Program PWSCF v.5.1.1 starts on 31Jul2015 at 4: 6:46 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: ./CuH.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 10 7 2 288 193 32 Max 11 8 3 293 202 41 Sum 499 379 121 13957 9499 1725 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.4613 a.u. unit-cell volume = 225.0214 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.461308 celldm(2)= 1.000000 celldm(3)= 1.595156 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.595156 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.626898 ) PseudoPot. # 1 for H read from file: /home/autes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 H 1.00 1.00790 H( 1.00) Cu 11.00 63.54600 Cu( 1.00) 6 Sym. Ops. (no inversion) found (note: 6 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0079365 0.0045821 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0158730 0.0091643 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0317460 0.0183286 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0396825 0.0229107 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0634921 0.0366572 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0793651 0.0458215 -0.0000000), wk = 0.0021739 k( 12) = ( 0.0873016 0.0504036 -0.0000000), wk = 0.0021739 k( 13) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1031746 0.0595679 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0021739 k( 16) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0021739 k( 17) = ( 0.1269841 0.0733143 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1349206 0.0778965 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0021739 k( 20) = ( 0.1507937 0.0870608 -0.0000000), wk = 0.0021739 k( 21) = ( 0.1587302 0.0916429 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0021739 k( 23) = ( 0.1746032 0.1008072 -0.0000000), wk = 0.0021739 k( 24) = ( 0.1825397 0.1053893 -0.0000000), wk = 0.0021739 k( 25) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0021739 k( 26) = ( 0.1984127 0.1145536 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2063492 0.1191358 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0021739 k( 29) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0021739 k( 30) = ( 0.2301587 0.1328822 -0.0000000), wk = 0.0021739 k( 31) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0021739 k( 32) = ( 0.2460317 0.1420465 -0.0000000), wk = 0.0021739 k( 33) = ( 0.2539683 0.1466286 -0.0000000), wk = 0.0021739 k( 34) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0021739 k( 35) = ( 0.2698413 0.1557929 -0.0000000), wk = 0.0021739 k( 36) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0021739 k( 37) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0021739 k( 38) = ( 0.2936508 0.1695394 -0.0000000), wk = 0.0021739 k( 39) = ( 0.3015873 0.1741215 -0.0000000), wk = 0.0021739 k( 40) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0021739 k( 41) = ( 0.3174603 0.1832858 -0.0000000), wk = 0.0021739 k( 42) = ( 0.3253968 0.1878679 -0.0000000), wk = 0.0021739 k( 43) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0021739 k( 44) = ( 0.3412698 0.1970322 -0.0000000), wk = 0.0021739 k( 45) = ( 0.3492063 0.2016144 -0.0000000), wk = 0.0021739 k( 46) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0021739 k( 47) = ( 0.3650794 0.2107787 -0.0000000), wk = 0.0021739 k( 48) = ( 0.3730159 0.2153608 -0.0000000), wk = 0.0021739 k( 49) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0021739 k( 50) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0021739 k( 51) = ( 0.3968254 0.2291073 -0.0000000), wk = 0.0021739 k( 52) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0021739 k( 53) = ( 0.4126984 0.2382715 -0.0000000), wk = 0.0021739 k( 54) = ( 0.4206349 0.2428537 -0.0000000), wk = 0.0021739 k( 55) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0021739 k( 56) = ( 0.4365079 0.2520180 -0.0000000), wk = 0.0021739 k( 57) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0021739 k( 58) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0021739 k( 59) = ( 0.4603175 0.2657644 -0.0000000), wk = 0.0021739 k( 60) = ( 0.4682540 0.2703466 -0.0000000), wk = 0.0021739 k( 61) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0021739 k( 62) = ( 0.4841270 0.2795108 -0.0000000), wk = 0.0021739 k( 63) = ( 0.4920635 0.2840930 -0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021739 k( 66) = ( 0.4954955 0.2964772 -0.0000000), wk = 0.0021739 k( 67) = ( 0.4909910 0.3042792 -0.0000000), wk = 0.0021739 k( 68) = ( 0.4864865 0.3120812 -0.0000000), wk = 0.0021739 k( 69) = ( 0.4819820 0.3198833 -0.0000000), wk = 0.0021739 k( 70) = ( 0.4774775 0.3276853 -0.0000000), wk = 0.0021739 k( 71) = ( 0.4729730 0.3354873 -0.0000000), wk = 0.0021739 k( 72) = ( 0.4684685 0.3432893 -0.0000000), wk = 0.0021739 k( 73) = ( 0.4639640 0.3510914 -0.0000000), wk = 0.0021739 k( 74) = ( 0.4594595 0.3588934 -0.0000000), wk = 0.0021739 k( 75) = ( 0.4549550 0.3666954 -0.0000000), wk = 0.0021739 k( 76) = ( 0.4504505 0.3744975 -0.0000000), wk = 0.0021739 k( 77) = ( 0.4459459 0.3822995 -0.0000000), wk = 0.0021739 k( 78) = ( 0.4414414 0.3901015 -0.0000000), wk = 0.0021739 k( 79) = ( 0.4369369 0.3979036 -0.0000000), wk = 0.0021739 k( 80) = ( 0.4324324 0.4057056 -0.0000000), wk = 0.0021739 k( 81) = ( 0.4279279 0.4135076 -0.0000000), wk = 0.0021739 k( 82) = ( 0.4234234 0.4213097 -0.0000000), wk = 0.0021739 k( 83) = ( 0.4189189 0.4291117 -0.0000000), wk = 0.0021739 k( 84) = ( 0.4144144 0.4369137 -0.0000000), wk = 0.0021739 k( 85) = ( 0.4099099 0.4447157 -0.0000000), wk = 0.0021739 k( 86) = ( 0.4054054 0.4525178 -0.0000000), wk = 0.0021739 k( 87) = ( 0.4009009 0.4603198 -0.0000000), wk = 0.0021739 k( 88) = ( 0.3963964 0.4681218 -0.0000000), wk = 0.0021739 k( 89) = ( 0.3918919 0.4759239 -0.0000000), wk = 0.0021739 k( 90) = ( 0.3873874 0.4837259 -0.0000000), wk = 0.0021739 k( 91) = ( 0.3828829 0.4915279 -0.0000000), wk = 0.0021739 k( 92) = ( 0.3783784 0.4993300 -0.0000000), wk = 0.0021739 k( 93) = ( 0.3738739 0.5071320 -0.0000000), wk = 0.0021739 k( 94) = ( 0.3693694 0.5149340 -0.0000000), wk = 0.0021739 k( 95) = ( 0.3648649 0.5227361 -0.0000000), wk = 0.0021739 k( 96) = ( 0.3603604 0.5305381 -0.0000000), wk = 0.0021739 k( 97) = ( 0.3558559 0.5383401 -0.0000000), wk = 0.0021739 k( 98) = ( 0.3513514 0.5461421 -0.0000000), wk = 0.0021739 k( 99) = ( 0.3468468 0.5539442 -0.0000000), wk = 0.0021739 k( 100) = ( 0.3423423 0.5617462 -0.0000000), wk = 0.0021739 k( 101) = ( 0.3378378 0.5695482 -0.0000000), wk = 0.0021739 k( 102) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021739 k( 103) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3287671 0.5694414 -0.0000000), wk = 0.0021739 k( 105) = ( 0.3242009 0.5615324 -0.0000000), wk = 0.0021739 k( 106) = ( 0.3196347 0.5536235 -0.0000000), wk = 0.0021739 k( 107) = ( 0.3150685 0.5457146 -0.0000000), wk = 0.0021739 k( 108) = ( 0.3105023 0.5378057 -0.0000000), wk = 0.0021739 k( 109) = ( 0.3059361 0.5298968 -0.0000000), wk = 0.0021739 k( 110) = ( 0.3013699 0.5219879 -0.0000000), wk = 0.0021739 k( 111) = ( 0.2968036 0.5140790 -0.0000000), wk = 0.0021739 k( 112) = ( 0.2922374 0.5061701 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2876712 0.4982612 -0.0000000), wk = 0.0021739 k( 114) = ( 0.2831050 0.4903523 -0.0000000), wk = 0.0021739 k( 115) = ( 0.2785388 0.4824434 -0.0000000), wk = 0.0021739 k( 116) = ( 0.2739726 0.4745345 -0.0000000), wk = 0.0021739 k( 117) = ( 0.2694064 0.4666256 -0.0000000), wk = 0.0021739 k( 118) = ( 0.2648402 0.4587166 -0.0000000), wk = 0.0021739 k( 119) = ( 0.2602740 0.4508077 -0.0000000), wk = 0.0021739 k( 120) = ( 0.2557078 0.4428988 -0.0000000), wk = 0.0021739 k( 121) = ( 0.2511415 0.4349899 -0.0000000), wk = 0.0021739 k( 122) = ( 0.2465753 0.4270810 -0.0000000), wk = 0.0021739 k( 123) = ( 0.2420091 0.4191721 -0.0000000), wk = 0.0021739 k( 124) = ( 0.2374429 0.4112632 -0.0000000), wk = 0.0021739 k( 125) = ( 0.2328767 0.4033543 -0.0000000), wk = 0.0021739 k( 126) = ( 0.2283105 0.3954454 -0.0000000), wk = 0.0021739 k( 127) = ( 0.2237443 0.3875365 -0.0000000), wk = 0.0021739 k( 128) = ( 0.2191781 0.3796276 -0.0000000), wk = 0.0021739 k( 129) = ( 0.2146119 0.3717187 -0.0000000), wk = 0.0021739 k( 130) = ( 0.2100457 0.3638098 -0.0000000), wk = 0.0021739 k( 131) = ( 0.2054795 0.3559008 -0.0000000), wk = 0.0021739 k( 132) = ( 0.2009132 0.3479919 -0.0000000), wk = 0.0021739 k( 133) = ( 0.1963470 0.3400830 -0.0000000), wk = 0.0021739 k( 134) = ( 0.1917808 0.3321741 -0.0000000), wk = 0.0021739 k( 135) = ( 0.1872146 0.3242652 -0.0000000), wk = 0.0021739 k( 136) = ( 0.1826484 0.3163563 -0.0000000), wk = 0.0021739 k( 137) = ( 0.1780822 0.3084474 -0.0000000), wk = 0.0021739 k( 138) = ( 0.1735160 0.3005385 -0.0000000), wk = 0.0021739 k( 139) = ( 0.1689498 0.2926296 -0.0000000), wk = 0.0021739 k( 140) = ( 0.1643836 0.2847207 -0.0000000), wk = 0.0021739 k( 141) = ( 0.1598173 0.2768118 -0.0000000), wk = 0.0021739 k( 142) = ( 0.1552511 0.2689029 -0.0000000), wk = 0.0021739 k( 143) = ( 0.1506849 0.2609940 -0.0000000), wk = 0.0021739 k( 144) = ( 0.1461187 0.2530850 -0.0000000), wk = 0.0021739 k( 145) = ( 0.1415525 0.2451761 -0.0000000), wk = 0.0021739 k( 146) = ( 0.1369863 0.2372672 -0.0000000), wk = 0.0021739 k( 147) = ( 0.1324201 0.2293583 -0.0000000), wk = 0.0021739 k( 148) = ( 0.1278539 0.2214494 -0.0000000), wk = 0.0021739 k( 149) = ( 0.1232877 0.2135405 -0.0000000), wk = 0.0021739 k( 150) = ( 0.1187215 0.2056316 -0.0000000), wk = 0.0021739 k( 151) = ( 0.1141552 0.1977227 -0.0000000), wk = 0.0021739 k( 152) = ( 0.1095890 0.1898138 -0.0000000), wk = 0.0021739 k( 153) = ( 0.1050228 0.1819049 -0.0000000), wk = 0.0021739 k( 154) = ( 0.1004566 0.1739960 -0.0000000), wk = 0.0021739 k( 155) = ( 0.0958904 0.1660871 -0.0000000), wk = 0.0021739 k( 156) = ( 0.0913242 0.1581782 -0.0000000), wk = 0.0021739 k( 157) = ( 0.0867580 0.1502692 -0.0000000), wk = 0.0021739 k( 158) = ( 0.0821918 0.1423603 -0.0000000), wk = 0.0021739 k( 159) = ( 0.0776256 0.1344514 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0730594 0.1265425 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0684932 0.1186336 -0.0000000), wk = 0.0021739 k( 162) = ( 0.0639269 0.1107247 -0.0000000), wk = 0.0021739 k( 163) = ( 0.0593607 0.1028158 -0.0000000), wk = 0.0021739 k( 164) = ( 0.0547945 0.0949069 -0.0000000), wk = 0.0021739 k( 165) = ( 0.0502283 0.0869980 -0.0000000), wk = 0.0021739 k( 166) = ( 0.0456621 0.0790891 -0.0000000), wk = 0.0021739 k( 167) = ( 0.0410959 0.0711802 -0.0000000), wk = 0.0021739 k( 168) = ( 0.0365297 0.0632713 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0319635 0.0553624 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0273973 0.0474534 -0.0000000), wk = 0.0021739 k( 171) = ( 0.0228310 0.0395445 -0.0000000), wk = 0.0021739 k( 172) = ( 0.0182648 0.0316356 -0.0000000), wk = 0.0021739 k( 173) = ( 0.0136986 0.0237267 -0.0000000), wk = 0.0021739 k( 174) = ( 0.0091324 0.0158178 -0.0000000), wk = 0.0021739 k( 175) = ( 0.0045662 0.0079089 -0.0000000), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.0089557), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.0179114), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.0268671), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.0358227), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.0447784), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.0537341), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.0626898), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.0716455), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.0806012), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.0895569), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.0985126), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.1074682), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.1164239), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.1253796), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.1343353), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.1432910), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.1522467), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.1612024), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.1701580), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.1791137), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.1880694), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.1970251), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.2059808), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.2149365), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.2238922), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.2328478), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.2418035), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.2507592), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.2597149), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.2686706), wk = 0.0021739 k( 208) = ( 0.0000000 0.0000000 0.2776263), wk = 0.0021739 k( 209) = ( 0.0000000 0.0000000 0.2865820), wk = 0.0021739 k( 210) = ( 0.0000000 0.0000000 0.2955377), wk = 0.0021739 k( 211) = ( 0.0000000 0.0000000 0.3044933), wk = 0.0021739 k( 212) = ( 0.0000000 0.0000000 0.3134490), wk = 0.0021739 k( 213) = ( 0.0000000 0.0000000 0.3134490), wk = 0.0021739 k( 214) = ( 0.0079365 0.0045821 0.3134490), wk = 0.0021739 k( 215) = ( 0.0158730 0.0091643 0.3134490), wk = 0.0021739 k( 216) = ( 0.0238095 0.0137464 0.3134490), wk = 0.0021739 k( 217) = ( 0.0317460 0.0183286 0.3134490), wk = 0.0021739 k( 218) = ( 0.0396825 0.0229107 0.3134490), wk = 0.0021739 k( 219) = ( 0.0476191 0.0274929 0.3134490), wk = 0.0021739 k( 220) = ( 0.0555556 0.0320750 0.3134490), wk = 0.0021739 k( 221) = ( 0.0634921 0.0366572 0.3134490), wk = 0.0021739 k( 222) = ( 0.0714286 0.0412393 0.3134490), wk = 0.0021739 k( 223) = ( 0.0793651 0.0458215 0.3134490), wk = 0.0021739 k( 224) = ( 0.0873016 0.0504036 0.3134490), wk = 0.0021739 k( 225) = ( 0.0952381 0.0549857 0.3134490), wk = 0.0021739 k( 226) = ( 0.1031746 0.0595679 0.3134490), wk = 0.0021739 k( 227) = ( 0.1111111 0.0641500 0.3134490), wk = 0.0021739 k( 228) = ( 0.1190476 0.0687322 0.3134490), wk = 0.0021739 k( 229) = ( 0.1269841 0.0733143 0.3134490), wk = 0.0021739 k( 230) = ( 0.1349206 0.0778965 0.3134490), wk = 0.0021739 k( 231) = ( 0.1428571 0.0824786 0.3134490), wk = 0.0021739 k( 232) = ( 0.1507937 0.0870608 0.3134490), wk = 0.0021739 k( 233) = ( 0.1587302 0.0916429 0.3134490), wk = 0.0021739 k( 234) = ( 0.1666667 0.0962250 0.3134490), wk = 0.0021739 k( 235) = ( 0.1746032 0.1008072 0.3134490), wk = 0.0021739 k( 236) = ( 0.1825397 0.1053893 0.3134490), wk = 0.0021739 k( 237) = ( 0.1904762 0.1099715 0.3134490), wk = 0.0021739 k( 238) = ( 0.1984127 0.1145536 0.3134490), wk = 0.0021739 k( 239) = ( 0.2063492 0.1191358 0.3134490), wk = 0.0021739 k( 240) = ( 0.2142857 0.1237179 0.3134490), wk = 0.0021739 k( 241) = ( 0.2222222 0.1283001 0.3134490), wk = 0.0021739 k( 242) = ( 0.2301587 0.1328822 0.3134490), wk = 0.0021739 k( 243) = ( 0.2380952 0.1374644 0.3134490), wk = 0.0021739 k( 244) = ( 0.2460317 0.1420465 0.3134490), wk = 0.0021739 k( 245) = ( 0.2539683 0.1466286 0.3134490), wk = 0.0021739 k( 246) = ( 0.2619048 0.1512108 0.3134490), wk = 0.0021739 k( 247) = ( 0.2698413 0.1557929 0.3134490), wk = 0.0021739 k( 248) = ( 0.2777778 0.1603751 0.3134490), wk = 0.0021739 k( 249) = ( 0.2857143 0.1649572 0.3134490), wk = 0.0021739 k( 250) = ( 0.2936508 0.1695394 0.3134490), wk = 0.0021739 k( 251) = ( 0.3015873 0.1741215 0.3134490), wk = 0.0021739 k( 252) = ( 0.3095238 0.1787037 0.3134490), wk = 0.0021739 k( 253) = ( 0.3174603 0.1832858 0.3134490), wk = 0.0021739 k( 254) = ( 0.3253968 0.1878679 0.3134490), wk = 0.0021739 k( 255) = ( 0.3333333 0.1924501 0.3134490), wk = 0.0021739 k( 256) = ( 0.3412698 0.1970322 0.3134490), wk = 0.0021739 k( 257) = ( 0.3492063 0.2016144 0.3134490), wk = 0.0021739 k( 258) = ( 0.3571429 0.2061965 0.3134490), wk = 0.0021739 k( 259) = ( 0.3650794 0.2107787 0.3134490), wk = 0.0021739 k( 260) = ( 0.3730159 0.2153608 0.3134490), wk = 0.0021739 k( 261) = ( 0.3809524 0.2199430 0.3134490), wk = 0.0021739 k( 262) = ( 0.3888889 0.2245251 0.3134490), wk = 0.0021739 k( 263) = ( 0.3968254 0.2291073 0.3134490), wk = 0.0021739 k( 264) = ( 0.4047619 0.2336894 0.3134490), wk = 0.0021739 k( 265) = ( 0.4126984 0.2382715 0.3134490), wk = 0.0021739 k( 266) = ( 0.4206349 0.2428537 0.3134490), wk = 0.0021739 k( 267) = ( 0.4285714 0.2474358 0.3134490), wk = 0.0021739 k( 268) = ( 0.4365079 0.2520180 0.3134490), wk = 0.0021739 k( 