.3175 7.5773 7.5773 9.6453 9.6453 10.2812 10.2812 10.5408 10.5408 11.4104 11.4104 11.7628 11.7628 k = 0.0690 0.1917-0.0000 ( 4045 PWs) bands (ev): 3.1128 3.1128 4.5392 4.5392 4.7010 4.7010 4.9350 4.9350 5.0202 5.0202 5.3813 5.3813 6.0548 6.0548 6.4311 6.4311 6.6542 6.6542 7.2727 7.2727 7.3257 7.3257 7.5730 7.5730 9.5227 9.5227 10.2164 10.2164 10.5554 10.5554 11.4311 11.4311 11.6391 11.6391 k = 0.0753 0.2092-0.0000 ( 4041 PWs) bands (ev): 3.1582 3.1582 4.5539 4.5539 4.7170 4.7170 4.9575 4.9575 5.0422 5.0422 5.4039 5.4039 6.0546 6.0546 6.4401 6.4401 6.6524 6.6524 7.2704 7.2704 7.3351 7.3351 7.5687 7.5687 9.4016 9.4016 10.1524 10.1524 10.5714 10.5714 11.4516 11.4516 11.5081 11.5081 k = 0.0816 0.2266-0.0000 ( 4035 PWs) bands (ev): 3.2066 3.2066 4.5681 4.5681 4.7348 4.7348 4.9814 4.9814 5.0653 5.0653 5.4286 5.4286 6.0548 6.0548 6.4497 6.4497 6.6503 6.6503 7.2673 7.2673 7.3455 7.3455 7.5647 7.5647 9.2826 9.2826 10.0894 10.0894 10.5884 10.5884 11.3685 11.3685 11.4805 11.4805 k = 0.0879 0.2440-0.0000 ( 4033 PWs) bands (ev): 3.2578 3.2578 4.5819 4.5819 4.7541 4.7541 5.0065 5.0065 5.0897 5.0897 5.4557 5.4557 6.0556 6.0556 6.4601 6.4601 6.6478 6.6478 7.2637 7.2637 7.3564 7.3564 7.5613 7.5613 9.1661 9.1661 10.0275 10.0275 10.6059 10.6059 11.2357 11.2357 11.5047 11.5047 k = 0.0941 0.2614-0.0000 ( 4043 PWs) bands (ev): 3.3115 3.3115 4.5953 4.5953 4.7743 4.7743 5.0325 5.0325 5.1154 5.1154 5.4850 5.4850 6.0569 6.0569 6.4711 6.4711 6.6450 6.6450 7.2595 7.2595 7.3675 7.3675 7.5589 7.5589 9.0525 9.0525 9.9667 9.9667 10.6226 10.6226 11.1057 11.1057 11.5302 11.5302 k = 0.1004 0.2789-0.0000 ( 4055 PWs) bands (ev): 3.3674 3.3674 4.6085 4.6085 4.7948 4.7948 5.0591 5.0591 5.1425 5.1425 5.5166 5.5166 6.0591 6.0591 6.4828 6.4828 6.6419 6.6419 7.2548 7.2548 7.3781 7.3781 7.5579 7.5579 8.9423 8.9423 9.9070 9.9070 10.6349 10.6349 10.9833 10.9833 11.5557 11.5557 k = 0.1067 0.2963-0.0000 ( 4055 PWs) bands (ev): 3.4252 3.4252 4.6219 4.6219 4.8151 4.8151 5.0857 5.0857 5.1713 5.1713 5.5504 5.5504 6.0623 6.0623 6.4951 6.4951 6.6385 6.6385 7.2497 7.2497 7.3875 7.3875 7.5590 7.5590 8.8356 8.8356 9.8482 9.8482 10.6323 10.6323 10.8795 10.8795 11.5806 11.5806 k = 0.1130 0.3137-0.0000 ( 4055 PWs) bands (ev): 3.4846 3.4846 4.6354 4.6354 4.8346 4.8346 5.1120 5.1120 5.2022 5.2022 5.5861 5.5861 6.0667 6.0667 6.5081 6.5081 6.6351 6.6351 7.2443 7.2443 7.3948 7.3948 7.5629 7.5629 8.7329 8.7329 9.7903 9.7903 10.5904 10.5904 10.8195 10.8195 11.6040 11.6040 k = 0.1192 0.3312-0.0000 ( 4047 PWs) bands (ev): 3.5450 3.5450 4.6493 4.6493 4.8528 4.8528 5.1374 5.1374 5.2356 5.2356 5.6232 5.6232 6.0727 6.0727 6.5216 6.5216 6.6318 6.6318 7.2387 7.2387 7.3992 7.3992 7.5702 7.5702 8.6345 8.6345 9.7329 9.7329 10.5024 10.5024 10.8104 10.8104 11.6250 11.6250 k = 0.1255 0.3486-0.0000 ( 4055 PWs) bands (ev): 3.6061 3.6061 4.6637 4.6637 4.8694 4.8694 5.1616 5.1616 5.2716 5.2716 5.6611 5.6611 6.0807 6.0807 6.5356 6.5356 6.6290 6.6290 7.2328 7.2328 7.4002 7.4002 7.5810 7.5810 8.5406 8.5406 9.6758 9.6758 10.3943 10.3943 10.8266 10.8266 11.6425 11.6425 k = 0.1318 0.3660-0.0000 ( 4047 PWs) bands (ev): 3.6674 3.6674 4.6787 4.6787 4.8843 4.8843 5.1844 5.1844 5.3104 5.3104 5.6987 5.6987 6.0912 6.0912 6.5503 6.5503 6.6272 6.6272 7.2269 7.2269 7.3977 7.3977 7.5952 7.5952 8.4515 8.4515 9.6187 9.6187 10.2812 10.2812 10.8533 10.8533 11.6553 11.6553 k = 0.1381 0.3835-0.0000 ( 4037 PWs) bands (ev): 3.7285 3.7285 4.6944 4.6944 4.8972 4.8972 5.2055 5.2055 5.3521 5.3521 5.7348 5.7348 6.1048 6.1048 6.5655 6.5655 6.6269 6.6269 7.2210 7.2210 7.3918 7.3918 7.6121 7.6121 8.3677 8.3677 9.5614 9.5614 10.1686 10.1686 10.8855 10.8855 11.6620 11.6620 k = 0.1443 0.4009-0.0000 ( 4025 PWs) bands (ev): 3.7888 3.7888 4.7107 4.7107 4.9081 4.9081 5.2248 5.2248 5.3966 5.3966 5.7680 5.7680 6.1218 6.1218 6.5816 6.5816 6.6290 6.6290 7.2153 7.2153 7.3830 7.3830 7.6311 7.6311 8.2893 8.2893 9.5033 9.5033 10.0585 10.0585 10.9214 10.9214 11.6612 11.6612 k = 0.1506 0.4183-0.0000 ( 4029 PWs) bands (ev): 3.8478 3.8478 4.7277 4.7277 4.9172 4.9172 5.2425 5.2425 5.4436 5.4436 5.7970 5.7970 6.1422 6.1422 6.5989 6.5989 6.6339 6.6339 7.2099 7.2099 7.3714 7.3714 7.6514 7.6514 8.2167 8.2167 9.4443 9.4443 9.9520 9.9520 10.9602 10.9602 11.6518 11.6518 k = 0.1569 0.4357-0.0000 ( 4031 PWs) bands (ev): 3.9050 3.9050 4.7454 4.7454 4.9244 4.9244 5.2584 5.2584 5.4928 5.4928 5.8211 5.8211 6.1654 6.1654 6.6180 6.6180 6.6426 6.6426 7.2051 7.2051 7.3573 7.3573 7.6725 7.6725 8.1500 8.1500 9.3841 9.3841 9.8497 9.8497 11.0016 11.0016 11.6328 11.6328 k = 0.1632 0.4532-0.0000 ( 4027 PWs) bands (ev): 3.9599 3.9599 4.7637 4.7637 4.9301 4.9301 5.2725 5.2725 5.5439 5.5439 5.8401 5.8401 6.1901 6.1901 6.6386 6.6386 6.6565 6.6565 7.2012 7.2012 7.3409 7.3409 7.6938 7.6938 8.0897 8.0897 9.3224 9.3224 9.7520 9.7520 11.0453 11.0453 11.6037 11.6037 k = 0.1694 0.4706-0.0000 ( 4033 PWs) bands (ev): 4.0120 4.0120 4.7826 4.7826 4.9344 4.9344 5.2849 5.2849 5.5962 5.5962 5.8542 5.8542 6.2148 6.2148 6.6568 6.6568 6.6803 6.6803 7.1985 7.1985 7.3228 7.3228 7.7149 7.7149 8.0358 8.0358 9.2593 9.2593 9.6590 9.6590 11.0910 11.0910 11.5649 11.5649 k = 0.1757 0.4880-0.0000 ( 4033 PWs) bands (ev): 4.0608 4.0608 4.8020 4.8020 4.9374 4.9374 5.2956 5.2956 5.6486 5.6486 5.8642 5.8642 6.2386 6.2386 6.6724 6.6724 6.7140 6.7140 7.1975 7.1975 7.3034 7.3034 7.7353 7.7353 7.9886 7.9886 9.1949 9.1949 9.5707 9.5707 11.1384 11.1384 11.5169 11.5169 k = 0.1820 0.5055-0.0000 ( 4035 PWs) bands (ev): 4.1060 4.1060 4.8218 4.8218 4.9393 4.9393 5.3045 5.3045 5.6998 5.6998 5.8710 5.8710 6.2615 6.2615 6.6875 6.6875 6.7540 6.7540 7.1988 7.1988 7.2839 7.2839 7.7546 7.7546 7.9485 7.9485 9.1297 9.1297 9.4867 9.4867 11.1867 11.1867 11.4616 11.4616 k = 0.1883 0.5229-0.0000 ( 4027 PWs) bands (ev): 4.1473 4.1473 4.8420 4.8420 4.9404 4.9404 5.3117 5.3117 5.7474 5.7474 5.8759 5.8759 6.2848 6.2848 6.7024 6.7024 6.7965 6.7965 7.2033 7.2033 7.2659 7.2659 7.7718 7.7718 7.9165 7.9165 9.0643 9.0643 9.4068 9.4068 11.2331 11.2331 11.4029 11.4029 k = 0.1945 0.5403-0.0000 ( 4023 PWs) bands (ev): 4.1845 4.1845 4.8624 4.8624 4.9408 4.9408 5.3172 5.3172 5.7879 5.7879 5.8810 5.8810 6.3102 6.3102 6.7170 6.7170 6.8368 6.8368 7.2119 7.2119 7.2518 7.2518 7.7844 7.7844 7.8953 7.8953 8.9995 8.9995 9.3303 9.3303 11.2602 11.2602 11.3595 11.3595 k = 0.2008 0.5578-0.0000 ( 4031 PWs) bands (ev): 4.2174 4.2174 4.8828 4.8828 4.9406 4.9406 5.3211 5.3211 5.8159 5.8159 5.8901 5.8901 6.3399 6.3399 6.7310 6.7310 6.8688 6.8688 7.2251 7.2251 7.2455 7.2455 7.7879 7.7879 7.8902 7.8902 8.9361 8.9361 9.2569 9.2569 11.2223 11.2223 11.3784 11.3784 k = 0.2071 0.5752-0.0000 ( 4033 PWs) bands (ev): 4.2459 4.2459 4.9032 4.9032 4.9401 4.9401 5.3234 5.3234 5.8276 5.8276 5.9059 5.9059 6.3749 6.3749 6.7441 6.7441 6.8871 6.8871 7.2394 7.2394 7.2542 7.2542 7.7807 7.7807 7.9041 7.9041 8.8749 8.8749 9.1859 9.1859 11.1514 11.1514 11.4287 11.4287 k = 0.2134 0.5926-0.0000 ( 4029 PWs) bands (ev): 4.2701 4.2701 4.9234 4.9234 4.9393 4.9393 5.3241 5.3241 5.8272 5.8272 5.9239 5.9239 6.4152 6.4152 6.7561 6.7561 6.8893 6.8893 7.2545 7.2545 7.2786 7.2786 7.7676 7.7676 7.9339 7.9339 8.8168 8.8168 9.1173 9.1173 11.0730 11.0730 11.4859 11.4859 k = 0.2197 0.6100-0.0000 ( 4045 PWs) bands (ev): 4.2901 4.2901 4.9384 4.9384 4.9432 4.9432 5.3232 5.3232 5.8202 5.8202 5.9390 5.9390 6.4593 6.4593 6.7666 6.7666 6.8773 6.8773 7.2760 7.2760 7.3094 7.3094 7.7529 7.7529 7.9772 7.9772 8.7624 8.7624 9.0507 9.0507 10.9918 10.9918 11.5458 11.5458 k = 0.2259 0.6275-0.0000 ( 4040 PWs) bands (ev): 4.3060 4.3060 4.9374 4.9374 4.9625 4.9625 5.3209 5.3209 5.8093 5.8093 5.9500 5.9500 6.5047 6.5047 6.7751 6.7751 6.8557 6.8557 7.3002 7.3002 7.3454 7.3454 7.7382 7.7382 8.0338 8.0338 8.7126 8.7126 8.9862 8.9862 10.9098 10.9098 11.6068 11.6068 k = 0.2322 0.6449-0.0000 ( 4040 PWs) bands (ev): 4.3179 4.3179 4.9364 4.9364 4.9812 4.9812 5.3172 5.3172 5.7956 5.7956 5.9571 5.9571 6.5484 6.5484 6.7784 6.7784 6.8311 6.8311 7.3185 7.3185 7.3908 7.3908 7.7245 7.7245 8.1031 8.1031 8.6682 8.6682 8.9240 8.9240 10.8280 10.8280 11.6662 11.6662 k = 0.2385 0.6623-0.0000 ( 4042 PWs) bands (ev): 4.3262 4.3262 4.9355 4.9355 4.9991 4.9991 5.3121 5.3121 5.7799 5.7799 5.9612 5.9612 6.5875 6.5875 6.7647 6.7647 6.8188 6.8188 7.3263 7.3263 7.4478 7.4478 7.7127 7.7127 8.1832 8.1832 8.6307 8.6307 8.8644 8.8644 10.7471 10.7471 11.7166 11.7166 k = 0.2448 0.6798-0.0000 ( 4030 PWs) bands (ev): 4.3309 4.3309 4.9347 4.9347 5.0161 5.0161 5.3057 5.3057 5.7623 5.7623 5.9630 5.9630 6.6196 6.6196 6.7313 6.7313 6.8238 6.8238 7.3236 7.3236 7.5127 7.5127 7.7060 7.7060 8.2694 8.2694 8.6029 8.6029 8.8081 8.8081 10.6679 10.6679 11.7461 11.7461 k = 0.2510 0.6972-0.0000 ( 4036 PWs) bands (ev): 4.3325 4.3325 4.9340 4.9340 5.0319 5.0319 5.2981 5.2981 5.7434 5.7434 5.9629 5.9629 6.6424 6.6424 6.6910 6.6910 6.8360 6.8360 7.3117 7.3117 7.5732 7.5732 7.7152 7.7152 8.3513 8.3513 8.5920 8.5920 8.7572 8.7572 10.5909 10.5909 11.7614 11.7614 k = 0.2573 0.7146-0.0000 ( 4028 PWs) bands (ev): 4.3311 4.3311 4.9334 4.9334 5.0466 5.0466 5.2892 5.2892 5.7232 5.7232 5.9613 5.9613 6.6377 6.6377 6.6662 6.6662 6.8519 6.8519 7.2918 7.2918 7.6045 7.6045 7.7637 7.7637 8.4077 8.4077 8.6082 8.6082 8.7212 8.7212 10.5164 10.5164 11.7735 11.7735 k = 0.2636 0.7321-0.0000 ( 4028 PWs) bands (ev): 4.3270 4.3270 4.9329 4.9329 5.0600 5.0600 5.2792 5.2792 5.7020 5.7020 5.9585 5.9585 6.5931 6.5931 6.6713 6.6713 6.8699 6.8699 7.2655 7.2655 7.6069 7.6069 7.8493 7.8493 8.4274 8.4274 8.6147 8.6147 8.7475 8.7475 10.4451 10.4451 11.7860 11.7860 k = 0.2699 0.7495-0.0000 ( 4024 PWs) bands (ev): 4.3205 4.3205 4.9324 4.9324 5.0721 5.0721 5.2680 5.2680 5.6800 5.6800 5.9546 5.9546 6.5435 6.5435 6.6737 6.6737 6.8886 6.8886 7.2341 7.2341 7.5986 7.5986 7.9511 7.9511 8.4285 8.4285 8.5847 8.5847 8.8446 8.8446 10.3770 10.3770 11.7999 11.7999 k = 0.2761 0.7669-0.0000 ( 4020 PWs) bands (ev): 4.3117 4.3117 4.9321 4.9321 5.0827 5.0827 5.2556 5.2556 5.6573 5.6573 5.9497 5.9497 6.4918 6.4918 6.6722 6.6722 6.9062 6.9062 7.1992 7.1992 7.5868 7.5868 8.0575 8.0575 8.4273 8.4273 8.5510 8.5510 8.9655 8.9655 10.3127 10.3127 11.8154 11.8154 k = 0.2824 0.7843-0.0000 ( 4018 PWs) bands (ev): 4.3009 4.3009 4.9317 4.9317 5.0918 5.0918 5.2422 5.2422 5.6339 5.6339 5.9438 5.9438 6.4384 6.4384 6.6678 6.6678 6.9212 6.9212 7.1628 7.1628 7.5737 7.5737 8.1570 8.1570 8.4347 8.4347 8.5242 8.5242 9.0962 9.0962 10.2525 10.2525 11.8324 11.8324 k = 0.2824 0.7843-0.0000 ( 4018 PWs) bands (ev): 4.3009 4.3009 4.9317 4.9317 5.0918 5.0918 5.2422 5.2422 5.6339 5.6339 5.9438 5.9438 6.4384 6.4384 6.6678 6.6678 6.9212 6.9212 7.1628 7.1628 7.5737 7.5737 8.1570 8.1570 8.4347 8.4347 8.5242 8.5242 9.0962 9.0962 10.2525 10.2525 11.8324 11.8324 k = 0.2648 0.7843-0.0000 ( 4022 PWs) bands (ev): 4.3048 4.3048 4.9317 4.9317 5.0889 5.0889 5.2463 5.2463 5.6417 5.6417 5.9453 5.9453 6.4563 6.4563 6.6698 6.6698 6.9170 6.9170 7.1743 7.1743 7.5772 7.5772 8.1202 8.1202 8.4301 8.4301 8.5393 8.5393 9.0572 9.0572 10.2669 10.2669 11.8149 11.8149 k = 0.2471 0.7843-0.0000 ( 4030 PWs) bands (ev): 4.3091 4.3091 4.9313 4.9313 5.0859 5.0859 5.2496 5.2496 5.6500 5.6500 5.9456 5.9456 6.4749 6.4749 6.6723 6.6723 6.9128 6.9128 7.1853 7.1853 7.5788 7.5788 8.0718 8.0718 8.4275 8.4275 8.5661 8.5661 9.0270 9.0270 10.2728 10.2728 11.7764 11.7764 k = 0.2295 0.7843-0.0000 ( 4032 PWs) bands (ev): 4.3136 4.3136 4.9308 4.9308 5.0827 5.0827 5.2520 5.2520 5.6587 5.6587 5.9445 5.9445 6.4944 6.4944 6.6753 6.6753 6.9091 6.9091 7.1955 7.1955 7.5784 7.5784 8.0169 8.0169 8.4264 8.4264 8.5989 8.5989 9.0063 9.0063 10.2701 10.2701 11.7237 11.7237 k = 0.2118 0.7843-0.0000 ( 4036 PWs) bands (ev): 4.3184 4.3184 4.9300 4.9300 5.0795 5.0795 5.2536 5.2536 5.6678 5.6678 5.9419 5.9419 6.5145 6.5145 6.6790 6.6790 6.9060 6.9060 7.2049 7.2049 7.5762 7.5762 7.9590 7.9590 8.4265 8.4265 8.6336 8.6336 8.9957 8.9957 10.2594 10.2594 11.6634 11.6634 k = 0.1942 0.7843-0.0000 ( 4033 PWs) bands (ev): 4.3234 4.3234 4.9291 4.9291 5.0763 5.0763 5.2544 5.2544 5.6774 5.6774 5.9376 5.9376 6.5349 6.5349 6.6834 6.6834 6.9041 6.9041 7.2133 7.2133 7.5722 7.5722 7.9002 7.9002 8.4275 8.4275 8.6673 8.6673 8.9958 8.9958 10.2413 10.2413 11.6003 11.6003 k = 0.1765 0.7843-0.0000 ( 4029 PWs) bands (ev): 4.3285 4.3285 4.9280 4.9280 5.0732 5.0732 5.2544 5.2544 5.6874 5.6874 5.9318 5.9318 6.5551 6.5551 6.6887 6.6887 6.9039 6.9039 7.2203 7.2203 7.5665 7.5665 7.8421 7.8421 8.4291 8.4291 8.6978 8.6978 9.0069 9.0069 10.2166 10.2166 11.5373 11.5373 k = 0.1589 0.7843-0.0000 ( 4028 PWs) bands (ev): 4.3337 4.3337 4.9268 4.9268 5.0702 5.0702 5.2538 5.2538 5.6979 5.6979 5.9244 5.9244 6.5746 6.5746 6.6949 6.6949 6.9060 6.9060 7.2258 7.2258 7.5592 7.5592 7.7858 7.7858 8.4312 8.4312 8.7241 8.7241 9.0282 9.0282 10.1863 10.1863 11.4764 11.4764 k = 0.1412 0.7843-0.0000 ( 4024 PWs) bands (ev): 4.3388 4.3388 4.9256 4.9256 5.0673 5.0673 5.2528 5.2528 5.7089 5.7089 5.9157 5.9157 6.5925 6.5925 6.7016 6.7016 6.9112 6.9112 7.2292 7.2292 7.5505 7.5505 7.7325 7.7325 8.4335 8.4335 8.7461 8.7461 9.0583 9.0583 10.1515 10.1515 11.4189 11.4189 k = 0.1236 0.7843-0.0000 ( 4024 PWs) bands (ev): 4.3437 4.3437 4.9244 4.9244 5.0647 5.0647 5.2514 5.2514 5.7204 5.7204 5.9056 5.9056 6.6083 6.6083 6.7086 6.7086 6.9203 6.9203 7.2301 7.2301 7.5404 7.5404 7.6835 7.6835 8.4360 8.4360 8.7645 8.7645 9.0948 9.0948 10.1133 10.1133 11.3659 11.3659 k = 0.1059 0.7843-0.0000 ( 4033 PWs) bands (ev): 4.3483 4.3483 4.9233 4.9233 5.0622 5.0622 5.2499 5.2499 5.7324 5.7324 5.8944 5.8944 6.6217 6.6217 6.7151 6.7151 6.9341 6.9341 7.2275 7.2275 7.5287 7.5287 7.6405 7.6405 8.4386 8.4386 8.7798 8.7798 9.1351 9.1351 10.0732 10.0732 11.3182 11.3182 k = 0.0883 0.7843-0.0000 ( 4028 PWs) bands (ev): 4.3525 4.3525 4.9222 4.9222 5.0601 5.0601 5.2483 5.2483 5.7448 5.7448 5.8823 5.8823 6.6327 6.6327 6.7205 6.7205 6.9530 6.9530 7.2207 7.2207 7.5149 7.5149 7.6055 7.6055 8.4411 8.4411 8.7927 8.7927 9.1767 9.1767 10.0327 10.0327 11.2766 11.2766 k = 0.0706 0.7843-0.0000 ( 4028 PWs) bands (ev): 4.3561 4.3561 4.9212 4.9212 5.0583 5.0583 5.2468 5.2468 5.7577 5.7577 5.8694 5.8694 6.6414 6.6414 6.7245 6.7245 6.9765 6.9765 7.2086 7.2086 7.4995 7.4995 7.5796 7.5796 8.4434 8.4434 8.8034 8.8034 9.2171 9.2171 9.9937 9.9937 11.2416 11.2416 k = 0.0530 0.7843-0.0000 ( 4026 PWs) bands (ev): 4.3591 4.3591 4.9204 4.9204 5.0568 5.0568 5.2455 5.2455 5.7709 5.7709 5.8561 5.8561 6.6481 6.6481 6.7270 6.7270 7.0040 7.0040 7.1910 7.1910 7.4842 7.4842 7.5624 7.5624 8.4454 8.4454 8.8119 8.8119 9.2536 9.2536 9.9585 9.9585 11.2138 11.2138 k = 0.0353 0.7843-0.0000 ( 4030 PWs) bands (ev): 4.3613 4.3613 4.9198 4.9198 5.0558 5.0558 5.2446 5.2446 5.7843 5.7843 5.8425 5.8425 