269) = ( 0.4444444 0.2566001 0.3134490), wk = 0.0021739 k( 270) = ( 0.4523810 0.2611823 0.3134490), wk = 0.0021739 k( 271) = ( 0.4603175 0.2657644 0.3134490), wk = 0.0021739 k( 272) = ( 0.4682540 0.2703466 0.3134490), wk = 0.0021739 k( 273) = ( 0.4761905 0.2749287 0.3134490), wk = 0.0021739 k( 274) = ( 0.4841270 0.2795108 0.3134490), wk = 0.0021739 k( 275) = ( 0.4920635 0.2840930 0.3134490), wk = 0.0021739 k( 276) = ( 0.5000000 0.2886751 0.3134490), wk = 0.0021739 k( 277) = ( 0.5000000 0.2886751 0.3134490), wk = 0.0021739 k( 278) = ( 0.4954955 0.2964772 0.3134490), wk = 0.0021739 k( 279) = ( 0.4909910 0.3042792 0.3134490), wk = 0.0021739 k( 280) = ( 0.4864865 0.3120812 0.3134490), wk = 0.0021739 k( 281) = ( 0.4819820 0.3198833 0.3134490), wk = 0.0021739 k( 282) = ( 0.4774775 0.3276853 0.3134490), wk = 0.0021739 k( 283) = ( 0.4729730 0.3354873 0.3134490), wk = 0.0021739 k( 284) = ( 0.4684685 0.3432893 0.3134490), wk = 0.0021739 k( 285) = ( 0.4639640 0.3510914 0.3134490), wk = 0.0021739 k( 286) = ( 0.4594595 0.3588934 0.3134490), wk = 0.0021739 k( 287) = ( 0.4549550 0.3666954 0.3134490), wk = 0.0021739 k( 288) = ( 0.4504505 0.3744975 0.3134490), wk = 0.0021739 k( 289) = ( 0.4459459 0.3822995 0.3134490), wk = 0.0021739 k( 290) = ( 0.4414414 0.3901015 0.3134490), wk = 0.0021739 k( 291) = ( 0.4369369 0.3979036 0.3134490), wk = 0.0021739 k( 292) = ( 0.4324324 0.4057056 0.3134490), wk = 0.0021739 k( 293) = ( 0.4279279 0.4135076 0.3134490), wk = 0.0021739 k( 294) = ( 0.4234234 0.4213097 0.3134490), wk = 0.0021739 k( 295) = ( 0.4189189 0.4291117 0.3134490), wk = 0.0021739 k( 296) = ( 0.4144144 0.4369137 0.3134490), wk = 0.0021739 k( 297) = ( 0.4099099 0.4447157 0.3134490), wk = 0.0021739 k( 298) = ( 0.4054054 0.4525178 0.3134490), wk = 0.0021739 k( 299) = ( 0.4009009 0.4603198 0.3134490), wk = 0.0021739 k( 300) = ( 0.3963964 0.4681218 0.3134490), wk = 0.0021739 k( 301) = ( 0.3918919 0.4759239 0.3134490), wk = 0.0021739 k( 302) = ( 0.3873874 0.4837259 0.3134490), wk = 0.0021739 k( 303) = ( 0.3828829 0.4915279 0.3134490), wk = 0.0021739 k( 304) = ( 0.3783784 0.4993300 0.3134490), wk = 0.0021739 k( 305) = ( 0.3738739 0.5071320 0.3134490), wk = 0.0021739 k( 306) = ( 0.3693694 0.5149340 0.3134490), wk = 0.0021739 k( 307) = ( 0.3648649 0.5227361 0.3134490), wk = 0.0021739 k( 308) = ( 0.3603604 0.5305381 0.3134490), wk = 0.0021739 k( 309) = ( 0.3558559 0.5383401 0.3134490), wk = 0.0021739 k( 310) = ( 0.3513514 0.5461421 0.3134490), wk = 0.0021739 k( 311) = ( 0.3468468 0.5539442 0.3134490), wk = 0.0021739 k( 312) = ( 0.3423423 0.5617462 0.3134490), wk = 0.0021739 k( 313) = ( 0.3378378 0.5695482 0.3134490), wk = 0.0021739 k( 314) = ( 0.3333333 0.5773503 0.3134490), wk = 0.0021739 k( 315) = ( 0.3333333 0.5773503 0.3134490), wk = 0.0021739 k( 316) = ( 0.3287671 0.5694414 0.3134490), wk = 0.0021739 k( 317) = ( 0.3242009 0.5615324 0.3134490), wk = 0.0021739 k( 318) = ( 0.3196347 0.5536235 0.3134490), wk = 0.0021739 k( 319) = ( 0.3150685 0.5457146 0.3134490), wk = 0.0021739 k( 320) = ( 0.3105023 0.5378057 0.3134490), wk = 0.0021739 k( 321) = ( 0.3059361 0.5298968 0.3134490), wk = 0.0021739 k( 322) = ( 0.3013699 0.5219879 0.3134490), wk = 0.0021739 k( 323) = ( 0.2968036 0.5140790 0.3134490), wk = 0.0021739 k( 324) = ( 0.2922374 0.5061701 0.3134490), wk = 0.0021739 k( 325) = ( 0.2876712 0.4982612 0.3134490), wk = 0.0021739 k( 326) = ( 0.2831050 0.4903523 0.3134490), wk = 0.0021739 k( 327) = ( 0.2785388 0.4824434 0.3134490), wk = 0.0021739 k( 328) = ( 0.2739726 0.4745345 0.3134490), wk = 0.0021739 k( 329) = ( 0.2694064 0.4666256 0.3134490), wk = 0.0021739 k( 330) = ( 0.2648402 0.4587166 0.3134490), wk = 0.0021739 k( 331) = ( 0.2602740 0.4508077 0.3134490), wk = 0.0021739 k( 332) = ( 0.2557078 0.4428988 0.3134490), wk = 0.0021739 k( 333) = ( 0.2511415 0.4349899 0.3134490), wk = 0.0021739 k( 334) = ( 0.2465753 0.4270810 0.3134490), wk = 0.0021739 k( 335) = ( 0.2420091 0.4191721 0.3134490), wk = 0.0021739 k( 336) = ( 0.2374429 0.4112632 0.3134490), wk = 0.0021739 k( 337) = ( 0.2328767 0.4033543 0.3134490), wk = 0.0021739 k( 338) = ( 0.2283105 0.3954454 0.3134490), wk = 0.0021739 k( 339) = ( 0.2237443 0.3875365 0.3134490), wk = 0.0021739 k( 340) = ( 0.2191781 0.3796276 0.3134490), wk = 0.0021739 k( 341) = ( 0.2146119 0.3717187 0.3134490), wk = 0.0021739 k( 342) = ( 0.2100457 0.3638098 0.3134490), wk = 0.0021739 k( 343) = ( 0.2054795 0.3559008 0.3134490), wk = 0.0021739 k( 344) = ( 0.2009132 0.3479919 0.3134490), wk = 0.0021739 k( 345) = ( 0.1963470 0.3400830 0.3134490), wk = 0.0021739 k( 346) = ( 0.1917808 0.3321741 0.3134490), wk = 0.0021739 k( 347) = ( 0.1872146 0.3242652 0.3134490), wk = 0.0021739 k( 348) = ( 0.1826484 0.3163563 0.3134490), wk = 0.0021739 k( 349) = ( 0.1780822 0.3084474 0.3134490), wk = 0.0021739 k( 350) = ( 0.1735160 0.3005385 0.3134490), wk = 0.0021739 k( 351) = ( 0.1689498 0.2926296 0.3134490), wk = 0.0021739 k( 352) = ( 0.1643836 0.2847207 0.3134490), wk = 0.0021739 k( 353) = ( 0.1598173 0.2768118 0.3134490), wk = 0.0021739 k( 354) = ( 0.1552511 0.2689029 0.3134490), wk = 0.0021739 k( 355) = ( 0.1506849 0.2609940 0.3134490), wk = 0.0021739 k( 356) = ( 0.1461187 0.2530850 0.3134490), wk = 0.0021739 k( 357) = ( 0.1415525 0.2451761 0.3134490), wk = 0.0021739 k( 358) = ( 0.1369863 0.2372672 0.3134490), wk = 0.0021739 k( 359) = ( 0.1324201 0.2293583 0.3134490), wk = 0.0021739 k( 360) = ( 0.1278539 0.2214494 0.3134490), wk = 0.0021739 k( 361) = ( 0.1232877 0.2135405 0.3134490), wk = 0.0021739 k( 362) = ( 0.1187215 0.2056316 0.3134490), wk = 0.0021739 k( 363) = ( 0.1141552 0.1977227 0.3134490), wk = 0.0021739 k( 364) = ( 0.1095890 0.1898138 0.3134490), wk = 0.0021739 k( 365) = ( 0.1050228 0.1819049 0.3134490), wk = 0.0021739 k( 366) = ( 0.1004566 0.1739960 0.3134490), wk = 0.0021739 k( 367) = ( 0.0958904 0.1660871 0.3134490), wk = 0.0021739 k( 368) = ( 0.0913242 0.1581782 0.3134490), wk = 0.0021739 k( 369) = ( 0.0867580 0.1502692 0.3134490), wk = 0.0021739 k( 370) = ( 0.0821918 0.1423603 0.3134490), wk = 0.0021739 k( 371) = ( 0.0776256 0.1344514 0.3134490), wk = 0.0021739 k( 372) = ( 0.0730594 0.1265425 0.3134490), wk = 0.0021739 k( 373) = ( 0.0684932 0.1186336 0.3134490), wk = 0.0021739 k( 374) = ( 0.0639269 0.1107247 0.3134490), wk = 0.0021739 k( 375) = ( 0.0593607 0.1028158 0.3134490), wk = 0.0021739 k( 376) = ( 0.0547945 0.0949069 0.3134490), wk = 0.0021739 k( 377) = ( 0.0502283 0.0869980 0.3134490), wk = 0.0021739 k( 378) = ( 0.0456621 0.0790891 0.3134490), wk = 0.0021739 k( 379) = ( 0.0410959 0.0711802 0.3134490), wk = 0.0021739 k( 380) = ( 0.0365297 0.0632713 0.3134490), wk = 0.0021739 k( 381) = ( 0.0319635 0.0553624 0.3134490), wk = 0.0021739 k( 382) = ( 0.0273973 0.0474534 0.3134490), wk = 0.0021739 k( 383) = ( 0.0228310 0.0395445 0.3134490), wk = 0.0021739 k( 384) = ( 0.0182648 0.0316356 0.3134490), wk = 0.0021739 k( 385) = ( 0.0136986 0.0237267 0.3134490), wk = 0.0021739 k( 386) = ( 0.0091324 0.0158178 0.3134490), wk = 0.0021739 k( 387) = ( 0.0045662 0.0079089 0.3134490), wk = 0.0021739 k( 388) = ( 0.0000000 0.0000000 0.3134490), wk = 0.0021739 k( 389) = ( 0.5000000 0.2886751 0.3134490), wk = 0.0021739 k( 390) = ( 0.5000000 0.2886751 0.3044933), wk = 0.0021739 k( 391) = ( 0.5000000 0.2886751 0.2955377), wk = 0.0021739 k( 392) = ( 0.5000000 0.2886751 0.2865820), wk = 0.0021739 k( 393) = ( 0.5000000 0.2886751 0.2776263), wk = 0.0021739 k( 394) = ( 0.5000000 0.2886751 0.2686706), wk = 0.0021739 k( 395) = ( 0.5000000 0.2886751 0.2597149), wk = 0.0021739 k( 396) = ( 0.5000000 0.2886751 0.2507592), wk = 0.0021739 k( 397) = ( 0.5000000 0.2886751 0.2418035), wk = 0.0021739 k( 398) = ( 0.5000000 0.2886751 0.2328478), wk = 0.0021739 k( 399) = ( 0.5000000 0.2886751 0.2238922), wk = 0.0021739 k( 400) = ( 0.5000000 0.2886751 0.2149365), wk = 0.0021739 k( 401) = ( 0.5000000 0.2886751 0.2059808), wk = 0.0021739 k( 402) = ( 0.5000000 0.2886751 0.1970251), wk = 0.0021739 k( 403) = ( 0.5000000 0.2886751 0.1880694), wk = 0.0021739 k( 404) = ( 0.5000000 0.2886751 0.1791137), wk = 0.0021739 k( 405) = ( 0.5000000 0.2886751 0.1701580), wk = 0.0021739 k( 406) = ( 0.5000000 0.2886751 0.1612024), wk = 0.0021739 k( 407) = ( 0.5000000 0.2886751 0.1522467), wk = 0.0021739 k( 408) = ( 0.5000000 0.2886751 0.1432910), wk = 0.0021739 k( 409) = ( 0.5000000 0.2886751 0.1343353), wk = 0.0021739 k( 410) = ( 0.5000000 0.2886751 0.1253796), wk = 0.0021739 k( 411) = ( 0.5000000 0.2886751 0.1164239), wk = 0.0021739 k( 412) = ( 0.5000000 0.2886751 0.1074682), wk = 0.0021739 k( 413) = ( 0.5000000 0.2886751 0.0985126), wk = 0.0021739 k( 414) = ( 0.5000000 0.2886751 0.0895569), wk = 0.0021739 k( 415) = ( 0.5000000 0.2886751 0.0806012), wk = 0.0021739 k( 416) = ( 0.5000000 0.2886751 0.0716455), wk = 0.0021739 k( 417) = ( 0.5000000 0.2886751 0.0626898), wk = 0.0021739 k( 418) = ( 0.5000000 0.2886751 0.0537341), wk = 0.0021739 k( 419) = ( 0.5000000 0.2886751 0.0447784), wk = 0.0021739 k( 420) = ( 0.5000000 0.2886751 0.0358227), wk = 0.0021739 k( 421) = ( 0.5000000 0.2886751 0.0268671), wk = 0.0021739 k( 422) = ( 0.5000000 0.2886751 0.0179114), wk = 0.0021739 k( 423) = ( 0.5000000 0.2886751 0.0089557), wk = 0.0021739 k( 424) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021739 k( 425) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021739 k( 426) = ( 0.3333333 0.5773503 0.0089557), wk = 0.0021739 k( 427) = ( 0.3333333 0.5773503 0.0179114), wk = 0.0021739 k( 428) = ( 0.3333333 0.5773503 0.0268671), wk = 0.0021739 k( 429) = ( 0.3333333 0.5773503 0.0358227), wk = 0.0021739 k( 430) = ( 0.3333333 0.5773503 0.0447784), wk = 0.0021739 k( 431) = ( 0.3333333 0.5773503 0.0537341), wk = 0.0021739 k( 432) = ( 0.3333333 0.5773503 0.0626898), wk = 0.0021739 k( 433) = ( 0.3333333 0.5773503 0.0716455), wk = 0.0021739 k( 434) = ( 0.3333333 0.5773503 0.0806012), wk = 0.0021739 k( 435) = ( 0.3333333 0.5773503 0.0895569), wk = 0.0021739 k( 436) = ( 0.3333333 0.5773503 0.0985126), wk = 0.0021739 k( 437) = ( 0.3333333 0.5773503 0.1074682), wk = 0.0021739 k( 438) = ( 0.3333333 0.5773503 0.1164239), wk = 0.0021739 k( 439) = ( 0.3333333 0.5773503 0.1253796), wk = 0.0021739 k( 440) = ( 0.3333333 0.5773503 0.1343353), wk = 0.0021739 k( 441) = ( 0.3333333 0.5773503 0.1432910), wk = 0.0021739 k( 442) = ( 0.3333333 0.5773503 0.1522467), wk = 0.0021739 k( 443) = ( 0.3333333 0.5773503 0.1612024), wk = 0.0021739 k( 444) = ( 0.3333333 0.5773503 0.1701580), wk = 0.0021739 k( 445) = ( 0.3333333 0.5773503 0.1791137), wk = 0.0021739 k( 446) = ( 0.3333333 0.5773503 0.1880694), wk = 0.0021739 k( 447) = ( 0.3333333 0.5773503 0.1970251), wk = 0.0021739 k( 448) = ( 0.3333333 0.5773503 0.2059808), wk = 0.0021739 k( 449) = ( 0.3333333 0.5773503 0.2149365), wk = 0.0021739 k( 450) = ( 0.3333333 0.5773503 0.2238922), wk = 0.0021739 k( 451) = ( 0.3333333 0.5773503 0.2328478), wk = 0.0021739 k( 452) = ( 0.3333333 0.5773503 0.2418035), wk = 0.0021739 k( 453) = ( 0.3333333 0.5773503 0.2507592), wk = 0.0021739 k( 454) = ( 0.3333333 0.5773503 0.2597149), wk = 0.0021739 k( 455) = ( 0.3333333 0.5773503 0.2686706), wk = 0.0021739 k( 456) = ( 0.3333333 0.5773503 0.2776263), wk = 0.0021739 k( 457) = ( 0.3333333 0.5773503 0.2865820), wk = 0.0021739 k( 458) = ( 0.3333333 0.5773503 0.2955377), wk = 0.0021739 k( 459) = ( 0.3333333 0.5773503 0.3044933), wk = 0.0021739 k( 460) = ( 0.3333333 0.5773503 0.3134490), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0079365 0.0000000 0.0000000), wk = 0.0021739 k( 3) = ( 0.0158730 0.0000000 0.0000000), wk = 0.0021739 k( 4) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0021739 k( 5) = ( 0.0317460 0.0000000 0.0000000), wk = 0.0021739 k( 6) = ( 0.0396825 0.0000000 0.0000000), wk = 0.0021739 k( 7) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0021739 k( 9) = ( 0.0634921 0.0000000 0.0000000), wk = 0.0021739 k( 10) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0021739 k( 11) = ( 0.0793651 0.0000000 0.0000000), wk = 0.0021739 k( 12) = ( 0.0873016 0.0000000 0.0000000), wk = 0.0021739 k( 13) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1031746 0.0000000 0.0000000), wk = 0.0021739 k( 15) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0021739 k( 16) = ( 0.1190476 -0.0000000 0.0000000), wk = 0.0021739 k( 17) = ( 0.1269841 0.0000000 0.0000000), wk = 0.0021739 k( 18) = ( 0.1349206 0.0000000 0.0000000), wk = 0.0021739 k( 19) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0021739 k( 20) = ( 0.1507937 0.0000000 0.0000000), wk = 0.0021739 k( 21) = ( 0.1587302 0.0000000 0.0000000), wk = 0.0021739 k( 22) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0021739 k( 23) = ( 0.1746032 0.0000000 0.0000000), wk = 0.0021739 k( 24) = ( 0.1825397 0.0000000 0.0000000), wk = 0.0021739 k( 25) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0021739 k( 26) = ( 0.1984127 0.0000000 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2063492 0.0000000 0.0000000), wk = 0.0021739 k( 28) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0021739 k( 29) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0021739 k( 30) = ( 0.2301587 -0.0000000 0.0000000), wk = 0.0021739 k( 31) = ( 0.2380952 -0.0000000 0.0000000), wk = 0.0021739 k( 32) = ( 0.2460317 0.0000000 0.0000000), wk = 0.0021739 k( 33) = ( 0.2539683 0.0000000 0.0000000), wk = 0.0021739 k( 34) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0021739 k( 35) = ( 0.2698413 0.0000000 0.0000000), wk = 0.0021739 k( 36) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0021739 k( 37) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0021739 k( 38) = ( 0.2936508 -0.0000000 0.0000000), wk = 0.0021739 k( 39) = ( 0.3015873 0.0000000 0.0000000), wk = 0.0021739 k( 40) = ( 0.3095238 0.0000000 -0.0000000), wk = 0.0021739 k( 41) = ( 0.3174603 0.0000000 0.0000000), wk = 0.0021739 k( 42) = ( 0.3253968 0.0000000 0.0000000), wk = 0.0021739 k( 43) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0021739 k( 44) = ( 0.3412698 0.0000000 0.0000000), wk = 0.0021739 k( 45) = ( 0.3492063 0.0000000 0.0000000), wk = 0.0021739 k( 46) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0021739 k( 47) = ( 0.3650794 0.0000000 0.0000000), wk = 0.0021739 k( 48) = ( 0.3730159 0.0000000 0.0000000), wk = 0.0021739 k( 49) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0021739 k( 50) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0021739 k( 51) = ( 0.3968254 0.0000000 -0.0000000), wk = 0.0021739 k( 52) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0021739 k( 53) = ( 0.4126984 0.0000000 0.0000000), wk = 0.0021739 k( 54) = ( 0.4206349 0.0000000 0.0000000), wk = 0.0021739 k( 55) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0021739 k( 56) = ( 0.4365079 0.0000000 0.0000000), wk = 0.0021739 k( 57) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0021739 k( 58) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0021739 k( 59) = ( 0.4603175 -0.0000000 0.0000000), wk = 0.0021739 k( 60) = ( 0.4682540 0.0000000 0.0000000), wk = 0.0021739 k( 61) = ( 0.4761905 -0.0000000 0.0000000), wk = 0.0021739 k( 62) = ( 0.4841270 0.0000000 0.0000000), wk = 0.0021739 k( 63) = ( 0.4920635 0.0000000 0.0000000), wk = 0.0021739 k( 64) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 65) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 66) = ( 0.4954955 0.0090090 0.0000000), wk = 0.0021739 k( 67) = ( 0.4909910 0.0180180 0.0000000), wk = 0.0021739 k( 68) = ( 0.4864865 0.0270270 0.0000000), wk = 0.0021739 k( 69) = ( 0.4819820 0.0360360 0.0000000), wk = 0.0021739 k( 70) = ( 0.4774775 0.0450451 0.0000000), wk = 0.0021739 k( 71) = ( 0.4729730 0.0540540 -0.0000000), wk = 0.0021739 k( 72) = ( 0.4684685 0.0630631 0.0000000), wk = 0.0021739 k( 73) = ( 0.4639640 0.0720721 0.0000000), wk = 0.0021739 k( 74) = ( 0.4594595 0.0810811 -0.0000000), wk = 0.0021739 k( 75) = ( 0.4549550 0.0900901 0.0000000), wk = 0.0021739 k( 76) = ( 0.4504505 0.0990991 -0.0000000), wk = 0.0021739 k( 77) = ( 0.4459459 0.1081081 0.0000000), wk = 0.0021739 k( 78) = ( 0.4414414 0.1171171 -0.0000000), wk = 0.0021739 k( 79) = ( 0.4369369 0.1261261 0.0000000), wk = 0.0021739 k( 80) = ( 0.4324324 0.1351351 0.0000000), wk = 0.0021739 k( 81) = ( 0.4279279 0.1441441 -0.0000000), wk = 0.0021739 k( 82) = ( 0.4234234 0.1531531 0.0000000), wk = 0.0021739 k( 83) = ( 0.4189189 0.1621622 0.0000000), wk = 0.0021739 k( 84) = ( 0.4144144 0.1711712 0.0000000), wk = 0.0021739 k( 85) = ( 0.4099099 0.1801802 0.0000000), wk = 0.0021739 k( 86) = ( 0.4054054 0.1891892 0.0000000), wk = 0.0021739 k( 87) = ( 0.4009009 0.1981982 0.0000000), wk = 0.0021739 k( 88) = ( 0.3963964 0.2072072 0.0000000), wk = 0.0021739 k( 89) = ( 0.3918919 0.2162162 0.0000000), wk = 0.0021739 k( 90) = ( 0.3873874 0.2252252 0.0000000), wk = 0.0021739 k( 91) = ( 0.3828829 0.2342342 0.0000000), wk = 0.0021739 k( 92) = ( 0.3783784 0.2432432 0.0000000), wk = 0.0021739 k( 93) = ( 0.3738739 0.2522523 0.0000000), wk = 0.0021739 k( 94) = ( 0.3693694 0.2612613 -0.0000000), wk = 0.0021739 k( 95) = ( 0.3648649 0.2702703 0.0000000), wk = 0.0021739 k( 96) = ( 0.3603604 0.2792793 -0.0000000), wk = 0.0021739 k( 97) = ( 0.3558559 0.2882883 0.0000000), wk = 0.0021739 k( 98) = ( 0.3513514 0.2972973 0.0000000), wk = 0.0021739 k( 99) = ( 0.3468468 0.3063063 0.0000000), wk = 0.0021739 k( 100) = ( 0.3423423 0.3153153 0.0000000), wk = 0.0021739 k( 101) = ( 0.3378378 0.3243243 -0.0000000), wk = 0.0021739 k( 102) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021739 k( 103) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021739 k( 104) = ( 0.3287671 0.3287671 0.0000000), wk = 0.0021739 k( 105) = ( 0.3242009 0.3242009 0.0000000), wk = 0.0021739 k( 106) = ( 0.3196347 0.3196347 -0.0000000), wk = 0.0021739 k( 107) = ( 0.3150685 0.3150685 0.0000000), wk = 0.0021739 k( 108) = ( 0.3105023 0.3105023 -0.0000000), wk = 0.0021739 k( 109) = ( 0.3059361 0.3059361 0.0000000), wk = 0.0021739 k( 110) = ( 0.3013699 0.3013699 -0.0000000), wk = 0.0021739 k( 111) = ( 0.2968036 0.2968036 0.0000000), wk = 0.0021739 k( 112) = ( 0.2922374 0.2922374 -0.0000000), wk = 0.0021739 k( 113) = ( 0.2876712 0.2876712 0.0000000), wk = 0.0021739 k( 114) = ( 0.2831050 0.2831050 0.0000000), wk = 0.0021739 k( 115) = ( 0.2785388 0.2785388 -0.0000000), wk = 0.0021739 k( 116) = ( 0.2739726 0.2739726 0.0000000), wk = 0.0021739 k( 117) = ( 0.2694064 0.2694064 0.0000000), wk = 0.0021739 k( 118) = ( 0.2648402 0.2648402 -0.0000000), wk = 0.0021739 k( 119) = ( 0.2602740 0.2602740 -0.0000000), wk = 0.0021739 k( 120) = ( 0.2557078 0.2557078 -0.0000000), wk = 0.0021739 k( 121) = ( 0.2511415 0.2511415 0.0000000), wk = 0.0021739 k( 122) = ( 0.2465753 0.2465753 -0.0000000), wk = 0.0021739 k( 123) = ( 0.2420091 0.2420091 0.0000000), wk = 0.0021739 k( 124) = ( 0.2374429 0.2374429 0.0000000), wk = 0.0021739 k( 125) = ( 0.2328767 0.2328767 0.0000000), wk = 0.0021739 k( 126) = ( 0.2283105 0.2283105 0.0000000), wk = 0.0021739 k( 127) = ( 0.2237443 0.2237443 -0.0000000), wk = 0.0021739 k( 128) = ( 0.2191781 0.2191781 0.0000000), wk = 0.0021739 k( 129) = ( 0.2146119 0.2146119 0.0000000), wk = 0.0021739 k( 130) = ( 0.2100457 0.2100457 0.0000000), wk = 0.0021739 k( 131) = ( 0.2054795 0.2054795 0.0000000), wk = 0.0021739 k( 132) = ( 0.2009132 0.2009132 0.0000000), wk = 0.0021739 k( 133) = ( 0.1963470 0.1963470 0.0000000), wk = 0.0021739 k( 134) = ( 0.1917808 0.1917808 0.0000000), wk = 0.0021739 k( 135) = ( 0.1872146 0.1872146 -0.0000000), wk = 0.0021739 k( 136) = ( 0.1826484 0.1826484 0.0000000), wk = 0.0021739 k( 137) = ( 0.1780822 0.1780822 0.0000000), wk = 0.0021739 k( 138) = ( 0.1735160 0.1735160 0.0000000), wk = 0.0021739 k( 139) = ( 0.1689498 0.1689498 0.0000000), wk = 0.0021739 k( 140) = ( 0.1643836 0.1643836 0.0000000), wk = 0.0021739 k( 141) = ( 0.1598173 0.1598173 -0.0000000), wk = 0.0021739 k( 142) = ( 0.1552511 0.1552511 -0.0000000), wk = 0.0021739 k( 143) = ( 0.1506849 0.1506849 -0.0000000), wk = 0.0021739 k( 144) = ( 0.1461187 0.1461187 -0.0000000), wk = 0.0021739 k( 145) = ( 0.1415525 0.1415525 0.0000000), wk = 0.0021739 k( 146) = ( 0.1369863 0.1369863 0.0000000), wk = 0.0021739 k( 147) = ( 0.1324201 0.1324201 -0.0000000), wk = 0.0021739 k( 148) = ( 0.1278539 0.1278539 -0.0000000), wk = 0.0021739 k( 149) = ( 0.1232877 0.1232877 -0.0000000), wk = 0.0021739 k( 150) = ( 0.1187215 0.1187215 0.0000000), wk = 0.0021739 k( 151) = ( 0.1141552 0.1141552 0.0000000), wk = 0.0021739 k( 152) = ( 0.1095890 0.1095890 0.0000000), wk = 0.0021739 k( 153) = ( 0.1050228 0.1050228 0.0000000), wk = 0.0021739 k( 154) = ( 0.1004566 0.1004566 0.0000000), wk = 0.0021739 k( 155) = ( 0.0958904 0.0958904 0.0000000), wk = 0.0021739 k( 156) = ( 0.0913242 0.0913242 0.0000000), wk = 0.0021739 k( 157) = ( 0.0867580 0.0867580 0.0000000), wk = 0.0021739 k( 158) = ( 0.0821918 0.0821918 0.0000000), wk = 0.0021739 k( 159) = ( 0.0776256 0.0776256 -0.0000000), wk = 0.0021739 k( 160) = ( 0.0730594 0.0730594 -0.0000000), wk = 0.0021739 k( 161) = ( 0.0684932 0.0684932 0.0000000), wk = 0.0021739 k( 162) = ( 0.0639269 0.0639269 -0.0000000), wk = 0.0021739 k( 163) = ( 0.0593607 0.0593607 0.0000000), wk = 0.0021739 k( 164) = ( 0.0547945 0.0547945 0.0000000), wk = 0.0021739 k( 165) = ( 0.0502283 0.0502283 0.0000000), wk = 0.0021739 k( 166) = ( 0.0456621 0.0456621 0.0000000), wk = 0.0021739 k( 167) = ( 0.0410959 0.0410959 0.0000000), wk = 0.0021739 k( 168) = ( 0.0365297 0.0365297 -0.0000000), wk = 0.0021739 k( 169) = ( 0.0319635 0.0319635 -0.0000000), wk = 0.0021739 k( 170) = ( 0.0273973 0.0273973 0.0000000), wk = 0.0021739 k( 171) = ( 0.0228310 0.0228311 0.0000000), wk = 0.0021739 k( 172) = ( 0.0182648 0.0182648 -0.0000000), wk = 0.0021739 k( 173) = ( 0.0136986 0.0136986 0.0000000), wk = 0.0021739 k( 174) = ( 0.0091324 0.0091324 -0.0000000), wk = 0.0021739 k( 175) = ( 0.0045662 0.0045662 -0.0000000), wk = 0.0021739 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0021739 k( 208) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0021739 k( 209) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0021739 k( 210) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0021739 k( 211) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0021739 k( 212) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 214) = ( 0.0079365 0.0000000 0.5000000), wk = 0.0021739 k( 215) = ( 0.0158730 0.0000000 0.5000000), wk = 0.0021739 k( 216) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0021739 k( 217) = ( 0.0317460 0.0000000 0.5000000), wk = 0.0021739 k( 218) = ( 0.0396825 0.0000000 0.5000000), wk = 0.0021739 k( 219) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0021739 k( 220) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0021739 k( 221) = ( 0.0634921 0.0000000 0.5000000), wk = 0.0021739 k( 222) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0021739 k( 223) = ( 0.0793651 0.0000000 0.5000000), wk = 0.0021739 k( 224) = ( 0.0873016 0.0000000 0.5000000), wk = 0.0021739 k( 225) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0021739 k( 226) = ( 0.1031746 0.0000000 0.5000000), wk = 0.0021739 k( 227) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0021739 k( 228) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0021739 k( 229) = ( 0.1269841 0.0000000 0.5000000), wk = 0.0021739 k( 230) = ( 0.1349206 0.0000000 0.5000000), wk = 0.0021739 k( 231) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0021739 k( 232) = ( 0.1507937 0.0000000 0.5000000), wk = 0.0021739 k( 233) = ( 0.1587302 0.0000000 0.5000000), wk = 0.0021739 k( 234) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0021739 k( 235) = ( 0.1746032 0.0000000 0.5000000), wk = 0.0021739 k( 236) = ( 0.1825397 0.0000000 0.5000000), wk = 0.0021739 k( 237) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0021739 k( 238) = ( 0.1984127 0.0000000 0.5000000), wk = 0.0021739 k( 239) = ( 0.2063492 0.0000000 0.5000000), wk = 0.0021739 k( 240) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0021739 k( 241) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0021739 k( 242) = ( 0.2301587 -0.0000000 0.5000000), wk = 0.0021739 k( 243) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0021739 k( 244) = ( 0.2460317 0.0000000 0.5000000), wk = 0.0021739 k( 245) = ( 0.2539683 0.0000000 0.5000000), wk = 0.0021739 k( 246) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0021739 k( 247) = ( 0.2698413 0.0000000 0.5000000), wk = 0.0021739 k( 248) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0021739 k( 249) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0021739 k( 250) = ( 0.2936508 -0.0000000 0.5000000), wk = 0.0021739 k( 251) = ( 0.3015873 0.0000000 0.5000000), wk = 0.0021739 k( 252) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0021739 k( 253) = ( 0.3174603 0.0000000 0.5000000), wk = 0.0021739 k( 254) = ( 0.3253968 0.0000000 0.5000000), wk = 0.0021739 k( 255) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0021739 k( 256) = ( 0.3412698 0.0000000 0.5000000), wk = 0.0021739 k( 257) = ( 0.3492063 0.0000000 0.5000000), wk = 0.0021739 k( 258) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0021739 k( 259) = ( 0.3650794 0.0000000 0.5000000), wk = 0.0021739 k( 260) = ( 0.3730159 0.0000000 0.5000000), wk = 0.0021739 k( 261) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0021739 k( 262) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0021739 k( 263) = ( 0.3968254 0.0000000 0.5000000), wk = 0.0021739 k( 264) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0021739 k( 265) = ( 0.4126984 0.0000000 0.5000000), wk = 0.0021739 k( 266) = ( 0.4206349 0.0000000 0.5000000), wk = 0.0021739 k( 267) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0021739 k( 268) = ( 0.4365079 0.0000000 0.5000000), wk = 0.0021739 k( 269) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0021739 k( 270) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0021739 k( 271) = ( 0.4603175 -0.0000000 0.5000000), wk = 0.0021739 k( 272) = ( 0.4682540 0.0000000 0.5000000), wk = 0.0021739 k( 273) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0021739 k( 274) = ( 0.4841270 0.0000000 0.5000000), wk = 0.0021739 k( 275) = ( 0.4920635 0.0000000 0.5000000), wk = 0.0021739 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 277) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 278) = ( 0.4954955 0.0090090 0.5000000), wk = 0.0021739 k( 279) = ( 0.4909910 0.0180180 0.5000000), wk = 0.0021739 k( 280) = ( 0.4864865 0.0270270 0.5000000), wk = 0.0021739 k( 281) = ( 0.4819820 0.0360360 0.5000000), wk = 0.0021739 k( 282) = ( 0.4774775 0.0450451 0.5000000), wk = 0.0021739 k( 283) = ( 0.4729730 0.0540540 0.5000000), wk = 0.0021739 k( 284) = ( 0.4684685 0.0630631 0.5000000), wk = 0.0021739 k( 285) = ( 0.4639640 0.0720721 0.5000000), wk = 0.0021739 k( 286) = ( 0.4594595 0.0810811 0.5000000), wk = 0.0021739 k( 287) = ( 0.4549550 0.0900901 0.5000000), wk = 0.0021739 k( 288) = ( 0.4504505 0.0990991 0.5000000), wk = 0.0021739 k( 289) = ( 0.4459459 0.1081081 0.5000000), wk = 0.0021739 k( 290) = ( 0.4414414 0.1171171 0.5000000), wk = 0.0021739 k( 291) = ( 0.4369369 0.1261261 0.5000000), wk = 0.0021739 k( 292) = ( 0.4324324 0.1351351 0.5000000), wk = 0.0021739 k( 293) = ( 0.4279279 0.1441441 0.5000000), wk = 0.0021739 k( 294) = ( 0.4234234 0.1531531 0.5000000), wk = 0.0021739 k( 295) = ( 0.4189189 0.1621622 0.5000000), wk = 0.0021739 k( 296) = ( 0.4144144 0.1711712 0.5000000), wk = 0.0021739 k( 297) = ( 0.4099099 0.1801802 0.5000000), wk = 0.0021739 k( 298) = ( 0.4054054 0.1891892 0.5000000), wk = 0.0021739 k( 299) = ( 0.4009009 0.1981982 0.5000000), wk = 0.0021739 k( 300) = ( 0.3963964 0.2072072 0.5000000), wk = 0.0021739 k( 301) = ( 0.3918919 0.2162162 0.5000000), wk = 0.0021739 k( 302) = ( 0.3873874 0.2252252 0.5000000), wk = 0.0021739 k( 303) = ( 0.3828829 0.2342342 0.5000000), wk = 0.0021739 k( 304) = ( 0.3783784 0.2432432 0.5000000), wk = 0.0021739 k( 305) = ( 0.3738739 0.2522523 0.5000000), wk = 0.0021739 k( 306) = ( 0.3693694 0.2612613 0.5000000), wk = 0.0021739 k( 307) = ( 0.3648649 0.2702703 0.5000000), wk = 0.0021739 k( 308) = ( 0.3603604 0.2792793 0.5000000), wk = 0.0021739 k( 309) = ( 0.3558559 0.2882883 0.5000000), wk = 0.0021739 k( 310) = ( 0.3513514 0.2972973 0.5000000), wk = 0.0021739 k( 311) = ( 0.3468468 0.3063063 0.5000000), wk = 0.0021739 k( 312) = ( 0.3423423 0.3153153 0.5000000), wk = 0.0021739 k( 313) = ( 0.3378378 0.3243243 0.5000000), wk = 0.0021739 k( 314) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021739 k( 315) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021739 k( 316) = ( 0.3287671 0.3287671 0.5000000), wk = 0.0021739 k( 317) = ( 0.3242009 0.3242009 0.5000000), wk = 0.0021739 k( 318) = ( 0.3196347 0.3196347 0.5000000), wk = 0.0021739 k( 319) = ( 0.3150685 0.3150685 0.5000000), wk = 0.0021739 k( 320) = ( 0.3105023 0.3105023 0.5000000), wk = 0.0021739 k( 321) = ( 0.3059361 0.3059361 0.5000000), wk = 0.0021739 k( 322) = ( 0.3013699 0.3013699 0.5000000), wk = 0.0021739 k( 323) = ( 0.2968036 0.2968036 0.5000000), wk = 0.0021739 k( 324) = ( 0.2922374 0.2922374 0.5000000), wk = 0.0021739 k( 325) = ( 0.2876712 0.2876712 0.5000000), wk = 0.0021739 k( 326) = ( 0.2831050 0.2831050 0.5000000), wk = 0.0021739 k( 327) = ( 0.2785388 0.2785388 0.5000000), wk = 0.0021739 k( 328) = ( 0.2739726 0.2739726 0.5000000), wk = 0.0021739 k( 329) = ( 0.2694064 0.2694064 0.5000000), wk = 0.0021739 k( 330) = ( 0.2648402 0.2648402 0.5000000), wk = 0.0021739 k( 331) = ( 0.2602740 0.2602740 0.5000000), wk = 0.0021739 k( 332) = ( 0.2557078 0.2557078 0.5000000), wk = 0.0021739 k( 333) = ( 0.2511415 0.2511415 0.5000000), wk = 0.0021739 k( 334) = ( 0.2465753 0.2465753 0.5000000), wk = 0.0021739 k( 335) = ( 0.2420091 0.2420091 0.5000000), wk = 0.0021739 k( 336) = ( 0.2374429 0.2374429 0.5000000), wk = 0.0021739 k( 337) = ( 0.2328767 0.2328767 0.5000000), wk = 0.0021739 k( 338) = ( 0.2283105 0.2283105 0.5000000), wk = 0.0021739 k( 339) = ( 0.2237443 0.2237443 0.5000000), wk = 0.0021739 k( 340) = ( 0.2191781 0.2191781 0.5000000), wk = 0.0021739 k( 341) = ( 0.2146119 0.2146119 0.5000000), wk = 0.0021739 k( 342) = ( 0.2100457 0.2100457 0.5000000), wk = 0.0021739 k( 343) = ( 0.2054795 0.2054795 0.5000000), wk = 0.0021739 k( 344) = ( 0.2009132 0.2009132 0.5000000), wk = 0.0021739 k( 345) = ( 0.1963470 0.1963470 0.5000000), wk = 0.0021739 k( 346) = ( 0.1917808 0.1917808 0.5000000), wk = 0.0021739 k( 347) = ( 0.1872146 0.1872146 0.5000000), wk = 0.0021739 k( 348) = ( 0.1826484 0.1826484 0.5000000), wk = 0.0021739 k( 349) = ( 0.1780822 0.1780822 0.5000000), wk = 0.0021739 k( 350) = ( 0.1735160 0.1735160 0.5000000), wk = 0.0021739 k( 351) = ( 0.1689498 0.1689498 0.5000000), wk = 0.0021739 k( 352) = ( 0.1643836 0.1643836 0.5000000), wk = 0.0021739 k( 353) = ( 0.1598173 0.1598173 0.5000000), wk = 0.0021739 k( 354) = ( 0.1552511 0.1552511 0.5000000), wk = 0.0021739 k( 355) = ( 0.1506849 0.1506849 0.5000000), wk = 0.0021739 k( 356) = ( 0.1461187 0.1461187 0.5000000), wk = 0.0021739 k( 357) = ( 0.1415525 0.1415525 0.5000000), wk = 0.0021739 k( 358) = ( 0.1369863 0.1369863 0.5000000), wk = 0.0021739 k( 359) = ( 0.1324201 0.1324201 0.5000000), wk = 0.0021739 k( 360) = ( 0.1278539 0.1278539 0.5000000), wk = 0.0021739 k( 361) = ( 0.1232877 0.1232877 0.5000000), wk = 0.0021739 k( 362) = ( 0.1187215 0.1187215 0.5000000), wk = 0.0021739 k( 363) = ( 0.1141552 0.1141552 0.5000000), wk = 0.0021739 k( 364) = ( 0.1095890 0.1095890 0.5000000), wk = 0.0021739 k( 365) = ( 0.1050228 0.1050228 0.5000000), wk = 0.0021739 k( 366) = ( 0.1004566 0.1004566 0.5000000), wk = 0.0021739 k( 367) = ( 0.0958904 0.0958904 0.5000000), wk = 0.0021739 k( 368) = ( 0.0913242 0.0913242 0.5000000), wk = 0.0021739 k( 369) = ( 0.0867580 0.0867580 0.5000000), wk = 0.0021739 k( 370) = ( 0.0821918 0.0821918 0.5000000), wk = 0.0021739 k( 371) = ( 0.0776256 0.0776256 0.5000000), wk = 0.0021739 k( 372) = ( 0.0730594 0.0730594 0.5000000), wk = 0.0021739 k( 373) = ( 0.0684932 0.0684932 0.5000000), wk = 0.0021739 k( 374) = ( 0.0639269 0.0639269 0.5000000), wk = 0.0021739 k( 375) = ( 0.0593607 0.0593607 0.5000000), wk = 0.0021739 k( 376) = ( 0.0547945 0.0547945 0.5000000), wk = 0.0021739 k( 377) = ( 0.0502283 0.0502283 0.5000000), wk = 0.0021739 k( 378) = ( 0.0456621 0.0456621 0.5000000), wk = 0.0021739 k( 379) = ( 0.0410959 0.0410959 0.5000000), wk = 0.0021739 k( 380) = ( 0.0365297 0.0365297 0.5000000), wk = 0.0021739 k( 381) = ( 0.0319635 0.0319635 0.5000000), wk = 0.0021739 k( 382) = ( 0.0273973 0.0273973 0.5000000), wk = 0.0021739 k( 383) = ( 0.0228310 0.0228311 0.5000000), wk = 0.0021739 k( 384) = ( 0.0182648 0.0182648 0.5000000), wk = 0.0021739 k( 385) = ( 0.0136986 0.0136986 0.5000000), wk = 0.0021739 k( 386) = ( 0.0091324 0.0091324 0.5000000), wk = 0.0021739 k( 387) = ( 0.0045662 0.0045662 0.5000000), wk = 0.0021739 k( 388) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 389) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021739 k( 390) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0021739 k( 391) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0021739 k( 392) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0021739 