6.6529 6.6529 6.7284 6.7284 7.0338 7.0338 7.1683 7.1683 7.4717 7.4717 7.5518 7.5518 8.4469 8.4469 8.8181 8.8181 9.2832 9.2832 9.9299 9.9299 11.1936 11.1936 k = 0.0177 0.7843-0.0000 ( 4032 PWs) bands (ev): 4.3626 4.3626 4.9195 4.9195 5.0551 5.0551 5.2439 5.2439 5.7975 5.7975 5.8291 5.8291 6.6557 6.6557 6.7291 6.7291 7.0633 7.0633 7.1431 7.1431 7.4639 7.4639 7.5461 7.5461 8.4478 8.4478 8.8219 8.8219 9.3027 9.3027 9.9110 9.9110 11.1814 11.1814 k = 0.0000 0.7843-0.0000 ( 4030 PWs) bands (ev): 4.3631 4.3631 4.9194 4.9194 5.0549 5.0549 5.2437 5.2437 5.8063 5.8063 5.8202 5.8202 6.6567 6.6567 6.7293 6.7293 7.0806 7.0806 7.1272 7.1272 7.4612 7.4612 7.5443 7.5443 8.4481 8.4481 8.8232 8.8232 9.3096 9.3096 9.9043 9.9043 11.1773 11.1773 k = 0.0000 0.7843-0.0000 ( 4030 PWs) bands (ev): 4.3631 4.3631 4.9194 4.9194 5.0549 5.0549 5.2437 5.2437 5.8063 5.8063 5.8202 5.8202 6.6567 6.6567 6.7293 6.7293 7.0806 7.0806 7.1272 7.1272 7.4612 7.4612 7.5443 7.5443 8.4481 8.4481 8.8232 8.8232 9.3096 9.3096 9.9043 9.9043 11.1773 11.1773 k = 0.0000 0.7843 0.0184 ( 4032 PWs) bands (ev): 4.3614 4.3614 4.9204 4.9204 5.0547 5.0547 5.2426 5.2426 5.7870 5.7870 5.8416 5.8416 6.6560 6.6560 6.7286 6.7286 7.0801 7.0801 7.1298 7.1298 7.4566 7.4566 7.5486 7.5486 8.4446 8.4446 8.8139 8.8139 9.3286 9.3286 9.9002 9.9002 11.1760 11.1760 k = 0.0000 0.7843 0.0368 ( 4026 PWs) bands (ev): 4.3566 4.3566 4.9234 4.9234 5.0539 5.0539 5.2392 5.2392 5.7644 5.7644 5.8700 5.8700 6.6541 6.6541 6.7262 6.7262 7.0794 7.0794 7.1372 7.1372 7.4453 7.4453 7.5586 7.5586 8.4342 8.4342 8.7915 8.7915 9.3800 9.3800 9.8880 9.8880 11.1719 11.1719 k = 0.0000 0.7843 0.0551 ( 4028 PWs) bands (ev): 4.3487 4.3487 4.9284 4.9284 5.0527 5.0527 5.2338 5.2338 5.7440 5.7440 5.8995 5.8995 6.6522 6.6522 6.7212 6.7212 7.0789 7.0789 7.1487 7.1487 7.4316 7.4316 7.5692 7.5692 8.4181 8.4181 8.7666 8.7666 9.4527 9.4527 9.8687 9.8687 11.1653 11.1653 k = 0.0000 0.7843 0.0735 ( 4032 PWs) bands (ev): 4.3381 4.3381 4.9349 4.9349 5.0511 5.0511 5.2264 5.2264 5.7262 5.7262 5.9294 5.9294 6.6512 6.6512 6.7127 6.7127 7.0786 7.0786 7.1639 7.1639 7.4180 7.4180 7.5766 7.5766 8.3989 8.3989 8.7465 8.7465 9.5364 9.5364 9.8444 9.8444 11.1561 11.1561 k = 0.0000 0.7843 0.0919 ( 4026 PWs) bands (ev): 4.3251 4.3251 4.9427 4.9427 5.0490 5.0490 5.2175 5.2175 5.7109 5.7109 5.9588 5.9588 6.6522 6.6522 6.7004 6.7004 7.0776 7.0776 7.1829 7.1829 7.4060 7.4060 7.5782 7.5782 8.3812 8.3812 8.7341 8.7341 9.6205 9.6205 9.8208 9.8208 11.1445 11.1445 k = 0.0000 0.7843 0.1103 ( 4018 PWs) bands (ev): 4.3101 4.3101 4.9513 4.9513 5.0467 5.0467 5.2073 5.2073 5.6980 5.6980 5.9870 5.9870 6.6557 6.6557 6.6844 6.6844 7.0750 7.0750 7.2054 7.2054 7.3965 7.3965 7.5720 7.5720 8.3698 8.3698 8.7294 8.7294 9.6787 9.6787 9.8216 9.8216 11.1307 11.1307 k = 0.0000 0.7843 0.1287 ( 4022 PWs) bands (ev): 4.2935 4.2935 4.9600 4.9600 5.0443 5.0443 5.1963 5.1963 5.6872 5.6872 6.0134 6.0134 6.6587 6.6587 6.6688 6.6688 7.0697 7.0697 7.2305 7.2305 7.3905 7.3905 7.5576 7.5576 8.3683 8.3683 8.7316 8.7316 9.6748 9.6748 9.8818 9.8818 11.1149 11.1149 k = 0.0000 0.7843 0.1471 ( 4016 PWs) bands (ev): 4.2757 4.2757 4.9679 4.9679 5.0424 5.0424 5.1851 5.1851 5.6781 5.6781 6.0374 6.0374 6.6403 6.6403 6.6750 6.6750 7.0612 7.0612 7.2561 7.2561 7.3888 7.3888 7.5364 7.5364 8.3787 8.3787 8.7396 8.7396 9.6381 9.6381 9.9711 9.9711 11.0973 11.0973 k = 0.0000 0.7843 0.1654 ( 4018 PWs) bands (ev): 4.2570 4.2570 4.9739 4.9739 5.0416 5.0416 5.1740 5.1740 5.6705 5.6705 6.0588 6.0588 6.6157 6.6157 6.6883 6.6883 7.0496 7.0496 7.2793 7.2793 7.3920 7.3920 7.5121 7.5121 8.4008 8.4008 8.7526 8.7526 9.5921 9.5921 10.0657 10.0657 11.0782 11.0782 k = 0.0000 0.7843 0.1838 ( 4018 PWs) bands (ev): 4.2380 4.2380 4.9764 4.9764 5.0424 5.0424 5.1640 5.1640 5.6639 5.6639 6.0774 6.0774 6.5890 6.5890 6.7046 6.7046 7.0350 7.0350 7.2967 7.2967 7.3967 7.3967 7.4929 7.4929 8.4336 8.4336 8.7702 8.7702 9.5428 9.5428 10.1593 10.1593 11.0578 11.0578 k = 0.0000 0.7843 0.2022 ( 4020 PWs) bands (ev): 4.2188 4.2188 4.9747 4.9747 5.0447 5.0447 5.1560 5.1560 5.6581 5.6581 6.0934 6.0934 6.5608 6.5608 6.7225 6.7225 7.0184 7.0184 7.3070 7.3070 7.3914 7.3914 7.4931 7.4931 8.4753 8.4753 8.7919 8.7919 9.4930 9.4930 10.2492 10.2492 11.0364 11.0364 k = 0.0000 0.7843 0.2206 ( 4016 PWs) bands (ev): 4.1999 4.1999 4.9691 4.9691 5.0467 5.0467 5.1514 5.1514 5.6527 5.6527 6.1071 6.1071 6.5314 6.5314 6.7409 6.7409 7.0010 7.0010 7.3102 7.3102 7.3736 7.3736 7.5160 7.5160 8.5243 8.5243 8.8177 8.8177 9.4446 9.4446 10.3334 10.3334 11.0143 11.0143 k = 0.0000 0.7843 0.2390 ( 4012 PWs) bands (ev): 4.1815 4.1815 4.9599 4.9599 5.0466 5.0466 5.1512 5.1512 5.6477 5.6477 6.1188 6.1188 6.5013 6.5013 6.7578 6.7578 6.9845 6.9845 7.3042 7.3042 7.3564 7.3564 7.5507 7.5507 8.5789 8.5789 8.8471 8.8471 9.3994 9.3994 10.4104 10.4104 10.9917 10.9917 k = 0.0000 0.7843 0.2574 ( 4014 PWs) bands (ev): 4.1639 4.1639 4.9477 4.9477 5.0435 5.0435 5.1559 5.1559 5.6428 5.6428 6.1290 6.1290 6.4705 6.4705 6.7714 6.7714 6.9709 6.9709 7.2868 7.2868 7.3488 7.3488 7.5901 7.5901 8.6377 8.6377 8.8799 8.8799 9.3592 9.3592 10.4789 10.4789 10.9689 10.9689 k = 0.0000 0.7843 0.2757 ( 4012 PWs) bands (ev): 4.1474 4.1474 4.9324 4.9324 5.0379 5.0379 5.1646 5.1646 5.6383 5.6383 6.1381 6.1381 6.4395 6.4395 6.7798 6.7798 6.9623 6.9623 7.2638 7.2638 7.3478 7.3478 7.6305 7.6305 8.6995 8.6995 8.9157 8.9157 9.3262 9.3262 10.5377 10.5377 10.9461 10.9461 k = 0.0000 0.7843 0.2941 ( 4004 PWs) bands (ev): 4.1322 4.1322 4.9140 4.9140 5.0309 5.0309 5.1757 5.1757 5.6341 5.6341 6.1464 6.1464 6.4084 6.4084 6.7820 6.7820 6.9595 6.9595 7.2403 7.2403 7.3492 7.3492 7.6697 7.6697 8.7626 8.7626 8.9541 8.9541 9.3029 9.3029 10.5859 10.5859 10.9235 10.9235 k = 0.0000 0.7843 0.3125 ( 4006 PWs) bands (ev): 4.1184 4.1184 4.8924 4.8924 5.0237 5.0237 5.1882 5.1882 5.6305 5.6305 6.1541 6.1541 6.3776 6.3776 6.7786 6.7786 6.9620 6.9620 7.2183 7.2183 7.3513 7.3513 7.7060 7.7060 8.8253 8.8253 8.9946 8.9946 9.2920 9.2920 10.6227 10.6227 10.9012 10.9012 k = 0.0000 0.7843 0.3309 ( 4006 PWs) bands (ev): 4.1063 4.1063 4.8676 4.8676 5.0172 5.0172 5.2008 5.2008 5.6279 5.6279 6.1614 6.1614 6.3477 6.3477 6.7714 6.7714 6.9676 6.9676 7.1987 7.1987 7.3536 7.3536 7.7378 7.7378 8.8850 8.8850 9.0381 9.0381 9.2960 9.2960 10.6482 10.6482 10.8795 10.8795 k = 0.0000 0.7843 0.3493 ( 4000 PWs) bands (ev): 4.0960 4.0960 4.8395 4.8395 5.0117 5.0117 5.2127 5.2127 5.6267 5.6267 6.1682 6.1682 6.3191 6.3191 6.7622 6.7622 6.9742 6.9742 7.1819 7.1819 7.3558 7.3558 7.7634 7.7634 8.9392 8.9392 9.0864 9.0864 9.3161 9.3161 10.6628 10.6628 10.8583 10.8583 k = 0.0000 0.7843 0.3677 ( 3998 PWs) bands (ev): 4.0877 4.0877 4.8085 4.8085 5.0076 5.0076 5.2231 5.2231 5.6274 5.6274 6.1740 6.1740 6.2928 6.2928 6.7519 6.7519 6.9805 6.9805 7.1682 7.1682 7.3578 7.3578 7.7819 7.7819 8.9869 8.9869 9.1416 9.1416 9.3510 9.3510 10.6676 10.6676 10.8377 10.8377 k = 0.0000 0.7843 0.3860 ( 4002 PWs) bands (ev): 4.0814 4.0814 4.7749 4.7749 5.0049 5.0049 5.2315 5.2315 5.6304 5.6304 6.1772 6.1772 6.2705 6.2705 6.7411 6.7411 6.9856 6.9856 7.1578 7.1578 7.3595 7.3595 7.7924 7.7924 9.0305 9.0305 9.2035 9.2035 9.3981 9.3981 10.6641 10.6641 10.8178 10.8178 k = 0.0000 0.7843 0.4044 ( 4012 PWs) bands (ev): 4.0774 4.0774 4.7389 4.7389 5.0038 5.0038 5.2373 5.2373 5.6360 5.6360 6.1751 6.1751 6.2553 6.2553 6.7296 6.7296 6.9896 6.9896 7.1505 7.1505 7.3611 7.3611 7.7948 7.7948 9.0743 9.0743 9.2699 9.2699 9.4542 9.4542 10.6537 10.6537 10.7988 10.7988 k = 0.0000 0.7843 0.4228 ( 4020 PWs) bands (ev): 4.0757 4.0757 4.7012 4.7012 5.0042 5.0042 5.2402 5.2402 5.6446 5.6446 6.1651 6.1651 6.2500 6.2500 6.7171 6.7171 6.9929 6.9929 7.1459 7.1459 7.3626 7.3626 7.7893 7.7893 9.1212 9.1212 9.3385 9.3385 9.5169 9.5169 10.6380 10.6380 10.7807 10.7807 k = 0.0000 0.7843 0.4412 ( 4018 PWs) bands (ev): 4.0764 4.0764 4.6620 4.6620 5.0062 5.0062 5.2401 5.2401 5.6562 5.6562 6.1484 6.1484 6.2532 6.2532 6.7033 6.7033 6.9963 6.9963 7.1434 7.1434 7.3641 7.3641 7.7769 7.7769 9.1726 9.1726 9.4074 9.4074 9.5841 9.5841 10.6183 10.6183 10.7638 10.7638 k = 0.0000 0.7843 0.4596 ( 4016 PWs) bands (ev): 4.0795 4.0795 4.6219 4.6219 5.0096 5.0096 5.2370 5.2370 5.6706 5.6706 6.1282 6.1282 6.2618 6.2618 6.6877 6.6877 7.0006 7.0006 7.1423 7.1423 7.3659 7.3659 7.7585 7.7585 9.2285 9.2285 9.4752 9.4752 9.6544 9.6544 10.5959 10.5959 10.7481 10.7481 k = 0.0000 0.7843 0.4780 ( 4014 PWs) bands (ev): 4.0851 4.0851 4.5813 4.5813 5.0146 5.0146 5.2312 5.2312 5.6876 5.6876 6.1067 6.1067 6.2735 6.2735 6.6702 6.6702 7.0065 7.0065 7.1420 7.1420 7.3683 7.3683 7.7353 7.7353 9.2881 9.2881 9.5403 9.5403 9.7268 9.7268 10.5718 10.5718 10.7337 10.7337 k = 0.0000 0.7843 0.4963 ( 4020 PWs) bands (ev): 4.0933 4.0933 4.5406 4.5406 5.0209 5.0209 5.2229 5.2229 5.7069 5.7069 6.0846 6.0846 6.2876 6.2876 6.6506 6.6506 7.0142 7.0142 7.1419 7.1419 7.3716 7.3716 7.7086 7.7086 9.3502 9.3502 9.6013 9.6013 9.8006 9.8006 10.5469 10.5469 10.7207 10.7207 k = 0.0000 0.7843 0.5147 ( 4020 PWs) bands (ev): 4.1041 4.1041 4.5001 4.5001 5.0286 5.0286 5.2125 5.2125 5.7280 5.7280 6.0623 6.0623 6.3034 6.3034 6.6293 6.6293 7.0236 7.0236 7.1415 7.1415 7.3762 7.3762 7.6793 7.6793 9.4135 9.4135 9.6566 9.6566 9.8752 9.8752 10.5219 10.5219 10.7093 10.7093 k = 0.0000 0.7843 0.5331 ( 4018 PWs) bands (ev): 4.1174 4.1174 4.4603 4.4603 5.0376 5.0376 5.2005 5.2005 5.7505 5.7505 6.0398 6.0398 6.3209 6.3209 6.6063 6.6063 7.0345 7.0345 7.1404 7.1404 7.3824 7.3824 7.6485 7.6485 9.4765 9.4765 9.7045 9.7045 9.9499 9.9499 10.4974 10.4974 10.6998 10.6998 k = 0.0000 0.7843 0.5515 ( 4014 PWs) bands (ev): 4.1333 4.1333 4.4215 4.4215 5.0478 5.0478 5.1873 5.1873 5.7742 5.7742 6.0171 6.0171 6.3399 6.3399 6.5821 6.5821 7.0465 7.0465 7.1384 7.1384 7.3908 7.3908 7.6171 7.6171 9.5376 9.5376 9.7434 9.7434 10.0240 10.0240 10.4737 10.4737 10.6926 10.6926 k = 0.0000 0.7843 0.5699 ( 4014 PWs) bands (ev): 4.1518 4.1518 4.3839 4.3839 5.0591 5.0591 5.1731 5.1731 5.7985 5.7985 5.9940 5.9940 6.3604 6.3604 6.5569 6.5569 7.0592 7.0592 7.1350 7.1350 7.4017 7.4017 7.5858 7.5858 9.5956 9.5956 9.7717 9.7717 10.0964 10.0964 10.4507 10.4507 10.6886 10.6886 k = 0.0000 0.7843 0.5883 ( 4014 PWs) bands (ev): 4.1728 4.1728 4.3477 4.3477 5.0715 5.0715 5.1583 5.1583 5.8233 5.8233 5.9706 5.9706 6.3822 6.3822 6.5312 6.5312 7.0719 7.0719 7.1302 7.1302 7.4153 7.4153 7.5552 7.5552 9.6487 9.6487 9.7884 9.7884 10.1657 10.1657 10.4274 10.4274 10.6891 10.6891 k = 0.0000 0.7843 0.6066 ( 4012 PWs) bands (ev): 4.1963 4.1963 4.3133 4.3133 5.0847 5.0847 5.1432 5.1432 5.8483 5.8483 5.9468 5.9468 6.4051 6.4051 6.5053 6.5053 7.0844 7.0844 7.1239 7.1239 7.4318 7.4318 7.5260 7.5260 9.6957 9.6957 9.7927 9.7927 10.2298 10.2298 10.4021 10.4021 10.6963 10.6963 k = 0.0000 0.7843 0.6250 ( 4010 PWs) bands (ev): 4.2222 4.2222 4.2809 4.2809 5.0986 5.0986 5.1281 5.1281 5.8733 5.8733 5.9226 5.9226 6.4291 6.4291 6.4794 6.4794 7.0961 7.0961 7.1161 7.1161 7.4513 7.4513 7.4987 7.4987 9.7350 9.7350 9.7848 9.7848 10.2865 10.2865 10.3720 10.3720 10.7124 10.7124 k = 0.0000 0.7843 0.6434 ( 4004 PWs) bands (ev): 4.2504 4.2504 4.2504 4.2504 5.1132 5.1132 5.1132 5.1132 5.8981 5.8981 5.8981 5.8981 6.4540 6.4540 6.4540 6.4540 7.1068 7.1068 7.1068 7.1068 7.4737 7.4737 7.4737 7.4737 9.7652 9.7652 9.7652 9.7652 10.3340 10.3340 10.3340 10.3340 10.7396 10.7396 k = 0.0000 0.7843 0.6434 ( 4004 PWs) bands (ev): 4.2504 4.2504 4.2504 4.2504 5.1132 5.1132 5.1132 5.1132 5.8981 5.8981 5.8981 5.8981 6.4540 6.4540 6.4540 6.4540 7.1068 7.1068 7.1068 7.1068 7.4737 7.4737 7.4737 7.4737 9.7652 9.7652 9.7652 9.7652 10.3340 10.3340 10.3340 10.3340 10.7396 10.7396 k = 0.0177 0.7843 0.6434 ( 4008 PWs) bands (ev): 4.2498 4.2498 4.2507 4.2507 5.1055 5.1055 5.1215 5.1215 5.8907 5.8907 5.9059 5.9059 6.4383 6.4383 6.4708 6.4708 7.1045 7.1045 7.1092 7.1092 7.4720 7.4720 7.4738 7.4738 9.7370 9.7370 9.7809 9.7809 10.3266 10.3266 10.3482 10.3482 10.7314 10.7314 k = 0.0353 0.7843 0.6434 ( 4012 PWs) bands (ev): 4.2490 4.2490 4.2508 4.2508 5.0987 5.0987 5.1304 5.1304 5.8838 5.8838 5.9141 5.9141 6.4240 6.4240 6.4888 6.4888 7.1026 7.1026 7.1119 7.1119 7.4689 7.4689 7.4724 7.4724 9.6994 9.6994 9.7823 9.7823 10.3281 10.3281 10.3660 10.3660 10.7311 10.7311 k = 0.0530 0.7843 0.6434 ( 4012 PWs) bands (ev): 4.2480 4.2480 4.2505 4.2505 5.0927 5.0927 5.1397 5.1397 5.8774 5.8774 5.9225 5.9225 6.4110 6.4110 6.5077 6.5077 7.1011 7.1011 7.1146 7.1146 7.4643 7.4643 7.4694 7.4694 9.6557 9.6557 9.7696 9.7696 10.3387 10.3387 10.3848 10.3848 10.7383 10.7383 k = 0.0706 0.7843 0.6434 ( 4018 PWs) bands (ev): 4.2468 4.2468 4.2501 4.2501 5.0875 5.0875 5.1492 5.1492 5.8715 5.8715 5.9311 5.9311 6.3994 6.3994 6.5275 6.5275 7.1001 7.1001 7.1174 7.1174 7.4584 7.4584 7.4648 7.4648 9.6084 9.6084 9.7451 9.7451 10.3563 10.3563 10.4028 10.4028 10.7525 10.7525 k = 0.0883 0.7843 0.6434 ( 4010 PWs) bands (ev): 4.2457 4.2457 4.2495 4.2495 5.0830 5.0830 5.1588 5.1588 5.8662 5.8662 5.9398 5.9398 6.3892 6.3892 6.5477 6.5477 7.0995 7.0995 7.1201 7.1201 7.4514 7.4514 7.4588 7.4588 9.5597 9.5597 9.7122 9.7122 10.3781 10.3781 10.4194 10.4194 10.7729 10.7729 k = 0.1059 0.7843 0.6434 ( 4010 PWs) bands (ev): 4.2446 4.2446 4.2490 4.2490 5.0792 5.0792 5.1682 5.1682 5.8615 5.8615 5.9485 5.9485 6.3803 6.3803 6.5683 6.5683 7.0995 7.0995 7.1226 7.1226 7.4435 7.4435 7.4514 7.4514 9.5111 9.5111 9.6743 9.6743 10.4015 10.4015 10.4344 10.4344 10.7985 10.7985 k = 0.1236 0.7843 0.6434 ( 4016 PWs) bands (ev): 4.2438 4.2438 4.2485 4.2485 5.0759 5.0759 5.1772 5.1772 5.8573 5.8573 5.9569 5.9569 6.3727 6.3727 6.5889 6.5889 7.1000 7.1000 7.1249 7.1249 7.4350 7.4350 7.4429 7.4429 9.4639 9.4639 9.6340 9.6340 10.4248 10.4248 10.4482 10.4482 10.8283 10.8283 k = 0.1412 0.7843 0.6434 ( 4016 PWs) bands (ev): 4.2434 4.2434 4.2483 4.2483 5.0730 5.0730 5.1855 5.1855 5.8536 5.8536 5.9650 5.9650 6.3664 6.3664 6.6092 6.6092 7.1010 7.1010 7.1268 7.1268 7.4260 7.4260 7.4334 7.4334 9.4192 9.4192 9.5933 9.5933 10.4469 10.4469 10.4611 10.4611 10.8605 10.8605 k = 0.1589 0.7843 0.6434 ( 4012 PWs) bands (ev): 4.2434 4.2434 4.2484 4.2484 5.0704 5.0704 5.1930 5.1930 5.8505 5.8505 5.9726 5.9726 6.3611 6.3611 6.6286 6.6286 7.1024 7.1024 7.1281 7.1281 7.4171 7.4171 7.4233 7.4233 9.3775 9.3775 9.5539 9.5539 10.4677 10.4677 10.4732 10.4732 10.8937 10.8937 k = 0.1765 0.7843 0.6434 ( 4016 PWs) bands (ev): 4.2439 4.2439 4.2491 4.2491 5.0679 5.0679 5.1995 5.1995 5.8479 5.8479 5.9796 5.9796 6.3566 6.3566 6.6469 6.6469 7.1040 7.1040 7.1289 7.1289 7.4087 7.4087 7.4130 7.4130 9.3397 9.3397 9.5170 9.5170 10.4848 10.4848 10.4871 10.4871 10.9261 10.9261 k = 0.1942 0.7843 0.6434 ( 4014 PWs) bands (ev): 4.2451 4.2451 4.2503 4.2503 5.0655 5.0655 