k( 393) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0021739 k( 394) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0021739 k( 395) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0021739 k( 396) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0021739 k( 397) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0021739 k( 398) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0021739 k( 399) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0021739 k( 400) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0021739 k( 401) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0021739 k( 402) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0021739 k( 403) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0021739 k( 404) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0021739 k( 405) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0021739 k( 406) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0021739 k( 407) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0021739 k( 408) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0021739 k( 409) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0021739 k( 410) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0021739 k( 411) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0021739 k( 412) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0021739 k( 413) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0021739 k( 414) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0021739 k( 415) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0021739 k( 416) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0021739 k( 417) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0021739 k( 418) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0021739 k( 419) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0021739 k( 420) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0021739 k( 421) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0021739 k( 422) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0021739 k( 423) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0021739 k( 424) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021739 k( 425) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021739 k( 426) = ( 0.3333333 0.3333333 0.0142857), wk = 0.0021739 k( 427) = ( 0.3333333 0.3333333 0.0285714), wk = 0.0021739 k( 428) = ( 0.3333333 0.3333333 0.0428571), wk = 0.0021739 k( 429) = ( 0.3333333 0.3333333 0.0571429), wk = 0.0021739 k( 430) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0021739 k( 431) = ( 0.3333333 0.3333333 0.0857143), wk = 0.0021739 k( 432) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0021739 k( 433) = ( 0.3333333 0.3333333 0.1142857), wk = 0.0021739 k( 434) = ( 0.3333333 0.3333333 0.1285714), wk = 0.0021739 k( 435) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0021739 k( 436) = ( 0.3333333 0.3333333 0.1571429), wk = 0.0021739 k( 437) = ( 0.3333333 0.3333333 0.1714286), wk = 0.0021739 k( 438) = ( 0.3333333 0.3333333 0.1857143), wk = 0.0021739 k( 439) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0021739 k( 440) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0021739 k( 441) = ( 0.3333333 0.3333333 0.2285714), wk = 0.0021739 k( 442) = ( 0.3333333 0.3333333 0.2428571), wk = 0.0021739 k( 443) = ( 0.3333333 0.3333333 0.2571429), wk = 0.0021739 k( 444) = ( 0.3333333 0.3333333 0.2714286), wk = 0.0021739 k( 445) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0021739 k( 446) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0021739 k( 447) = ( 0.3333333 0.3333333 0.3142857), wk = 0.0021739 k( 448) = ( 0.3333333 0.3333333 0.3285714), wk = 0.0021739 k( 449) = ( 0.3333333 0.3333333 0.3428571), wk = 0.0021739 k( 450) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0021739 k( 451) = ( 0.3333333 0.3333333 0.3714286), wk = 0.0021739 k( 452) = ( 0.3333333 0.3333333 0.3857143), wk = 0.0021739 k( 453) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0021739 k( 454) = ( 0.3333333 0.3333333 0.4142857), wk = 0.0021739 k( 455) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0021739 k( 456) = ( 0.3333333 0.3333333 0.4428571), wk = 0.0021739 k( 457) = ( 0.3333333 0.3333333 0.4571429), wk = 0.0021739 k( 458) = ( 0.3333333 0.3333333 0.4714286), wk = 0.0021739 k( 459) = ( 0.3333333 0.3333333 0.4857143), wk = 0.0021739 k( 460) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021739 Dense grid: 13957 G-vectors FFT dimensions: ( 27, 27, 45) Smooth grid: 9499 G-vectors FFT dimensions: ( 24, 24, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 56, 32) NL pseudopotentials 0.03 Mb ( 28, 72) Each V/rho on FFT grid 0.01 Mb ( 729) Each G-vector array 0.00 Mb ( 292) G-vector shells 0.00 Mb ( 151) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 56, 128) Each subspace H/S matrix 0.25 Mb ( 128, 128) Each matrix 0.07 Mb ( 72, 2, 32) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CuH.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.7 secs Computing kpt #: 2 total cpu time spent up to now is 41.0 secs Computing kpt #: 3 total cpu time spent up to now is 41.4 secs Computing kpt #: 4 total cpu time spent up to now is 41.7 secs Computing kpt #: 5 total cpu time spent up to now is 42.1 secs Computing kpt #: 6 total cpu time spent up to now is 42.5 secs Computing kpt #: 7 total cpu time spent up to now is 42.8 secs Computing kpt #: 8 total cpu time spent up to now is 43.2 secs Computing kpt #: 9 total cpu time spent up to now is 43.5 secs Computing kpt #: 10 total cpu time spent up to now is 43.9 secs Computing kpt #: 11 total cpu time spent up to now is 44.2 secs Computing kpt #: 12 total cpu time spent up to now is 44.6 secs Computing kpt #: 13 total cpu time spent up to now is 44.9 secs Computing kpt #: 14 total cpu time spent up to now is 45.2 secs Computing kpt #: 15 total cpu time spent up to now is 45.6 secs Computing kpt #: 16 total cpu time spent up to now is 45.9 secs Computing kpt #: 17 total cpu time spent up to now is 46.2 secs Computing kpt #: 18 total cpu time spent up to now is 46.5 secs Computing kpt #: 19 total cpu time spent up to now is 46.8 secs Computing kpt #: 20 total cpu time spent up to now is 47.1 secs Computing kpt #: 21 total cpu time spent up to now is 47.4 secs Computing kpt #: 22 total cpu time spent up to now is 47.8 secs Computing kpt #: 23 total cpu time spent up to now is 48.1 secs Computing kpt #: 24 total cpu time spent up to now is 48.4 secs Computing kpt #: 25 total cpu time spent up to now is 48.7 secs Computing kpt #: 26 total cpu time spent up to now is 49.0 secs Computing kpt #: 27 total cpu time spent up to now is 49.3 secs Computing kpt #: 28 total cpu time spent up to now is 49.6 secs Computing kpt #: 29 total cpu time spent up to now is 49.9 secs Computing kpt #: 30 total cpu time spent up to now is 50.1 secs Computing kpt #: 31 total cpu time spent up to now is 50.4 secs Computing kpt #: 32 total cpu time spent up to now is 50.7 secs Computing kpt #: 33 total cpu time spent up to now is 51.0 secs Computing kpt #: 34 total cpu time spent up to now is 51.4 secs Computing kpt #: 35 total cpu time spent up to now is 51.7 secs Computing kpt #: 36 total cpu time spent up to now is 52.1 secs Computing kpt #: 37 total cpu time spent up to now is 52.4 secs Computing kpt #: 38 total cpu time spent up to now is 52.7 secs Computing kpt #: 39 total cpu time spent up to now is 53.1 secs Computing kpt #: 40 total cpu time spent up to now is 53.4 secs Computing kpt #: 41 total cpu time spent up to now is 53.7 secs Computing kpt #: 42 total cpu time spent up to now is 54.0 secs Computing kpt #: 43 total cpu time spent up to now is 54.6 secs Computing kpt #: 44 total cpu time spent up to now is 55.1 secs Computing kpt #: 45 total cpu time spent up to now is 55.6 secs Computing kpt #: 46 total cpu time spent up to now is 56.1 secs Computing kpt #: 47 total cpu time spent up to now is 56.5 secs Computing kpt #: 48 total cpu time spent up to now is 56.8 secs Computing kpt #: 49 total cpu time spent up to now is 57.2 secs Computing kpt #: 50 total cpu time spent up to now is 57.5 secs Computing kpt #: 51 total cpu time spent up to now is 57.9 secs Computing kpt #: 52 total cpu time spent up to now is 58.3 secs Computing kpt #: 53 total cpu time spent up to now is 58.9 secs Computing kpt #: 54 total cpu time spent up to now is 59.3 secs Computing kpt #: 55 total cpu time spent up to now is 59.6 secs Computing kpt #: 56 total cpu time spent up to now is 59.9 secs Computing kpt #: 57 total cpu time spent up to now is 60.3 secs Computing kpt #: 58 total cpu time spent up to now is 60.6 secs Computing kpt #: 59 total cpu time spent up to now is 60.9 secs Computing kpt #: 60 total cpu time spent up to now is 61.2 secs Computing kpt #: 61 total cpu time spent up to now is 61.6 secs Computing kpt #: 62 total cpu time spent up to now is 61.9 secs Computing kpt #: 63 total cpu time spent up to now is 62.3 secs Computing kpt #: 64 total cpu time spent up to now is 62.6 secs Computing kpt #: 65 total cpu time spent up to now is 62.9 secs Computing kpt #: 66 total cpu time spent up to now is 63.3 secs Computing kpt #: 67 total cpu time spent up to now is 63.7 secs Computing kpt #: 68 total cpu time spent up to now is 64.0 secs Computing kpt #: 69 total cpu time spent up to now is 64.5 secs Computing kpt #: 70 total cpu time spent up to now is 65.0 secs Computing kpt #: 71 total cpu time spent up to now is 65.4 secs Computing kpt #: 72 total cpu time spent up to now is 65.7 secs Computing kpt #: 73 total cpu time spent up to now is 66.1 secs Computing kpt #: 74 total cpu time spent up to now is 66.5 secs Computing kpt #: 75 total cpu time spent up to now is 66.9 secs Computing kpt #: 76 total cpu time spent up to now is 67.2 secs Computing kpt #: 77 total cpu time spent up to now is 67.5 secs Computing kpt #: 78 total cpu time spent up to now is 67.8 secs Computing kpt #: 79 total cpu time spent up to now is 68.1 secs Computing kpt #: 80 total cpu time spent up to now is 68.4 secs Computing kpt #: 81 total cpu time spent up to now is 68.8 secs Computing kpt #: 82 total cpu time spent up to now is 69.1 secs Computing kpt #: 83 total cpu time spent up to now is 69.4 secs Computing kpt #: 84 total cpu time spent up to now is 69.8 secs Computing kpt #: 85 total cpu time spent up to now is 70.2 secs Computing kpt #: 86 total cpu time spent up to now is 70.8 secs Computing kpt #: 87 total cpu time spent up to now is 71.2 secs Computing kpt #: 88 total cpu time spent up to now is 71.5 secs Computing kpt #: 89 total cpu time spent up to now is 71.9 secs Computing kpt #: 90 total cpu time spent up to now is 72.3 secs Computing kpt #: 91 total cpu time spent up to now is 72.7 secs Computing kpt #: 92 total cpu time spent up to now is 73.0 secs Computing kpt #: 93 total cpu time spent up to now is 73.3 secs Computing kpt #: 94 total cpu time spent up to now is 73.7 secs Computing kpt #: 95 total cpu time spent up to now is 74.0 secs Computing kpt #: 96 total cpu time spent up to now is 74.3 secs Computing kpt #: 97 total cpu time spent up to now is 74.7 secs Computing kpt #: 98 total cpu time spent up to now is 75.1 secs Computing kpt #: 99 total cpu time spent up to now is 75.4 secs Computing kpt #: 100 total cpu time spent up to now is 75.8 secs Computing kpt #: 101 total cpu time spent up to now is 76.2 secs Computing kpt #: 102 total cpu time spent up to now is 76.5 secs Computing kpt #: 103 total cpu time spent up to now is 76.8 secs Computing kpt #: 104 total cpu time spent up to now is 77.1 secs Computing kpt #: 105 total cpu time spent up to now is 77.5 secs Computing kpt #: 106 total cpu time spent up to now is 77.8 secs Computing kpt #: 107 total cpu time spent up to now is 78.1 secs Computing kpt #: 108 total cpu time spent up to now is 78.5 secs Computing kpt #: 109 total cpu time spent up to now is 78.8 secs Computing kpt #: 110 total cpu time spent up to now is 79.1 secs Computing kpt #: 111 total cpu time spent up to now is 79.4 secs Computing kpt #: 112 total cpu time spent up to now is 79.7 secs Computing kpt #: 113 total cpu time spent up to now is 80.0 secs Computing kpt #: 114 total cpu time spent up to now is 80.3 secs Computing kpt #: 115 total cpu time spent up to now is 80.5 secs Computing kpt #: 116 total cpu time spent up to now is 80.9 secs Computing kpt #: 117 total cpu time spent up to now is 81.3 secs Computing kpt #: 118 total cpu time spent up to now is 81.6 secs Computing kpt #: 119 total cpu time spent up to now is 81.9 secs Computing kpt #: 120 total cpu time spent up to now is 82.2 secs Computing kpt #: 121 total cpu time spent up to now is 82.5 secs Computing kpt #: 122 total cpu time spent up to now is 82.8 secs Computing kpt #: 123 total cpu time spent up to now is 83.1 secs Computing kpt #: 124 total cpu time spent up to now is 83.4 secs Computing kpt #: 125 total cpu time spent up to now is 84.0 secs Computing kpt #: 126 total cpu time spent up to now is 84.2 secs Computing kpt #: 127 total cpu time spent up to now is 84.5 secs Computing kpt #: 128 total cpu time spent up to now is 84.8 secs Computing kpt #: 129 total cpu time spent up to now is 85.1 secs Computing kpt #: 130 total cpu time spent up to now is 85.4 secs Computing kpt #: 131 total cpu time spent up to now is 85.7 secs Computing kpt #: 132 total cpu time spent up to now is 86.0 secs Computing kpt #: 133 total cpu time spent up to now is 86.3 secs Computing kpt #: 134 total cpu time spent up to now is 86.6 secs Computing kpt #: 135 total cpu time spent up to now is 86.9 secs Computing kpt #: 136 total cpu time spent up to now is 87.3 secs Computing kpt #: 137 total cpu time spent up to now is 87.6 secs Computing kpt #: 138 total cpu time spent up to now is 88.1 secs Computing kpt #: 139 total cpu time spent up to now is 88.4 secs Computing kpt #: 140 total cpu time spent up to now is 88.7 secs Computing kpt #: 141 total cpu time spent up to now is 89.0 secs Computing kpt #: 142 total cpu time spent up to now is 89.3 secs Computing kpt #: 143 total cpu time spent up to now is 89.6 secs Computing kpt #: 144 total cpu time spent up to now is 89.9 secs Computing kpt #: 145 total cpu time spent up to now is 90.2 secs Computing kpt #: 146 total cpu time spent up to now is 90.5 secs Computing kpt #: 147 total cpu time spent up to now is 90.8 secs Computing kpt #: 148 total cpu time spent up to now is 91.1 secs Computing kpt #: 149 total cpu time spent up to now is 91.4 secs Computing kpt #: 150 total cpu time spent up to now is 91.7 secs Computing kpt #: 151 total cpu time spent up to now is 92.0 secs Computing kpt #: 152 total cpu time spent up to now is 92.4 secs Computing kpt #: 153 total cpu time spent up to now is 92.7 secs Computing kpt #: 154 total cpu time spent up to now is 93.0 secs Computing kpt #: 155 total cpu time spent up to now is 93.4 secs Computing kpt #: 156 total cpu time spent up to now is 93.7 secs Computing kpt #: 157 total cpu time spent up to now is 94.1 secs Computing kpt #: 158 total cpu time spent up to now is 94.5 secs Computing kpt #: 159 total cpu time spent up to now is 94.8 secs Computing kpt #: 160 total cpu time spent up to now is 95.1 secs Computing kpt #: 161 total cpu time spent up to now is 95.5 secs Computing kpt #: 162 total cpu time spent up to now is 95.8 secs Computing kpt #: 163 total cpu time spent up to now is 96.1 secs Computing kpt #: 164 total cpu time spent up to now is 96.4 secs Computing kpt #: 165 total cpu time spent up to now is 96.8 secs Computing kpt #: 166 total cpu time spent up to now is 97.1 secs Computing kpt #: 167 total cpu time spent up to now is 97.4 secs Computing kpt #: 168 total cpu time spent up to now is 97.8 secs Computing kpt #: 169 total cpu time spent up to now is 98.1 secs Computing kpt #: 170 total cpu time spent up to now is 98.5 secs Computing kpt #: 171 total cpu time spent up to now is 99.0 secs Computing kpt #: 172 total cpu time spent up to now is 99.6 secs Computing kpt #: 173 total cpu time spent up to now is 100.2 secs Computing kpt #: 174 total cpu time spent up to now is 100.6 secs Computing kpt #: 175 total cpu time spent up to now is 101.0 secs Computing kpt #: 176 total cpu time spent up to now is 101.4 secs Computing kpt #: 177 total cpu time spent up to now is 101.7 secs Computing kpt #: 178 total cpu time spent up to now is 102.0 secs Computing kpt #: 179 total cpu time spent up to now is 102.5 secs Computing kpt #: 180 total cpu time spent up to now is 102.8 secs Computing kpt #: 181 total cpu time spent up to now is 103.1 secs Computing kpt #: 182 total cpu time spent up to now is 103.4 secs Computing kpt #: 183 total cpu time spent up to now is 103.7 secs Computing kpt #: 184 total cpu time spent up to now is 104.1 secs Computing kpt #: 185 total cpu time spent up to now is 104.4 secs Computing kpt #: 186 total cpu time spent up to now is 104.8 secs Computing kpt #: 187 total cpu time spent up to now is 105.2 secs Computing kpt #: 188 total cpu time spent up to now is 105.6 secs Computing kpt #: 189 total cpu time spent up to now is 105.9 secs Computing kpt #: 190 total cpu time spent up to now is 106.3 secs Computing kpt #: 191 total cpu time spent up to now is 106.7 secs Computing kpt #: 192 total cpu time spent up to now is 107.2 secs Computing kpt #: 193 total cpu time spent up to now is 107.6 secs Computing kpt #: 194 total cpu time spent up to now is 108.0 secs Computing kpt #: 195 total cpu time spent up to now is 108.4 secs Computing kpt #: 196 total cpu time spent up to now is 109.0 secs Computing kpt #: 197 total cpu time spent up to now is 109.3 secs Computing kpt #: 198 total cpu time spent up to now is 109.6 secs Computing kpt #: 199 total cpu time spent up to now is 109.9 secs Computing kpt #: 200 total cpu time spent up to now is 110.2 secs Computing kpt #: 201 total cpu time spent up to now is 110.6 secs Computing kpt #: 202 total cpu time spent up to now is 110.9 secs Computing kpt #: 203 total cpu time spent up to now is 111.2 secs Computing kpt #: 204 total cpu time spent up to now is 111.5 secs Computing kpt #: 205 total cpu time spent up to now is 111.9 secs Computing kpt #: 206 total cpu time spent up to now is 112.2 secs Computing kpt #: 207 total cpu time spent up to now is 112.5 secs Computing kpt #: 208 total cpu time spent up to now is 112.9 secs Computing kpt #: 209 total cpu time spent up to now is 113.2 secs Computing kpt #: 210 total cpu time spent up to now is 113.5 secs Computing kpt #: 211 total cpu time spent up to now is 113.8 secs Computing kpt #: 212 total cpu time spent up to now is 114.0 secs Computing kpt #: 213 total cpu time spent up to now is 114.3 secs Computing kpt #: 214 total cpu time spent up to now is 114.6 secs Computing kpt #: 215 total cpu time spent up to now is 114.9 secs Computing kpt #: 216 total cpu time spent up to now is 115.2 secs Computing kpt #: 217 total cpu time spent up to now is 115.5 secs Computing kpt #: 218 total cpu time spent up to now is 115.7 secs Computing kpt #: 219 total cpu time spent up to now is 116.0 secs Computing kpt #: 220 total cpu time spent up to now is 116.3 secs Computing kpt #: 221 total cpu time spent up to now is 116.7 secs Computing kpt #: 222 total cpu time spent up to now is 117.1 secs Computing kpt #: 223 total cpu time spent up to now is 117.4 secs Computing kpt #: 224 total cpu time spent up to now is 117.8 secs Computing kpt #: 225 total cpu time spent up to now is 118.1 secs Computing kpt #: 226 total cpu time spent up to now is 118.4 secs Computing kpt #: 227 total cpu time spent up to now is 118.7 secs Computing kpt #: 228 total cpu time spent up to now is 119.1 secs Computing kpt #: 229 total cpu time spent up to now is 119.4 secs Computing kpt #: 230 total cpu time spent up to now is 119.7 secs Computing kpt #: 231 total cpu time spent up to now is 120.0 secs Computing kpt #: 232 total cpu time spent up to now is 120.3 secs Computing kpt #: 233 total cpu time spent up to now is 120.6 secs Computing kpt #: 234 total cpu time spent up to now is 120.9 secs Computing kpt #: 235 total cpu time spent up to now is 121.2 secs Computing kpt #: 236 total cpu time spent up to now is 121.6 secs Computing kpt #: 237 total cpu time spent up to now is 121.9 secs Computing kpt #: 238 total cpu time spent up to now is 122.1 secs Computing kpt #: 239 total cpu time spent up to now is 122.4 secs Computing kpt #: 240 total cpu time spent up to now is 122.8 secs Computing kpt #: 241 total cpu time spent up to now is 123.1 secs Computing kpt #: 242 total cpu time spent up to now is 123.5 secs Computing kpt #: 243 total cpu time spent up to now is 123.8 secs Computing kpt #: 244 total cpu time spent up to now is 124.1 secs Computing kpt #: 245 total cpu time spent up to now is 124.4 secs Computing kpt #: 246 total cpu time spent up to now is 124.7 secs Computing kpt #: 247 total cpu time spent up to now is 125.0 secs Computing kpt #: 248 total cpu time spent up to now is 125.3 secs Computing kpt #: 249 total cpu time spent up to now is 125.6 secs Computing kpt #: 250 total cpu time spent up to now is 125.9 secs Computing kpt #: 251 total cpu time spent up to now is 126.2 secs Computing kpt #: 252 total cpu time spent up to now is 126.5 secs Computing kpt #: 253 total cpu time spent up to now is 126.8 secs Computing kpt #: 254 total cpu time spent up to now is 127.1 secs Computing kpt #: 255 total cpu time spent up to now is 127.4 secs Computing kpt #: 256 total cpu time spent up to now is 127.7 secs Computing kpt #: 257 total cpu time spent up to now is 128.0 secs Computing kpt #: 258 total cpu time spent up to now is 128.3 secs Computing kpt #: 259 total cpu time spent up to now is 128.7 secs Computing kpt #: 260 total cpu time spent up to now is 129.0 secs Computing kpt #: 261 total cpu time spent up to now is 129.4 secs Computing kpt #: 262 total cpu time spent up to now is 129.7 secs Computing kpt #: 263 total cpu time spent up to now is 130.1 secs Computing kpt #: 264 total cpu time spent up to now is 130.4 secs Computing kpt #: 265 total cpu time spent up to now is 130.8 secs Computing kpt #: 266 total cpu time spent up to now is 131.2 secs Computing kpt #: 267 total cpu time spent up to now is 131.6 secs Computing kpt #: 268 total cpu time spent up to now is 131.9 secs Computing kpt #: 269 total cpu time spent up to now is 132.2 secs Computing kpt #: 270 total cpu time spent up to now is 132.6 secs Computing kpt #: 271 total cpu time spent up to now is 132.9 secs Computing kpt #: 272 total cpu time spent up to now is 133.2 secs Computing kpt #: 273 total cpu time spent up to now is 133.5 secs Computing kpt #: 274 total cpu time spent up to now is 133.9 secs Computing kpt #: 275 total cpu time spent up to now is 134.2 secs Computing kpt #: 276 total cpu time spent up to now is 134.6 secs Computing kpt #: 277 total cpu time spent up to now is 135.0 secs Computing kpt #: 278 total cpu time spent up to now is 135.4 secs Computing kpt #: 279 total cpu time spent up to now is 135.8 secs Computing kpt #: 280 total cpu time spent up to now is 136.1 secs Computing kpt #: 281 total cpu time spent up to now is 136.5 secs Computing kpt #: 282 total cpu time spent up to now is 136.8 secs Computing kpt #: 283 total cpu time spent up to now is 137.1 secs Computing kpt #: 284 total cpu time spent up to now is 137.4 secs Computing kpt #: 285 total cpu time spent up to now is 137.7 secs Computing kpt #: 286 total cpu time spent up to now is 138.0 secs Computing kpt #: 287 total cpu time spent up to now is 138.3 secs Computing kpt #: 288 total cpu time spent up to now is 138.6 secs Computing kpt #: 289 total cpu time spent up to now is 138.9 secs Computing kpt #: 290 total cpu time spent up to now is 139.2 secs Computing kpt #: 291 total cpu time spent up to now is 139.4 secs Computing kpt #: 292 total cpu time spent up to now is 139.7 secs Computing kpt #: 293 total cpu time spent up to now is 140.0 secs Computing kpt #: 294 total cpu time spent up to now is 140.3 secs Computing kpt #: 295 total cpu time spent up to now is 140.6 secs Computing kpt #: 296 total cpu time spent up to now is 141.0 secs Computing kpt #: 297 total cpu time spent up to now is 141.3 secs Computing kpt #: 298 total cpu time spent up to now is 141.6 secs Computing kpt #: 299 total cpu time spent up to now is 141.9 secs Computing kpt #: 300 total cpu time spent up to now is 142.1 secs Computing kpt #: 301 total cpu time spent up to now is 142.4 secs Computing kpt #: 302 total cpu time spent up to now is 142.6 secs Computing kpt #: 303 total cpu time spent up to now is 142.9 secs Computing kpt #: 304 total cpu time spent up to now is 143.1 secs Computing kpt #: 305 total cpu time spent up to now is 143.4 secs Computing kpt #: 306 total cpu time spent up to now is 143.6 secs Computing kpt #: 307 total cpu time spent up to now is 143.9 secs Computing kpt #: 308 total cpu time spent up to now is 144.1 secs Computing kpt #: 309 total cpu time spent up to now is 144.4 secs Computing kpt #: 310 total cpu time spent up to now is 144.6 secs Computing kpt #: 311 total cpu time spent up to now is 144.9 secs Computing kpt #: 312 total cpu time spent up to now is 145.1 secs Computing kpt #: 313 total cpu time spent up to now is 145.4 secs Computing kpt #: 314 total cpu time spent up to now is 145.6 secs Computing kpt #: 315 total cpu time spent up to now is 145.9 secs Computing kpt #: 316 total cpu time spent up to now is 146.2 secs Computing kpt #: 317 total cpu time spent up to now is 146.4 secs Computing kpt #: 318 total cpu time spent up to now is 146.7 secs Computing kpt #: 319 total cpu time spent up to now is 147.0 secs Computing kpt #: 320 total cpu time spent up to now is 147.4 secs Computing kpt #: 321 total cpu time spent up to now is 147.6 secs Computing kpt #: 322 total cpu time spent up to now is 147.9 secs Computing kpt #: 323 total cpu time spent up to now is 148.2 secs Computing kpt #: 324 total cpu time spent up to now is 148.5 secs Computing kpt #: 325 total cpu time spent up to now is 148.8 secs Computing kpt #: 326 total cpu time spent up to now is 149.1 secs Computing kpt #: 327 total cpu time spent up to now is 149.3 secs Computing kpt #: 328 total cpu time spent up to now is 149.6 secs Computing kpt #: 329 total cpu time spent up to now is 149.8 secs Computing kpt #: 330 total cpu time spent up to now is 150.1 secs Computing kpt #: 331 total cpu time spent up to now is 150.3 secs Computing kpt #: 332 total cpu time spent up to now is 150.6 secs Computing kpt #: 333 total cpu time spent up to now is 150.9 secs Computing kpt #: 334 total cpu time spent up to now is 151.1 secs Computing kpt #: 335 total cpu time spent up to now is 151.4 secs Computing kpt #: 336 total cpu time spent up to now is 151.7 secs Computing kpt #: 337 total cpu time spent up to now is 151.9 secs Computing kpt #: 338 total cpu time spent up to now is 152.2 secs Computing kpt #: 339 total cpu time spent up to now is 152.5 secs Computing kpt #: 340 total cpu time spent up to now is 152.8 secs Computing kpt #: 341 total cpu time spent up to now is 153.1 secs Computing kpt #: 342 total cpu time spent up to now is 153.4 secs Computing kpt #: 343 total cpu time spent up to now is 153.9 secs Computing kpt #: 344 total cpu time spent up to now is 154.3 secs Computing kpt #: 345 total cpu time spent up to now is 154.6 secs Computing kpt #: 346 total cpu time spent up to now is 154.9 secs Computing kpt #: 347 total cpu time spent up to now is 155.2 secs Computing kpt #: 348 total cpu time spent up to now is 155.5 secs Computing kpt #: 349 total cpu time spent up to now is 155.8 secs Computing kpt #: 350 total cpu time spent up to now is 156.1 secs Computing kpt #: 351 total cpu time spent up to now is 156.4 secs Computing kpt #: 352 total cpu time spent up to now is 156.7 secs Computing kpt #: 353 total cpu time spent up to now is 157.0 secs Computing kpt #: 354 total cpu time spent up to now is 157.4 secs Computing kpt #: 355 total cpu time spent up to now is 157.7 secs Computing kpt #: 356 total cpu time spent up to now is 158.0 secs Computing kpt #: 357 total cpu time spent up to now is 158.4 secs Computing kpt #: 358 total cpu time spent up to now is 158.8 secs Computing kpt #: 359 total cpu time spent up to now is 159.2 secs Computing kpt #: 360 total cpu time spent up to now is 159.5 secs Computing kpt #: 361 total cpu time spent up to now is 159.9 secs Computing kpt #: 362 total cpu time spent up to now is 160.2 secs Computing kpt #: 363 total cpu time spent up to now is 160.6 secs Computing kpt #: 364 total cpu time spent up to now is 161.0 secs Computing kpt #: 365 total cpu time spent up to now is 161.3 secs Computing kpt #: 366 total cpu time spent up to now is 161.6 secs Computing kpt #: 367 total cpu time spent up to now is 162.0 secs Computing kpt #: 368 total cpu time spent up to now is 162.3 secs Computing kpt #: 369 total cpu time spent up to now is 162.6 secs Computing kpt #: 370 total cpu time spent up to now is 162.9 secs Computing kpt #: 371 total cpu time spent up to now is 163.2 secs Computing kpt #: 372 total cpu time spent up to now is 163.5 secs Computing kpt #: 373 total cpu time spent up to now is 163.8 secs Computing kpt #: 374 total cpu time spent up to now is 164.1 secs Computing kpt #: 375 total cpu time spent up to now is 164.4 secs Computing kpt #: 376 total cpu time spent up to now is 164.8 secs Computing kpt #: 377 total cpu time spent up to now is 165.1 secs Computing kpt #: 378 total cpu time spent up to now is 165.4 secs Computing kpt #: 379 total cpu time spent up to now is 165.8 secs Computing kpt #: 380 total cpu time spent up to now is 166.1 secs Computing kpt #: 381 total cpu time spent up to now is 166.4 secs Computing kpt #: 382 total cpu time spent up to now is 166.8 secs Computing kpt #: 383 total cpu time spent up to now is 167.1 secs Computing kpt #: 384 total cpu time spent up to now is 167.4 secs Computing kpt #: 385 total cpu time spent up to now is 167.6 secs Computing kpt #: 386 total cpu time spent up to now is 167.9 secs Computing kpt #: 387 total cpu time spent up to now is 168.2 secs Computing kpt #: 388 total cpu time spent up to now is 168.5 secs Computing kpt #: 389 total cpu time spent up to now is 168.8 secs Computing kpt #: 390 total cpu time spent up to now is 169.2 secs Computing kpt #: 391 total cpu time spent up to now is 169.5 secs Computing kpt #: 392 total cpu time spent up to now is 169.9 secs Computing kpt #: 393 total cpu time spent up to now is 170.2 secs Computing kpt #: 394 total cpu time spent up to now is 170.8 secs Computing kpt #: 395 total cpu time spent up to now is 171.3 secs Computing kpt #: 396 total cpu time spent up to now is 171.6 secs Computing kpt #: 397 total cpu time spent up to now is 172.0 secs Computing kpt #: 398 total cpu time spent up to now is 172.4 secs Computing kpt #: 399 total cpu time spent up to now is 172.8 secs Computing kpt #: 400 total cpu time spent up to now is 173.2 secs Computing kpt #: 401 total cpu time spent up to now is 173.6 secs Computing kpt #: 402 total cpu time spent up to now is 173.9 secs Computing kpt #: 403 total cpu time spent up to now is 174.2 secs Computing kpt #: 404 total cpu time spent up to now is 174.5 secs Computing kpt #: 405 total cpu time spent up to now is 174.9 secs Computing kpt #: 406 total cpu time spent up to now is 175.2 secs Computing kpt #: 407 total cpu time spent up to now is 175.5 secs Computing kpt #: 408 total cpu time spent up to now is 175.9 secs Computing kpt #: 409 total cpu time spent up to now is 176.2 secs Computing kpt #: 410 total cpu time spent up to now is 176.6 secs Computing kpt #: 411 total cpu time spent up to now is 177.0 secs Computing kpt #: 412 total cpu time spent up to now is 177.4 secs Computing kpt #: 413 total cpu time spent up to now is 177.7 secs Computing kpt #: 414 total cpu time spent up to now is 178.0 secs Computing kpt #: 415 total cpu time spent up to now is 178.4 secs Computing kpt #: 416 total cpu time spent up to now is 178.7 secs Computing kpt #: 417 total cpu time spent up to now is 179.0 secs Computing kpt #: 418 total cpu time spent up to now is 179.3 secs Computing kpt #: 419 total cpu time spent up to now is 179.6 secs Computing kpt #: 420 total cpu time spent up to now is 179.9 secs Computing kpt #: 421 total cpu time spent up to now is 180.2 secs Computing kpt #: 422 total cpu time spent up to now is 180.5 secs Computing kpt #: 423 total cpu time spent up to now is 180.8 secs Computing kpt #: 424 total cpu time spent up to now is 181.1 secs Computing kpt #: 425 total cpu time spent up to now is 181.4 secs Computing kpt #: 426 total cpu time spent up to now is 181.7 secs Computing kpt #: 427 total cpu time spent up to now is 182.0 secs Computing kpt #: 428 total cpu time spent up to now is 182.3 secs Computing kpt #: 429 total cpu time spent up to now is 182.7 secs Computing kpt #: 430 total cpu time spent up to now is 183.0 secs Computing kpt #: 431 total cpu time spent up to now is 183.4 secs Computing kpt #: 432 total cpu time spent up to now is 183.8 secs Computing kpt #: 433 total cpu time spent up to now is 184.2 secs Computing kpt #: 434 total cpu time spent up to now is 184.5 secs Computing kpt #: 435 total cpu time spent up to now is 184.9 secs Computing kpt #: 436 total cpu time spent up to now is 185.3 secs Computing kpt #: 437 total cpu time spent up to now is 185.6 secs Computing kpt #: 438 total cpu time spent up to now is 186.0 secs Computing kpt #: 439 total cpu time spent up to now is 186.4 secs Computing kpt #: 440 total cpu time spent up to now is 186.6 secs Computing kpt #: 441 total cpu time spent up to now is 186.9 secs Computing kpt #: 442 total cpu time spent up to now is 187.2 secs Computing kpt #: 443 total cpu time spent up to now is 187.5 secs Computing kpt #: 444 total cpu time spent up to now is 187.7 secs Computing kpt #: 445 total cpu time spent up to now is 188.0 secs Computing kpt #: 446 total cpu time spent up to now is 188.3 secs Computing kpt #: 447 total cpu time spent up to now is 188.6 secs Computing kpt #: 448 total cpu time spent up to now is 188.9 secs Computing kpt #: 449 total cpu time spent up to now is 189.2 secs Computing kpt #: 450 total cpu time spent up to now is 189.5 secs Computing kpt #: 451 total cpu time spent up to now is 189.7 secs Computing kpt #: 452 total cpu time spent up to now is 190.1 secs Computing kpt #: 453 total cpu time spent up to now is 190.3 secs Computing kpt #: 454 total cpu time spent up to now is 190.6 secs Computing kpt #: 455 total cpu time spent up to now is 190.9 secs Computing kpt #: 456 total cpu time spent up to now is 191.2 secs Computing kpt #: 457 total cpu time spent up to now is 191.5 secs Computing kpt #: 458 total cpu time spent up to now is 191.7 secs Computing kpt #: 459 total cpu time spent up to now is 191.9 secs Computing kpt #: 460 total cpu time spent up to now is 192.2 secs ethr = 4.17E-11, avg # of iterations = 15.2 total cpu time spent up to now is 192.