5.2049 5.2049 5.8458 5.8458 5.9858 5.9858 6.3528 6.3528 6.6634 6.6634 7.1056 7.1056 7.1288 7.1288 7.4013 7.4013 7.4031 7.4031 9.3061 9.3061 9.4833 9.4833 10.4960 10.4960 10.5051 10.5051 10.9563 10.9563 k = 0.2118 0.7843 0.6434 ( 4010 PWs) bands (ev): 4.2470 4.2470 4.2522 4.2522 5.0630 5.0630 5.2090 5.2090 5.8442 5.8442 5.9913 5.9913 6.3494 6.3494 6.6777 6.6777 7.1068 7.1068 7.1279 7.1279 7.3941 7.3941 7.3952 7.3952 9.2773 9.2773 9.4536 9.4536 10.5069 10.5069 10.5220 10.5220 10.9829 10.9829 k = 0.2295 0.7843 0.6434 ( 4008 PWs) bands (ev): 4.2497 4.2497 4.2549 4.2549 5.0603 5.0603 5.2118 5.2118 5.8430 5.8430 5.9959 5.9959 6.3462 6.3462 6.6892 6.6892 7.1071 7.1071 7.1261 7.1261 7.3865 7.3865 7.3910 7.3910 9.2534 9.2534 9.4283 9.4283 10.5174 10.5174 10.5379 10.5379 11.0048 11.0048 k = 0.2471 0.7843 0.6434 ( 4010 PWs) bands (ev): 4.2531 4.2531 4.2584 4.2584 5.0575 5.0575 5.2133 5.2133 5.8422 5.8422 5.9996 5.9996 6.3430 6.3430 6.6975 6.6975 7.1062 7.1062 7.1234 7.1234 7.3811 7.3811 7.3890 7.3890 9.2348 9.2348 9.4079 9.4079 10.5275 10.5275 10.5526 10.5526 11.0211 11.0211 k = 0.2648 0.7843 0.6434 ( 4014 PWs) bands (ev): 4.2573 4.2573 4.2628 4.2628 5.0544 5.0544 5.2134 5.2134 5.8418 5.8418 6.0024 6.0024 6.3396 6.3396 6.7023 6.7023 7.1037 7.1037 7.1200 7.1200 7.3782 7.3782 7.3893 7.3893 9.2215 9.2215 9.3926 9.3926 10.5369 10.5369 10.5664 10.5664 11.0311 11.0311 k = 0.2824 0.7843 0.6434 ( 4012 PWs) bands (ev): 4.2623 4.2623 4.2679 4.2679 5.0512 5.0512 5.2123 5.2123 5.8417 5.8417 6.0043 6.0043 6.3360 6.3360 6.7034 6.7034 7.0993 7.0993 7.1161 7.1161 7.3781 7.3781 7.3919 7.3919 9.2137 9.2137 9.3825 9.3825 10.5456 10.5456 10.5789 10.5789 11.0345 11.0345 k = 0.2824 0.7843 0.6434 ( 4012 PWs) bands (ev): 4.2623 4.2623 4.2679 4.2679 5.0512 5.0512 5.2123 5.2123 5.8417 5.8417 6.0043 6.0043 6.3360 6.3360 6.7034 6.7034 7.0993 7.0993 7.1161 7.1161 7.3781 7.3781 7.3919 7.3919 9.2137 9.2137 9.3825 9.3825 10.5456 10.5456 10.5789 10.5789 11.0345 11.0345 k = 0.2761 0.7669 0.6434 ( 4012 PWs) bands (ev): 4.2467 4.2467 4.2516 4.2516 5.0618 5.0618 5.2179 5.2179 5.8418 5.8418 5.9995 5.9995 6.3476 6.3476 6.7047 6.7047 7.1139 7.1139 7.1274 7.1274 7.3755 7.3755 7.3815 7.3815 9.2268 9.2268 9.4028 9.4028 10.5208 10.5208 10.5438 10.5438 11.0358 11.0358 k = 0.2699 0.7495 0.6434 ( 4004 PWs) bands (ev): 4.2327 4.2327 4.2369 4.2369 5.0730 5.0730 5.2240 5.2240 5.8426 5.8426 5.9940 5.9940 6.3593 6.3593 6.7037 6.7037 7.1242 7.1242 7.1358 7.1358 7.3726 7.3726 7.3758 7.3758 9.2353 9.2353 9.4180 9.4180 10.4971 10.4971 10.5124 10.5124 11.0391 11.0391 k = 0.2636 0.7321 0.6434 ( 4008 PWs) bands (ev): 4.2206 4.2206 4.2239 4.2239 5.0846 5.0846 5.2303 5.2303 5.8441 5.8441 5.9879 5.9879 6.3712 6.3712 6.7005 6.7005 7.1297 7.1297 7.1409 7.1409 7.3652 7.3652 7.3791 7.3791 9.2401 9.2401 9.4287 9.4287 10.4746 10.4746 10.4847 10.4847 11.0431 11.0431 k = 0.2573 0.7146 0.6434 ( 4008 PWs) bands (ev): 4.2102 4.2102 4.2128 4.2128 5.0965 5.0965 5.2369 5.2369 5.8464 5.8464 5.9813 5.9813 6.3832 6.3832 6.6953 6.6953 7.1306 7.1306 7.1426 7.1426 7.3591 7.3591 7.3845 7.3845 9.2425 9.2425 9.4359 9.4359 10.4534 10.4534 10.4611 10.4611 11.0466 11.0466 k = 0.2510 0.6972 0.6434 ( 4002 PWs) bands (ev): 4.2017 4.2017 4.2035 4.2035 5.1087 5.1087 5.2438 5.2438 5.8493 5.8493 5.9741 5.9741 6.3955 6.3955 6.6881 6.6881 7.1274 7.1274 7.1410 7.1410 7.3541 7.3541 7.3911 7.3911 9.2432 9.2432 9.4404 9.4404 10.4337 10.4337 10.4415 10.4415 11.0484 11.0484 k = 0.2448 0.6798 0.6434 ( 4006 PWs) bands (ev): 4.1950 4.1950 4.1960 4.1960 5.1211 5.1211 5.2507 5.2507 5.8528 5.8528 5.9663 5.9663 6.4080 6.4080 6.6790 6.6790 7.1212 7.1212 7.1365 7.1365 7.3497 7.3497 7.3977 7.3977 9.2432 9.2432 9.4430 9.4430 10.4157 10.4157 10.4260 10.4260 11.0473 11.0473 k = 0.2385 0.6623 0.6434 ( 4006 PWs) bands (ev): 4.1902 4.1902 4.1905 4.1905 5.1335 5.1335 5.2578 5.2578 5.8569 5.8569 5.9579 5.9579 6.4205 6.4205 6.6682 6.6682 7.1129 7.1129 7.1293 7.1293 7.3458 7.3458 7.4034 7.4034 9.2432 9.2432 9.4445 9.4445 10.3997 10.3997 10.4146 10.4146 11.0423 11.0423 k = 0.2322 0.6449 0.6434 ( 4010 PWs) bands (ev): 4.1868 4.1868 4.1873 4.1873 5.1458 5.1458 5.2649 5.2649 5.8613 5.8613 5.9490 5.9490 6.4329 6.4329 6.6556 6.6556 7.1033 7.1033 7.1199 7.1199 7.3420 7.3420 7.4073 7.4073 9.2439 9.2439 9.4455 9.4455 10.3858 10.3858 10.4072 10.4072 11.0324 11.0324 k = 0.2259 0.6275 0.6434 ( 4014 PWs) bands (ev): 4.1849 4.1849 4.1862 4.1862 5.1581 5.1581 5.2720 5.2720 5.8660 5.8660 5.9394 5.9394 6.4447 6.4447 6.6413 6.6413 7.0933 7.0933 7.1086 7.1086 7.3384 7.3384 7.4089 7.4089 9.2457 9.2457 9.4465 9.4465 10.3744 10.3744 10.4037 10.4037 11.0169 11.0169 k = 0.2197 0.6100 0.6434 ( 4016 PWs) bands (ev): 4.1849 4.1849 4.1870 4.1870 5.1701 5.1701 5.2790 5.2790 5.8707 5.8707 5.9291 5.9291 6.4558 6.4558 6.6254 6.6254 7.0835 7.0835 7.0959 7.0959 7.3350 7.3350 7.4080 7.4080 9.2489 9.2489 9.4480 9.4480 10.3656 10.3656 10.4038 10.4038 10.9952 10.9952 k = 0.2134 0.5926 0.6434 ( 4012 PWs) bands (ev): 4.1867 4.1867 4.1895 4.1895 5.1819 5.1819 5.2860 5.2860 5.8752 5.8752 5.9180 5.9180 6.4656 6.4656 6.6079 6.6079 7.0746 7.0746 7.0820 7.0820 7.3320 7.3320 7.4045 7.4045 9.2536 9.2536 9.4502 9.4502 10.3595 10.3595 10.4074 10.4074 10.9670 10.9670 k = 0.2071 0.5752 0.6434 ( 4012 PWs) bands (ev): 4.1903 4.1903 4.1938 4.1938 5.1933 5.1933 5.2928 5.2928 5.8792 5.8792 5.9062 5.9062 6.4738 6.4738 6.5889 6.5889 7.0673 7.0673 7.0674 7.0674 7.3295 7.3295 7.3986 7.3986 9.2600 9.2600 9.4535 9.4535 10.3559 10.3559 10.4142 10.4142 10.9322 10.9322 k = 0.2008 0.5578 0.6434 ( 4028 PWs) bands (ev): 4.1956 4.1956 4.1998 4.1998 5.2043 5.2043 5.2994 5.2994 5.8824 5.8824 5.8934 5.8934 6.4798 6.4798 6.5686 6.5686 7.0522 7.0522 7.0619 7.0619 7.3277 7.3277 7.3906 7.3906 9.2679 9.2679 9.4581 9.4581 10.3549 10.3549 10.4237 10.4237 10.8909 10.8909 k = 0.1945 0.5403 0.6434 ( 4024 PWs) bands (ev): 4.2026 4.2026 4.2074 4.2074 5.2149 5.2149 5.3058 5.3058 5.8797 5.8797 5.8844 5.8844 6.4833 6.4833 6.5472 6.5472 7.0371 7.0371 7.0588 7.0588 7.3268 7.3268 7.3810 7.3810 9.2775 9.2775 9.4642 9.4642 10.3562 10.3562 10.4355 10.4355 10.8435 10.8435 k = 0.1883 0.5229 0.6434 ( 4024 PWs) bands (ev): 4.2111 4.2111 4.2165 4.2165 5.2249 5.2249 5.3120 5.3120 5.8649 5.8649 5.8850 5.8850 6.4841 6.4841 6.5247 6.5247 7.0222 7.0222 7.0582 7.0582 7.3270 7.3270 7.3702 7.3702 9.2885 9.2885 9.4718 9.4718 10.3592 10.3592 10.4493 10.4493 10.7905 10.7905 k = 0.1820 0.5055 0.6434 ( 4024 PWs) bands (ev): 4.2211 4.2211 4.2271 4.2271 5.2343 5.2343 5.3178 5.3178 5.8490 5.8490 5.8838 5.8838 6.4820 6.4820 6.5015 6.5015 7.0080 7.0080 7.0599 7.0599 7.3284 7.3284 7.3590 7.3590 9.3008 9.3008 9.4812 9.4812 10.3634 10.3634 10.4645 10.4645 10.7327 10.7327 k = 0.1757 0.4880 0.6434 ( 4024 PWs) bands (ev): 4.2325 4.2325 4.2390 4.2390 5.2431 5.2431 5.3233 5.3233 5.8320 5.8320 5.8805 5.8805 6.4772 6.4772 6.4778 6.4778 6.9949 6.9949 7.0635 7.0635 7.3310 7.3310 7.3481 7.3481 9.3144 9.3144 9.4923 9.4923 10.3677 10.3677 10.4802 10.4802 10.6714 10.6714 k = 0.1694 0.4706 0.6434 ( 4034 PWs) bands (ev): 4.2451 4.2451 4.2522 4.2522 5.2512 5.2512 5.3283 5.3283 5.8139 5.8139 5.8747 5.8747 6.4539 6.4539 6.4698 6.4698 6.9831 6.9831 7.0683 7.0683 7.3347 7.3347 7.3385 7.3385 9.3291 9.3291 9.5053 9.5053 10.3704 10.3704 10.4945 10.4945 10.6088 10.6088 k = 0.1632 0.4532 0.6434 ( 4038 PWs) bands (ev): 4.2590 4.2590 4.2665 4.2665 5.2585 5.2585 5.3329 5.3329 5.7946 5.7946 5.8663 5.8663 6.4302 6.4302 6.4601 6.4601 6.9730 6.9730 7.0733 7.0733 7.3309 7.3309 7.3397 7.3397 9.3449 9.3449 9.5201 9.5201 10.3688 10.3688 10.4958 10.4958 10.5573 10.5573 k = 0.1569 0.4357 0.6434 ( 4044 PWs) bands (ev): 4.2738 4.2738 4.2817 4.2817 5.2651 5.2651 5.3370 5.3370 5.7743 5.7743 5.8551 5.8551 6.4069 6.4069 6.4486 6.4486 6.9646 6.9646 7.0775 7.0775 7.3264 7.3264 7.3457 7.3457 9.3615 9.3615 9.5368 9.5368 10.3592 10.3592 10.4503 10.4503 10.5510 10.5510 k = 0.1506 0.4183 0.6434 ( 4044 PWs) bands (ev): 4.2896 4.2896 4.2978 4.2978 5.2708 5.2708 5.3405 5.3405 5.7529 5.7529 5.8411 5.8411 6.3844 6.3844 6.4356 6.4356 6.9581 6.9581 7.0800 7.0800 7.3257 7.3257 7.3527 7.3527 9.3788 9.3788 9.5553 9.5553 10.3376 10.3376 10.3840 10.3840 10.5647 10.5647 k = 0.1443 0.4009 0.6434 ( 4044 PWs) bands (ev): 4.3061 4.3061 4.3146 4.3146 5.2756 5.2756 5.3434 5.3434 5.7305 5.7305 5.8243 5.8243 6.3628 6.3628 6.4216 6.4216 6.9535 6.9535 7.0802 7.0802 7.3290 7.3290 7.3605 7.3605 9.3966 9.3966 9.5755 9.5755 10.3035 10.3035 10.3146 10.3146 10.5778 10.5778 k = 0.1381 0.3835 0.6434 ( 4048 PWs) bands (ev): 4.3232 4.3232 4.3320 4.3320 5.2795 5.2795 5.3455 5.3455 5.7075 5.7075 5.8050 5.8050 6.3424 6.3424 6.4070 6.4070 6.9508 6.9508 7.0781 7.0781 7.3363 7.3363 7.3691 7.3691 9.4145 9.4145 9.5971 9.5971 10.2456 10.2456 10.2608 10.2608 10.5758 10.5758 k = 0.1318 0.3660 0.6434 ( 4046 PWs) bands (ev): 4.3408 4.3408 4.3498 4.3498 5.2825 5.2825 5.3468 5.3468 5.6839 5.6839 5.7833 5.7833 6.3233 6.3233 6.3919 6.3919 6.9499 6.9499 7.0740 7.0740 7.3468 7.3468 7.3782 7.3782 9.4321 9.4321 9.6197 9.6197 10.1784 10.1784 10.2145 10.2145 10.5814 10.5814 k = 0.1255 0.3486 0.6434 ( 4034 PWs) bands (ev): 4.3587 4.3587 4.3678 4.3678 5.2846 5.2846 5.3472 5.3472 5.6599 5.6599 5.7597 5.7597 6.3056 6.3056 6.3767 6.3767 6.9505 6.9505 7.0684 7.0684 7.3598 7.3598 7.3876 7.3876 9.4490 9.4490 9.6427 9.6427 10.1144 10.1144 10.1686 10.1686 10.5914 10.5914 k = 0.1192 0.3312 0.6434 ( 4038 PWs) bands (ev): 4.3767 4.3767 4.3859 4.3859 5.2858 5.2858 5.3467 5.3467 5.6359 5.6359 5.7344 5.7344 6.2895 6.2895 6.3615 6.3615 6.9526 6.9526 7.0621 7.0621 7.3743 7.3743 7.3973 7.3973 9.4643 9.4643 9.6650 9.6650 10.0553 10.0553 10.1260 10.1260 10.6038 10.6038 k = 0.1130 0.3137 0.6434 ( 4046 PWs) bands (ev): 4.3946 4.3946 4.4039 4.4039 5.2861 5.2861 5.3451 5.3451 5.6121 5.6121 5.7079 5.7079 6.2748 6.2748 6.3467 6.3467 6.9559 6.9559 7.0555 7.0555 7.3895 7.3895 7.4070 7.4070 9.4773 9.4773 9.6846 9.6846 10.0032 10.0032 10.0888 10.0888 10.6176 10.6176 k = 0.1067 0.2963 0.6434 ( 4050 PWs) bands (ev): 4.4124 4.4124 4.4217 4.4217 5.2856 5.2856 5.3423 5.3423 5.5888 5.5888 5.6806 5.6806 6.2616 6.2616 6.3323 6.3323 6.9602 6.9602 7.0492 7.0492 7.4048 7.4048 7.4165 7.4165 9.4872 9.4872 9.6981 9.6981 9.9619 9.9619 10.0585 10.0585 10.6320 10.6320 k = 0.1004 0.2789 0.6434 ( 4038 PWs) bands (ev): 4.4298 4.4298 4.4390 4.4390 5.2844 5.2844 5.3385 5.3385 5.5662 5.5662 5.6530 5.6530 6.2499 6.2499 6.3184 6.3184 6.9653 6.9653 7.0435 7.0435 7.4195 7.4195 7.4257 7.4257 9.4934 9.4934 9.7009 9.7009 9.9360 9.9360 10.0361 10.0361 10.6466 10.6466 k = 0.0941 0.2614 0.6434 ( 4034 PWs) bands (ev): 4.4467 4.4467 4.4558 4.4558 5.2826 5.2826 5.3334 5.3334 5.5447 5.5447 5.6253 5.6253 6.2397 6.2397 6.3053 6.3053 6.9710 6.9710 7.0385 7.0385 7.4334 7.4334 7.4345 7.4345 9.4954 9.4954 9.6897 9.6897 9.9286 9.9286 10.0222 10.0222 10.6611 10.6612 k = 0.0879 0.2440 0.6434 ( 4046 PWs) bands (ev): 4.4629 4.4629 4.4719 4.4719 5.2802 5.2802 5.3272 5.3272 5.5245 5.5245 5.5980 5.5980 6.2308 6.2308 6.2929 6.2929 6.9771 6.9771 7.0344 7.0344 7.4427 7.4427 7.4460 7.4460 9.4934 9.4934 9.6669 9.6669 9.9373 9.9373 10.0164 10.0164 10.6755 10.6755 k = 0.0816 0.2266 0.6434 ( 4052 PWs) bands (ev): 4.4783 4.4783 4.4872 4.4872 5.2774 5.2774 5.3200 5.3200 5.5057 5.5057 5.5713 5.5713 6.2233 6.2233 6.2813 6.2813 6.9834 6.9834 7.0312 7.0312 7.4502 7.4502 7.4572 7.4572 9.4881 9.4881 9.6381 9.6381 9.9562 9.9562 10.0179 10.0179 10.6896 10.6896 k = 0.0753 0.2092 0.6434 ( 4048 PWs) bands (ev): 4.4929 4.4929 4.5015 4.5015 5.2744 5.2744 5.3118 5.3118 5.4884 5.4884 5.5456 5.5456 6.2171 6.2171 6.2706 6.2706 6.9898 6.9898 7.0290 7.0290 7.4570 7.4570 7.4668 7.4668 9.4803 9.4803 9.6078 9.6078 9.9802 9.9802 10.0255 10.0255 10.7034 10.7035 k = 0.0690 0.1917 0.6434 ( 4048 PWs) bands (ev): 4.5064 4.5064 4.5147 4.5147 5.2712 5.2712 5.3030 5.3030 5.4728 5.4728 5.5212 5.5212 6.2119 6.2119 6.2608 6.2608 6.9962 6.9962 7.0276 7.0276 7.4631 7.4631 7.4749 7.4749 9.4713 9.4713 9.5783 9.5783 10.0065 10.0065 10.0374 10.0374 10.7169 10.7169 k = 0.0628 0.1743 0.6434 ( 4052 PWs) bands (ev): 4.5188 4.5188 4.5268 4.5268 5.2679 5.2679 5.2938 5.2938 5.4587 5.4587 5.4982 5.4982 6.2078 6.2078 6.2519 6.2519 7.0023 7.0023 7.0270 7.0270 7.4683 7.4683 7.4815 7.4815 9.4618 9.4618 9.5511 9.5511 10.0332 10.0332 10.0523 10.0523 10.7300 10.7305 k = 0.0565 0.1569 0.6434 ( 4034 PWs) bands (ev): 4.5300 4.5300 4.5377 4.5377 5.2646 5.2646 5.2846 5.2846 5.4461 5.4461 5.4771 5.4771 6.2047 6.2047 6.2439 6.2439 7.0082 7.0082 7.0271 7.0271 7.4728 7.4728 7.4866 7.4866 9.4526 9.4526 9.5266 9.5266 10.0590 10.0590 10.0689 10.0689 10.7425 10.7432 k = 0.0502 0.1394 0.6434 ( 4042 PWs) bands (ev): 4.5401 4.5401 4.5474 4.5474 5.2614 5.2614 5.2757 5.2757 5.4348 5.4348 5.4579 5.4579 6.2024 6.2024 6.2368 6.2368 7.0136 7.0136 7.0277 7.0277 7.4766 7.4766 7.4903 7.4903 9.4443 9.4443 9.5051 9.5051 10.0831 10.0831 10.0860 10.0860 10.7556 10.7587 k = 0.0439 0.1220 0.6434 ( 4034 PWs) bands (ev): 4.5490 4.5490 4.5557 4.5557 5.2582 5.2582 5.2674 5.2674 5.4248 5.4248 5.4409 5.4409 6.2008 6.2008 6.2305 6.2305 7.0186 7.0186 7.0288 7.0288 7.4797 7.4797 7.4929 7.4929 9.4371 9.4371 9.4866 9.4866 10.1028 10.1028 10.1048 10.1048 10.7670 10.7673 k = 0.0377 0.1046 0.6434 ( 4034 PWs) bands (ev): 4.5568 4.5568 4.5627 4.5627 5.2550 5.2550 5.2600 5.2600 5.4160 5.4160 5.4262 5.4262 6.1999 6.1999 6.2250 6.2250 7.0230 7.0230 7.0301 7.0301 7.4823 7.4823 7.4944 7.4944 9.4313 9.4313 9.4710 9.4710 10.1186 10.1186 10.1238 10.1238 10.7754 10.7755 k = 0.0314 0.0871 0.6434 ( 4038 PWs) bands (ev): 4.5633 4.5633 4.5685 4.5685 5.2520 5.2520 5.2538 5.2538 5.4083 5.4083 5.4140 5.4140 6.1995 6.1995 6.2202 6.2202 7.0268 7.0268 7.0316 7.0316 7.4845 7.4845 7.4951 7.4951 9.4267 9.4267 9.4579 9.4579 10.1329 10.1329 10.1397 10.1397 10.7832 10.7832 k = 0.0251 0.0697 0.6434 ( 4040 PWs) bands (ev): 4.5687 4.5687 4.5731 4.5731 5.2487 5.2487 5.2491 5.2491 5.4018 5.4018 5.4043 5.4043 6.1997 6.1997 6.2160 6.2160 7.0300 7.0300 7.0330 7.0330 7.4863 7.4863 7.4952 7.4952 9.4236 9.4236 9.4473 9.4473 10.1453 10.1453 10.1524 10.1524 10.7903 10.7904 k = 0.0188 0.0523 0.6434 ( 4052 PWs) bands (ev): 4.5730 4.5730 4.5764 4.5764 5.2450 5.2450 5.2464 5.2464 5.3965 5.3965 5.3970 5.3970 6.2003 6.2003 6.2124 6.2124 7.0325 7.0325 7.0343 7.0343 7.4879 7.4879 7.4947 7.4947 9.4217 9.4217 9.4388 9.4388 10.1555 10.1555 10.1619 10.1619 10.7965 10.7966 k = 0.0126 0.0349 0.6434 ( 4048 PWs) bands (ev): 4.5763 4.5763 4.5786 4.5786 5.2426 5.2426 5.2441 5.2441 5.3921 5.3921 5.3924 5.3924 6.2013 6.2013 6.2093 6.2093 7.0343 7.0343 7.0353 7.0353 7.4893 7.4893 7.4940 7.4940 9.4211 9.4211 9.4322 9.4322 10.1634 10.1634 