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1165 PWs) bands (ev): -1.5170 -1.5170 2.1158 2.1158 6.1727 6.1727 6.2001 6.2001 6.2856 6.2856 6.3947 6.3947 6.5355 6.5355 6.5863 6.5863 6.6054 6.6054 6.6861 6.6861 7.0823 7.0823 7.2046 7.2046 10.1376 10.1376 18.7451 18.7451 21.3205 21.3205 23.6299 23.6299 k = 0.0079 0.0046-0.0000 ( 1165 PWs) bands (ev): -1.5156 -1.5156 2.1165 2.1165 6.1717 6.1718 6.1992 6.2026 6.2856 6.2856 6.3923 6.3973 6.5327 6.5364 6.5749 6.5931 6.6046 6.6060 6.6857 6.6858 7.0732 7.0961 7.2070 7.2074 10.1375 10.1386 18.7431 18.7433 21.3033 21.3078 23.6205 23.6253 k = 0.0159 0.0092-0.0000 ( 1167 PWs) bands (ev): -1.5114 -1.5114 2.1186 2.1187 6.1689 6.1696 6.2000 6.2063 6.2856 6.2856 6.3900 6.4000 6.5256 6.5364 6.5626 6.5937 6.6033 6.6063 6.6846 6.6848 7.0702 7.1116 7.2139 7.2171 10.1383 10.1406 18.7371 18.7375 21.2567 21.2655 23.5948 23.6026 k = 0.0238 0.0137-0.0000 ( 1171 PWs) bands (ev): -1.5045 -1.5045 2.1221 2.1223 6.1646 6.1664 6.2020 6.2107 6.2854 6.2856 6.3878 6.4028 6.5104 6.5355 6.5544 6.5878 6.6018 6.6065 6.6828 6.6832 7.0728 7.1252 7.2256 7.2360 10.1401 10.1436 18.7270 18.7277 21.1826 21.1952 23.5465 23.5545 k = 0.0317 0.0183-0.0000 ( 1171 PWs) bands (ev): -1.4948 -1.4947 2.1271 2.1273 6.1594 6.1627 6.2050 6.2154 6.2850 6.2855 6.3861 6.4060 6.4883 6.5332 6.5508 6.5773 6.6000 6.6066 6.6806 6.6813 7.0796 7.1349 7.2426 7.2648 10.1429 10.1475 18.7128 18.7137 21.0833 21.0991 23.4726 23.4792 k = 0.0397 0.0229-0.0000 ( 1171 PWs) bands (ev): -1.4823 -1.4822 2.1335 2.1337 6.1534 6.1581 6.2086 6.2204 6.2842 6.2854 6.3847 6.4092 6.4628 6.5276 6.5494 6.5653 6.5980 6.6064 6.6781 6.6790 7.0884 7.1412 7.2657 7.3018 10.1467 10.1524 18.6942 18.6953 20.9618 20.9802 23.3766 23.3817 k = 0.0476 0.0275-0.0000 ( 1171 PWs) bands (ev): -1.4670 -1.4670 2.1414 2.1417 6.1468 6.1530 6.2126 6.2254 6.2826 6.2851 6.3837 6.4119 6.4368 6.5154 6.5489 6.5567 6.5957 6.6060 6.6752 6.6762 7.0976 7.1454 7.2950 7.3450 10.1515 10.1584 18.6708 18.6721 20.8212 20.8417 23.2639 23.2679 k = 0.0556 0.0321-0.0000 ( 1167 PWs) bands (ev): -1.4490 -1.4490 2.1506 2.1511 6.1396 6.1470 6.2168 6.2304 6.2796 6.2847 6.3833 6.4054 6.4211 6.4965 6.5490 6.5530 6.5932 6.6056 6.6721 6.6733 7.1062 7.1486 7.3304 7.3927 10.1574 10.1654 18.6422 18.6438 20.6648 20.6869 23.1392 23.1424 k = 0.0635 0.0367-0.0000 ( 1163 PWs) bands (ev): -1.4283 -1.4282 2.1611 2.1616 6.1318 6.1401 6.2212 6.2349 6.2743 6.2842 6.3834 6.3835 6.4234 6.4743 6.5496 6.5522 6.5906 6.6051 6.6688 6.6703 7.1137 7.1511 7.3710 7.4436 10.1644 10.1735 18.6078 18.6096 20.4958 20.5191 23.0056 23.0083 k = 0.0714 0.0412-0.0000 ( 1169 PWs) bands (ev): -1.4048 -1.4047 2.1728 2.1734 6.1234 6.1320 6.2253 6.2388 6.2650 6.2835 6.3638 6.3843 6.4279 6.4509 6.5504 6.5529 6.5878 6.6044 6.6651 6.6669 7.1201 7.1534 7.4158 7.4970 10.1725 10.1828 18.5667 18.5687 20.3174 20.3415 22.8658 22.8681 k = 0.0794 0.0458-0.0000 ( 1167 PWs) bands (ev): -1.3787 -1.3786 2.1858 2.1865 6.1143 6.1228 6.2289 6.2415 6.2513 6.2828 6.3497 6.3858 6.4283 6.4332 6.5515 6.5546 6.5848 6.6039 6.6611 6.6636 7.1259 7.1556 7.4645 7.5529 10.1819 10.1932 18.5177 18.5200 20.1329 20.1577 22.7215 22.7235 k = 0.0873 0.0504-0.0000 ( 1167 PWs) bands (ev): -1.3498 -1.3497 2.1999 2.2008 6.1045 6.1123 6.2257 6.2391 6.2424 6.2823 6.3412 6.3875 6.4079 6.4391 6.5527 6.5569 6.5818 6.6035 6.6568 6.6602 7.1310 7.1578 7.5162 7.6107 10.1926 10.2050 18.4593 18.4618 19.9458 19.9709 22.5741 22.5759 k = 0.0952 0.0550-0.0000 ( 1167 PWs) bands (ev): -1.3183 -1.3181 2.2153 2.2162 6.0938 6.1002 6.2060 6.2399 6.2410 6.2822 6.3371 6.3827 6.3971 6.4455 6.5540 6.5599 6.5789 6.6035 6.6524 6.6571 7.1357 7.1601 7.5705 7.6701 10.2047 10.2181 18.3895 18.3921 19.7596 19.7849 22.4247 22.4263 k = 0.1032 0.0596-0.0000 ( 1167 PWs) bands (ev): -1.2841 -1.2839 2.2317 2.2328 6.0821 6.0865 6.1825 6.2368 6.2427 6.2823 6.3358 6.3685 6.3998 6.4524 6.5554 6.5633 6.5761 6.6039 6.6479 6.6544 7.1400 7.1624 7.6268 7.7308 10.2182 10.2327 18.3060 18.3084 19.5782 19.6034 22.2741 22.2756 k = 0.1111 0.0642-0.0000 ( 1168 PWs) bands (ev): -1.2473 -1.2471 2.2492 2.2504 6.0692 6.0712 6.1587 6.2301 6.2451 6.2821 6.3363 6.3559 6.4055 6.4599 6.5564 6.5668 6.5736 6.6050 6.6434 6.6523 7.1441 7.1648 7.6848 7.7927 10.2333 10.2488 18.2058 18.2078 19.4056 19.4303 22.1229 22.1244 k = 0.1190 0.0687-0.0000 ( 1164 PWs) bands (ev): -1.2078 -1.2076 2.2676 2.2690 6.0542 6.0546 6.1358 6.2214 6.2469 6.2813 6.3383 6.3467 6.4126 6.4678 6.5571 6.5704 6.5717 6.6072 6.6392 6.6513 7.1480 7.1673 7.7442 7.8555 10.2500 10.2665 18.0867 18.0880 19.2453 19.2692 21.9718 21.9731 k = 0.1270 0.0733-0.0000 ( 1164 PWs) bands (ev): -1.1658 -1.1656 2.2870 2.2886 6.0355 6.0380 6.1147 6.2113 6.2477 6.2790 6.3408 6.3413 6.4207 6.4760 6.5569 6.5707 6.5734 6.6106 6.6355 6.6513 7.1518 7.1699 7.8048 7.9192 10.2686 10.2860 17.9470 17.9472 19.0997 19.1225 21.8210 21.8223 k = 0.1349 0.0779-0.0000 ( 1164 PWs) bands (ev): -1.1213 -1.1210 2.3072 2.3090 6.0153 6.0193 6.0958 6.2003 6.2476 6.2754 6.3376 6.3449 6.4299 6.4842 6.5561 6.5705 6.5756 6.6150 6.6329 6.6529 7.1554 7.1725 7.8664 7.9835 10.2890 10.3072 17.7857 17.7868 18.9692 18.9908 21.6709 21.6722 k = 0.1429 0.0825-0.0000 ( 1172 PWs) bands (ev): -1.0742 -1.0739 2.3281 2.3300 5.9938 5.9984 6.0791 6.1889 6.2466 6.2707 6.3364 6.3490 6.4397 6.4919 6.5550 6.5712 6.5768 6.6192 6.6330 6.6561 7.1586 7.1749 7.9287 8.0483 10.3114 10.3304 17.6055 17.6079 18.8526 18.8729 21.5218 21.5231 k = 0.1508 0.0871-0.0000 ( 1168 PWs) bands (ev): -1.0247 -1.0244 2.3498 2.3520 5.9712 5.9760 6.0644 6.1777 6.2449 6.2655 6.3364 6.3534 6.4505 6.4989 6.5542 6.5732 6.5772 6.6217 6.6380 6.6611 7.1621 7.1776 7.9915 8.1134 10.3361 10.3558 17.4097 17.4134 18.7473 18.7664 21.3740 21.3753 k = 0.1587 0.0916-0.0000 ( 1168 PWs) bands (ev): -0.9727 -0.9724 2.3721 2.3745 5.9477 5.9524 6.0513 6.1665 6.2423 6.2599 6.3369 6.3578 6.4615 6.5038 6.5543 6.5765 6.5767 6.6234 6.6466 6.6677 7.1654 7.1803 8.0547 8.1786 10.3631 10.3833 17.2017 17.2065 18.6504 18.6685 21.2277 21.2290 k = 0.1667 0.0962-0.0000 ( 1170 PWs) bands (ev): -0.9184 -0.9180 2.3949 2.3976 5.9234 5.9281 6.0394 6.1554 6.2391 6.2541 6.3376 6.3619 6.4727 6.5060 6.5559 6.5753 6.5824 6.6260 6.6572 6.6757 7.1687 7.1831 8.1181 8.2437 10.3925 10.4132 16.9845 16.9902 18.5591 18.5765 21.0830 21.0843 k = 0.1746 0.1008-0.0000 ( 1166 PWs) bands (ev): -0.8617 -0.8613 2.4184 2.4213 5.8987 5.9035 6.0285 6.1446 6.2355 6.2485 6.3383 6.3656 6.4834 6.5054 6.5590 6.5742 6.5907 6.6302 6.6693 6.6852 7.1721 7.1860 8.1814 8.3087 10.4247 10.4456 16.7608 16.7673 18.4712 18.4882 20.9400 20.9414 k = 0.1825 0.1054-0.0000 ( 1166 PWs) bands (ev): -0.8027 -0.8022 2.4421 2.4452 5.8736 5.8788 6.0182 6.1337 6.2314 6.2431 6.3387 6.3688 6.4928 6.5023 6.5634 6.5741 6.6014 6.6361 6.6823 6.6959 7.1752 7.1888 8.2446 8.3732 10.4596 10.4807 16.5327 16.5397 18.3849 18.4018 20.7990 20.8004 k = 0.1905 0.1100-0.0000 ( 1166 PWs) bands (ev): -0.7414 -0.7410 2.4660 2.4694 5.8483 5.8540 6.0084 6.1229 6.2271 6.2382 6.3389 6.3713 6.4976 6.4999 6.5690 6.5760 6.6143 6.6436 6.6963 6.7076 7.1783 7.1917 8.3074 8.4372 10.4975 10.5185 16.3017 16.3091 18.2991 18.3160 20.6600 20.6614 k = 0.1984 0.1146-0.0000 ( 1168 PWs) bands (ev): -0.6780 -0.6775 2.4901 2.4938 5.8229 5.8293 5.9991 6.1119 6.2226 6.2338 6.3387 6.3729 6.4918 6.5040 6.5759 6.5811 6.6286 6.6526 6.7109 6.7202 7.1814 7.1945 8.3697 8.5003 10.5385 10.5592 16.0692 16.0768 18.2125 18.2297 20.5232 20.5247 k = 0.2063 0.1191-0.0000 ( 1170 PWs) bands (ev): -0.6125 -0.6120 2.5143 2.5183 5.7975 5.8047 5.9902 6.1008 6.2180 6.2299 6.3382 6.3738 6.4851 6.5048 6.5840 6.5895 6.6445 6.6631 6.7264 6.7336 7.1844 7.1973 8.4312 8.5625 10.5828 10.6030 15.8361 15.8438 18.1246 18.1422 20.3886 20.3902 k = 0.2143 0.1237-0.0000 ( 1170 PWs) bands (ev): -0.5450 -0.5444 2.5386 2.5428 5.7722 5.7804 5.9816 6.0894 6.2135 6.2267 6.3376 6.3740 6.4781 6.5029 6.5936 6.6008 6.6613 6.6751 6.7423 6.7478 7.1873 7.2002 8.4918 8.6235 10.6305 10.6499 15.6034 15.6111 18.0348 18.0529 20.2564 20.2580 k = 0.2222 0.1283-0.0000 ( 1170 PWs) bands (ev): -0.4754 -0.4748 2.5627 2.5672 5.7471 5.7563 5.9733 6.0778 6.2092 6.2242 6.3370 6.3736 6.4708 6.4992 6.6044 6.6142 6.6788 6.6883 6.7589 6.7625 7.1901 7.2030 8.5513 8.6832 10.6818 10.7002 15.3717 15.3793 17.9425 17.9613 20.1266 20.1283 k = 0.2302 0.1329-0.0000 ( 1174 PWs) bands (ev): -0.4040 -0.4034 2.5866 2.5914 5.7221 5.7326 5.9649 6.0656 6.2052 6.2221 6.3364 6.3726 6.4635 6.4944 6.6164 6.6291 6.6971 6.7026 6.7758 6.7777 7.1930 7.2059 8.6096 8.7413 10.7367 10.7537 15.1418 15.1492 17.8476 17.8672 19.9993 20.0011 k = 0.2381 0.1375-0.0000 ( 1174 PWs) bands (ev): -0.3308 -0.3301 2.6103 2.6154 5.6976 5.7092 5.9566 6.0532 6.2015 6.2205 6.3361 6.3712 6.4561 6.4888 6.6297 6.6451 6.7159 6.7181 6.7932 6.7935 7.1957 7.2087 8.6664 8.7978 10.7952 10.8107 14.9142 14.9213 17.7497 17.7702 19.8746 19.8765 k = 0.2460 0.1420-0.0000 ( 1178 PWs) bands (ev): -0.2559 -0.2552 2.6337 2.6390 5.6734 5.6862 5.9483 6.0405 6.1981 6.2193 6.3360 6.3693 6.4490 6.4829 6.6441 6.6620 6.7343 6.7351 6.8093 6.8108 7.1984 7.2116 8.7215 8.8523 10.8576 10.8711 14.6895 14.6961 17.6488 17.6703 19.7526 19.7546 k = 0.2540 0.1466-0.0000 ( 1180 PWs) bands (ev): -0.1794 -0.1786 2.6566 2.6622 5.6496 5.6638 5.9399 6.0274 6.1951 6.2183 6.3364 6.3673 6.4421 6.4769 6.6596 6.6798 6.7512 6.7546 6.8257 6.8289 7.2011 7.2144 8.7748 8.9048 10.9236 10.9350 14.4683 14.4744 17.5448 17.5673 19.6333 19.6355 k = 0.2619 0.1512-0.0000 ( 1176 PWs) bands (ev): -0.1013 -0.1005 2.6790 2.6849 5.6266 5.6420 5.9315 6.0143 6.1926 6.2174 6.3375 6.3652 6.4357 6.4708 6.6762 6.6984 6.7688 6.7745 6.8425 6.8473 7.2037 7.2173 8.8261 8.9551 10.9932 11.0022 14.2512 14.2567 17.4377 17.4612 19.5168 19.5191 k = 0.2698 0.1558-0.0000 ( 1180 PWs) bands (ev): -0.0219 -0.0210 2.7008 2.7069 5.6038 5.6205 5.9223 6.0005 6.1904 6.2164 6.3393 6.3628 6.4299 6.4649 6.6937 6.7177 6.7869 6.7945 6.8594 6.8660 7.2063 7.2202 8.8750 9.0027 11.0664 11.0727 14.0388 14.0435 17.3274 17.3521 19.4033 19.4057 k = 0.2778 0.1604-0.0000 ( 1180 PWs) bands (ev): 0.0588 0.0597 2.7219 2.7283 5.5818 5.5998 5.9131 5.9866 6.1887 6.2151 6.3418 6.3603 6.4248 6.4591 6.7122 6.7379 6.8052 6.8147 6.8764 6.8848 7.2089 7.2231 8.9214 9.0478 11.1429 11.1463 13.8318 13.8356 17.2142 17.2399 19.2927 19.2953 k = 0.2857 0.1650-0.0000 ( 1176 PWs) bands (ev): 0.1406 0.1415 2.7424 2.7490 5.5607 5.5800 5.9035 5.9726 6.1872 6.2136 6.3452 6.3578 6.4206 6.4536 6.7317 6.7588 6.8238 6.8349 6.8936 6.9039 7.2115 7.2261 8.9651 9.0900 11.2225 11.2226 13.6311 13.6339 17.0983 17.1250 19.1851 19.1879 k = 0.2937 0.1695-0.0000 ( 1184 PWs) bands (ev): 0.2233 0.2243 2.7619 2.7687 5.5402 5.5607 5.8934 5.9582 6.1860 6.2117 6.3492 6.3549 6.4173 6.4485 6.7518 6.7803 6.8424 6.8549 6.9104 6.9226 7.2139 7.2290 9.0055 9.1289 11.3014 11.3045 13.4377 13.4393 16.9796 17.0072 19.0806 19.0836 k = 0.3016 0.1741-0.0000 ( 1188 PWs) bands (ev): 0.3069 0.3078 2.7805 2.7875 5.5206 5.5423 5.8829 5.9437 6.1850 6.2095 6.3520 6.3538 6.4152 6.4439 6.7728 6.8026 6.8610 6.8749 6.9275 6.9418 7.2164 7.2321 9.0423 9.1641 11.3818 11.3885 13.2527 13.2529 16.8586 16.8872 18.9793 18.9825 k = 0.3095 0.1787-0.0000 ( 1188 PWs) bands (ev): 0.3911 0.3921 2.7982 2.8054 5.5020 5.5249 5.8720 5.9291 6.1841 6.2070 6.3490 6.3590 6.4142 6.4400 6.7947 6.8257 6.8795 6.8947 6.9446 6.9610 7.2190 7.2353 9.0752 9.1954 11.4631 11.4734 13.0766 13.0778 16.7357 16.7650 18.8812 18.8846 k = 0.3175 0.1833-0.0000 ( 1190 PWs) bands (ev): 0.4757 0.4767 2.8150 2.8223 5.4844 5.5085 5.8607 5.9142 6.1833 6.2042 6.3458 6.3643 6.4143 6.4368 6.8174 6.8495 6.8977 6.9141 6.9615 6.9802 7.2217 7.2386 9.1035 9.2221 11.5437 11.5575 12.9124 12.9151 16.6111 16.6410 18.7864 18.7901 k = 0.3254 0.1879-0.0000 ( 1188 PWs) bands (ev): 0.5606 0.5616 2.8308 2.8382 5.4678 5.4930 5.8489 5.8993 6.1826 6.2013 6.3429 6.3697 6.4156 6.4347 6.8407 6.8738 6.9159 6.9334 6.9783 6.9994 7.2245 7.2421 9.1265 9.2437 11.6212 11.6384 12.7639 12.7679 16.4852 16.5156 18.6950 18.6989 k = 0.3333 0.1925-0.0000 ( 1188 PWs) bands (ev): 0.6455 0.6465 2.8454 2.8529 5.4523 5.4788 5.8368 5.8843 6.1818 6.1982 6.3401 6.3745 6.4177 6.4338 6.8647 6.8989 6.9335 6.9522 6.9950 7.0185 7.2274 7.2459 9.1437 9.2594 11.6914 11.7113 12.6363 12.6411 16.3586 16.3892 18.6069 18.6112 k = 0.3413 0.1970-0.0000 ( 1188 PWs) bands (ev): 0.7303 0.7312 2.8588 2.8664 5.4381 5.4656 5.8243 5.8692 6.1811 6.1949 6.3377 6.3788 6.4207 6.4342 6.8894 6.9243 6.9507 6.9705 7.0113 7.0376 7.2304 7.2497 9.1541 9.2686 11.7477 11.7687 12.5382 12.5424 16.2316 16.2623 18.5223 18.5270 k = 0.3492 0.2016-0.0000 ( 1188 PWs) bands (ev): 0.8145 0.8155 2.8711 2.8788 5.4252 5.4537 5.8115 5.8540 6.1802 6.1917 6.3355 6.3820 6.4244 6.4362 6.9145 6.9500 6.9676 6.9883 7.0275 7.0569 7.2338 7.2540 9.1568 9.2700 11.7807 11.8000 12.4810 12.4817 16.1049 16.1355 18.4412 18.4464 k = 0.3571 0.2062-0.0000 ( 1188 PWs) bands (ev): 0.8981 0.8990 2.8822 2.8899 5.4135 5.4431 5.7983 5.8387 6.1792 6.1885 6.3339 6.3842 6.4287 6.4396 6.9398 6.9751 6.9846 7.0057 7.0436 7.0763 7.2376 7.2587 9.1511 9.2630 11.7834 11.7977 12.4668 12.4729 15.9790 16.0093 18.3635 18.3695 k = 0.3651 0.2108-0.0000 ( 1188 PWs) bands (ev): 0.9806 0.9815 2.8921 2.8998 5.4033 5.4338 5.7847 5.8233 6.1782 6.1853 6.3329 6.3856 6.4334 6.4442 6.9651 6.9961 7.0050 7.0226 7.0597 7.0960 7.2419 7.2639 9.1363 9.2468 11.7589 11.7668 12.4953 12.5096 15.8547 15.8843 18.2892 18.2962 k = 0.3730 0.2154-0.0000 ( 1188 PWs) bands (ev): 1.0618 1.0626 2.9007 2.9084 5.3944 5.4258 5.7710 5.8080 6.1770 6.1822 6.3325 6.3864 6.4383 6.4495 6.9898 7.0120 7.0290 7.0391 7.0760 7.1162 7.2471 7.2697 9.1117 9.2207 11.7191 11.7213 12.5555 12.5775 15.7327 15.7614 18.2181 18.2268 k = 0.3810 0.2199-0.0000 ( 1186 PWs) bands (ev): 1.1414 1.1421 2.9081 2.9157 5.3870 5.4191 5.7569 5.7925 6.1758 6.1792 6.3329 6.3870 6.4435 6.4553 7.0132 7.0265 7.0527 7.0556 7.0929 7.1371 7.2536 7.2765 9.0772 9.1847 11.6734 11.6757 12.6356 12.6640 15.6138 15.6414 18.1494 18.1612 k = 0.3889 0.2245-0.0000 ( 1186 PWs) bands (ev): 1.2189 1.2196 2.9143 2.9217 5.3810 5.4138 5.7427 5.7771 6.1744 6.1764 6.3339 6.3876 6.4487 6.4612 7.0345 7.0399 7.0714 7.0745 7.1111 7.1585 7.2622 7.2843 9.0328 9.1385 11.6306 11.6363 12.7273 12.7612 15.4991 15.5252 18.0806 18.0994 k = 0.3968 0.2291-0.0000 ( 1186 PWs) bands (ev): 1.2941 1.2947 2.9193 2.9265 5.3766 5.4099 5.7284 5.7618 6.1730 6.1738 6.3357 6.3881 6.4539 6.4670 7.0524 7.0529 7.0864 7.0940 7.1312 7.1796 7.2741 7.2938 8.9791 9.0829 11.5967 11.6048 12.8253 12.8640 15.3896 15.4141 17.9962 18.0414 k = 0.4048 0.2337-0.0000 ( 1186 PWs) bands (ev): 1.3665 1.3670 2.9231 2.9301 5.3737 5.4074 5.7140 5.7465 6.1713 6.1716 6.3382 6.3887 6.4591 6.4726 7.0641 7.0684 7.1001 7.1109 7.1530 7.1989 7.2913 7.3055 8.9170 9.0186 11.5728 11.5827 12.9263 12.9691 15.2868 15.3094 17.8469 17.9519 k = 0.4127 0.2383-0.0000 ( 1192 PWs) bands (ev): 1.4357 1.4361 2.9257 2.9325 5.3722 5.4061 5.6997 5.7312 6.1689 6.1700 6.3413 6.3895 6.4639 6.4777 7.0746 7.0814 7.1120 7.1252 7.1752 7.2146 7.3150 7.3204 8.8477 8.9469 11.5591 11.5702 13.0275 13.0738 15.1923 15.2127 17.6593 17.7501 k = 0.4206 0.2429-0.0000 ( 1192 PWs) bands (ev): 1.5014 1.5016 2.9273 2.9337 5.3722 5.4060 5.6854 5.7162 6.1669 6.1685 6.3451 6.3904 6.4687 6.4824 7.0844 7.0926 7.1227 7.1373 7.1965 7.2269 7.3398 7.3456 8.7726 8.8693 11.5547 11.5666 13.1265 13.1757 15.1078 15.1259 17.4687 17.5523 k = 0.4286 0.2474-0.0000 ( 1192 PWs) bands (ev): 1.5629 1.5630 2.9280 2.9340 5.3735 5.4069 5.6715 5.7014 6.1650 6.1670 6.3494 6.3913 6.4731 6.4865 7.0935 7.1021 7.1323 7.1475 7.2151 7.2366 7.3646 7.3814 8.6935 8.7873 11.5583 11.5706 13.2209 13.2721 15.0356 15.0514 17.2819 17.3602 k = 0.4365 0.2520-0.0000 ( 1192 PWs) bands (ev): 1.6198 1.6199 2.9279 2.9335 5.3761 5.4087 5.6581 5.6868 6.1634 6.1656 6.3540 6.3922 6.4772 6.4901 7.1017 7.1101 7.1409 7.1558 7.2305 7.2444 7.3950 7.4214 8.6118 8.7024 11.5684 11.5807 13.3082 13.3603 14.9778 14.9917 17.1013 17.1746 k = 0.4444 0.2566-0.0000 ( 1192 PWs) bands (ev): 1.6717 1.6717 2.9271 2.9322 5.3799 5.4112 5.6453 5.6727 6.1619 6.1642 6.3589 6.3930 6.4810 6.4931 7.1089 7.1169 7.1485 7.1626 7.2427 7.2511 7.4306 7.4646 8.5293 8.6164 11.5833 11.5952 13.3859 13.4375 14.9368 14.9492 16.9284 16.9968 k = 0.4524 0.2612-0.0000 ( 1188 PWs) bands (ev): 1.7179 1.7180 2.9258 2.9303 5.3847 5.4142 5.6335 5.6593 6.1608 6.1629 6.3639 6.3937 6.4844 6.4954 7.1153 7.1225 7.1552 7.1680 7.2523 7.2571 7.4707 7.5100 8.4477 8.5307 11.6012 11.6124 13.4518 13.5010 14.9141 14.9256 16.7651 16.8281 k = 0.4603 0.2658-0.0000 ( 1188 PWs) bands (ev): 1.7581 1.7583 2.9243 2.9282 5.3902 5.4171 5.6230 5.6465 6.1598 6.1617 6.3689 6.3941 6.4875 6.4972 7.1208 7.1270 7.1610 7.1721 7.2596 7.2621 7.5140 7.5568 8.3690 8.4470 11.6203 11.6305 13.5047 13.5495 14.9098 14.9212 16.6140 16.6707 k = 0.4683 0.2703-0.0000 ( 1188 PWs) bands (ev): 1.7918 1.7920 2.9227 2.9259 5.3962 5.4196 5.6143 5.6347 6.1590 6.1607 6.3737 6.3941 6.4903 6.4983 7.1254 7.1304 7.1659 7.1751 7.2652 7.2663 7.5593 7.6032 8.2958 8.3671 11.6390 11.6478 13.5447 13.5829 14.9220 14.9335 16.4783 16.5277 k = 0.4762 0.2749-0.0000 ( 1194 PWs) bands (ev): 1.8185 1.8186 2.9212 2.9236 5.4022 5.4211 5.6076 5.6241 6.1585 6.1598 6.3781 6.3934 6.4926 6.4988 7.1290 7.1329 7.1700 7.1770 7.2692 7.2696 7.6049 7.6465 8.2313 8.2931 11.6558 11.6627 13.5731 13.6032 14.9460 14.9570 16.3631 16.4034 k = 0.4841 0.2795-0.0000 ( 1196 PWs) bands (ev): 1.8379 1.8380 2.9201 2.9218 5.4081 5.4215 5.6035 5.6152 6.1582 6.1591 6.3821 6.3924 6.4948 6.4990 7.1317 7.1343 7.1732 7.1780 7.2720 7.2721 7.6477 7.6822 8.1809 8.2287 11.6692 11.6740 13.5923 13.6130 14.9745 14.9836 16.2746 16.3036 k = 0.4921 0.2841-0.0000 ( 1196 PWs) bands (ev): 1.8497 1.8497 2.9196 2.9204 5.4134 5.4203 5.6023 5.6084 6.1581 6.1585 6.3856 6.3908 6.4964 6.4986 7.1336 7.1350 7.1757 7.1781 7.2736 7.2736 7.6830 7.7033 8.1522 8.1792 11.6783 11.6807 13.6048 13.6153 14.9984 15.0036 16.2205 16.2358 k = 0.5000 0.2887-0.0000 ( 1200 PWs) bands (ev): 1.8536 1.8536 2.9197 2.9197 5.4176 5.4176 5.6038 5.6038 6.1582 6.1582 6.3885 6.3885 6.4977 6.4977 7.1347 7.1347 7.1773 7.1773 7.2741 7.2741 7.7034 7.7034 8.1515 8.1515 11.6822 11.6822 13.6123 13.6123 15.0094 15.0094 16.2069 16.2069 k = 0.5000 0.2887-0.0000 ( 1200 PWs) bands (ev): 1.8536 1.8536 2.9197 2.9197 5.4176 5.4176 5.6038 5.6038 6.1582 6.1582 6.3885 6.3885 6.4977 6.4977 7.1347 7.1347 7.1773 7.1773 7.2741 7.2741 7.7034 7.7034 8.1515 8.1515 11.6822 11.6822 13.6123 13.6123 15.0094 15.0094 16.2069 16.2069 k = 0.4955 0.2965-0.0000 ( 1202 PWs) bands (ev): 1.8543 1.8543 2.9195 2.9197 5.4175 5.4182 5.6034 5.6052 6.1565 6.1591 6.3861 6.3901 6.4956 6.5001 7.1344 7.1350 7.1769 7.1771 7.2737 7.2738 7.7033 7.7062 8.1514 8.1533 11.6829 11.6830 13.6132 13.6141 15.0098 15.0113 16.2066 16.2078 k = 0.4910 0.3043-0.0000 ( 1198 PWs) bands (ev): 1.8567 1.8567 2.9191 2.9194 5.4180 5.4195 5.6041 5.6075 6.1546 6.1597 6.3829 6.3909 6.4940 6.5030 7.1342 7.1352 7.1760 7.1765 7.2724 7.2727 7.7061 7.7117 8.1531 8.1569 11.6852 11.6855 13.6168 13.6186 15.0126 15.0155 16.2068 16.2092 k = 0.4865 0.3121-0.0000 ( 1198 PWs) bands (ev): 1.8606 1.8606 2.9186 2.9190 5.4190 5.4213 5.6055 5.6106 6.1523 6.1598 6.3790 6.3909 6.4929 6.5062 7.1339 7.1353 7.1745 7.1754 7.2703 7.2709 7.7113 7.7197 8.1564 8.1621 11.6889 11.6893 13.6230 13.6258 15.0176 15.0221 16.2075 16.2112 k = 0.4820 0.3199-0.0000 ( 1198 PWs) bands (ev): 1.8660 1.8661 2.9178 2.9184 5.4206 5.4236 5.6078 5.6146 6.1497 6.1594 6.3744 6.3900 6.4922 6.5097 7.1337 7.1352 7.1723 7.1740 7.2674 7.2685 7.7193 7.7304 8.1614 8.1689 11.6940 11.6947 13.6319 13.6357 15.0249 15.0310 16.2087 16.2136 k = 0.4775 0.3277-0.0000 ( 1198 PWs) bands (ev): 1.8730 1.8731 2.9168 2.9176 5.4227 5.4265 5.6109 5.6194 6.1468 6.1584 6.3691 6.3884 6.4920 6.5135 7.1334 7.1348 7.1695 7.1722 7.2638 7.2655 7.7300 7.7438 8.1680 8.1773 11.7005 11.7013 13.6435 13.6482 15.0344 15.0422 16.2103 16.2165 k = 0.4730 0.3355-0.0000 ( 1194 PWs) bands (ev): 1.8815 1.8816 2.9156 2.9165 5.4254 5.4299 5.6150 5.6250 6.1436 6.1569 6.3635 6.3862 6.4924 6.5176 7.1333 7.1340 7.1660 7.1702 7.2594 7.2620 7.7435 7.7598 8.1763 8.1873 11.7081 11.7092 13.6577 13.6634 15.0462 15.0558 16.2122 16.2198 k = 0.4685 0.3433-0.0000 ( 1194 PWs) bands (ev): 1.8914 1.8916 2.9142 2.9152 5.4285 5.4338 5.6200 5.6314 6.1402 6.1548 6.3572 6.3831 6.4933 6.5220 7.1327 7.1330 7.1617 7.1680 7.2545 7.2581 7.7598 7.7785 8.1858 8.1986 11.7167 11.7182 13.6744 13.6811 15.0601 15.0717 16.2144 16.2233 k = 0.4640 0.3511-0.0000 ( 1194 PWs) bands (ev): 1.9029 1.9030 2.9125 2.9137 5.4320 5.4381 5.6257 5.6386 6.1367 6.1523 6.3506 6.3795 6.4947 6.5267 7.1307 7.1326 7.1568 7.1656 7.2490 7.2538 7.7789 7.7999 8.1968 8.2111 11.7261 11.7279 13.6937 13.7014 15.0760 15.0899 16.2165 16.2269 k = 0.4595 0.3589-0.0000 ( 1190 PWs) bands (ev): 1.9158 1.9159 2.9105 2.9119 5.4361 5.4429 5.6323 5.6465 6.1331 6.1493 6.3436 6.3753 6.4967 6.5316 7.1281 7.1323 7.1513 7.1633 7.2434 7.2495 7.8008 7.8239 8.2090 8.2249 11.7360 11.7383 13.7154 13.7242 15.0937 15.1104 16.2173 16.2288 k = 0.4550 0.3667-0.0000 ( 1186 PWs) bands (ev): 1.9301 1.9302 2.9084 2.9099 5.4405 5.4481 5.6398 5.6551 6.1294 6.1457 6.3363 6.3704 6.4993 6.5367 7.1248 7.1318 7.1452 7.1609 7.2374 7.2449 7.8255 7.8505 8.2224 8.2399 11.7461 11.7490 13.7396 13.7495 15.1127 15.1329 16.1185 16.1491 k = 0.4505 0.3745-0.0000 ( 1184 PWs) bands (ev): 1.9457 1.9458 2.9059 2.9075 5.4453 5.4536 5.6479 5.6643 6.1257 6.1416 6.3287 6.3650 6.5025 6.5421 7.1205 7.1312 7.1383 7.1584 7.2314 7.2403 7.8530 7.8797 8.2369 8.2558 11.7561 11.7595 13.7661 13.7771 15.1320 15.1572 15.9102 15.9412 k = 0.4459 0.3823-0.0000 ( 1184 PWs) bands (ev): 1.9627 1.9628 2.9031 2.9049 5.4504 5.4594 5.6567 5.6741 6.1220 6.1370 6.3209 6.3592 6.5064 6.5478 7.1155 7.1302 7.1311 7.1559 7.2250 7.2353 7.8831 7.9115 8.2524 8.2728 11.7653 11.7694 13.7948 13.8069 15.1490 15.1823 15.7067 15.7324 k = 0.4414 0.3901-0.0000 ( 1184 PWs) bands (ev): 1.9809 1.9810 2.9000 2.9019 5.4558 5.4654 5.6661 5.6843 6.1185 6.1322 6.3130 6.3529 6.5109 6.5537 7.1096 7.1230 7.1294 7.1532 7.2189 7.2304 7.9159 7.9458 8.2688 8.2907 11.7733 11.7781 13.8255 13.8389 15.1545 15.2042 15.5202 15.5318 k = 0.4369 0.3979-0.0000 ( 1188 PWs) bands (ev): 2.0003 2.0004 2.8965 2.8985 5.4613 5.4716 5.6762 5.6950 6.1149 6.1268 6.3050 6.3461 6.5160 6.5598 7.1030 7.1147 7.1283 7.1504 7.2129 7.2254 7.9513 7.9824 8.2860 8.3094 11.7794 11.7850 13.8583 13.8730 15.1154 15.1973 15.3671 15.3854 k = 0.4324 0.4057-0.0000 ( 1190 PWs) bands (ev): 2.0209 2.0209 2.8926 2.8947 5.4671 5.4779 5.6867 5.7061 6.1118 6.1214 6.2969 6.3391 6.5217 6.5661 7.0959 7.1061 7.1270 7.1474 7.2072 7.2204 7.9891 8.0214 8.3040 8.3290 11.7828 11.7891 13.8928 13.9089 14.9911 15.0741 15.3274 15.3447 k = 0.4279 0.4135-0.0000 ( 1194 PWs) bands (ev): 2.0426 2.0426 2.8883 2.8906 5.4729 5.4842 5.6977 5.7174 6.1089 6.1158 6.2888 6.3317 6.5282 6.5728 7.0881 7.0971 7.1255 7.1443 7.2016 7.2154 8.0294 8.0627 8.3228 8.3494 11.7825 11.7895 13.9289 13.9465 14.8242 14.8967 15.3519 15.3569 k = 0.4234 0.4213-0.0000 ( 1194 PWs) bands (ev): 2.0654 2.0654 2.8836 2.8860 5.4788 5.4904 5.7092 5.7291 6.1065 6.1101 6.2807 6.3240 6.5354 6.5798 7.0799 7.0880 7.1240 7.1410 7.1964 7.2105 8.0718 8.1062 8.3423 8.3707 11.7774 11.7851 13.9664 13.9855 14.6520 14.7186 15.3866 15.3890 k = 0.4189 0.4291-0.0000 ( 1194 PWs) bands (ev): 2.0892 2.0892 2.8784 2.8809 5.4847 5.4966 5.7210 5.7409 6.1043 6.1045 6.2728 6.3161 6.5433 6.5872 7.0714 7.0788 7.1223 7.1375 7.1916 7.2056 8.1163 8.1518 8.3624 8.3927 11.7662 11.7744 14.0046 14.0258 14.4860 14.5487 15.4241 15.4315 k = 0.4144 0.4369-0.0000 ( 1198 PWs) bands (ev): 2.1138 2.1139 2.8725 2.8750 5.4905 5.5026 5.7329 5.7526 6.0986 6.1029 6.2649 6.3080 6.5517 6.5948 7.0627 7.0696 7.1205 7.1338 7.1870 7.2008 8.1626 8.1993 8.3832 8.4157 11.7475 11.7560 14.0429 14.0669 14.3315 14.3905 15.4667 15.4777 k = 0.4099 0.4447-0.0000 ( 1198 PWs) bands (ev): 2.1393 2.1395 2.8662 2.8689 5.4962 5.5084 5.7452 5.7645 6.0930 6.1019 6.2572 6.2998 6.5609 6.6027 7.0539 7.0604 7.1186 7.1300 7.1827 7.1960 8.2105 8.2487 8.4046 8.4397 11.7199 11.7283 14.0773 14.1084 14.1950 14.2461 15.5133 15.5273 k = 0.4054 0.4525-0.0000 ( 1194 PWs) bands (ev): 2.1656 2.1659 2.8594 2.8622 5.5019 5.5140 5.7575 5.7763 6.0876 6.1015 6.2498 6.2916 6.5707 6.6111 7.0450 7.0514 7.1165 7.1260 7.1788 7.1914 8.2597 8.2997 8.4267 8.4650 11.6820 11.6899 14.0467 14.1173 14.1396 14.1503 15.5633 15.5800 k = 0.4009 0.4603-0.0000 ( 1192 PWs) bands (ev): 2.1926 2.1929 2.8519 2.8548 5.5071 5.5191 5.7698 5.7879 6.0823 6.1016 6.2424 6.2833 6.5811 6.6196 7.0362 7.0425 7.1142 7.1218 7.1753 7.1870 8.3096 8.3520 8.4496 8.4918 11.6327 11.6396 13.9462 14.0064 14.1712 14.1911 15.6166 15.6358 k = 0.3964 0.4681-0.0000 ( 1192 PWs) bands (ev): 2.2202 2.2206 2.8438 2.8467 5.5122 5.5237 5.7821 5.7992 6.0774 6.1023 6.2354 6.2749 6.5919 6.6285 7.0276 7.0338 7.1118 7.1174 7.1718 7.1826 8.3595 8.4053 8.4733 8.5205 11.5714 11.5769 13.8583 13.9138 14.2080 14.2309 15.6730 15.6945 k = 0.3919 0.4759-0.0000 ( 1188 PWs) bands (ev): 2.2483 2.2488 2.8349 2.8379 5.5169 5.5280 5.7942 5.8102 6.0730 6.1038 6.2286 6.2667 6.6033 6.6377 7.0192 7.0254 7.1092 7.1129 7.1686 7.1784 8.4085 8.4582 8.4990 8.5519 11.4982 11.5018 13.7888 13.8401 14.2438 14.2685 15.7324 15.7562 k = 0.3874 0.4837-0.0000 ( 1188 PWs) bands (ev): 2.2768 2.2774 2.8252 2.8283 5.5213 5.5317 5.8059 5.8207 6.0688 6.1058 6.2222 6.2584 6.6150 6.6470 7.0112 7.0175 7.1063 7.1081 7.1656 7.1744 8.4556 8.5055 8.5316 8.5867 11.4139 11.4154 13.7378 13.7849 14.2770 14.3031 15.7947 15.8208 k = 0.3829 0.4915-0.0000 ( 1190 PWs) bands (ev): 2.3057 2.3064 2.8147 2.8178 5.5252 5.5349 5.8172 5.8307 6.0651 6.1083 6.2161 6.2503 6.6268 6.6563 7.0036 7.0099 7.1032 7.1033 7.1629 7.1707 8.4994 8.5384 8.5793 8.6256 11.3192 11.3200 13.7047 13.7474 14.3064 14.3334 15.8597 15.8881 k = 0.3784 0.4993-0.0000 ( 1190 PWs) bands (ev): 2.3348 2.3357 2.8032 2.8063 5.5288 5.5376 5.8280 5.8401 6.0618 6.1113 6.2103 6.2424 6.6388 6.6656 6.9968 7.0029 7.0982 7.0999 7.1605 7.1672 8.5397 8.5658 8.6327 8.6687 11.2157 11.2187 13.6878 13.7263 14.3309 14.3583 15.9273 15.9577 k = 0.3739 0.5071-0.0000 ( 1186 PWs) bands (ev): 2.3641 2.3652 2.7907 2.7939 5.5319 5.5399 5.8382 5.8488 6.0589 6.1147 6.2050 6.2348 6.6507 6.6749 6.9908 6.9968 7.0931 7.0965 7.1583 7.1641 8.5767 8.5927 8.6864 8.7150 11.1075 11.1124 13.6857 13.7199 14.3490 14.3763 15.9968 16.0282 k = 0.3694 0.5149-0.0000 ( 1182 PWs) bands (ev): 2.3935 2.3947 2.7772 2.7804 5.5347 5.5416 5.8477 5.8568 6.0566 6.1186 6.2002 6.2274 6.6624 6.6838 6.9856 6.9913 7.0880 7.0929 7.1565 7.1613 8.6113 8.6199 8.7384 8.7627 10.9974 11.0039 13.6964 13.7264 14.3595 14.3861 16.0664 16.0908 k = 0.3649 0.5227-0.0000 ( 1186 PWs) bands (ev): 2.4228 2.4242 2.7625 2.7657 5.5370 5.5429 5.8563 5.8638 6.0547 6.1227 6.1957 6.2204 6.6735 6.6920 6.9811 6.9865 7.0827 7.0889 7.1549 7.1589 8.6443 8.6476 8.7872 8.8096 10.8885 10.8962 13.7184 13.7443 14.3612 14.3863 16.1197 16.1297 k = 0.3604 0.5305-0.0000 ( 1186 PWs) bands (ev): 2.4520 2.4536 2.7466 2.7499 5.5389 5.5438 5.8639 5.8700 6.0533 6.1270 6.1918 6.2137 6.6842 6.6998 6.9777 6.9826 7.0772 7.0848 7.1536 7.1568 8.6760 8.6765 8.8312 8.8537 10.7842 10.7924 13.7501 13.7722 14.3530 14.3759 16.1344 16.1727 k = 0.3559 0.5383-0.0000 ( 1186 PWs) bands (ev): 2.4810 2.4828 2.7294 2.7326 5.5405 5.5444 5.8706 5.8753 6.0522 6.1314 6.1885 6.2076 6.6938 6.7065 6.9756 6.9797 7.0719 7.0806 7.1525 7.1551 8.7051 8.7084 8.8685 8.8927 10.6878 10.6959 13.7904 13.8088 14.3343 14.3544 16.1529 16.1995 k = 0.3514 0.5461-0.0000 ( 1184 PWs) bands (ev): 2.5098 2.5117 2.7107 2.7139 5.5417 5.5447 5.8764 5.8797 6.0515 6.1356 6.1858 6.2019 6.7022 6.7122 6.9745 6.9779 7.0668 7.0766 7.1517 7.1537 8.7350 8.7400 8.8969 8.9242 10.6028 10.6102 13.8382 13.8531 14.3048 14.3217 16.1785 16.2252 k = 0.3468 0.5539-0.0000 ( 1184 PWs) bands (ev): 2.5381 2.5403 2.6905 2.6937 5.5426 5.5447 5.8809 5.8831 6.0510 6.1394 6.1839 6.1968 6.7092 6.7165 6.9745 6.9769 7.0622 7.0729 7.1512 7.1526 8.7654 8.7711 8.9138 8.9458 10.5328 10.5388 13.8926 13.9042 14.2648 14.2780 16.2110 16.2541 k = 0.3423 0.5617-0.0000 ( 1184 PWs) bands (ev): 2.5660 2.5683 2.6687 2.6719 5.5433 5.5446 5.8842 5.8855 6.0508 6.1425 6.1831 6.1923 6.7146 6.7192 6.9752 6.9767 7.0583 7.0698 7.1508 7.1518 8.7959 8.8008 8.9174 8.9560 10.4810 10.4851 13.9529 13.9613 14.2149 14.2244 16.2487 16.2847 k = 0.3378 0.5695-0.0000 ( 1184 PWs) bands (ev): 2.5932 2.5958 2.6452 2.6484 5.5438 5.5444 5.8863 5.8868 6.0507 6.1445 6.1835 6.1885 6.7183 6.7205 6.9763 6.9769 7.0555 7.0676 7.1508 7.1512 8.8248 8.8267 8.9080 8.9556 10.4497 10.4518 14.0184 14.0238 14.1563 14.1621 16.2870 16.3105 k = 0.3333 0.5774-0.0000 ( 1188 PWs) bands (ev): 2.6197 2.6198 2.6198 2.6256 5.5441 5.5441 5.8870 5.8870 6.0506 6.1451 6.1854 6.1854 6.7202 6.7202 6.9769 6.9769 7.0545 7.0668 7.1508 7.1508 8.8404 8.8404 8.8968 8.9520 10.4400 10.4400 14.0809 14.0857 14.0979 14.0979 16.3148 16.3148 k = 0.3333 0.5774-0.0000 ( 1188 PWs) bands (ev): 2.6197 2.6198 2.6198 2.6256 5.5441 5.5441 5.8870 5.8870 6.0506 6.1451 6.1854 6.1854 6.7202 6.7202 6.9769 6.9769 7.0545 7.0668 7.1508 7.1508 8.8404 8.8404 8.8968 8.9520 10.4400 10.4400 14.0809 14.0857 14.0979 14.0979 16.3148 16.3148 k = 0.3288 0.5694-0.0000 ( 1186 PWs) bands (ev): 2.5921 2.5948 2.6460 2.6493 5.5438 5.5444 5.8864 5.8866 6.0507 6.1445 6.1831 6.1889 6.7184 6.7204 6.9763 6.9764 7.0557 7.0677 7.1507 7.1511 8.8137 8.8274 8.9139 8.9608 10.4497 10.4515 14.0148 14.0148 14.1652 14.1663 16.2689 16.3066 k = 0.3242 0.5615-0.0000 ( 1186 PWs) bands (ev): 2.5622 2.5649 2.6713 2.6749 5.5437 5.5446 5.8847 5.8847 6.0506 6.1426 6.1816 6.1935 6.7152 6.7189 6.9744 6.9745 7.0594 7.0707 7.1508 7.1516 8.7599 8.7858 8.9460 8.9856 10.4796 10.4826 13.9335 13.9362 14.2428 14.2467 16.1639 16.2337 k = 0.3196 0.5536-0.0000 ( 1186 PWs) bands (ev): 2.5301 2.5327 2.6958 2.6996 5.5436 5.5448 5.8815 5.8819 6.0506 6.1398 6.1810 6.1990 6.7107 6.7159 6.9706 6.9713 7.0655 7.0757 7.1510 7.1523 8.6932 8.7263 8.9818 9.0184 10.5271 10.5309 13.8490 13.8538 14.3247 14.3313 16.0232 16.1074 k = 0.3151 0.5457-0.0000 ( 1188 PWs) bands (ev): 2.4956 2.4981 2.7193 2.7233 5.5437 5.5451 5.8768 5.8781 6.0504 6.1364 6.1812 6.2052 6.7050 6.7115 6.9654 6.9668 7.0734 7.0823 7.1514 7.1532 8.6185 8.6563 9.0192 9.0549 10.5894 10.5935 13.7627 13.7692 14.4105 14.4198 15.8661 15.9554 k = 0.3105 0.5378-0.0000 ( 1188 PWs) bands (ev): 2.4587 2.4610 2.7417 2.7460 5.5441 5.5455 5.8708 5.8733 6.0502 6.1324 6.1822 6.2119 6.6983 6.7059 6.9589 6.9610 7.0825 7.0902 7.1518 7.1542 8.5392 8.5802 9.0576 9.0934 10.6639 10.6681 13.6760 13.6837 14.5000 14.5120 15.7017 15.7923 k = 0.3059 0.5299-0.0000 ( 1184 PWs) bands (ev): 2.4193 2.4215 2.7630 2.7676 5.5448 5.5460 5.8636 5.8677 6.0500 6.1280 6.1841 6.2190 6.6908 6.6992 6.9516 6.9543 7.0925 7.0989 7.1524 7.1553 8.4576 8.5008 9.0967 9.1331 10.7488 10.7526 13.5901 13.5985 14.5932 14.6078 15.5339 15.6243 k = 