10.1681 10.1681 10.8014 10.8015 k = 0.0063 0.0174 0.6434 ( 4048 PWs) bands (ev): 4.5785 4.5785 4.5796 4.5796 5.2415 5.2415 5.2424 5.2424 5.3894 5.3894 5.3898 5.3898 6.2027 6.2027 6.2066 6.2066 7.0354 7.0354 7.0359 7.0359 7.4906 7.4906 7.4930 7.4930 9.4218 9.4218 9.4272 9.4272 10.1687 10.1687 10.1712 10.1712 10.8049 10.8053 k = 0.0000 0.0000 0.6434 ( 4044 PWs) bands (ev): 4.5796 4.5796 4.5796 4.5796 5.2414 5.2414 5.2414 5.2414 5.3887 5.3887 5.3887 5.3887 6.2045 6.2045 6.2045 6.2045 7.0359 7.0359 7.0359 7.0359 7.4918 7.4918 7.4918 7.4918 9.4238 9.4238 9.4238 9.4238 10.1714 10.1714 10.1714 10.1714 10.8064 10.8064 k = 0.0000 0.0000 0.6434 ( 4044 PWs) bands (ev): 4.5796 4.5796 4.5796 4.5796 5.2414 5.2414 5.2414 5.2414 5.3887 5.3887 5.3887 5.3887 6.2045 6.2045 6.2045 6.2045 7.0359 7.0359 7.0359 7.0359 7.4918 7.4918 7.4918 7.4918 9.4238 9.4238 9.4238 9.4238 10.1714 10.1714 10.1714 10.1714 10.8064 10.8064 k = 0.0000 0.0000 0.6250 ( 4052 PWs) bands (ev): 4.5574 4.5574 4.5951 4.5951 5.2048 5.2048 5.2731 5.2731 5.3746 5.3746 5.4077 5.4077 6.1991 6.1991 6.2094 6.2094 6.9908 6.9908 7.0802 7.0802 7.4522 7.4522 7.5380 7.5380 9.3281 9.3281 9.5193 9.5193 10.1105 10.1105 10.2366 10.2366 10.7745 10.7745 k = 0.0000 0.0000 0.6066 ( 4056 PWs) bands (ev): 4.5288 4.5288 4.6039 4.6039 5.1666 5.1666 5.2964 5.2964 5.3631 5.3631 5.4336 5.4336 6.1932 6.1932 6.2141 6.2141 6.9462 6.9462 7.1218 7.1218 7.4193 7.4193 7.5903 7.5903 9.2329 9.2329 9.6138 9.6138 10.0551 10.0551 10.3052 10.3052 10.7421 10.7421 k = 0.0000 0.0000 0.5883 ( 4050 PWs) bands (ev): 4.4938 4.4938 4.6060 4.6060 5.1295 5.1295 5.3103 5.3103 5.3533 5.3533 5.4663 5.4663 6.1868 6.1868 6.2184 6.2184 6.9033 6.9033 7.1584 7.1584 7.3940 7.3940 7.6486 7.6486 9.1392 9.1392 9.7065 9.7065 10.0063 10.0063 10.3760 10.3760 10.7102 10.7102 k = 0.0000 0.0000 0.5699 ( 4044 PWs) bands (ev): 4.4522 4.4522 4.6017 4.6017 5.0950 5.0950 5.3152 5.3152 5.3458 5.3458 5.5033 5.5033 6.1799 6.1799 6.2225 6.2225 6.8627 6.8627 7.1870 7.1870 7.3777 7.3777 7.7121 7.7121 9.0483 9.0483 9.7960 9.7960 9.9662 9.9662 10.4472 10.4472 10.6802 10.6802 k = 0.0000 0.0000 0.5515 ( 4052 PWs) bands (ev): 4.4041 4.4041 4.5920 4.5920 5.0636 5.0636 5.3116 5.3116 5.3418 5.3418 5.5421 5.5421 6.1723 6.1723 6.2263 6.2263 6.8253 6.8253 7.2051 7.2051 7.3713 7.3713 7.7795 7.7795 8.9621 8.9621 9.8731 9.8731 9.9444 9.9444 10.5146 10.5146 10.6561 10.6561 k = 0.0000 0.0000 0.5331 ( 4050 PWs) bands (ev): 4.3496 4.3496 4.5782 4.5782 5.0351 5.0351 5.3018 5.3018 5.3403 5.3403 5.5806 5.5806 6.1642 6.1642 6.2302 6.2302 6.7913 6.7913 7.2126 7.2126 7.3739 7.3739 7.8482 7.8482 8.8832 8.8832 9.8879 9.8879 9.9914 9.9914 10.5604 10.5604 10.6555 10.6555 k = 0.0000 0.0000 0.5147 ( 4050 PWs) bands (ev): 4.2893 4.2893 4.5617 4.5617 5.0088 5.0088 5.2884 5.2884 5.3392 5.3392 5.6174 5.6174 6.1558 6.1558 6.2343 6.2343 6.7613 6.7613 7.2124 7.2124 7.3815 7.3815 7.9143 7.9143 8.8159 8.8159 9.8765 9.8765 10.0713 10.0713 10.5599 10.5599 10.7029 10.7029 k = 0.0000 0.0000 0.4963 ( 4050 PWs) bands (ev): 4.2239 4.2239 4.5439 4.5439 4.9837 4.9837 5.2728 5.2728 5.3377 5.3377 5.6512 5.6512 6.1473 6.1473 6.2391 6.2391 6.7354 6.7354 7.2084 7.2084 7.3895 7.3895 7.9714 7.9714 8.7662 8.7662 9.8712 9.8712 10.1521 10.1521 10.5411 10.5411 10.7698 10.7698 k = 0.0000 0.0000 0.4780 ( 4048 PWs) bands (ev): 4.1543 4.1543 4.5258 4.5258 4.9590 4.9590 5.2554 5.2554 5.3356 5.3356 5.6805 5.6805 6.1391 6.1391 6.2452 6.2452 6.7138 6.7138 7.2028 7.2028 7.3950 7.3950 8.0112 8.0112 8.7422 8.7422 9.8751 9.8751 10.2305 10.2305 10.5208 10.5208 10.8393 10.8393 k = 0.0000 0.0000 0.4596 ( 4054 PWs) bands (ev): 4.0817 4.0817 4.5083 4.5083 4.9340 4.9340 5.2363 5.2363 5.3328 5.3328 5.7039 5.7039 6.1315 6.1315 6.2536 6.2536 6.6964 6.6964 7.1971 7.1971 7.3965 7.3965 8.0264 8.0264 8.7508 8.7508 9.8889 9.8889 10.3046 10.3046 10.5032 10.5032 10.9069 10.9069 k = 0.0000 0.0000 0.4412 ( 4050 PWs) bands (ev): 4.0070 4.0070 4.4918 4.4918 4.9085 4.9085 5.2157 5.2157 5.3292 5.3292 5.7201 5.7201 6.1245 6.1245 6.2655 6.2655 6.6833 6.6833 7.1915 7.1915 7.3937 7.3937 8.0155 8.0155 8.7934 8.7934 9.9127 9.9127 10.3713 10.3713 10.4923 10.4923 10.9681 10.9681 k = 0.0000 0.0000 0.4228 ( 4050 PWs) bands (ev): 3.9311 3.9311 4.4769 4.4769 4.8822 4.8822 5.1939 5.1939 5.3247 5.3247 5.7280 5.7280 6.1179 6.1179 6.2819 6.2819 6.6741 6.6741 7.1859 7.1859 7.3866 7.3866 7.9839 7.9839 8.8639 8.8639 9.9463 9.9463 10.4178 10.4178 10.5008 10.5008 11.0063 11.0063 k = 0.0000 0.0000 0.4044 ( 4046 PWs) bands (ev): 3.8548 3.8548 4.4636 4.4636 4.8552 4.8552 5.1710 5.1710 5.3192 5.3192 5.7277 5.7277 6.1111 6.1111 6.3035 6.3035 6.6688 6.6688 7.1799 7.1799 7.3763 7.3763 7.9394 7.9394 8.9543 8.9543 9.9889 9.9889 10.4300 10.4300 10.5428 10.5428 11.0187 11.0187 k = 0.0000 0.0000 0.3860 ( 4045 PWs) bands (ev): 3.7788 3.7788 4.4524 4.4524 4.8275 4.8275 5.1471 5.1471 5.3126 5.3126 5.7196 5.7196 6.1034 6.1034 6.3301 6.3301 6.6670 6.6670 7.1727 7.1727 7.3638 7.3638 7.8887 7.8887 9.0575 9.0575 10.0401 10.0401 10.4287 10.4287 10.5971 10.5971 11.0252 11.0252 k = 0.0000 0.0000 0.3677 ( 4045 PWs) bands (ev): 3.7037 3.7037 4.4432 4.4432 4.7993 4.7993 5.1226 5.1226 5.3048 5.3048 5.7050 5.7050 6.0947 6.0947 6.3604 6.3604 6.6685 6.6685 7.1638 7.1638 7.3507 7.3507 7.8360 7.8360 9.1684 9.1684 10.0988 10.0988 10.4271 10.4271 10.6501 10.6501 11.0312 11.0312 k = 0.0000 0.0000 0.3493 ( 4045 PWs) bands (ev): 3.6300 3.6300 4.4361 4.4361 4.7708 4.7708 5.0976 5.0976 5.2958 5.2958 5.6852 5.6852 6.0849 6.0849 6.3929 6.3929 6.6731 6.6731 7.1525 7.1525 7.3385 7.3385 7.7842 7.7842 9.2835 9.2835 10.1640 10.1640 10.4283 10.4283 10.6977 10.6977 11.0387 11.0387 k = 0.0000 0.0000 0.3309 ( 4049 PWs) bands (ev): 3.5582 3.5582 4.4313 4.4313 4.7423 4.7423 5.0724 5.0724 5.2855 5.2855 5.6611 5.6611 6.0742 6.0742 6.4256 6.4256 6.6804 6.6804 7.1388 7.1388 7.3284 7.3284 7.7351 7.7351 9.4002 9.4002 10.2341 10.2341 10.4343 10.4343 10.7375 10.7375 11.0496 11.0496 k = 0.0000 0.0000 0.3125 ( 4049 PWs) bands (ev): 3.4887 3.4887 4.4288 4.4288 4.7139 4.7139 5.0472 5.0472 5.2738 5.2738 5.6339 5.6339 6.0633 6.0633 6.4566 6.4566 6.6896 6.6896 7.1237 7.1237 7.3211 7.3211 7.6898 7.6898 9.5163 9.5163 10.3061 10.3061 10.4473 10.4473 10.7681 10.7681 11.0653 11.0653 k = 0.0000 0.0000 0.2941 ( 4043 PWs) bands (ev): 3.4217 3.4217 4.4287 4.4287 4.6859 4.6859 5.0223 5.0223 5.2606 5.2606 5.6043 5.6043 6.0524 6.0524 6.4844 6.4844 6.6994 6.6994 7.1094 7.1094 7.3166 7.3166 7.6489 7.6489 9.6298 9.6298 10.3728 10.3728 10.4743 10.4743 10.7887 10.7887 11.0865 11.0865 k = 0.0000 0.0000 0.2757 ( 4035 PWs) bands (ev): 3.3576 3.3576 4.4308 4.4308 4.6585 4.6585 4.9978 4.9978 5.2459 5.2459 5.5731 5.5731 6.0422 6.0422 6.5080 6.5080 6.7074 6.7074 7.0987 7.0987 7.3142 7.3142 7.6130 7.6130 9.7389 9.7389 10.4211 10.4211 10.5269 10.5269 10.8004 10.8004 11.1129 11.1129 k = 0.0000 0.0000 0.2574 ( 4039 PWs) bands (ev): 3.2967 3.2967 4.4353 4.4353 4.6319 4.6319 4.9740 4.9740 5.2296 5.2296 5.5407 5.5407 6.0331 6.0331 6.5270 6.5270 6.7111 6.7111 7.0945 7.0945 7.3133 7.3133 7.5824 7.5824 9.8418 9.8418 10.4539 10.4539 10.6010 10.6010 10.8059 10.8059 11.1429 11.1429 k = 0.0000 0.0000 0.2390 ( 4035 PWs) bands (ev): 3.2391 3.2391 4.4420 4.4420 4.6063 4.6063 4.9510 4.9510 5.2116 5.2116 5.5078 5.5078 6.0256 6.0256 6.5413 6.5413 6.7085 6.7085 7.0988 7.0988 7.3130 7.3130 7.5574 7.5574 9.9371 9.9371 10.4833 10.4833 10.6788 10.6788 10.8119 10.8119 11.1747 11.1747 k = 0.0000 0.0000 0.2206 ( 4033 PWs) bands (ev): 3.1851 3.1851 4.4511 4.4511 4.5818 4.5818 4.9291 4.9291 5.1918 5.1918 5.4750 5.4750 6.0198 6.0198 6.5510 6.5510 6.6996 6.6996 7.1114 7.1114 7.3127 7.3127 7.5384 7.5384 10.0232 10.0232 10.5142 10.5142 10.7343 10.7343 10.8402 10.8402 11.2068 11.2068 k = 0.0000 0.0000 0.2022 ( 4033 PWs) bands (ev): 3.1348 3.1348 4.4623 4.4623 4.5587 4.5587 4.9084 4.9084 5.1701 5.1701 5.4430 5.4430 6.0162 6.0162 6.5553 6.5553 6.6866 6.6866 7.1305 7.1305 7.3118 7.3118 7.5256 7.5256 10.0995 10.0995 10.5476 10.5476 10.7462 10.7462 10.9111 10.9111 11.2382 11.2382 k = 0.0000 0.0000 0.1838 ( 4033 PWs) bands (ev): 3.0884 3.0884 4.4756 4.4756 4.5371 4.5371 4.8891 4.8891 5.1463 5.1463 5.4124 5.4124 6.0147 6.0147 6.5530 6.5530 6.6730 6.6730 7.1532 7.1532 7.3099 7.3099 7.5192 7.5192 10.1659 10.1659 10.5827 10.5827 10.7391 10.7391 10.9994 10.9994 11.2681 11.2681 k = 0.0000 0.0000 0.1654 ( 4033 PWs) bands (ev): 3.0460 3.0460 4.4908 4.4908 4.5171 4.5171 4.8714 4.8714 5.1204 5.1204 5.3839 5.3839 6.0154 6.0154 6.5430 6.5430 6.6626 6.6626 7.1768 7.1768 7.3069 7.3069 7.5189 7.5189 10.2229 10.2229 10.6179 10.6179 10.7267 10.7267 11.0910 11.0910 11.2962 11.2962 k = 0.0000 0.0000 0.1471 ( 4023 PWs) bands (ev): 3.0078 3.0078 4.4983 4.4983 4.5084 4.5084 4.8555 4.8555 5.0924 5.0924 5.3581 5.3581 6.0182 6.0182 6.5255 6.5255 6.6566 6.6566 7.1993 7.1993 7.3032 7.3032 7.5241 7.5241 10.2716 10.2716 10.6504 10.6504 10.7136 10.7136 11.1810 11.1810 11.3226 11.3226 k = 0.0000 0.0000 0.1287 ( 4025 PWs) bands (ev): 2.9738 2.9738 4.4822 4.4822 4.5267 4.5267 4.8416 4.8416 5.0627 5.0627 5.3353 5.3353 6.0228 6.0228 6.5031 6.5031 6.6545 6.6545 7.2189 7.2189 7.2993 7.2993 7.5336 7.5336 10.3134 10.3134 10.6732 10.6732 10.7067 10.7067 11.2646 11.2646 11.3492 11.3492 k = 0.0000 0.0000 0.1103 ( 4027 PWs) bands (ev): 2.9442 2.9442 4.4678 4.4678 4.5463 4.5463 4.8298 4.8298 5.0318 5.0318 5.3157 5.3157 6.0289 6.0289 6.4784 6.4784 6.6545 6.6545 7.2349 7.2349 7.2960 7.2960 7.5461 7.5461 10.3490 10.3490 10.6721 10.6721 10.7199 10.7199 11.3283 11.3283 11.3861 11.3861 k = 0.0000 0.0000 0.0919 ( 4029 PWs) bands (ev): 2.9191 2.9191 4.4555 4.4555 4.5665 4.5665 4.8204 4.8204 5.0004 5.0004 5.2993 5.2993 6.0361 6.0361 6.4537 6.4537 6.6556 6.6556 7.2466 7.2466 7.2939 7.2939 7.5599 7.5599 10.3792 10.3792 10.6613 10.6613 10.7389 10.7389 11.3584 11.3584 11.4307 11.4307 k = 0.0000 0.0000 0.0735 ( 4029 PWs) bands (ev): 2.8984 2.8984 4.4453 4.4453 4.5863 4.5863 4.8137 4.8137 4.9696 4.9696 5.2862 5.2862 6.0437 6.0437 6.4308 6.4308 6.6570 6.6570 7.2538 7.2538 7.2938 7.2938 7.5735 7.5735 10.4041 10.4041 10.6506 10.6506 10.7546 10.7546 11.3730 11.3730 11.4388 11.4388 k = 0.0000 0.0000 0.0551 ( 4029 PWs) bands (ev): 2.8822 2.8822 4.4373 4.4373 4.6047 4.6047 4.8101 4.8101 4.9406 4.9406 5.2761 5.2761 6.0511 6.0511 6.4111 6.4111 6.6584 6.6584 7.2573 7.2573 7.2952 7.2952 7.5856 7.5856 10.4238 10.4238 10.6418 10.6418 10.7659 10.7659 11.3813 11.3813 11.4421 11.4421 k = 0.0000 0.0000 0.0368 ( 4025 PWs) bands (ev): 2.8707 2.8707 4.4315 4.4315 4.6200 4.6200 4.8095 4.8095 4.9155 4.9155 5.2690 5.2690 6.0573 6.0573 6.3958 6.3958 6.6595 6.6595 7.2585 7.2585 7.2972 7.2972 7.5951 7.5951 10.4380 10.4380 10.6354 10.6354 10.7733 10.7733 11.3859 11.3859 11.4449 11.4449 k = 0.0000 0.0000 0.0184 ( 4021 PWs) bands (ev): 2.8637 2.8637 4.4280 4.4280 4.6303 4.6303 4.8111 4.8111 4.8973 4.8973 5.2648 5.2648 6.0615 6.0615 6.3861 6.3861 6.6602 6.6602 7.2588 7.2588 7.2988 7.2988 7.6010 7.6010 10.4466 10.4466 10.6316 10.6316 10.7774 10.7774 11.3881 11.3881 11.4469 11.4469 k = 0.0000 0.0000 0.0000 ( 4021 PWs) bands (ev): 2.8614 2.8614 4.4269 4.4269 4.6339 4.6339 4.8122 4.8122 4.8903 4.8903 5.2634 5.2634 6.0630 6.0630 6.3827 6.3827 6.6604 6.6604 7.2588 7.2588 7.2993 7.2993 7.6031 7.6031 10.4494 10.4494 10.6304 10.6304 10.7787 10.7787 11.3887 11.3887 11.4476 11.4476 k = 0.0000 0.0000 0.0000 ( 4021 PWs) bands (ev): 2.8614 2.8614 4.4269 4.4269 4.6339 4.6339 4.8122 4.8122 4.8903 4.8903 5.2634 5.2634 6.0630 6.0630 6.3827 6.3827 6.6604 6.6604 7.2588 7.2588 7.2993 7.2993 7.6031 7.6031 10.4494 10.4494 10.6304 10.6304 10.7787 10.7787 11.3887 11.3887 11.4476 11.4476 k =-0.0172 0.0062-0.0000 ( 4021 PWs) bands (ev): 2.8634 2.8634 4.4279 4.4279 4.6346 4.6346 4.8111 4.8111 4.8899 4.8899 5.2633 5.2633 6.0615 6.0615 6.3829 6.3829 6.6606 6.6606 7.2564 7.2564 7.3014 7.3014 7.6026 7.6026 10.4504 10.4504 10.6276 10.6276 10.7767 10.7767 11.3922 11.3922 11.4515 11.4515 k =-0.0345 0.0124-0.0000 ( 4025 PWs) bands (ev): 2.8692 2.8692 4.4308 4.4308 4.6366 4.6366 4.8076 4.8076 4.8887 4.8887 5.2631 5.2631 6.0570 6.0570 6.3833 6.3833 6.6612 6.6612 7.2501 7.2501 7.3065 7.3065 7.6010 7.6010 10.4534 10.4534 10.6194 10.6194 10.7710 10.7710 11.4024 11.4024 11.4628 11.4628 k =-0.0517 0.0186-0.0000 ( 4031 PWs) bands (ev): 2.8789 2.8789 4.4357 4.4357 4.6399 4.6399 4.8022 4.8022 4.8867 4.8867 5.2628 5.2628 6.0496 6.0496 6.3840 6.3840 6.6622 6.6622 7.2417 7.2417 7.3129 7.3129 7.5985 7.5985 10.4581 10.4581 10.6058 10.6058 10.7620 10.7620 11.4191 11.4191 11.4812 11.4812 k =-0.0690 0.0248-0.0000 ( 4029 PWs) bands (ev): 2.8924 2.8924 4.4424 4.4424 4.6444 4.6444 4.7949 4.7949 4.8837 4.8837 5.2625 5.2625 6.0394 6.0394 6.3849 6.3849 6.6635 6.6635 7.2319 7.2319 7.3197 7.3197 7.5949 7.5949 10.4640 10.4640 10.5872 10.5872 10.7503 10.7503 11.4420 11.4420 11.5062 11.5062 k =-0.0862 0.0310-0.0000 ( 4027 PWs) bands (ev): 2.9096 2.9096 4.4509 4.4509 4.6498 4.6498 4.7863 4.7863 4.8798 4.8798 5.2622 5.2622 6.0267 6.0267 6.3860 6.3860 6.6651 6.6651 7.2211 7.2211 7.3264 7.3264 7.5905 7.5905 10.4703 10.4703 10.5645 10.5645 10.7367 10.7367 11.4703 11.4703 11.5367 11.5367 k =-0.1034 0.0372-0.0000 ( 4031 PWs) bands (ev): 2.9304 2.9304 4.4611 4.4611 4.6558 4.6558 4.7769 4.7769 4.8749 4.8749 5.2621 5.2621 6.0116 6.0116 6.3872 6.3872 6.6670 6.6670 7.2094 7.2094 7.3325 7.3325 7.5852 7.5852 10.4739 10.4739 10.5407 10.5407 10.7218 10.7218 11.5035 11.5035 11.5718 11.5718 k =-0.1207 0.0435-0.0000 ( 4033 PWs) bands (ev): 2.9546 2.9546 4.4727 4.4727 4.6620 4.6620 4.7673 4.7673 4.8692 4.8692 5.2621 5.2621 5.9944 5.9944 6.3885 6.3885 6.6691 6.6691 7.1966 7.1966 7.3381 7.3381 7.5790 7.5790 10.4655 10.4655 10.5251 10.5251 10.7063 10.7063 11.5408 11.5408 11.6103 11.6103 k =-0.1379 0.0497-0.0000 ( 4029 PWs) bands (ev): 2.9821 2.9821 4.4857 4.4857 4.6674 4.6674 4.7585 4.7585 4.8628 4.8628 5.2625 5.2625 5.9754 5.9754 6.3899 6.3899 6.6713 6.6713 7.1828 7.1828 7.3428 7.3428 7.5722 7.5722 10.4378 10.4378 10.5252 10.5252 10.6906 10.6906 11.5815 11.5815 11.6510 11.6510 k =-0.1552 0.0559-0.0000 ( 4027 PWs) bands (ev): 3.0127 3.0127 4.4998 4.4998 4.6708 4.6708 4.7519 4.7519 4.8558 4.8558 5.2633 5.2633 5.9549 5.9549 6.3914 6.3914 6.6736 6.6736 7.1677 7.1677 7.3466 7.3466 7.5647 7.5647 10.3988 10.3988 10.5329 10.5329 10.6750 10.6750 11.6247 11.6247 11.6921 11.6921 k =-0.1724 0.0621-0.0000 ( 4025 PWs) bands (ev): 3.0460 3.0460 4.5147 4.5147 4.6706 4.6706 4.7488 4.7488 4.8488 4.8488 5.2646 5.2646 5.9331 5.9331 6.3928 6.3928 6.6760 6.6760 7.1511 7.1511 7.3495 7.3495 7.5566 7.5566 10.3546 10.3546 10.5425 10.5425 10.6598 10.6598 11.6698 11.6698 11.7317 11.7317 k =-0.1897 0.0683-0.0000 ( 4021 PWs) bands (ev): 3.0818 3.0818 4.5304 4.5304 4.6662 4.6662 4.7498 4.7498 4.8421 4.8421 5.2667 5.2667 5.9104 5.9104 6.3943 6.3943 6.6785 6.6785 7.1328 7.1328 7.3514 7.3514 7.5479 7.5479 10.3071 10.3071 10.5520 10.5520 10.6450 10.6450 11.7158 11.7158 11.7671 11.7671 k =-0.2069 0.0745-0.0000 ( 4021 PWs) bands (ev): 3.1199 3.1199 4.5464 4.5464 4.6585 4.6585 4.7534 4.7534 4.8368 4.8368 5.2695 5.2695 5.8870 5.8870 6.3956 6.3956 6.6810 6.6810 7.1128 7.1128 7.3522 7.3522 7.5388 7.5388 10.2577 10.2577 10.5602 10.5602 10.6309 10.6309 11.7616 11.7616 11.7938 11.7938 k =-0.2241 0.0807-0.0000 ( 4029 PWs) bands (ev): 3.1597 3.1597 4.5624 4.5624 4.6488 4.6488 4.7570 4.7570 4.8342 4.8342 5.2733 5.2733 5.8632 5.8632 6.3969 6.3969 6.6837 6.6837 7.0908 7.0908 7.3520 7.3520 7.5293 7.5293 10.2071 10.2071 10.5664 10.5664 10.6175 10.6175 11.8011 11.8011 11.8113 11.8113 k =-0.2414 0.0869-0.0000 ( 4029 PWs) bands (ev): 3.2010 3.2010 4.5783 4.5783 4.6385 4.6385 4.7584 4.7584 4.8356 4.8356 5.2780 5.2780 5.8394 5.8394 6.3981 6.3981 6.6863 6.6863 7.0668 7.0668 7.3508 7.3508 7.5195 7.5195 10.1563 10.1563 10.5698 10.5698 10.6050 10.6050 11.7999 11.7999 11.8498 11.8498 k =-0.2586 0.0931-0.0000 ( 4029 PWs) bands (ev): 3.2433 3.2433 4.5936 4.5936 4.6284 4.6284 4.7563 4.7563 4.8416 4.8416 5.2837 5.2837 5.8156 5.8156 6.3992 6.3992 6.6891 6.6891 7.0408 7.0408 7.3486 7.3486 7.5095 7.5095 10.1059 10.1059 10.5692 10.5692 10.5940 10.5940 11.7827 11.7827 11.8868 11.8868 k =-0.2759 0.0993-0.0000 ( 4024 PWs) bands (ev): 3.2860 3.2860 4.6073 4.6073 4.6199 4.6199 4.7513 4.7513 4.8514 4.8514 5.2904 5.2904 5.7923 5.7923 6.4001 6.4001 6.6919 6.6919 7.0129 7.0129 7.3455 7.3455 7.4993 7.4993 10.0564 10.0564 10.5634 10.5634 10.5856 10.5856 11.7598 11.7598 11.9164 11.9164 k =-0.2931 0.1055-0.0000 ( 4032 PWs) bands (ev): 3.3287 3.3287 4.6087 4.6087 4.6237 4.6237 4.7445 4.7445 4.8637 4.8637 5.2980 5.2980 5.7697 5.7697 6.4010 6.4010 6.6947 6.6947 6.9834 6.9834 7.3416 7.3416 7.4891 7.4891 10.0085 10.0085 10.5522 10.5522 10.5799 10.5799 11.7366 11.7366 11.9362 11.9362 k =-0.3103 0.1117-0.0000 ( 4038 PWs) bands (ev): 3.3707 3.3707 4.6023 4.6023 4.6356 4.6356 4.7370 4.7370 4.8774 4.8774 5.3064 5.3064 5.7479 5.7479 6.4018 6.4018 6.6975 6.6975 6.9525 6.9525 7.3370 7.3370 7.4790 7.4790 9.9627 9.9627 10.5376 10.5376 10.5751 10.5751 11.7160 11.7160 11.9444 11.9444 k =-0.3276 0.1180-0.0000 ( 4040 PWs) bands (ev): 3.4116 3.4116 4.5970 4.5970 4.6464 4.6464 4.7293 4.7293 4.8917 4.8917 5.3153 5.3153 5.7273 5.7273 6.4025 6.4025 6.7002 6.7002 6.9208 6.9208 7.3317 7.3317 7.4691 7.4691 9.9195 9.9195 10.5207 10.5207 10.5706 10.5706 11.6991 11.6991 11.9420 11.9420 k =-0.3448 0.1242-0.0000 ( 4038 PWs) bands (ev): 3.4506 3.4506 4.5933 4.5933 4.6557 4.6557 4.7221 4.7221 4.9059 4.9059 5.3246 5.3246 5.7080 5.7080 6.4032 6.4032 6.7025 6.7025 6.8890 6.8890 7.3261 7.3261 7.4597 7.4597 9.8792 9.8792 10.5022 10.5022 10.5664 10.5664 11.6857 11.6857 11.9312 11.9312 k =-0.3621 0.1304-0.0000 ( 4036 PWs) bands (ev): 3.4871 3.4871 4.5913 4.5913 4.6631 4.6631 4.7158 4.7158 4.9199 4.9199 5.3338 5.3338 5.6903 5.6903 6.4040 6.4040 6.7044 6.7044 6.8578 6.8578 7.3201 7.3201 7.4508 7.4508 9.8422 9.8422 10.4828 10.4828 10.5627 10.5627 11.6754 11.6754 11.9155 11.9155 k =-0.3793 0.1366-0.0000 ( 4054 PWs) bands (ev): 3.5207 3.5207 4.5909 4.5909 4.6683 4.6683 4.7110 4.7110 4.9331 4.9331 5.3427 5.3427 5.6743 5.6743 6.4048 6.4048 6.7051 6.7051 6.8284 6.8284 7.3141 7.3141 7.4425 7.4425 9.8088 9.8088 10.4632 10.4632 10.5595 10.5595 11.6673 11.6673 11.8980 11.8980 k =-0.3966 0.1428-0.0000 ( 4062 PWs) bands (ev): 3.5508 3.5508 4.5919 4.5919 4.6710 4.6710 4.7080 4.7080 4.9453 4.9453 5.3509 5.3509 5.6603 5.6603 6.4058 6.4058 6.7042 6.7042 6.8023 6.8023 7.3083 7.3083 7.4350 7.4350 9.7793 9.7793 10.4443 10.4443 10.5568 10.5568 11.6607 11.6607 11.8811 11.8811 k =-0.4138 0.1490-0.0000 ( 4056 PWs) bands (ev): 3.5769 3.5769 4.5939 4.5939 4.6715 4.6715 4.7068 4.7068 4.9563 4.9563 5.3580 5.3580 5.6483 5.6483 6.4068 6.4068 6.7005 6.7005 6.7812 6.7812 7.3028 7.3028 7.4285 7.4285 9.7539 9.7539 10.4269 10.4269 10.5547 10.5547 11.6550 11.6550 11.8664 11.8664 k =-0.4310 0.1552-0.0000 ( 4060 PWs) bands (ev): 3.5986 3.5986 4.5966 4.5966 4.6706 4.6706 4.7068 4.7068 4.9657 4.9657 5.3640 5.3640 5.6386 5.6386 6.4080 6.4080 6.6932 6.6932 6.7666 6.7666 7.2979 7.2979 7.4230 7.4230 9.7329 9.7329 10.4116 10.4116 10.5531 10.5531 11.6498 11.6498 11.8546 11.8546 k =-0.4483 0.1614-0.0000 ( 4064 PWs) bands (ev): 3.6158 3.6158 4.5994 4.5994 4.6691 4.6691 4.7074 4.7074 4.9733 4.9733 5.3686 5.3686 5.6311 5.6311 6.4090 6.4090 6.6837 6.6837 6.7581 6.7581 7.2938 7.2938 7.4186 7.4186 9.7163 9.7163 10.3990 10.3990 10.5519 10.5519 11.6453 11.6453 11.8459 11.8459 k =-0.4655 0.1676-0.0000 ( 4060 PWs) bands (ev): 3.6282 3.6282 4.6019 4.6019 4.6678 4.6678 4.7079 4.7079 4.9789 4.9789 5.3718 5.3718 5.6258 5.6258 6.4100 6.4100 6.6743 6.6743 6.7540 6.7540 7.2908 7.2908 7.4155 7.4155 9.7044 9.7044 10.3898 10.3898 10.5511 10.5511 11.6416 11.6416 11.8402 11.8402 k =-0.4828 0.1738-0.0000 ( 4054 PWs) bands (ev): 3.6357 3.6357 4.6036 4.6036 4.6668 4.6668 4.7083 4.7083 4.9824 4.9824 5.3737 5.3737 5.6226 5.6226 6.4107 6.4107 6.6678 6.6678 6.7521 6.7521 7.2889 7.2889 7.4135 7.4135 9.6973 9.6973 10.3840 10.3840 10.5506 10.5506 11.6392 11.6392 11.8370 11.8370 k =-0.5000 0.1800-0.0000 ( 4048 PWs) bands (ev): 3.6382 3.6382 4.6042 4.6042 4.6665 4.6665 4.7084 4.7084 4.9836 4.9836 5.3743 5.3743 5.6216 5.6216 6.4109 6.4109 6.6655 6.6655 6.7516 6.7516 7.2883 7.2883 7.4129 7.4129 9.6949 9.6949 10.3821 10.3821 10.5505 10.5505 11.6384 11.6384 11.8359 11.8359 k =-0.5000 0.1800-0.0000 ( 4048 PWs) bands (ev): 3.6382 3.6382 4.6042 4.6042 4.6665 4.6665 4.7084 4.7084 4.9836 4.9836 5.3743 5.3743 5.6216 5.6216 6.4109 6.4109 6.6655 6.6655 6.7516 6.7516 7.2883 7.2883 7.4129 7.4129 9.6949 9.6949 10.3821 10.3821 10.5505 10.5505 11.6384 11.6384 11.8359 11.8359 k =-0.4938 0.1973-0.0000 ( 4052 PWs) bands (ev): 3.6394 3.6394 4.6048 4.6048 4.6687 4.6687 4.7092 4.7092 4.9838 4.9838 5.3748 5.3748 5.6220 5.6220 6.4100 6.4100 6.6592 6.6592 6.7595 6.7595 7.2880 7.2880 7.4141 7.4141 9.6954 9.6954 10.3776 10.3776 10.5496 10.5496 11.6387 11.6387 11.8360 11.8360 k =-0.4876 0.2146-0.0000 ( 4048 PWs) bands (ev): 3.6430 3.6430 4.6068 4.6068 4.6750 4.6750 4.7115 4.7115 4.9845 4.9845 5.3764 5.3764 5.6232 5.6232 6.4074 6.4074 6.6448 6.6448 6.7785 6.7785 7.2874 7.2874 7.4177 7.4177 9.6968 9.6968 10.3641 10.3641 10.5471 10.5471 11.6396 11.6396 11.8363 11.8363 k =-0.4813 0.2318-0.0000 ( 4048 PWs) bands (ev): 3.6490 3.6490 4.6103 4.6103 4.6852 4.6852 4.7154 4.7154 4.9857 4.9857 5.3791 5.3791 5.6253 5.6253 6.4031 6.4031 6.6282 6.6282 6.8029 6.8029 7.2863 7.2863 7.4235 7.4235 9.6990 9.6990 10.3418 10.3418 10.5432 10.5432 11.6409 11.6409 11.8368 11.8368 k =-0.4751 0.2491-0.0000 ( 4052 PWs) bands (ev): 3.6573 3.6573 4.6156 4.6156 4.6989 4.6989 4.7210 4.7210 4.9874 4.9874 5.3828 5.3828 5.6282 5.6282 6.3972 6.3972 6.6121 6.6121 6.8298 6.8298 7.2851 7.2851 7.4315 7.4315 9.7019 9.7019 10.3107 10.3107 10.5384 10.5384 11.6425 11.6425 11.8376 11.8376 k =-0.4689 0.2664-0.0000 ( 4038 PWs) bands (ev): 3.6679 3.6679 4.6226 4.6226 4.7151 4.7151 4.7290 4.7290 4.9897 4.9897 5.3875 5.3875 5.6319 5.6319 6.3900 6.3900 6.5976 6.5976 6.8581 6.8581 7.2838 7.2838 7.4415 7.4415 9.7051 9.7051 10.2715 10.2715 10.5330 10.5330 11.6437 11.6437 11.8387 11.8387 k =-0.4627 0.2836-0.0000 ( 4032 PWs) bands (ev): 3.6805 3.6805 4.6316 4.6316 4.7299 4.7299 4.7428 4.7428 4.9924 4.9924 5.3932 5.3932 5.6367 5.6367 6.3818 6.3818 6.5850 6.5850 6.8871 6.8871 7.2825 7.2825 7.4534 7.4534 9.7083 9.7083 10.2249 10.2249 10.5272 10.5272 11.6442 11.6442 11.8403 11.8403 k =-0.4565 0.3009-0.0000 ( 4032 PWs) bands (ev): 3.6953 3.6953 4.6426 4.6426 4.7410 4.7410 4.7646 4.7646 4.9957 4.9957 5.3997 5.3997 5.6423 5.6423 6.3730 6.3730 6.5746 6.5746 6.9163 6.9163 7.2813 7.2813 7.4670 7.4670 9.7109 9.7109 10.1718 10.1718 10.5211 10.5211 11.6431 11.6431 11.8427 11.8427 k =-0.4503 0.3182-0.0000 ( 4028 PWs) bands (ev): 3.7119 3.7119 4.6554 4.6554 4.7516 4.7516 4.7908 4.7908 4.9995 4.9995 5.4073 5.4073 5.6488 5.6488 6.3642 6.3642 6.5662 6.5662 6.9455 6.9455 7.2803 7.2803 7.4823 7.4823 9.7124 9.7124 10.1134 10.1134 10.5147 10.5147 11.6395 11.6395 11.8461 11.8461 k =-0.4440 0.3354-0.0000 ( 4020 PWs) bands (ev): 3.7302 3.7302 4.6700 4.6700 4.7629 4.7629 4.8199 4.8199 5.0039 5.0039 5.4158 5.4158 5.6563 5.6563 6.3560 6.3560 6.5597 6.5597 6.9742 6.9742 7.2796 7.2796 7.4991 7.4991 9.7118 9.7118 10.0511 10.0511 10.5078 10.5078 11.6325 11.6325 11.8509 11.8509 k =-0.4378 0.3527-0.0000 ( 4024 PWs) bands (ev): 3.7501 3.7501 4.6862 4.6862 4.7748 4.7748 4.8515 4.8515 5.0088 5.0088 5.4254 5.4254 5.6647 5.6647 6.3489 6.3489 6.5549 6.5549 7.0023 7.0023 7.2792 7.2792 7.5176 7.5176 9.7077 9.7077 9.9872 9.9872 10.5001 10.5001 11.6209 11.6209 11.8574 11.8574 k =-0.4316 0.3700-0.0000 ( 4024 PWs) bands (ev): 3.7714 3.7714 4.7041 4.7041 4.7873 4.7873 4.8853 4.8853 5.0144 5.0144 5.4362 5.4362 5.6738 5.6738 6.3436 6.3436 6.5516 6.5516 7.0293 7.0293 7.2794 7.2794 7.5376 7.5376 9.6973 9.6973 9.9250 9.9250 10.4909 10.4909 11.6038 11.6038 11.8657 11.8657 k =-0.4254 0.3872-0.0000 ( 4018 PWs) bands (ev): 3.7940 3.7940 4.7234 4.7234 4.8002 4.8002 4.9209 4.9209 5.0205 5.0205 5.4485 5.4485 5.6837 5.6837 6.3404 6.3404 6.5498 6.5498 7.0548 7.0548 7.2803 7.2803 7.5592 7.5592 9.6759 9.6759 9.8700 9.8700 10.4793 10.4793 11.5802 11.5802 11.8759 11.8759 k =-0.4192 0.4045-0.0000 ( 4018 PWs) bands (ev): 3.8175 3.8175 4.7439 4.7439 4.8134 4.8134 4.9579 4.9579 5.0272 5.0272 5.4624 5.4624 5.6942 5.6942 6.3398 6.3398 6.5493 6.5493 7.0785 7.0785 7.2821 7.2821 7.5823 7.5823 9.6375 9.6375 9.8290 9.8290 10.4642 10.4642 11.5493 11.5493 11.8877 11.8877 k =-0.4130 0.4218-0.0000 ( 4028 PWs) bands (ev): 3.8419 3.8419 4.7654 4.7654 4.8268 4.8268 4.9958 4.9958 5.0346 5.0346 5.4783 5.4783 5.7051 5.7051 6.3421 6.3421 6.5500 6.5500 7.0999 7.0999 7.2852 7.2852 7.6070 7.6070 9.5813 9.5813 9.8037 9.8037 10.4440 10.4440 11.5106 11.5106 11.9007 11.9007 k =-0.4067 0.4390-0.0000 ( 4028 PWs) bands (ev): 3.8670 3.8670 4.7876 4.7876 4.8402 4.8402 5.0332 5.0332 5.0437 5.0437 5.4966 5.4966 5.7165 5.7165 6.3476 6.3476 6.5520 6.5520 7.1182 7.1182 7.2901 7.2901 7.6333 7.6333 9.5130 9.5130 9.7891 9.7891 10.4173 10.4173 11.4635 11.4635 11.9145 11.9145 k =-0.4005 0.4563-0.0000 ( 4026 PWs) bands (ev): 3.8925 3.8925 4.8102 4.8102 4.8536 4.8536 5.0492 5.0492 5.0745 5.0745 5.5177 5.5177 5.7282 5.7282 6.3564 6.3564 6.5553 6.5553 7.1331 7.1331 7.2970 7.2970 7.6611 7.6611 9.4383 9.4383 9.7806 9.7806 10.3824 10.3824 11.4075 11.4075 11.9287 11.9287 k =-0.3943 0.4736-0.0000 ( 4022 PWs) bands (ev): 3.9184 3.9184 4.8324 4.8324 4.8675 4.8675 5.0580 5.0580 5.1127 5.1127 5.5422 5.5422 5.7402 5.7402 6.3686 6.3686 6.5598 6.5598 7.1442 7.1442 7.3062 7.3062 7.6906 7.6906 9.3608 9.3608 9.7754 9.7754 10.3380 10.3380 11.3424 11.3424 11.9429 11.9429 k =-0.3881 0.4908-0.0000 ( 4024 PWs) bands (ev): 3.9444 3.9444 4.8528 4.8528 4.8830 4.8830 5.0666 5.0666 5.1502 5.1502 5.5704 5.5704 5.7524 5.7524 6.3839 6.3839 6.5657 6.5657 7.1514 7.1514 7.3178 7.3178 7.7216 7.7216 9.2824 9.2824 9.7724 9.7724 10.2830 10.2830 11.2681 11.2681 11.9565 11.9565 k =-0.3819 0.5081-0.0000 ( 4024 PWs) bands (ev): 3.9703 3.9703 4.8695 4.8695 4.9016 4.9016 5.0751 5.0751 5.1866 5.1866 5.6026 5.6026 5.7648 5.7648 6.4024 6.4024 6.5731 6.5731 7.1551 7.1551 7.3312 7.3312 7.7541 7.7541 9.2044 9.2044 9.7712 9.7712 10.2170 10.2170 11.1847 11.1847 11.9692 11.9692 k =-0.3757 0.5254-0.0000 ( 4030 PWs) bands (ev): 3.9961 3.9961 4.8823 4.8823 4.9233 4.9233 5.0834 5.0834 5.2216 5.2216 5.6389 5.6389 5.7774 5.7774 6.4235 6.4235 6.5822 6.5822 7.1558 7.1558 7.3461 7.3461 7.7880 7.7880 9.1277 9.1277 9.7713 9.7713 10.1405 10.1405 11.0923 11.0923 11.9804 11.9804 k =-0.3694 0.5426-0.0000 ( 4032 PWs) bands (ev): 4.0217 4.0217 4.8922 4.8922 4.9469 4.9469 5.0913 5.0913 5.2551 5.2551 5.6793 5.6793 5.7901 5.7901 6.4468 6.4468 6.5934 6.5934 7.1539 7.1539 7.3618 7.3618 7.8232 7.8232 9.0529 9.0529 9.7718 9.7718 10.0548 10.0548 10.9916 10.9916 11.9895 11.9895 k =-0.3632 0.5599-0.0000 ( 4026 PWs) bands (ev): 4.0468 4.0468 4.9002 4.9002 4.9711 4.9711 5.0986 5.0986 5.2871 5.2871 5.7236 5.7236 5.8029 5.8029 6.4714 6.4714 6.6071 6.6071 7.1499 7.1499 7.3780 7.3780 7.8597 7.8597 8.9807 8.9807 9.7697 9.7697 9.9643 9.9643 10.8832 10.8832 11.9959 11.9959 k =-0.3570 0.5771-0.0000 ( 4034 PWs) bands (ev): 4.0715 4.0715 4.9069 4.9069 4.9954 4.9954 5.1053 5.1053 5.3178 5.3178 5.7713 5.7713 5.8159 5.8159 6.4964 6.4964 6.6243 6.6243 7.1442 7.1442 7.3943 7.3943 7.8972 7.8972 8.9117 8.9117 9.7510 9.7510 9.8840 9.8840 10.7680 10.7680 11.9991 11.9991 k =-0.3508 0.5944-0.0000 ( 4030 PWs) bands (ev): 4.0956 4.0956 4.9123 4.9123 5.0194 5.0194 5.1112 5.1112 5.3475 5.3475 5.8218 5.8218 5.8290 5.8290 6.5204 6.5204 6.6458 6.6458 7.1371 7.1371 7.4106 7.4106 7.9356 7.9356 8.8462 8.8462 9.6825 9.6825 9.8486 9.8486 10.6469 10.6469 11.9988 11.9988 k =-0.3446 0.6117-0.0000 ( 4030 PWs) bands (ev): 4.1190 4.1190 4.9168 4.9168 5.0428 5.0428 5.1164 5.1164 5.3762 5.3762 5.8416 5.8416 5.8750 5.8750 6.5425 6.5425 6.6723 6.6723 7.1288 7.1288 7.4267 7.4267 7.9747 7.9747 8.7849 8.7849 9.5750 9.5750 9.8483 9.8483 10.5213 10.5213 11.9947 11.9947 k =-0.3384 0.6289-0.0000 ( 4032 PWs) bands (ev): 4.1418 4.1418 4.9205 4.9205 5.0650 5.0650 5.1212 5.1212 5.4042 5.4042 5.8543 5.8543 5.9299 5.9299 6.5621 6.5621 6.7038 6.7038 7.1196 7.1196 7.4426 7.4426 8.0143 8.0143 8.7282 8.7282 9.4532 9.4532 9.8591 9.8591 10.3928 10.3928 11.9870 11.9870 k =-0.3321 0.6462-0.0000 ( 4036 PWs) bands (ev): 4.1637 4.1637 4.9234 4.9234 5.0852 5.0852 5.1261 5.1261 5.4316 5.4316 5.8667 5.8667 5.9861 5.9861 6.5793 6.5793 6.7395 6.7395 7.1097 7.1097 7.4582 7.4582 8.0542 8.0542 8.6765 8.6765 9.3248 9.3248 9.8726 9.8726 10.2646 10.2646 11.9760 11.9760 k =-0.3259 0.6635-0.0000 ( 4032 PWs) bands (ev): 4.1848 4.1848 4.9256 4.9256 5.1012 5.1012 5.1334 5.1334 5.4585 5.4585 5.8787 5.8787 6.0431 6.0431 6.5946 6.5946 6.7783 6.7783 7.0996 7.0996 7.4735 7.4735 8.0939 8.0939 8.6303 8.6303 9.1927 9.1927 9.8797 9.8797 10.1450 10.1450 11.9621 11.9621 k =-0.3197 0.6807-0.0000 ( 4028 PWs) bands (ev): 4.2049 4.2049 4.9274 4.9274 5.1101 5.1101 5.1456 5.1456 5.4849 5.4849 5.8902 5.8902 6.1007 6.1007 6.6084 6.6084 6.8185 6.8185 7.0899 7.0899 7.4885 7.4885 8.1330 8.1330 8.5900 8.5900 9.0589 9.0589 9.8538 9.8538 10.0610 10.0610 11.9458 11.9458 k =-0.3135 0.6980-0.0000 ( 4030 PWs) bands (ev): 4.2240 4.2240 4.9287 4.9287 5.1129 5.1129 5.1618 5.1618 5.5108 5.5108 5.9011 5.9011 6.1583 6.1583 6.6211 6.6211 6.8579 6.8579 7.0819 7.0819 7.5032 7.5032 8.1707 8.1707 8.5563 8.5563 8.9251 8.9251 9.7643 9.7643 10.0438 10.0438 11.9278 11.9278 k =-0.3073 0.7153-0.0000 ( 4032 PWs) bands (ev): 4.2421 4.2421 4.9297 4.9297 5.1124 5.1124 5.1791 5.1791 5.5363 5.5363 5.9113 5.9113 6.2158 6.2158 6.6327 6.6327 6.8932 6.8932 7.0781 7.0781 7.5178 7.5178 8.2053 8.2053 8.5296 8.5296 8.7935 8.7935 9.6398 9.6398 10.0655 10.0655 11.9087 11.9087 k =-0.3011 0.7325-0.0000 ( 4032 PWs) bands (ev): 4.2589 4.2589 4.9304 4.9304 5.1097 5.1097 5.1961 5.1961 5.5614 5.5614 5.9207 5.9207 6.2727 6.2727 6.6434 6.6434 6.9195 6.9195 7.0828 7.0828 7.5321 7.5321 8.2334 8.2334 8.5110 8.5110 8.6677 8.6677 9.5050 9.5050 10.1021 10.1021 11.8891 11.8891 k =-0.2948 0.7498-0.0000 ( 4032 PWs) bands (ev): 4.2744 4.2744 4.9309 4.9309 5.1053 5.1053 5.2124 5.2124 5.5860 5.5860 5.9293 5.9293 6.3290 6.3290 6.6529 6.6529 6.9319 6.9319 7.1000 7.1000 7.5463 7.5463 8.2466 8.2466 8.5005 8.5005 8.5568 8.5568 9.3675 9.3675 10.1467 10.1467 11.8696 11.8696 k =-0.2886 0.7671-0.0000 ( 4028 PWs) bands (ev): 4.2885 4.2885 4.9314 4.9314 5.0993 5.0993 5.2278 5.2278 5.6102 5.6102 5.9370 5.9370 6.3843 6.3843 6.6612 6.6612 6.9310 6.9310 7.1284 7.1284 7.5602 7.5602 8.2262 8.2262 8.4683 8.4683 8.5106 8.5106 9.2306 9.2306 10.1972 10.1972 11.8505 11.8505 k =-0.2824 0.7843-0.0000 ( 4018 PWs) bands (ev): 4.3009 4.3009 4.9317 4.9317 5.0918 5.0918 5.2422 5.2422 5.6339 5.6339 5.9438 5.9438 6.4384 6.4384 6.6678 6.6678 6.9212 6.9212 7.1628 7.1628 7.5737 7.5737 8.1570 8.1570 8.4347 8.4347 8.5242 8.5242 9.0962 9.0962 10.2525 10.2525 11.8324 11.8324 k =-0.2824 0.7843-0.0000 ( 4018 PWs) bands (ev): 4.3009 4.3009 4.9317 4.9317 5.0918 5.0918 5.2422 5.2422 5.6339 5.6339 5.9438 5.9438 6.4384 6.4384 6.6678 6.6678 6.9212 6.9212 7.1628 7.1628 7.5737 7.5737 8.1570 8.1570 8.4347 8.4347 8.5242 8.5242 9.0962 9.0962 10.2525 10.2525 11.8324 11.8324 k =-0.2824 0.7843 0.0184 ( 4028 PWs) bands (ev): 4.2998 4.2998 4.9320 4.9320 5.0911 5.0911 5.2417 5.2417 5.6334 5.6334 5.9456 5.9456 6.4389 6.4389 6.6718 6.6718 6.9200 6.9200 7.1624 7.1624 7.5722 7.5722 8.1543 8.1543 8.3928 8.3928 8.5657 8.5657 9.1020 9.1020 10.2506 10.2506 11.8307 11.8307 k =-0.2824 0.7843 0.0368 ( 4030 PWs) bands (ev): 4.2965 4.2965 4.9326 4.9326 5.0891 5.0891 5.2404 5.2404 5.6319 5.6319 5.9507 5.9507 6.4408 6.4408 6.6835 6.6835 6.9165 6.9165 7.1610 7.1610 7.5676 7.5676 8.1420 8.1420 8.3324 8.3324 8.6287 8.6287 9.1197 9.1197 10.2449 10.2449 11.8254 11.8254 k =-0.2824 0.7843 0.0551 ( 4038 PWs) bands (ev): 4.2912 4.2912 4.9335 4.9335 5.0859 5.0859 5.2386 5.2386 5.6298 5.6298 5.9584 5.9584 6.4447 6.4447 6.7016 6.7016 6.9111 6.9111 7.1588 7.1588 7.5603 7.5603 8.1076 8.1076 8.2914 8.2914 8.6878 8.6878 9.1491 9.1491 10.2360 10.2360 11.8163 11.8163 k =-0.2824 0.7843 0.0735 ( 4030 PWs) bands (ev): 4.2839 4.2839 4.9343 4.9343 5.0815 5.0815 5.2366 5.2366 5.6275 5.6275 5.9680 5.9680 6.4515 6.4515 6.7244 6.7244 6.9045 6.9045 7.1559 7.1559 7.5508 7.5508 8.0463 8.0463 8.2781 8.2781 8.7391 8.7391 9.1895 9.1895 10.2245 10.2245 11.8029 11.8029 k =-0.2824 0.7843 0.0919 ( 4034 PWs) bands (ev): 4.2750 4.2750 4.9345 4.9345 5.0761 5.0761 5.2349 5.2349 5.6253 5.6253 5.9784 5.9784 6.4619 6.4619 6.7489 6.7489 6.8989 6.8989 7.1526 7.1526 7.5392 7.5392 7.9697 7.9697 8.2824 8.2824 8.7826 8.7826 9.2390 9.2390 10.2111 10.2111 11.7848 11.7848 k =-0.2824 0.7843 0.1103 ( 4030 PWs) bands (ev): 4.2645 4.2645 4.9335 4.9335 5.0703 5.0703 5.2338 5.2338 5.6237 5.6237 5.9889 5.9889 6.4762 6.4762 6.7697 6.7697 6.8986 6.8986 7.1490 7.1490 7.5260 7.5260 7.8882 7.8882 8.2945 8.2945 8.8198 8.8198 9.2949 9.2949 10.1970 10.1970 11.7616 11.7616 k =-0.2824 0.7843 0.1287 ( 4026 PWs) bands (ev): 4.2529 4.2529 4.9305 4.9305 5.0647 5.0647 5.2336 5.2336 5.6226 5.6226 5.9990 5.9990 6.4945 6.4945 6.7791 6.7791 6.9108 6.9108 7.1452 7.1452 7.5112 7.5112 7.8069 7.8069 8.3099 8.3099 8.8527 8.8527 9.3544 9.3544 10.1834 10.1834 11.7332 11.7332 k =-0.2824 0.7843 0.1471 ( 4035 PWs) bands (ev): 4.2403 4.2403 4.9248 4.9248 5.0601 5.0601 5.2344 5.2344 5.6221 5.6221 6.0085 6.0085 6.5162 6.5162 6.7738 6.7738 6.9380 6.9380 7.1415 7.1415 7.4941 7.4941 7.7294 7.7294 8.3260 8.3260 8.8830 8.8830 9.4150 9.4150 10.1713 10.1713 11.6998 11.6998 k =-0.2824 0.7843 0.1654 ( 4035 PWs) bands (ev): 4.2271 4.2271 4.9159 4.9159 5.0569 5.0569 5.2364 5.2364 5.6222 5.6222 6.0174 6.0174 6.5406 6.5406 6.7580 6.7580 6.9754 6.9754 7.1379 7.1379 7.4736 7.4736 7.6593 7.6593 8.3412 8.3412 8.9124 8.9124 9.4747 9.4747 10.1621 10.1621 11.6616 11.6616 k =-0.2824 0.7843 0.1838 ( 4033 PWs) bands (ev): 4.2135 4.2135 4.9039 4.9039 5.0552 5.0552 5.2395 5.2395 5.6227 5.6227 6.0259 6.0259 6.5664 6.5664 6.7364 6.7364 7.0175 7.0175 7.1346 7.1346 7.4468 7.4468 7.6014 7.6014 8.3544 8.3544 8.9420 8.9420 9.5323 9.5323 10.1568 10.1568 11.6194 11.6194 k =-0.2824 0.7843 0.2022 ( 4036 PWs) bands (ev): 4.1998 4.1998 4.8891 4.8891 5.0549 5.0549 5.2436 5.2436 5.6236 5.6236 6.0341 6.0341 6.5915 6.5915 6.7128 6.7128 7.0594 7.0594 7.1323 7.1323 7.4120 7.4120 7.5602 7.5602 8.3646 8.3646 8.9724 8.9724 9.5869 9.5869 10.1565 10.1565 11.5737 11.5737 k =-0.2824 0.7843 0.2206 ( 4029 PWs) bands (ev): 4.1862 4.1862 4.8719 4.8719 5.0555 5.0555 5.2486 5.2486 5.6247 5.6247 6.0424 6.0424 6.6102 6.6102 6.6928 6.6928 7.0934 7.0934 7.1342 7.1342 7.3729 7.3729 7.5360 7.5360 8.3711 8.3711 9.0044 9.0044 9.6382 9.6382 10.1619 10.1619 11.5255 11.5255 k =-0.2824 0.7843 0.2390 ( 4035 PWs) bands (ev): 4.1731 4.1731 4.8529 4.8529 5.0565 5.0565 5.2544 5.2544 5.6260 5.6260 6.0509 6.0509 6.6094 6.6094 6.6896 6.6896 7.1054 7.1054 7.1476 7.1476 7.3395 7.3395 7.5253 7.5253 8.3738 8.3738 9.0383 9.0383 9.6861 9.6861 10.1735 10.1735 11.4754 11.4754 k =-0.2824 0.7843 0.2574 ( 4025 PWs) bands (ev): 4.1606 4.1606 4.8324 4.8324 5.0574 5.0574 5.2608 5.2608 5.6275 5.6275 6.0597 6.0597 6.5868 6.5868 6.7054 6.7054 7.1013 7.1013 7.1571 7.1571 7.3224 7.3224 7.5267 7.5267 8.3724 8.3724 9.0745 9.0745 9.7309 9.7309 10.1914 10.1914 11.4243 11.4243 k =-0.2824 0.7843 0.2757 ( 4023 PWs) bands (ev): 4.1489 4.1489 4.8109 4.8109 5.0579 5.0579 5.2676 5.2676 5.6292 5.6292 6.0690 6.0690 6.5552 6.5552 6.7272 6.7272 7.0896 7.0896 7.1521 7.1521 7.3225 7.3225 7.5406 7.5406 8.3676 8.3676 9.1130 9.1130 9.7729 9.7729 10.2156 10.2156 11.3728 11.3728 k =-0.2824 0.7843 0.2941 ( 4025 PWs) bands (ev): 4.1382 4.1382 4.7885 4.7885 5.0577 5.0577 5.2744 5.2744 5.6312 5.6312 6.0787 6.0787 6.5205 6.5205 6.7490 6.7490 7.0711 7.0711 7.1420 7.1420 7.3289 7.3289 7.5673 7.5673 8.3602 8.3602 9.1539 9.1539 9.8128 9.8128 10.2457 10.2457 11.3216 11.3216 k =-0.2824 0.7843 0.3125 ( 4016 PWs) bands (ev): 4.1287 4.1287 4.7654 4.7654 5.0569 5.0569 5.2811 5.2811 5.6337 5.6337 6.0887 6.0887 6.4848 6.4848 6.7689 6.7689 7.0484 7.0484 7.1338 7.1338 7.3333 7.3333 7.6038 7.6038 8.3518 8.3518 9.1966 9.1966 9.8511 9.8511 10.2810 10.2810 11.2713 11.2713 k =-0.2824 0.7843 0.3309 ( 4022 PWs) bands (ev): 4.1205 4.1205 4.7415 4.7415 5.0553 5.0553 5.2872 5.2872 5.6369 5.6369 6.0989 6.0989 6.4493 6.4493 6.7858 6.7858 7.0255 7.0255 7.1281 7.1281 7.3341 7.3341 7.6453 7.6453 8.3445 8.3445 9.2408 9.2408 9.8886 9.8886 10.3208 10.3208 11.2226 11.2226 k =-0.2824 0.7843 0.3493 ( 4014 PWs) bands (ev): 4.1138 4.1138 4.7169 4.7169 5.0531 5.0531 5.2923 5.2923 5.6411 5.6411 6.1089 6.1089 6.4151 6.4151 6.7991 6.7991 7.0053 7.0053 7.1240 7.1240 7.3323 7.3323 7.6864 7.6864 8.3413 8.3413 9.2856 9.2856 9.9260 9.9260 10.3640 10.3640 11.1762 11.1762 k =-0.2824 0.7843 0.3677 ( 4012 PWs) bands (ev): 4.1088 4.1088 4.6916 4.6916 5.0504 5.0504 5.2960 5.2960 5.6466 5.6466 6.1183 6.1183 6.3829 6.3829 6.8083 6.8083 6.9894 6.9894 7.1210 7.1210 7.3288 7.3288 7.7218 7.7218 8.3456 8.3456 9.3298 9.3298 9.9644 9.9644 10.4094 10.4094 11.1327 11.1327 k =-0.2824 0.7843 0.3860 ( 4014 PWs) bands (ev): 4.1054 4.1054 4.6654 4.6654 5.0475 5.0475 5.2981 5.2981 5.6537 5.6537 6.1266 6.1266 6.3538 6.3538 6.8130 6.8130 6.9787 6.9787 7.1188 7.1188 7.3246 7.3246 7.7473 7.7473 8.3610 8.3610 9.3724 9.3724 10.0044 10.0044 10.4557 10.4557 11.0930 11.0930 k =-0.2824 0.7843 0.4044 ( 4006 PWs) bands (ev): 4.1039 4.1039 4.6385 4.6385 5.0445 5.0445 5.2983 5.2983 5.6624 5.6624 6.1327 6.1327 6.3289 6.3289 6.8132 6.8132 6.9733 6.9733 7.1172 7.1172 7.3200 7.3200 7.7600 7.7600 8.3898 8.3898 9.4119 9.4119 10.0468 10.0468 10.5008 10.5008 11.0583 11.0583 k =-0.2824 0.7843 0.4228 ( 4007 PWs) bands (ev): 4.1042 4.1042 4.6108 4.6108 5.0418 5.0418 5.2964 5.2964 5.6730 5.6730 6.1355 6.1355 6.3092 6.3092 6.8093 6.8093 6.9731 6.9731 7.1162 7.1162 7.3154 7.3154 7.7593 7.7593 8.4323 8.4323 9.4470 9.4470 10.0922 10.0922 10.5427 10.5427 11.0299 11.0299 k =-0.2824 0.7843 0.4412 ( 4007 PWs) bands (ev): 4.1066 4.1066 4.5823 4.5823 5.0395 5.0395 5.2925 5.2925 5.6855 5.6855 6.1340 6.1340 6.2960 6.2960 6.8021 6.8021 6.9772 6.9772 7.1157 7.1157 7.3111 7.3111 7.7469 7.7469 8.4869 8.4869 9.4767 9.4767 10.1408 10.1408 10.5786 10.5786 11.0095 11.0095 k =-0.2824 0.7843 0.4596 ( 4009 PWs) bands (ev): 4.1109 4.1109 4.5531 4.5531 5.0378 5.0378 5.2867 5.2867 5.6996 5.6996 6.1275 6.1275 6.2894 6.2894 6.7925 6.7925 6.9847 6.9847 7.1157 7.1157 7.3072 7.3072 7.7252 7.7252 8.5510 8.5510 9.5000 9.5000 10.1920 10.1920 10.6059 10.6059 10.9987 10.9987 k =-0.2824 0.7843 0.4780 ( 4007 PWs) bands (ev): 4.1173 4.1173 4.5234 4.5234 5.0370 5.0370 5.2793 5.2793 5.7151 5.7151 6.1168 6.1168 6.2887 6.2887 6.7814 6.7814 6.9950 6.9950 7.1162 7.1162 7.3040 7.3040 7.6968 7.6968 8.6219 8.6219 9.5164 9.5164 10.2452 10.2452 10.6228 10.6228 10.9977 10.9977 k =-0.2824 0.7843 0.4963 ( 4003 PWs) bands (ev): 4.1257 4.1257 4.4934 4.4934 5.0369 5.0369 5.2706 5.2706 5.7318 5.7318 6.1031 6.1031 6.2921 6.2921 6.7695 6.7695 7.0074 7.0074 7.1170 7.1170 7.3018 7.3018 7.6639 7.6639 8.6972 8.6972 9.5254 9.5254 10.2987 10.2987 10.6297 10.6297 11.0048 11.0048 k =-0.2824 0.7843 0.5147 ( 4010 PWs) bands (ev): 4.1363 4.1363 4.4631 4.4631 5.0377 5.0377 5.2610 5.2610 5.7494 5.7494 6.0877 6.0877 6.2982 6.2982 6.7572 6.7572 7.0212 7.0212 7.1180 7.1180 7.3011 7.3011 7.6281 7.6281 8.7750 8.7750 9.5271 9.5271 10.3510 10.3510 10.6285 10.6285 11.0162 11.0162 k =-0.2824 0.7843 0.5331 ( 4006 PWs) bands (ev): 4.1489 4.1489 4.4329 4.4329 5.0393 5.0393 5.2511 5.2511 5.7673 5.7673 6.0716 6.0716 6.3056 6.3056 6.7452 6.7452 7.0358 7.0358 7.1191 7.1191 7.3023 7.3023 7.5909 7.5909 8.8535 8.8535 9.5211 9.5211 10.3998 10.3998 10.6222 10.6222 11.0273 11.0273 k =-0.2824 0.7843 0.5515 ( 4009 PWs) bands (ev): 4.1635 4.1635 4.4029 4.4029 5.0415 5.0415 5.2412 5.2412 5.7850 5.7850 6.0556 6.0556 6.3133 6.3133 6.7339 6.7339 7.0506 7.0506 7.1200 7.1200 7.3061 7.3061 7.5532 7.5532 8.9313 8.9313 9.5077 9.5077 10.4433 10.4433 10.6133 10.6133 11.0347 11.0347 k =-0.2824 0.7843 0.5699 ( 4005 PWs) bands (ev): 4.1801 4.1801 4.3735 4.3735 5.0441 5.0441 5.2320 5.2320 5.8020 5.8020 6.0403 6.0403 6.3206 6.3206 6.7238 6.7238 7.0647 7.0647 7.1205 7.1205 7.3132 7.3132 7.5159 7.5159 9.0068 9.0068 9.4870 9.4870 10.4797 10.4797 10.6037 10.6037 11.0373 11.0373 k =-0.2824 0.7843 0.5883 ( 4006 PWs) bands (ev): 4.1987 4.1987 4.3448 4.3448 5.0468 5.0468 5.2240 5.2240 5.8174 5.8174 6.0264 6.0264 6.3269 6.3269 6.7153 6.7153 7.0776 7.0776 7.1203 7.1203 7.3242 7.3242 7.4798 7.4798 9.0780 9.0780 9.4598 9.4598 10.5082 10.5082 10.5947 10.5947 11.0369 11.0369 k =-0.2824 0.7843 0.6066 ( 4006 PWs) bands (ev): 4.2190 4.2190 4.3171 4.3171 5.0490 5.0490 5.2177 5.2177 5.8301 5.8301 6.0149 6.0149 6.3318 6.3318 6.7088 6.7088 7.0883 7.0883 7.1191 7.1191 7.3397 7.3397 7.4456 7.4456 9.1420 9.1420 9.4280 9.4280 10.5285 10.5285 10.5869 10.5869 11.0357 11.0357 k =-0.2824 0.7843 0.6250 ( 4010 PWs) bands (ev): 4.2411 4.2411 4.2905 4.2905 5.0506 5.0506 5.2137 5.2137 5.8387 5.8387 6.0071 6.0071 6.3349 6.3349 6.7048 6.7048 7.0962 7.0962 7.1173 7.1173 7.3595 7.3595 7.4143 7.4143 9.1924 9.1924 9.3973 9.3973 10.5411 10.5411 10.5812 10.5812 11.0348 11.0348 k =-0.2824 0.7843 0.6434 ( 4012 PWs) bands (ev): 4.2623 4.2623 4.2679 4.2679 5.0512 5.0512 5.2123 5.2123 5.8417 5.8417 6.0043 6.0043 6.3360 6.3360 6.7034 6.7034 7.0993 7.0993 7.1161 7.1161 7.3781 7.3781 7.3919 7.3919 9.2137 9.2137 9.3825 9.3825 10.5456 10.5456 10.5789 10.5789 11.0345 11.0345 k =-0.2824 0.7843 0.6434 ( 4012 PWs) bands (ev): 4.2623 4.2623 4.2679 4.2679 5.0512 5.0512 5.2123 5.2123 5.8417 5.8417 6.0043 6.0043 6.3360 6.3360 6.7034 6.7034 7.0993 7.0993 7.1161 7.1161 7.3781 7.3781 7.3919 7.3919 9.2137 9.2137 9.3825 9.3825 10.5456 10.5456 10.5789 10.5789 11.0345 11.0345 k =-0.2886 0.7671 0.6434 ( 4016 PWs) bands (ev): 4.2794 4.2794 4.2857 4.2857 5.0412 5.0412 5.2072 5.2072 5.8422 5.8422 6.0084 6.0084 6.3244 6.3244 6.6997 6.6997 7.0815 7.0815 7.1026 7.1026 7.3834 7.3834 7.4035 7.4035 9.1954 9.1954 9.3567 9.3567 10.5714 10.5714 10.6169 10.6169 11.0361 11.0361 k =-0.2948 0.7498 0.6434 ( 4016 PWs) bands (ev): 4.2980 4.2980 4.3049 4.3049 5.0320 5.0320 5.2025 5.2025 5.8433 5.8433 6.0116 6.0116 6.3125 6.3125 6.6933 6.6933 7.0614 7.0614 7.0874 7.0874 7.3908 7.3908 7.4164 7.4164 9.1711 9.1711 9.3247 9.3247 10.5986 10.5986 10.6577 10.6577 11.0416 11.0416 k =-0.3011 0.7325 0.6434 ( 4016 PWs) bands (ev): 4.3180 4.3180 4.3256 4.3256 5.0235 5.0235 5.1984 5.1984 5.8449 5.8449 6.0137 6.0137 6.3002 6.3002 6.6842 6.6842 7.0403 7.0403 7.0712 7.0712 7.4000 7.4000 7.4305 7.4305 9.1402 9.1402 9.2864 9.2864 10.6273 10.6273 10.7008 10.7008 11.0517 11.0517 k =-0.3073 0.7153 0.6434 ( 4016 PWs) bands (ev): 4.3394 4.3394 4.3475 4.3475 5.0159 5.0159 5.1949 5.1949 5.8469 5.8469 6.0146 6.0146 6.2876 6.2876 6.6722 6.6722 7.0192 7.0192 7.0545 7.0545 7.4104 7.4104 7.4454 7.4454 9.1028 9.1028 9.2419 9.2419 10.6576 10.6576 10.7455 10.7455 11.0671 11.0671 k =-0.3135 0.6980 0.6434 ( 4016 PWs) bands (ev): 4.3621 4.3621 4.3705 4.3705 5.0092 5.0092 5.1921 5.1921 5.8492 5.8492 6.0140 6.0140 6.2745 6.2745 6.6574 6.6574 6.9989 6.9989 7.0379 7.0379 7.4217 7.4217 7.4610 7.4610 9.0588 9.0588 9.1916 9.1916 10.6895 10.6895 10.7909 10.7909 11.0886 11.0886 k =-0.3197 0.6807 0.6434 ( 4020 PWs) bands (ev): 4.3858 4.3858 4.3946 4.3946 5.0035 5.0035 5.1899 5.1899 5.8517 5.8517 6.0114 6.0114 6.2611 6.2611 6.6397 6.6397 6.9803 6.9803 7.0220 7.0220 7.4336 7.4336 7.4772 7.4772 9.0088 9.0088 9.1361 9.1361 10.7229 10.7229 10.8356 10.8356 11.1167 11.1167 k =-0.3259 0.6635 0.6434 ( 4014 PWs) bands (ev): 4.4106 4.4106 4.4195 4.4195 4.9988 4.9988 5.1884 5.1884 5.8542 5.8542 6.0065 6.0065 6.2479 6.2479 6.6194 6.6194 6.9638 6.9638 7.0069 7.0069 7.4459 7.4459 7.4936 7.4936 8.9533 8.9533 9.0762 9.0762 10.7576 10.7576 10.8785 10.8785 11.1523 11.1523 k =-0.3321 0.6462 0.6434 ( 4026 PWs) bands (ev): 4.4361 4.4361 4.4451 4.4451 4.9951 4.9951 5.1877 5.1877 5.8566 5.8566 5.9987 5.9987 6.2351 6.2351 6.5968 6.5968 6.9498 6.9498 6.9930 6.9930 7.4582 7.4582 7.5099 7.5099 8.8933 8.8933 9.0129 9.0129 10.7931 10.7931 10.9183 10.9183 11.1957 11.1957 k =-0.3384 0.6289 0.6434 ( 4026 PWs) bands (ev): 4.4624 4.4624 4.4712 4.4712 4.9926 4.9926 5.1877 5.1877 5.8588 5.8588 5.9877 5.9877 6.2233 6.2233 6.5722 6.5722 6.9386 6.9386 6.9802 6.9802 7.4705 7.4705 7.5259 7.5259 8.8298 8.8298 8.9472 8.9472 10.8290 10.8290 10.9544 10.9544 11.2469 11.2469 k =-0.3446 0.6117 0.6434 ( 4022 PWs) bands (ev): 4.4893 4.4893 4.4976 4.4976 4.9912 4.9912 5.1884 5.1884 5.8607 5.8607 5.9732 5.9732 6.2130 6.2130 6.5462 6.5462 6.9301 6.9301 6.9686 6.9686 7.4822 7.4822 7.5410 7.5410 8.7640 8.7640 8.8804 8.8804 10.8645 10.8645 10.9866 10.9866 11.3054 11.3054 k =-0.3508 0.5944 0.6434 ( 4026 PWs) bands (ev): 4.5165 4.5165 4.5242 4.5242 4.9910 4.9910 5.1898 5.1898 5.8622 5.8622 5.9553 5.9553 6.2043 6.2043 6.5190 6.5190 6.9243 6.9243 6.9582 6.9582 7.4929 7.4929 7.5547 7.5547 8.6973 8.6973 8.8139 8.8139 10.8993 10.8993 11.0149 11.0149 11.3702 11.3702 k =-0.3570 0.5771 0.6434 ( 4026 PWs) bands (ev): 4.5439 4.5439 4.5507 4.5507 4.9919 4.9919 5.1918 5.1918 5.8631 5.8631 5.9342 5.9342 6.1973 6.1973 6.4913 6.4913 6.9211 6.9211 6.9488 6.9488 7.5022 7.5022 7.5663 7.5663 8.6311 8.6311 8.7490 8.7490 10.9325 10.9325 11.0398 11.0398 11.4403 11.4403 k =-0.3632 0.5599 0.6434 ( 4026 PWs) bands (ev): 4.5714 4.5714 4.5769 4.5769 4.9940 4.9940 5.1944 5.1944 5.8634 5.8634 5.9106 5.9106 6.1918 6.1918 6.4634 6.4634 6.9201 6.9201 6.9404 6.9404 7.5091 7.5091 7.5751 7.5751 8.5669 8.5669 8.6872 8.6872 10.9638 10.9638 11.0616 11.0616 11.5146 11.5146 k =-0.3694 0.5426 0.6434 ( 4034 PWs) bands (ev): 4.5987 4.5987 4.6027 4.6027 4.9972 4.9972 5.1976 5.1976 5.8630 5.8630 5.8851 5.8851 6.1876 6.1876 6.4356 6.4356 6.9211 6.9211 6.9329 6.9329 7.5129 7.5129 7.5801 7.5801 8.5066 8.5066 8.6302 8.6302 10.9925 10.9925 11.0805 11.0805 11.5923 11.5923 k =-0.3757 0.5254 0.6434 ( 4030 PWs) bands (ev): 4.6258 4.6258 4.6278 4.6278 5.0016 5.0016 5.2011 5.2011 5.8585 5.8585 5.8620 5.8620 6.1844 6.1844 6.4083 6.4083 6.9238 6.9238 6.9263 6.9263 7.5125 7.5125 7.5802 7.5802 8.4520 8.4520 8.5795 8.5795 11.0184 11.0184 11.0968 11.0968 11.6721 11.6721 k =-0.3819 0.5081 0.6434 ( 4034 PWs) bands (ev): 4.6521 4.6521 4.6524 4.6524 5.0070 5.0070 5.2049 5.2049 5.8314 5.8314 5.8602 5.8602 6.1820 6.1820 6.3816 6.3816 6.9205 6.9205 6.9279 6.9279 7.5066 7.5066 7.5746 7.5746 8.4048 8.4048 8.5366 8.5366 11.0412 11.0412 11.1107 11.1107 11.7526 11.7526 k =-0.3881 0.4908 0.6434 ( 4026 PWs) bands (ev): 4.6754 4.6754 4.6783 4.6783 5.0135 5.0135 5.2087 5.2087 5.8047 5.8047 5.8578 5.8578 6.1800 6.1800 6.3559 6.3559 6.9154 6.9154 6.9331 6.9331 7.4942 7.4942 7.5625 7.5625 8.3667 8.3667 8.5027 8.5027 11.0609 11.0609 11.1223 11.1223 11.8315 11.8315 k =-0.3943 0.4736 0.6434 ( 4026 PWs) bands (ev): 4.6976 4.6976 4.7035 4.7035 5.0208 5.0208 5.2125 5.2125 5.7788 5.7788 5.8548 5.8548 6.1784 6.1784 6.3312 6.3312 6.9111 6.9111 6.9392 6.9392 7.4747 7.4747 7.5437 7.5437 8.3389 8.3389 8.4784 8.4784 11.0774 11.0774 11.1320 11.1320 11.9042 11.9042 k =-0.4005 0.4563 0.6434 ( 4022 PWs) bands (ev): 4.7186 4.7186 4.7276 4.7276 5.0289 5.0289 5.2160 5.2160 5.7545 5.7545 5.8512 5.8512 6.1771 6.1771 6.3077 6.3077 6.9073 6.9073 6.9458 6.9458 7.4481 7.4481 7.5185 7.5185 8.3220 8.3220 8.4638 8.4638 11.0909 11.0909 11.1399 11.1399 11.9619 11.9638 k =-0.4067 0.4390 0.6434 ( 4010 PWs) bands (ev): 4.7383 4.7383 4.7507 4.7507 5.0376 5.0376 5.2189 5.2189 5.7322 5.7322 5.8473 5.8473 6.1759 6.1759 6.2854 6.2854 6.9041 6.9041 6.9527 6.9527 7.4148 7.4148 7.4876 7.4876 8.3155 8.3155 8.4583 8.4583 11.1016 11.1016 11.1463 11.1463 11.9740 11.9740 k =-0.4130 0.4218 0.6434 ( 4014 PWs) bands (ev): 4.7567 4.7567 4.7724 4.7724 5.0468 5.0468 5.2210 5.2210 5.7124 5.7124 5.8430 5.8430 6.1748 6.1748 6.2645 6.2645 6.9012 6.9012 6.9596 6.9596 7.3763 7.3763 7.4523 7.4523 8.3187 8.3187 8.4610 8.4610 11.1098 11.1098 11.1516 11.1516 11.9621 11.9621 k =-0.4192 0.4045 0.6434 ( 4026 PWs) bands (ev): 4.7738 4.7738 4.7927 4.7927 5.0562 5.0562 5.2220 5.2220 5.6955 5.6955 5.8384 5.8384 6.1738 6.1738 6.2449 6.2449 6.8986 6.8986 6.9662 6.9662 7.3341 7.3341 7.4141 7.4141 8.3302 8.3302 8.4704 8.4704 11.1160 11.1160 11.1560 11.1560 11.9329 11.9370 k =-0.4254 0.3872 0.6434 ( 4038 PWs) bands (ev): 4.7896 4.7896 4.8115 4.8115 5.0658 5.0658 5.2219 5.2219 5.6819 5.6819 5.8335 5.8335 6.1729 6.1729 6.2269 6.2269 6.8959 6.8959 6.9720 6.9720 7.2900 7.2900 7.3744 7.3744 8.3485 8.3485 8.4851 8.4851 11.1204 11.1204 11.1598 11.1598 11.8779 11.8779 k =-0.4316 0.3700 0.6434 ( 4042 PWs) bands (ev): 4.8043 4.8043 4.8287 4.8287 5.0753 5.0753 5.2204 5.2204 5.6717 5.6717 5.8285 5.8285 6.1720 6.1720 6.2106 6.2106 6.8931 6.8931 6.9765 6.9765 7.2459 7.2459 7.3348 7.3348 8.3721 8.3721 8.5038 8.5038 11.1236 11.1236 11.1635 11.1635 11.8169 11.8169 k =-0.4378 0.3527 0.6434 ( 4034 PWs) bands (ev): 4.8177 4.8177 4.8441 4.8441 5.0846 5.0846 5.2177 5.2177 5.6650 5.6650 5.8231 5.8231 6.1711 6.1711 6.1960 6.1960 6.8898 6.8898 6.9791 6.9791 7.2037 7.2037 7.2964 7.2964 8.3997 8.3997 8.5251 8.5251 11.1260 11.1260 11.1672 11.1672 11.7537 11.7537 k =-0.4440 0.3354 0.6434 ( 4038 PWs) bands (ev): 4.8301 4.8301 4.8577 4.8577 5.0936 5.0936 5.2137 5.2137 5.6618 5.6618 5.8173 5.8173 6.1702 6.1702 6.1833 6.1833 6.8858 6.8858 6.9784 6.9784 7.1656 7.1656 7.2604 7.2604 8.4298 8.4298 8.5477 8.5477 11.1282 11.1282 11.1715 11.1715 11.6903 11.6903 k =-0.4503 0.3182 0.6434 ( 4034 PWs) bands (ev): 4.8414 4.8414 4.8694 4.8694 5.1021 5.1021 5.2086 5.2086 5.6617 5.6617 5.8109 5.8109 6.1693 6.1693 6.1727 6.1727 6.8810 6.8810 6.9732 6.9732 7.1340 7.1340 7.2276 7.2276 8.4615 8.4615 8.5705 8.5705 11.1305 11.1305 11.1765 11.1765 11.6285 11.6285 k =-0.4565 0.3009 0.6434 ( 4034 PWs) bands (ev): 4.8518 4.8518 4.8792 4.8792 5.1103 5.1103 5.2028 5.2028 5.6645 5.6645 5.8039 5.8039 6.1642 6.1642 6.1683 6.1683 6.8754 6.8754 6.9619 6.9619 7.1109 7.1109 7.1986 7.1986 8.4936 8.4936 8.5925 8.5925 11.1334 11.1334 11.1825 11.1825 11.5695 11.5695 k =-0.4627 0.2836 0.6434 ( 4018 PWs) bands (ev): 4.8612 4.8612 4.8871 4.8871 5.1179 5.1179 5.1964 5.1964 5.6698 5.6698 5.7960 5.7960 6.1578 6.1578 6.1671 6.1671 6.8692 6.8692 6.9451 6.9451 7.0967 7.0967 7.1738 7.1738 8.5250 8.5250 8.6126 8.6126 11.1375 11.1375 11.1897 11.1897 11.5144 11.5144 k =-0.4689 0.2664 0.6434 ( 4014 PWs) bands (ev): 4.8697 4.8697 4.8931 4.8931 5.1252 5.1252 5.1897 5.1897 5.6773 5.6773 5.7873 5.7873 6.1534 6.1534 6.1656 6.1656 6.8626 6.8626 6.9250 6.9250 7.0896 7.0896 7.1531 7.1531 8.5549 8.5549 8.6300 8.6300 11.1431 11.1431 11.1979 11.1979 11.4646 11.4646 k =-0.4751 0.2491 0.6434 ( 4018 PWs) bands (ev): 4.8773 4.8773 4.8973 4.8973 5.1320 5.1320 5.1829 5.1829 5.6864 5.6864 5.7776 5.7776 6.1510 6.1510 6.1639 6.1639 6.8565 6.8565 6.9046 6.9046 7.0871 7.0871 7.1363 7.1363 8.5823 8.5823 8.6438 8.6438 11.1508 11.1508 11.2064 11.2064 11.4216 11.4216 k =-0.4813 0.2318 0.6434 ( 4016 PWs) bands (ev): 4.8840 4.8840 4.8998 4.8998 5.1385 5.1385 5.1762 5.1762 5.6968 5.6968 5.7672 5.7672 6.1503 6.1503 6.1619 6.1619 6.8516 6.8516 6.8861 6.8861 7.0874 7.0874 7.1230 7.1230 8.6064 8.6064 8.6534 8.6534 11.1606 11.1606 11.2137 11.2137 11.3878 11.3878 k =-0.4876 0.2146 0.6434 ( 4008 PWs) bands (ev): 4.8896 4.8896 4.9005 4.9005 5.1448 5.1448 5.1697 5.1697 5.7081 5.7081 5.7560 5.7560 6.1509 6.1509 6.1596 6.1596 6.8487 6.8487 6.8708 6.8708 7.0895 7.0895 7.1125 7.1125 8.6265 8.6265 8.6584 8.6584 11.1728 11.1728 11.2166 11.2166 11.3671 11.3671 k =-0.4938 0.1973 0.6434 ( 4008 PWs) bands (ev): 4.8942 4.8942 4.8998 4.8998 5.1510 5.1510 5.1633 5.1633 5.7200 5.7200 5.7442 5.7442 6.1525 6.1525 6.1571 6.1571 6.8486 6.8486 6.8594 6.8594 7.0931 7.0931 7.1043 7.1043 8.6421 8.6421 8.6582 8.6582 11.1867 11.1867 11.2121 11.2121 11.3629 11.3629 k =-0.5000 0.1800 0.6434 ( 4016 PWs) bands (ev): 4.8976 4.8976 4.8976 4.8976 5.1571 5.1571 5.1571 5.1571 5.7321 5.7321 5.7321 5.7321 6.1546 6.1546 6.1546 6.1546 6.8520 6.8520 6.8520 6.8520 7.0980 7.0980 7.0980 7.0980 8.6528 8.6528 8.6528 8.6528 11.2008 11.2008 11.2008 11.2008 11.3746 11.3746 k =-0.5000 0.1800 0.6434 ( 4016 PWs) bands (ev): 4.8976 4.8976 4.8976 4.8976 5.1571 5.1571 5.1571 5.1571 5.7321 5.7321 5.7321 5.7321 6.1546 6.1546 6.1546 6.1546 6.8520 6.8520 6.8520 6.8520 7.0980 7.0980 7.0980 7.0980 8.6528 8.6528 8.6528 8.6528 11.2008 11.2008 11.2008 11.2008 11.3746 11.3746 k =-0.5000 0.1800 0.6250 ( 4012 PWs) bands (ev): 4.8850 4.8850 4.9067 4.9067 5.1444 5.1444 5.1673 5.1673 5.7086 5.7086 5.7516 5.7516 6.1385 6.1385 6.1728 6.1728 6.8303 6.8303 6.8728 6.8728 7.0670 7.0670 7.1325 7.1325 8.6057 8.6057 8.7005 8.7005 11.1662 11.1662 11.2354 11.2354 11.3538 11.3538 k =-0.5000 0.1800 0.6066 ( 4012 PWs) bands (ev): 4.8698 4.8698 4.9111 4.9111 5.1299 5.1299 5.1749 5.1749 5.6812 5.6812 5.7670 5.7670 6.1250 6.1250 6.1924 6.1924 6.8086 6.8086 6.8890 6.8890 7.0449 7.0449 7.1676 7.1676 8.5607 8.5607 8.7479 8.7479 11.1351 11.1351 11.2628 11.2628 11.3424 11.3424 k =-0.5000 0.1800 0.5883 ( 4010 PWs) bands (ev): 4.8526 4.8526 4.9092 4.9092 5.1144 5.1144 5.1798 5.1798 5.6506 5.6506 5.7789 5.7789 6.1141 6.1141 6.2127 6.2127 6.7859 6.7859 6.8953 6.8953 7.0385 7.0385 7.2014 7.2014 8.5195 8.5195 8.7942 8.7942 11.1095 11.1095 11.2714 11.2714 11.3485 11.3485 k =-0.5000 0.1800 0.5699 ( 4016 PWs) bands (ev): 4.8341 4.8341 4.8992 4.8992 5.0993 5.0993 5.1820 5.1820 5.6178 5.6178 5.7879 5.7879 6.1055 6.1055 6.2333 6.2333 6.7604 6.7604 6.8918 6.8918 7.0486 7.0486 7.2327 7.2327 8.4841 8.4841 8.8390 8.8390 11.0904 11.0904 11.2630 11.2630 11.3687 11.3687 k =-0.5000 0.1800 0.5515 ( 4020 PWs) bands (ev): 4.8146 4.8146 4.8799 4.8799 5.0858 5.0858 5.1816 5.1816 5.5841 5.5841 5.7945 5.7945 6.0985 6.0985 6.2543 6.2543 6.7308 6.7308 6.8854 6.8854 7.0674 7.0674 7.2609 7.2609 8.4570 8.4570 8.8819 8.8819 11.0786 11.0786 11.2487 11.2487 11.3923 11.3923 k =-0.5000 0.1800 0.5331 ( 4020 PWs) bands (ev): 4.7945 4.7945 4.8507 4.8507 5.0744 5.0744 5.1786 5.1786 5.5502 5.5502 5.7992 5.7992 6.0921 6.0921 6.2758 6.2758 6.6977 6.6977 6.8815 6.8815 7.0870 7.0870 7.2855 7.2855 8.4405 8.4405 8.9229 8.9229 11.0741 11.0741 11.2335 11.2335 11.4159 11.4159 k =-0.5000 0.1800 0.5147 ( 4024 PWs) bands (ev): 4.7737 4.7737 4.8129 4.8129 5.0647 5.0647 5.1732 5.1732 5.5171 5.5171 5.8023 5.8023 6.0853 6.0853 6.2981 6.2981 6.6628 6.6628 6.8810 6.8810 7.1022 7.1022 7.3059 7.3059 8.4370 8.4370 8.9620 8.9620 11.0761 11.0761 11.2195 11.2195 11.4392 11.4392 k =-0.5000 0.1800 0.4963 ( 4022 PWs) bands (ev): 4.7498 4.7498 4.7707 4.7707 5.0556 5.0556 5.1655 5.1655 5.4851 5.4851 5.8039 5.8039 6.0772 6.0772 6.3217 6.3217 6.6283 6.6283 6.8833 6.8833 7.1104 7.1104 7.3220 7.3220 8.4483 8.4483 8.9993 8.9993 11.0823 11.0823 11.2096 11.2096 11.4626 11.4626 k =-0.5000 0.1800 0.4780 ( 4020 PWs) bands (ev): 4.7086 4.7086 4.7402 4.7402 5.0465 5.0465 5.1554 5.1554 5.4546 5.4546 5.8041 5.8041 6.0668 6.0668 6.3466 6.3466 6.5959 6.5959 6.8870 6.8870 7.1108 7.1108 7.3332 7.3332 8.4753 8.4753 9.0351 9.0351 11.0874 11.0874 11.2092 11.2092 11.4863 11.4863 k =-0.5000 0.1800 0.4596 ( 4016 PWs) bands (ev): 4.6539 4.6539 4.7194 4.7194 5.0365 5.0365 5.1432 5.1432 5.4256 5.4256 5.8027 5.8027 6.0533 6.0533 6.3728 6.3728 6.5673 6.5673 6.8907 6.8907 7.1041 7.1041 7.3397 7.3397 8.5175 8.5175 9.0696 9.0696 11.0852 11.0852 11.2245 11.2245 11.5106 11.5106 k =-0.5000 0.1800 0.4412 ( 4016 PWs) bands (ev): 4.5948 4.5948 4.7006 4.7006 5.0252 5.0252 5.1288 5.1288 5.3983 5.3983 5.7995 5.7995 6.0363 6.0363 6.4000 6.4000 6.5439 6.5439 6.8927 6.8927 7.0928 7.0928 7.3416 7.3416 8.5737 8.5737 9.1030 9.1030 11.0738 11.0738 11.2569 11.2569 11.5356 11.5356 k =-0.5000 0.1800 0.4228 ( 4022 PWs) bands (ev): 4.5335 4.5335 4.6830 4.6830 5.0126 5.0126 5.1123 5.1123 5.3727 5.3727 5.7944 5.7944 6.0156 6.0156 6.4266 6.4266 6.5275 6.5275 6.8909 6.8909 7.0797 7.0797 7.3394 7.3394 8.6421 8.6421 9.1356 9.1356 11.0560 11.0560 11.3031 11.3031 11.5615 11.5615 k =-0.5000 0.1800 0.4044 ( 4014 PWs) bands (ev): 4.4710 4.4710 4.6666 4.6666 4.9983 4.9983 5.0939 5.0939 5.3487 5.3487 5.7870 5.7870 5.9912 5.9912 6.4491 6.4491 6.5216 6.5216 6.8837 6.8837 7.0683 7.0683 7.3341 7.3341 8.7206 8.7206 9.1677 9.1677 11.0343 11.0343 11.3600 11.3600 11.5883 11.5883 k =-0.5000 0.1800 0.3860 ( 4008 PWs) bands (ev): 4.4082 4.4082 4.6513 4.6513 4.9826 4.9826 5.0738 5.0738 5.3265 5.3265 5.7772 5.7772 5.9638 5.9638 6.4611 6.4611 6.5316 6.5316 6.8703 6.8703 7.0605 7.0605 7.3266 7.3266 8.8068 8.8068 9.1994 9.1994 11.0101 11.0101 11.4254 11.4254 11.6158 11.6158 k =-0.5000 0.1800 0.3677 ( 4004 PWs) bands (ev): 4.3458 4.3458 4.6373 4.6373 4.9653 4.9653 5.0521 5.0521 5.3059 5.3059 5.7646 5.7646 5.9340 5.9340 6.4640 6.4640 6.5552 6.5552 6.8520 6.8520 7.0566 7.0566 7.3181 7.3181 8.8990 8.8990 9.2311 9.2311 10.9840 10.9840 11.4978 11.4978 11.6439 11.6439 k =-0.5000 0.1800 0.3493 ( 4004 PWs) bands (ev): 4.2843 4.2843 4.6247 4.6247 4.9468 4.9468 5.0290 5.0290 5.2867 5.2867 5.7491 5.7491 5.9027 5.9027 6.4641 6.4641 6.5842 6.5842 6.8311 6.8311 7.0553 7.0553 7.3100 7.3100 8.9953 8.9953 9.2628 9.2628 10.9565 10.9565 11.5755 11.5755 11.6725 11.6725 k =-0.5000 0.1800 0.3309 ( 4000 PWs) bands (ev): 4.2242 4.2242 4.6134 4.6134 4.9272 4.9272 5.0050 5.0050 5.2689 5.2689 5.7306 5.7306 5.8708 5.8708 6.4645 6.4645 6.6140 6.6140 6.8103 6.8103 7.0551 7.0551 7.3035 7.3035 9.0939 9.0939 9.2951 9.2951 10.9280 10.9280 11.6561 11.6561 11.7020 11.7020 k =-0.5000 0.1800 0.3125 ( 4010 PWs) bands (ev): 4.1659 4.1659 4.6036 4.6036 4.9068 4.9068 4.9801 4.9801 5.2520 5.2520 5.7093 5.7093 5.8391 5.8391 6.4655 6.4655 6.6416 6.6416 6.7921 6.7921 7.0550 7.0550 7.2996 7.2996 9.1927 9.1927 9.3289 9.3289 10.8986 10.8986 11.7209 11.7209 11.7488 11.7488 k =-0.5000 0.1800 0.2941 ( 4010 PWs) bands (ev): 4.1096 4.1096 4.5952 4.5952 4.8858 4.8858 4.9549 4.9549 5.2359 5.2359 5.6852 5.6852 5.8085 5.8085 6.4671 6.4671 6.6640 6.6640 6.7792 6.7792 7.0550 7.0550 7.2990 7.2990 9.2869 9.2869 9.3678 9.3678 10.8686 10.8686 11.7501 11.7501 11.8304 11.8304 k =-0.5000 0.1800 0.2757 ( 4018 PWs) bands (ev): 4.0557 4.0557 4.5884 4.5884 4.8645 4.8645 4.9296 4.9296 5.2200 5.2200 5.6587 5.6587 5.7797 5.7797 6.4688 6.4688 6.6779 6.6779 6.7738 6.7738 7.0559 7.0559 7.3018 7.3018 9.3593 9.3593 9.4281 9.4281 10.8383 10.8383 11.7736 11.7736 11.9138 11.9138 k =-0.5000 0.1800 0.2574 ( 4026 PWs) bands (ev): 4.0044 4.0044 4.5831 4.5831 4.8432 4.8432 4.9045 4.9045 5.2041 5.2041 5.6303 5.6303 5.7531 5.7531 6.4701 6.4701 6.6827 6.6827 6.7755 6.7755 7.0595 7.0595 7.3077 7.3077 9.4027 9.4027 9.5161 9.5161 10.8078 10.8078 11.7930 11.7930 11.9939 11.9939 k =-0.5000 0.1800 0.2390 ( 4030 PWs) bands (ev): 3.9560 3.9560 4.5793 4.5793 4.8222 4.8222 4.8799 4.8799 5.1878 5.1878 5.6009 5.6009 5.7291 5.7291 6.4708 6.4708 6.6815 6.6815 6.7799 6.7799 7.0672 7.0672 7.3159 7.3159 9.4371 9.4371 9.6110 9.6110 10.7776 10.7776 11.8074 11.8074 12.0670 12.0670 k =-0.5000 0.1800 0.2206 ( 4048 PWs) bands (ev): 3.9105 3.9105 4.5770 4.5770 4.8018 4.8018 4.8562 4.8562 5.1708 5.1708 5.5712 5.5712 5.7077 5.7077 6.4704 6.4704 6.6782 6.6782 6.7826 6.7826 7.0801 7.0801 7.3258 7.3258 9.4687 9.4687 9.7055 9.7055 10.7479 10.7479 11.8158 11.8158 12.1233 12.1233 k =-0.5000 0.1800 0.2022 ( 4044 PWs) bands (ev): 3.8682 3.8682 4.5760 4.5760 4.7821 4.7821 4.8335 4.8335 5.1529 5.1529 5.5421 5.5421 5.6892 5.6892 6.4687 6.4687 6.6748 6.6748 6.7822 6.7822 7.0978 7.0978 7.3367 7.3367 9.4990 9.4990 9.7975 9.7975 10.7190 10.7190 11.8174 11.8174 12.1248 12.1248 k =-0.5000 0.1800 0.1838 ( 4044 PWs) bands (ev): 3.8291 3.8291 4.5764 4.5764 4.7635 4.7635 4.8122 4.8122 5.1342 5.1342 5.5143 5.5143 5.6733 5.6733 6.4655 6.4655 6.6720 6.6720 6.7789 6.7789 7.1193 7.1193 7.3480 7.3480 9.5280 9.5280 9.8859 9.8859 10.6913 10.6913 11.8119 11.8119 12.0868 12.0868 k =-0.5000 0.1800 0.1654 ( 4032 PWs) bands (ev): 3.7935 3.7935 4.5780 4.5780 4.7461 4.7461 4.7924 4.7924 5.1145 5.1145 5.4883 5.4883 5.6601 5.6601 6.4610 6.4610 6.6699 6.6699 6.7741 6.7741 7.1431 7.1431 7.3592 7.3592 9.5557 9.5557 9.9700 9.9700 10.6651 10.6651 11.7993 11.7993 12.0452 12.0452 k =-0.5000 0.1800 0.1471 ( 4032 PWs) bands (ev): 3.7613 3.7613 4.5806 4.5806 4.7302 4.7302 4.7743 4.7743 5.0943 5.0943 5.4646 5.4646 5.6494 5.6494 6.4551 6.4551 6.6684 6.6684 6.7688 6.7688 7.1677 7.1677 7.3700 7.3700 9.5819 9.5819 10.0488 10.0488 10.6409 10.6409 11.7808 11.7808 12.0060 12.0060 k =-0.5000 0.1800 0.1287 ( 4032 PWs) bands (ev): 3.7328 3.7328 4.5840 4.5840 4.7157 4.7157 4.7582 4.7582 5.0739 5.0739 5.4435 5.4435 5.6409 5.6409 6.4482 6.4482 6.6674 6.6674 6.7639 6.7639 7.1919 7.1919 7.3798 7.3798 9.6061 9.6061 10.1216 10.1216 10.6189 10.6189 11.7580 11.7580 11.9702 11.9702 k =-0.5000 0.1800 0.1103 ( 4040 PWs) bands (ev): 3.7078 3.7078 4.5879 4.5879 4.7030 4.7030 4.7443 4.7443 5.0540 5.0540 5.4251 5.4251 5.6344 5.6344 6.4407 6.4407 6.6667 6.6667 6.7598 6.7598 7.2149 7.2149 7.3886 7.3886 9.6281 9.6281 10.1874 10.1874 10.5995 10.5995 11.7330 11.7330 11.9380 11.9380 k =-0.5000 0.1800 0.0919 ( 4044 PWs) bands (ev): 3.6867 3.6867 4.5920 4.5920 4.6921 4.6921 4.7327 4.7327 5.0351 5.0351 5.4095 5.4095 5.6297 5.6297 6.4331 6.4331 6.6662 6.6662 6.7567 6.7567 7.2357 7.2357 7.3962 7.3962 9.6476 9.6476 10.2452 10.2452 10.5832 10.5832 11.7081 11.7081 11.9093 11.9093 k =-0.5000 0.1800 0.0735 ( 4046 PWs) bands (ev): 3.6693 3.6693 4.5960 4.5960 4.6830 4.6830 4.7234 4.7234 5.0181 5.0181 5.3968 5.3968 5.6263 5.6263 6.4259 6.4259 6.6659 6.6659 6.7545 6.7545 7.2537 7.2537 7.4023 7.4023 9.6641 9.6641 10.2939 10.2939 10.5702 10.5702 11.6851 11.6851 11.8845 11.8845 k =-0.5000 0.1800 0.0551 ( 4048 PWs) bands (ev): 3.6557 3.6557 4.5994 4.5994 4.6758 4.6758 4.7166 4.7166 5.0037 5.0037 5.3869 5.3869 5.6240 5.6240 6.4197 6.4197 6.6657 6.6657 6.7531 6.7531 7.2684 7.2684 7.4070 7.4070 9.6773 9.6773 10.3325 10.3325 10.5607 10.5607 11.6656 11.6656 11.8640 11.8640 k =-0.5000 0.1800 0.0368 ( 4052 PWs) bands (ev): 3.6460 3.6460 4.6020 4.6020 4.6707 4.6707 4.7119 4.7119 4.9928 4.9928 5.3799 5.3799 5.6226 5.6226 6.4149 6.4149 6.6656 6.6656 6.7522 6.7522 7.2793 7.2793 7.4103 7.4103 9.6870 9.6870 10.3602 10.3602 10.5546 10.5546 11.6507 11.6507 11.8487 11.8487 k =-0.5000 0.1800 0.0184 ( 4052 PWs) bands (ev): 3.6401 3.6401 4.6036 4.6036 4.6676 4.6676 4.7093 4.7093 4.9859 4.9859 5.3757 5.3757 5.6218 5.6218 6.4119 6.4119 6.6655 6.6655 6.7518 6.7518 7.2860 7.2860 7.4122 7.4122 9.6929 9.6929 10.3767 10.3767 10.5514 10.5514 11.6415 11.6415 11.8392 11.8392 k =-0.5000 0.1800-0.0000 ( 4048 PWs) bands (ev): 3.6382 3.6382 4.6042 4.6042 4.6665 4.6665 4.7084 4.7084 4.9836 4.9836 5.3743 5.3743 5.6216 5.6216 6.4109 6.4109 6.6655 6.6655 6.7516 6.7516 7.2883 7.2883 7.4129 7.4129 9.6949 9.6949 10.3821 10.3821 10.5505 10.5505 11.6384 11.6384 11.8359 11.8359 k = 0.0000 0.0000 0.6434 ( 4044 PWs) bands (ev): 4.5796 4.5796 4.5796 4.5796 5.2414 5.2414 5.2414 5.2414 5.3887 5.3887 5.3887 5.3887 6.2045 6.2045 6.2045 6.2045 7.0359 7.0359 7.0359 7.0359 7.4918 7.4918 7.4918 7.4918 9.4238 9.4238 9.4238 9.4238 10.1714 10.1714 10.1714 10.1714 10.8064 10.8064 k =-0.0172 0.0062 0.6434 ( 4044 PWs) bands (ev): 4.5805 4.5805 4.5805 4.5805 5.2418 5.2418 5.2418 5.2418 5.3888 5.3888 5.3888 5.3888 6.2039 6.2039 6.2039 6.2039 7.0355 7.0355 7.0355 7.0355 7.4911 7.4911 7.4911 7.4911 9.4223 9.4223 9.4223 9.4223 10.1741 10.1741 10.1741 10.1741 10.8064 10.8064 k =-0.0345 0.0124 0.6434 ( 4044 PWs) bands (ev): 4.5832 4.5832 4.5832 4.5832 5.2429 5.2429 5.2429 5.2429 5.3891 5.3891 5.3891 5.3891 6.2024 6.2024 6.2024 6.2024 7.0341 7.0341 7.0341 7.0341 7.4888 7.4888 7.4888 7.4888 9.4177 9.4177 9.4177 9.4177 10.1823 10.1823 10.1823 10.1823 10.8064 10.8064 k =-0.0517 0.0186 0.6434 ( 4040 PWs) bands (ev): 4.5877 4.5877 4.5877 4.5877 5.2445 5.2445 5.2445 5.2445 5.3897 5.3897 5.3897 5.3897 6.2000 6.2000 6.2000 6.2000 7.0319 7.0319 7.0319 7.0319 7.4851 7.4851 7.4851 7.4851 9.4099 9.4099 9.4099 9.4099 10.1959 10.1959 10.1959 10.1959 10.8068 10.8068 k =-0.0690 0.0248 0.6434 ( 4042 PWs) bands (ev): 4.5940 4.5940 4.5940 4.5940 5.2465 5.2465 5.2465 5.2465 5.3908 5.3908 5.3908 5.3908 6.1966 6.1966 6.1966 6.1966 7.0289 7.0289 7.0289 7.0289 7.4799 7.4799 7.4799 7.4799 9.3987 9.3987 9.3987 9.3987 10.2146 10.2146 10.2146 10.2146 10.8079 10.8079 k =-0.0862 0.0310 0.6434 ( 4042 PWs) bands (ev): 4.6019 4.6019 4.6019 4.6019 5.2486 5.2486 5.2486 5.2486 5.3928 5.3928 5.3928 5.3928 6.1923 6.1923 6.1923 6.1923 7.0251 7.0251 7.0251 7.0251 7.4731 7.4731 7.4731 7.4731 9.3840 9.3840 9.3840 9.3840 10.2384 10.2384 10.2384 10.2384 10.8101 10.8101 k =-0.1034 0.0372 0.6434 ( 4046 PWs) bands (ev): 4.6114 4.6114 4.6114 4.6114 5.2505 5.2505 5.2505 5.2505 5.3959 5.3959 5.3959 5.3959 6.1874 6.1874 6.1874 6.1874 7.0206 7.0206 7.0206 7.0206 7.4649 7.4649 7.4649 7.4649 9.3657 9.3657 9.3657 9.3657 10.2669 10.2669 10.2669 10.2669 10.8142 10.8142 k =-0.1207 0.0435 0.6434 ( 4054 PWs) bands (ev): 4.6224 4.6224 4.6224 4.6224 5.2518 5.2518 5.2518 5.2518 5.4006 5.4006 5.4006 5.4006 6.1818 6.1818 6.1818 6.1818 7.0155 7.0155 7.0155 7.0155 7.4552 7.4552 7.4552 7.4552 9.3436 9.3436 9.3436 9.3436 10.2999 10.2999 10.2999 10.2999 10.8206 10.8206 k =-0.1379 0.0497 0.6434 ( 4054 PWs) bands (ev): 4.6348 4.6348 4.6348 4.6348 5.2521 5.2521 5.2521 5.2521 5.4072 5.4072 5.4072 5.4072 6.1756 6.1756 6.1756 6.1756 7.0098 7.0098 7.0098 7.0098 7.4440 7.4440 7.4440 7.4440 9.3176 9.3176 9.3176 9.3176 10.3370 10.3370 10.3370 10.3370 10.8299 10.8299 k =-0.1552 0.0559 0.6434 ( 4046 PWs) bands (ev): 4.6484 4.6484 4.6484 4.6484 5.2514 5.2514 5.2514 5.2514 5.4160 5.4160 5.4160 5.4160 6.1692 6.1692 6.1692 6.1692 7.0036 7.0036 7.0036 7.0036 7.4314 7.4314 7.4314 7.4314 9.2879 9.2879 9.2879 9.2879 10.3779 10.3779 10.3779 10.3779 10.8424 10.8424 k =-0.1724 0.0621 0.6434 ( 4042 PWs) bands (ev): 4.6631 4.6631 4.6631 4.6631 5.2494 5.2494 5.2494 5.2494 5.4270 5.4270 5.4270 5.4270 6.1625 6.1625 6.1625 6.1625 6.9970 6.9970 6.9970 6.9970 7.4174 7.4174 7.4174 7.4174 9.2546 9.2546 9.2546 9.2546 10.4223 10.4223 10.4223 10.4223 10.8584 10.8584 k =-0.1897 0.0683 0.6434 ( 4038 PWs) bands (ev): 4.6787 4.6787 4.6787 4.6787 5.2462 5.2462 5.2462 5.2462 5.4404 5.4404 5.4404 5.4404 6.1558 6.1558 6.1558 6.1558 6.9901 6.9901 6.9901 6.9901 7.4019 7.4019 7.4019 7.4019 9.2181 9.2181 9.2181 9.2181 10.4696 10.4696 10.4696 10.4696 10.8780 10.8780 k =-0.2069 0.0745 0.6434 ( 4046 PWs) bands (ev): 4.6951 4.6951 4.6951 4.6951 5.2418 5.2418 5.2418 5.2418 5.4558 5.4558 5.4558 5.4558 6.1492 6.1492 6.1492 6.1492 6.9829 6.9829 6.9829 6.9829 7.3851 7.3851 7.3851 7.3851 9.1788 9.1788 9.1788 9.1788 10.5194 10.5194 10.5194 10.5194 10.9012 10.9012 k =-0.2241 0.0807 0.6434 ( 4042 PWs) bands (ev): 4.7119 4.7119 4.7119 4.7119 5.2366 5.2366 5.2366 5.2366 5.4731 5.4731 5.4731 5.4731 6.1429 6.1429 6.1429 6.1429 6.9754 6.9754 6.9754 6.9754 7.3669 7.3669 7.3669 7.3669 9.1372 9.1372 9.1372 9.1372 10.5714 10.5714 10.5714 10.5714 10.9278 10.9278 k =-0.2414 0.0869 0.6434 ( 4038 PWs) bands (ev): 4.7292 4.7292 4.7292 4.7292 5.2306 5.2306 5.2306 5.2306 5.4921 5.4921 5.4921 5.4921 6.1371 6.1371 6.1371 6.1371 6.9678 6.9678 6.9678 6.9678 7.3475 7.3475 7.3475 7.3475 9.0940 9.0940 9.0940 9.0940 10.6249 10.6249 10.6249 10.6249 10.9574 10.9574 k =-0.2586 0.0931 0.6434 ( 4030 PWs) bands (ev): 4.7465 4.7465 4.7465 4.7465 5.2241 5.2241 5.2241 5.2241 5.5125 5.5125 5.5125 5.5125 6.1319 6.1319 6.1319 6.1319 6.9599 6.9599 6.9599 6.9599 7.3271 7.3271 7.3271 7.3271 9.0498 9.0498 9.0498 9.0498 10.6796 10.6796 10.6796 10.6796 10.9897 10.9897 k =-0.2759 0.0993 0.6434 ( 4030 PWs) bands (ev): 4.7638 4.7638 4.7638 4.7638 5.2173 5.2173 5.2173 5.2173 5.5339 5.5339 5.5339 5.5339 6.1276 6.1276 6.1276 6.1276 6.9519 6.9519 6.9519 6.9519 7.3057 7.3057 7.3057 7.3057 9.0052 9.0052 9.0052 9.0052 10.7348 10.7348 10.7348 10.7348 11.0241 11.0241 k =-0.2931 0.1055 0.6434 ( 4032 PWs) bands (ev): 4.7807 4.7807 4.7807 4.7807 5.2103 5.2103 5.2103 5.2103 5.5560 5.5560 5.5560 5.5560 6.1242 6.1242 6.1242 6.1242 6.9437 6.9437 6.9437 6.9437 7.2835 7.2835 7.2835 7.2835 8.9610 8.9610 8.9610 8.9610 10.7899 10.7899 10.7899 10.7899 11.0601 11.0601 k =-0.3103 0.1117 0.6434 ( 4038 PWs) bands (ev): 4.7972 4.7972 4.7972 4.7972 5.2033 5.2033 5.2033 5.2033 5.5784 5.5784 5.5784 5.5784 6.1221 6.1221 6.1221 6.1221 6.9352 6.9352 6.9352 6.9352 7.2608 7.2608 7.2608 7.2608 8.9179 8.9179 8.9179 8.9179 10.8444 10.8444 10.8444 10.8444 11.0970 11.0970 k =-0.3276 0.1180 0.6434 ( 4026 PWs) bands (ev): 4.8129 4.8129 4.8129 4.8129 5.1964 5.1964 5.1964 5.1964 5.6008 5.6008 5.6008 5.6008 6.1212 6.1212 6.1212 6.1212 6.9266 6.9266 6.9266 6.9266 7.2381 7.2381 7.2381 7.2381 8.8764 8.8764 8.8764 8.8764 10.8975 10.8975 10.8975 10.8975 11.1342 11.1342 k =-0.3448 0.1242 0.6434 ( 4024 PWs) bands (ev): 4.8277 4.8277 4.8277 4.8277 5.1898 5.1898 5.1898 5.1898 5.6226 5.6226 5.6226 5.6226 6.1217 6.1217 6.1217 6.1217 6.9177 6.9177 6.9177 6.9177 7.2155 7.2155 7.2155 7.2155 8.8372 8.8372 8.8372 8.8372 10.9485 10.9485 10.9485 10.9485 11.1711 11.1711 k =-0.3621 0.1304 0.6434 ( 4022 PWs) bands (ev): 4.8415 4.8415 4.8415 4.8415 5.1836 5.1836 5.1836 5.1836 5.6435 5.6435 5.6435 5.6435 6.1235 6.1235 6.1235 6.1235 6.9085 6.9085 6.9085 6.9085 7.1937 7.1937 7.1937 7.1937 8.8007 8.8007 8.8007 8.8007 10.9967 10.9967 10.9967 10.9967 11.2070 11.2070 k =-0.3793 0.1366 0.6434 ( 4018 PWs) bands (ev): 4.8541 4.8541 4.8541 4.8541 5.1778 5.1778 5.1778 5.1778 5.6629 5.6629 5.6629 5.6629 6.1267 6.1267 6.1267 6.1267 6.8990 6.8990 6.8990 6.8990 7.1731 7.1731 7.1731 7.1731 8.7676 8.7676 8.7676 8.7676 11.0414 11.0414 11.0414 11.0414 11.2412 11.2412 k =-0.3966 0.1428 0.6434 ( 4016 PWs) bands (ev): 4.8652 4.8652 4.8652 4.8652 5.1726 5.1726 5.1726 5.1726 5.6805 5.6805 5.6805 5.6805 6.1310 6.1310 6.1310 6.1310 6.8895 6.8895 6.8895 6.8895 7.1543 7.1543 7.1543 7.1543 8.7380 8.7380 8.7380 8.7380 11.0817 11.0817 11.0817 11.0817 11.2730 11.2730 k =-0.4138 0.1490 0.6434 ( 4018 PWs) bands (ev): 4.8749 4.8749 4.8749 4.8749 5.1680 5.1680 5.1680 5.1680 5.6959 5.6959 5.6959 5.6959 6.1361 6.1361 6.1361 6.1361 6.8801 6.8801 6.8801 6.8801 7.1376 7.1376 7.1376 7.1376 8.7125 8.7125 8.7125 8.7125 11.1169 11.1169 11.1169 11.1169 11.3017 11.3017 k =-0.4310 0.1552 0.6434 ( 4018 PWs) bands (ev): 4.8830 4.8830 4.8830 4.8830 5.1642 5.1642 5.1642 5.1642 5.7088 5.7088 5.7088 5.7088 6.1415 6.1415 6.1415 6.1415 6.8713 6.8713 6.8713 6.8713 7.1236 7.1236 7.1236 7.1236 8.6913 8.6913 8.6913 8.6913 11.1465 11.1465 11.1465 11.1465 11.3266 11.3266 k =-0.4483 0.1614 0.6434 ( 4016 PWs) bands (ev): 4.8893 4.8893 4.8893 4.8893 5.1611 5.1611 5.1611 5.1611 5.7189 5.7189 5.7189 5.7189 6.1466 6.1466 6.1466 6.1466 6.8635 6.8635 6.8635 6.8635 7.1125 7.1125 7.1125 7.1125 8.6746 8.6746 8.6746 8.6746 11.1701 11.1701 11.1701 11.1701 11.3470 11.3470 k =-0.4655 0.1676 0.6434 ( 4008 PWs) bands (ev): 4.8939 4.8939 4.8939 4.8939 5.1589 5.1589 5.1589 5.1589 5.7262 5.7262 5.7262 5.7262 6.1508 6.1508 6.1508 6.1508 6.8573 6.8573 6.8573 6.8573 7.1044 7.1044 7.1044 7.1044 8.6625 8.6625 8.6625 8.6625 11.1871 11.1871 11.1871 11.1871 11.3621 11.3621 k =-0.4828 0.1738 0.6434 ( 4016 PWs) bands (ev): 4.8967 4.8967 4.8967 4.8967 5.1575 5.1575 5.1575 5.1575 5.7307 5.7307 5.7307 5.7307 6.1536 6.1536 6.1536 6.1536 6.8534 6.8534 6.8534 6.8534 7.0996 7.0996 7.0996 7.0996 8.6552 8.6552 8.6552 8.6552 11.1974 11.1974 11.1974 11.1974 11.3714 11.3714 k =-0.5000 0.1800 0.6434 ( 4016 PWs) bands (ev): 4.8976 4.8976 4.8976 4.8976 5.1571 5.1571 5.1571 5.1571 5.7321 5.7321 5.7321 5.7321 6.1546 6.1546 6.1546 6.1546 6.8520 6.8520 6.8520 6.8520 7.0980 7.0980 7.0980 7.0980 8.6528 8.6528 8.6528 8.6528 11.2008 11.2008 11.2008 11.2008 11.3746 11.3746 Writing output data file LaPt.save init_run : 2.89s CPU 13.14s WALL ( 1 calls) electrons : 834.01s CPU 844.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.58s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 833.99s CPU 844.00s WALL ( 1 calls) v_of_rho : 0.28s CPU 0.93s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.27s CPU 0.65s WALL ( 1 calls) newd : 0.29s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.29s WALL ( 402 calls) cegterg : 761.78s CPU 768.23s WALL ( 1495 calls) Called by sum_band: Called by *egterg: h_psi : 430.31s CPU 444.94s WALL ( 28187 calls) s_psi : 31.87s CPU 32.94s WALL ( 28187 calls) g_psi : 1.06s CPU 1.16s WALL ( 26290 calls) cdiaghg : 200.66s CPU 195.59s WALL ( 26692 calls) cegterg:over : 62.09s CPU 55.43s WALL ( 26290 calls) cegterg:upda : 9.59s CPU 16.39s WALL ( 26290 calls) cegterg:last : 10.14s CPU 12.15s WALL ( 4776 calls) Called by h_psi: h_psi:vloc : 339.84s CPU 352.91s WALL ( 28187 calls) h_psi:vnl : 90.09s CPU 90.87s WALL ( 28187 calls) add_vuspsi : 29.31s CPU 36.80s WALL ( 28187 calls) General routines calbec : 60.68s CPU 53.92s WALL ( 28187 calls) fft : 0.32s CPU 1.25s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 313.11s CPU 318.42s WALL ( 1997788 calls) interpolate : 0.15s CPU 0.15s WALL ( 4 calls) davcio : 0.02s CPU 2.28s WALL ( 804 calls) Parallel routines fft_scatter : 189.95s CPU 186.25s WALL ( 1997811 calls) PWSCF : 14m47.04s CPU 17m11.76s WALL This run was terminated on: 11:29:55 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=