0.3014 0.5220-0.0000 ( 1188 PWs) bands (ev): 2.3771 2.3791 2.7831 2.7880 5.5457 5.5468 5.8551 5.8608 6.0498 6.1234 6.1866 6.2264 6.6824 6.6916 6.9432 6.9466 7.1026 7.1077 7.1530 7.1565 8.3753 8.4202 9.1361 9.1735 10.8421 10.8455 13.5060 13.5147 14.6897 14.7070 15.3648 15.4542 k = 0.2968 0.5141-0.0000 ( 1196 PWs) bands (ev): 2.3322 2.3340 2.8019 2.8070 5.5470 5.5478 5.8453 5.8530 6.0497 6.1188 6.1899 6.2340 6.6731 6.6830 6.9345 6.9383 7.1124 7.1162 7.1537 7.1578 8.2937 8.3399 9.1756 9.2141 10.9426 10.9455 13.4248 13.4335 14.7896 14.8095 15.1954 15.2834 k = 0.2922 0.5062-0.0000 ( 1196 PWs) bands (ev): 2.2845 2.2861 2.8195 2.8249 5.5488 5.5492 5.8346 5.8442 6.0497 6.1143 6.1938 6.2420 6.6634 6.6739 6.9255 6.9296 7.1220 7.1247 7.1545 7.1593 8.2138 8.2611 9.2149 9.2547 11.0493 11.0515 13.3475 13.3560 14.8923 14.9152 15.0264 15.1132 k = 0.2877 0.4983-0.0000 ( 1194 PWs) bands (ev): 2.2340 2.2354 2.8357 2.8414 5.5508 5.5509 5.8230 5.8346 6.0500 6.1099 6.1983 6.2501 6.6532 6.6642 6.9160 6.9204 7.1310 7.1325 7.1553 7.1608 8.1364 8.1844 9.2535 9.2947 11.1614 11.1630 13.2751 13.2830 14.8584 14.9381 15.0039 15.0242 k = 0.2831 0.4904-0.0000 ( 1194 PWs) bands (ev): 2.1806 2.1818 2.8506 2.8565 5.5528 5.5535 5.8107 5.8242 6.0505 6.1060 6.2034 6.2584 6.6424 6.6539 6.9063 6.9109 7.1391 7.1394 7.1560 7.1624 8.0619 8.1104 9.2910 9.3337 11.2783 11.2791 13.2085 13.2156 14.6917 14.7723 15.1102 15.1360 k = 0.2785 0.4824-0.0000 ( 1194 PWs) bands (ev): 2.1243 2.1253 2.8640 2.8703 5.5552 5.5566 5.7980 5.8131 6.0512 6.1025 6.2090 6.2668 6.6314 6.6432 6.8964 6.9012 7.1452 7.1461 7.1568 7.1640 7.9903 8.0392 9.3269 9.3713 11.3995 11.3996 13.1486 13.1546 14.5265 14.6051 15.2225 15.2509 k = 0.2740 0.4745-0.0000 ( 1194 PWs) bands (ev): 2.0652 2.0660 2.8761 2.8825 5.5580 5.5602 5.7849 5.8015 6.0523 6.0995 6.2149 6.2754 6.6197 6.6321 6.8862 6.8912 7.1498 7.1521 7.1575 7.1655 7.9223 7.9714 9.3608 9.4068 11.5239 11.5246 13.0963 13.1010 14.3632 14.4393 15.3380 15.3687 k = 0.2694 0.4666-0.0000 ( 1196 PWs) bands (ev): 2.0032 2.0038 2.8867 2.8934 5.5612 5.5642 5.7716 5.7895 6.0536 6.0971 6.2212 6.2840 6.6078 6.6206 6.8758 6.8809 7.1531 7.1569 7.1581 7.1668 7.8576 7.9069 9.3920 9.4399 11.6519 11.6533 13.0524 13.0556 14.2019 14.2753 15.4564 15.4893 k = 0.2648 0.4587-0.0000 ( 1196 PWs) bands (ev): 1.9385 1.9389 2.8957 2.9026 5.5647 5.5686 5.7585 5.7773 6.0554 6.0955 6.2278 6.2927 6.5955 6.6088 6.8653 6.8704 7.1551 7.1586 7.1608 7.1678 7.7965 7.8460 9.4201 9.4698 11.7832 11.7853 13.0176 13.0191 14.0427 14.1133 15.5777 15.6127 k = 0.2603 0.4508-0.0000 ( 1196 PWs) bands (ev): 1.8711 1.8713 2.9033 2.9105 5.5687 5.5736 5.7458 5.7653 6.0576 6.0947 6.2347 6.3015 6.5830 6.5969 6.8546 6.8598 7.1557 7.1589 7.1639 7.1680 7.7385 7.7881 9.4446 9.4963 11.9176 11.9205 12.9923 12.9926 13.8860 13.9535 15.7017 15.7388 k = 0.2557 0.4429-0.0000 ( 1188 PWs) bands (ev): 1.8012 1.8012 2.9095 2.9168 5.5734 5.5793 5.7338 5.7537 6.0602 6.0946 6.2418 6.3104 6.5704 6.5849 6.8440 6.8493 7.1546 7.1593 7.1662 7.1674 7.6836 7.7333 9.4650 9.5188 12.0549 12.0586 12.9756 12.9780 13.7320 13.7961 15.8285 15.8675 k = 0.2511 0.4350-0.0000 ( 1192 PWs) bands (ev): 1.7286 1.7288 2.9142 2.9217 5.5783 5.5853 5.7223 5.7424 6.0632 6.0952 6.2489 6.3192 6.5575 6.5727 6.8331 6.8385 7.1517 7.1594 7.1649 7.1687 7.6316 7.6816 9.4808 9.5367 12.1950 12.1995 12.9693 12.9742 13.5809 13.6413 15.9578 15.9987 k = 0.2466 0.4271-0.0000 ( 1192 PWs) bands (ev): 1.6537 1.6540 2.9174 2.9251 5.5839 5.5919 5.7118 5.7320 6.0665 6.0965 6.2562 6.3280 6.5445 6.5605 6.8222 6.8276 7.1474 7.1596 7.1614 7.1706 7.5822 7.6324 9.4918 9.5500 12.3377 12.3429 12.9734 12.9814 13.4335 13.4893 16.0897 16.1324 k = 0.2420 0.4192-0.0000 ( 1192 PWs) bands (ev): 1.5768 1.5772 2.9191 2.9269 5.5897 5.5988 5.7024 5.7225 6.0703 6.0985 6.2634 6.3366 6.5315 6.5485 6.8112 6.8166 7.1414 7.1564 7.1594 7.1724 7.5355 7.5863 9.4977 9.5584 12.4828 12.4889 12.9861 12.9990 13.2920 13.3412 16.2240 16.2684 k = 0.2374 0.4113-0.0000 ( 1196 PWs) bands (ev): 1.4979 1.4985 2.9193 2.9271 5.5958 5.6060 5.6941 5.7140 6.0745 6.1010 6.2704 6.3452 6.5184 6.5365 6.8001 6.8055 7.1338 7.1499 7.1589 7.1739 7.4911 7.5426 9.4986 9.5618 12.6300 12.6372 12.9976 13.0236 13.1663 13.2005 16.3606 16.4067 k = 0.2329 0.4034-0.0000 ( 1196 PWs) bands (ev): 1.4173 1.4180 2.9180 2.9260 5.6025 5.6136 5.6872 5.7070 6.0791 6.1044 6.2774 6.3535 6.5056 6.5250 6.7890 6.7945 7.1247 7.1417 7.1581 7.1754 7.4489 7.5015 9.4943 9.5603 12.7781 12.7876 12.9536 13.0099 13.1121 13.1125 16.4995 16.5471 k = 0.2283 0.3954-0.0000 ( 1196 PWs) bands (ev): 1.3352 1.3360 2.9152 2.9233 5.6095 5.6214 5.6818 5.7016 6.0841 6.1083 6.2841 6.3615 6.4931 6.5138 6.7780 6.7834 7.1140 7.1321 7.1567 7.1768 7.4085 7.4627 9.4851 9.5539 12.8285 12.8893 12.9385 12.9414 13.1434 13.1447 16.6406 16.6896 k = 0.2237 0.3875-0.0000 ( 1196 PWs) bands (ev): 1.2517 1.2526 2.9110 2.9192 5.6169 5.6293 5.6778 5.6980 6.0894 6.1128 6.2904 6.3690 6.4811 6.5032 6.7670 6.7724 7.1020 7.1209 7.1547 7.1780 7.3700 7.4262 9.4712 9.5429 12.7028 12.7550 13.0886 13.0953 13.2018 13.2065 16.7836 16.8340 k = 0.2192 0.3796-0.0000 ( 1196 PWs) bands (ev): 1.1671 1.1680 2.9055 2.9136 5.6246 5.6371 5.6755 5.6964 6.0952 6.1179 6.2962 6.3758 6.4699 6.4933 6.7560 6.7614 7.0885 7.1083 7.1519 7.1791 7.3330 7.3921 9.4529 9.5276 12.5734 12.6204 13.2425 13.2515 13.2760 13.2820 16.9286 16.9802 k = 0.2146 0.3717-0.0000 ( 1192 PWs) bands (ev): 1.0816 1.0826 2.8985 2.9066 5.6326 5.6445 5.6748 5.6971 6.1014 6.1236 6.3016 6.3816 6.4599 6.4842 6.7453 6.7506 7.0737 7.0943 7.1480 7.1802 7.2975 7.3605 9.4304 9.5084 12.4457 12.4883 13.3562 13.3671 13.4041 13.4110 17.0754 17.1281 k = 0.2100 0.3638-0.0000 ( 1196 PWs) bands (ev): 0.9954 0.9964 2.8901 2.8982 5.6407 5.6514 5.6757 5.7001 6.1077 6.1295 6.3060 6.3854 6.4517 6.4761 6.7345 6.7397 7.0577 7.0789 7.1425 7.1809 7.2633 7.3314 9.4042 9.4854 12.3205 12.3590 13.4517 13.4635 13.5628 13.5709 17.2238 17.2775 k = 0.2055 0.3559-0.0000 ( 1194 PWs) bands (ev): 0.9086 0.9097 2.8805 2.8885 5.6490 5.6579 5.6784 5.7055 6.1144 6.1360 6.3097 6.3867 6.4464 6.4692 6.7238 6.7290 7.0407 7.0625 7.1351 7.1814 7.2304 7.3056 9.3746 9.4592 12.1984 12.2328 13.5561 13.5692 13.7239 13.7327 17.3737 17.4283 k = 0.2009 0.3480-0.0000 ( 1190 PWs) bands (ev): 0.8215 0.8226 2.8695 2.8775 5.6575 5.6642 5.6829 5.7132 6.1215 6.1428 6.3124 6.3847 6.4446 6.4636 6.7133 6.7183 7.0225 7.0447 7.1253 7.1808 7.1997 7.2832 9.3420 9.4301 12.0795 12.1101 13.6694 13.6836 13.8866 13.8959 17.5250 17.5803 k = 0.1963 0.3401-0.0000 ( 1190 PWs) bands (ev): 0.7343 0.7354 2.8573 2.8652 5.6659 5.6704 5.6889 5.7225 6.1287 6.1500 6.3142 6.3798 6.4460 6.4595 6.7030 6.7078 7.0034 7.0259 7.1125 7.1645 7.1855 7.2645 9.3065 9.3981 11.9641 11.9908 13.7909 13.8062 14.0508 14.0605 17.6774 17.7332 k = 0.1918 0.3322-0.0000 ( 1194 PWs) bands (ev): 0.6472 0.6482 2.8439 2.8518 5.6745 5.6769 5.6963 5.7331 6.1360 6.1574 6.3150 6.3731 6.4495 6.4568 6.6930 6.6974 6.9834 7.0061 7.0968 7.1353 7.1847 7.2495 9.2685 9.3635 11.8523 11.8751 13.9203 13.9365 14.2162 14.2264 17.8309 17.8871 k = 0.1872 0.3243-0.0000 ( 1194 PWs) bands (ev): 0.5602 0.5613 2.8293 2.8370 5.6836 5.6843 5.7049 5.7447 6.1436 6.1650 6.3148 6.3656 6.4541 6.4555 6.6832 6.6872 6.9628 6.9855 7.0785 7.1060 7.1848 7.2380 9.2283 9.3269 11.7441 11.7631 14.0569 14.0740 14.3828 14.3933 17.9851 18.0416 k = 0.1826 0.3164-0.0000 ( 1194 PWs) bands (ev): 0.4737 0.4748 2.8136 2.8211 5.6924 5.6933 5.7145 5.7572 6.1513 6.1727 6.3139 6.3581 6.4555 6.4593 6.6737 6.6771 6.9416 6.9642 7.0581 7.0774 7.1849 7.2292 9.1861 9.2881 11.6398 11.6550 14.2003 14.2182 14.5503 14.5612 18.1400 18.1965 k = 0.1781 0.3084-0.0000 ( 1190 PWs) bands (ev): 0.3878 0.3888 2.7968 2.8042 5.7014 5.7037 5.7249 5.7704 6.1591 6.1806 6.3125 6.3508 6.4567 6.4646 6.6647 6.6674 6.9202 6.9425 7.0364 7.0494 7.1850 7.2225 9.1420 9.2474 11.5394 11.5509 14.3502 14.3687 14.7187 14.7298 18.2953 18.3518 k = 0.1735 0.3005-0.0000 ( 1190 PWs) bands (ev): 0.3026 0.3036 2.7790 2.7861 5.7112 5.7149 5.7360 5.7841 6.1669 6.1883 6.3107 6.3442 6.4587 6.4698 6.6561 6.6578 6.8982 6.9201 7.0137 7.0220 7.1849 7.2172 9.0960 9.2047 11.4430 11.4509 14.5060 14.5252 14.8877 14.8990 18.4507 18.5070 k = 0.1689 0.2926-0.0000 ( 1190 PWs) bands (ev): 0.2182 0.2192 2.7602 2.7672 5.7220 5.7268 5.7475 5.7983 6.1747 6.1960 6.3089 6.3383 6.4615 6.4748 6.6480 6.6485 6.8760 6.8973 6.9905 6.9952 7.1847 7.2131 9.0484 9.1602 11.3507 11.3551 14.6674 14.6872 15.0571 15.0686 18.6062 18.6620 k = 0.1644 0.2847-0.0000 ( 1188 PWs) bands (ev): 0.1349 0.1359 2.7406 2.7473 5.7336 5.7395 5.7597 5.8129 6.1824 6.2034 6.3072 6.3335 6.4648 6.4794 6.6395 6.6406 6.8537 6.8743 6.9672 6.9690 7.1844 7.2096 8.9992 9.1140 11.2625 11.2635 14.8341 14.8544 15.2267 15.2383 18.7616 18.8167 k = 0.1598 0.2768-0.0000 ( 1184 PWs) bands (ev): 0.0527 0.0536 2.7201 2.7266 5.7459 5.7528 5.7723 5.8280 6.1901 6.2104 6.3058 6.3298 6.4686 6.4837 6.6307 6.6338 6.8315 6.8511 6.9434 6.9439 7.1841 7.2068 8.9484 9.0660 11.1762 11.1784 15.0058 15.0266 15.3964 15.4081 18.9165 18.9707 k = 0.1553 0.2689-0.0000 ( 1184 PWs) bands (ev): -0.0282 -0.0274 2.6990 2.7052 5.7590 5.7667 5.7855 5.8435 6.1975 6.2170 6.3047 6.3272 6.4725 6.4873 6.6222 6.6278 6.8093 6.8277 6.9184 6.9209 7.1835 7.2043 8.8962 9.0163 11.0934 11.0985 15.1821 15.2033 15.5657 15.5775 19.0708 19.1239 k = 0.1507 0.2610-0.0000 ( 1188 PWs) bands (ev): -0.1078 -0.1070 2.6770 2.6830 5.7727 5.7811 5.7991 5.8592 6.2047 6.2228 6.3040 6.3258 6.4766 6.4903 6.6139 6.6227 6.7874 6.8042 6.8940 6.8981 7.1828 7.2020 8.8424 8.9648 11.0149 11.0228 15.3629 15.3845 15.7345 15.7463 19.2243 19.2761 k = 0.1461 0.2531-0.0000 ( 1188 PWs) bands (ev): -0.1859 -0.1851 2.6546 2.6603 5.7870 5.7959 5.8133 5.8754 6.2116 6.2281 6.3038 6.3257 6.4807 6.4927 6.6057 6.6184 6.7662 6.7812 6.8703 6.8759 7.1819 7.1998 8.7873 8.9116 10.9408 10.9513 15.5477 15.5697 15.9025 15.9142 19.3768 19.4271 k = 0.1416 0.2452-0.0000 ( 1182 PWs) bands (ev): -0.2624 -0.2617 2.6318 2.6372 5.8020 5.8113 5.8282 5.8920 6.2183 6.2328 6.3040 6.3268 6.4848 6.4945 6.5978 6.6152 6.7458 6.7584 6.8472 6.8542 7.1809 7.1978 8.7309 8.8569 10.8712 10.8840 15.7364 15.7587 16.0692 16.0809 19.5282 19.5769 k = 0.1370 0.2373-0.0000 ( 1182 PWs) bands (ev): -0.3372 -0.3365 2.6085 2.6136 5.8173 5.8268 5.8436 5.9089 6.2246 6.2368 6.3047 6.3288 6.4888 6.4958 6.5899 6.6128 6.7263 6.7359 6.8248 6.8331 7.1798 7.1958 8.6732 8.8006 10.8059 10.8206 15.9288 15.9514 16.2344 16.2460 19.6785 19.7252 k = 0.1324 0.2294-0.0000 ( 1182 PWs) bands (ev): -0.4103 -0.4096 2.5847 2.5895 5.8330 5.8427 5.8595 5.9261 6.2307 6.2404 6.3057 6.3314 6.4927 6.4968 6.5819 6.6112 6.7079 6.7140 6.8032 6.8127 7.1785 7.1939 8.6143 8.7427 10.7448 10.7612 16.1246 16.1474 16.3977 16.4090 19.8275 19.8721 k = 0.1279 0.2214-0.0000 ( 1182 PWs) bands (ev): -0.4815 -0.4809 2.5608 2.5653 5.8490 5.8589 5.8758 5.9437 6.2364 6.2436 6.3070 6.3345 6.4963 6.4975 6.5737 6.6104 6.6909 6.6926 6.7822 6.7930 7.1771 7.1920 8.5543 8.6835 10.6879 10.7057 16.3235 16.3466 16.5586 16.5697 19.9753 20.0176 k = 0.1233 0.2135-0.0000 ( 1178 PWs) bands (ev): -0.5508 -0.5502 2.5367 2.5409 5.8654 5.8755 5.8925 5.9616 6.2419 6.2466 6.3084 6.3377 6.4983 6.4996 6.5653 6.6100 6.6722 6.6758 6.7623 6.7745 7.1755 7.1901 8.4935 8.6229 10.6350 10.6539 16.5253 16.5487 16.7167 16.7275 20.1219 20.1618 k = 0.1187 0.2056-0.0000 ( 1176 PWs) bands (ev): -0.6180 -0.6175 2.5125 2.5164 5.8819 5.8926 5.9095 5.9799 6.2470 6.2495 6.3099 6.3406 6.4994 6.5023 6.5568 6.6095 6.6531 6.6625 6.7432 6.7567 7.1738 7.1881 8.4317 8.5612 10.5859 10.6057 16.7297 16.7533 16.8716 16.8822 20.2675 20.3047 k = 0.1142 0.1977-0.0000 ( 1172 PWs) bands (ev): -0.6833 -0.6828 2.4883 2.4920 5.8985 5.9102 5.9267 5.9986 6.2519 6.2523 6.3114 6.3432 6.5010 6.5038 6.5487 6.6074 6.6368 6.6512 6.7247 6.7398 7.1721 7.1862 8.3694 8.4986 10.5406 10.5609 16.9361 16.9596 17.0232 17.0336 20.4122 20.4468 k = 0.1096 0.1898-0.0000 ( 1172 PWs) bands (ev): -0.7464 -0.7459 2.4642 2.4676 5.9151 5.9282 5.9440 6.0177 6.2551 6.2562 6.3127 6.3451 6.5027 6.5031 6.5422 6.5998 6.6271 6.6418 6.7071 6.7240 7.1701 7.1842 8.3064 8.4350 10.4987 10.5194 17.1408 17.1606 17.1744 17.1882 20.5563 20.5881 k = 0.1050 0.1819-0.0000 ( 1168 PWs) bands (ev): -0.8073 -0.8068 2.4404 2.4435 5.9318 5.9466 5.9616 6.0371 6.2580 6.2604 6.3139 6.3463 6.4981 6.5059 6.5387 6.5863 6.6244 6.6341 6.6905 6.7095 7.1680 7.1822 8.2431 8.3708 10.4602 10.4810 17.3051 17.3150 17.3631 17.3866 20.7002 20.7291 k = 0.1005 0.1740-0.0000 ( 1168 PWs) bands (ev): -0.8659 -0.8655 2.4168 2.4197 5.9483 5.9653 5.9794 6.0569 6.2607 6.2639 6.3149 6.3468 6.4899 6.5093 6.5385 6.5708 6.6247 6.6278 6.6751 6.6964 7.1658 7.1802 8.1795 8.3061 10.4248 10.4456 17.4429 17.4517 17.5745 17.5988 20.8442 20.8703 k = 0.0959 0.1661-0.0000 ( 1168 PWs) bands (ev): -0.9223 -0.9219 2.3936 2.3962 5.9646 5.9837 5.9979 6.0770 6.2633 6.2668 6.3157 6.3467 6.4794 6.5133 6.5402 6.5554 6.6224 6.6257 6.6611 6.6849 7.1634 7.1781 8.1159 8.2410 10.3924 10.4129 17.5732 17.5814 17.7888 17.8134 20.9887 21.0120 k = 0.0913 0.1582-0.0000 ( 1168 PWs) bands (ev): -0.9763 -0.9760 2.3708 2.3732 5.9807 6.0015 6.0175 6.0973 6.2657 6.2691 6.3164 6.3463 6.4680 6.5174 6.5411 6.5430 6.6177 6.6260 6.6494 6.6752 7.1609 7.1760 8.0523 8.1757 10.3627 10.3828 17.6968 17.7044 18.0047 18.0294 21.1342 21.1547 k = 0.0868 0.1503-0.0000 ( 1168 PWs) bands (ev): -1.0280 -1.0277 2.3486 2.3508 5.9964 6.0183 6.0384 6.1178 6.2679 6.2707 6.3171 6.3457 6.4565 6.5185 6.5310 6.5461 6.6133 6.6231 6.6423 6.6675 7.1582 7.1738 7.9890 8.1105 10.3355 10.3551 17.8134 17.8204 18.2215 18.2464 21.2810 21.2989 k = 0.0822 0.1424-0.0000 ( 1168 PWs) bands (ev): -1.0772 -1.0769 2.3270 2.3290 6.0117 6.0341 6.0606 6.1380 6.2698 6.2715 6.3178 6.3454 6.4453 6.5097 6.5320 6.5492 6.6092 6.6157 6.6410 6.6618 7.1554 7.1717 7.9261 8.0454 10.3108 10.3297 17.9228 17.9291 18.4388 18.4639 21.4294 21.4448 k = 0.0776 0.1345-0.0000 ( 1168 PWs) bands (ev): -1.1239 -1.1237 2.3061 2.3079 6.0265 6.0489 6.0838 6.1578 6.2713 6.2713 6.3186 6.3458 6.4347 6.4982 6.5368 6.5519 6.6054 6.6069 6.6425 6.6581 7.1524 7.1696 7.8638 7.9807 10.2883 10.3065 18.0246 18.0304 18.6562 18.6814 21.5797 21.5928 k = 0.0731 0.1265-0.0000 ( 1168 PWs) bands (ev): -1.1682 -1.1680 2.2860 2.2876 6.0408 6.0629 6.1078 6.1765 6.2703 6.2726 6.3196 6.3476 6.4249 6.4870 6.5421 6.5539 6.5986 6.6022 6.6450 6.6561 7.1493 7.1674 7.8023 7.9165 10.2679 10.2852 18.1188 18.1241 18.8731 18.8984 21.7321 21.7430 k = 0.0685 0.1186-0.0000 ( 1168 PWs) bands (ev): -1.2099 -1.2097 2.2668 2.2682 6.0543 6.0759 6.1325 6.1932 6.2685 6.2738 6.3209 6.3516 6.4162 6.4768 6.5471 6.5551 6.5914 6.5998 6.6478 6.6555 7.1460 7.1653 7.7417 7.8529 10.2494 10.2658 18.2054 18.2101 19.0890 19.1144 21.8864 21.8954 k = 0.0639 0.1107-0.0000 ( 1164 PWs) bands (ev): -1.2491 -1.2489 2.2485 2.2497 6.0673 6.0881 6.1576 6.2070 6.2659 6.2751 6.3228 6.3584 6.4085 6.4675 6.5514 6.5555 6.5859 6.5985 6.6509 6.6560 7.1427 7.1635 7.6825 7.7902 10.2327 10.2482 18.2843 18.2885 19.3032 19.3286 22.0426 22.0499 k = 0.0594 0.1028-0.0000 ( 1168 PWs) bands (ev): -1.2857 -1.2855 2.2310 2.2321 6.0797 6.0994 6.1824 6.2169 6.2626 6.2767 6.3254 6.3688 6.4020 6.4592 6.5542 6.5550 6.5825 6.5981 6.6540 6.6573 7.1388 7.1612 7.6246 7.7285 10.2177 10.2321 18.3558 18.3595 19.5149 19.5403 22.2001 22.2059 k = 0.0548 0.0949-0.0000 ( 1168 PWs) bands (ev): -1.3196 -1.3195 2.2146 2.2156 6.0913 6.1098 6.2063 6.2226 6.2590 6.2787 6.3295 6.3827 6.3966 6.4521 6.5541 6.5552 6.5817 6.5985 6.6572 6.6593 7.1347 7.1591 7.5685 7.6679 10.2042 10.2176 18.4200 18.4233 19.7232 19.7484 22.3584 22.3630 k = 0.0502 0.0870-0.0000 ( 1167 PWs) bands (ev): -1.3510 -1.3508 2.1994 2.2002 6.1022 6.1193 6.2247 6.2275 6.2556 6.2807 6.3359 6.3926 6.3991 6.4468 6.5529 6.5547 6.5831 6.5993 6.6606 6.6619 7.1303 7.1572 7.5145 7.6088 10.1922 10.2046 18.4774 18.4802 19.9269 19.9519 22.5166 22.5203 k = 0.0457 0.0791-0.0000 ( 1163 PWs) bands (ev): -1.3796 -1.3795 2.1853 2.1860 6.1125 6.1279 6.2243 6.2407 6.2566 6.2825 6.3462 6.3898 6.4147 6.4462 6.5517 6.5535 6.5857 6.6004 6.6638 6.6648 7.1254 7.1552 7.4630 7.5513 10.1816 10.1929 18.5280 18.5306 20.1249 20.1495 22.6735 22.6765 k = 0.0411 0.0712-0.0000 ( 1163 PWs) bands (ev): -1.4056 -1.4055 2.1724 2.1731 6.1220 6.1356 6.2222 6.2403 6.2660 6.2838 6.3609 6.3887 6.4210 6.4570 6.5506 6.5524 6.5887 6.6016 6.6670 6.6677 7.1198 7.1531 7.4146 7.4956 10.1723 10.1825 18.5724 18.5746 20.3155 20.3396 22.8277 22.8303 k = 0.0365 0.0633-0.0000 ( 1163 PWs) bands (ev): -1.4289 -1.4288 2.1608 2.1613 6.1308 6.1425 6.2192 6.2360 6.2742 6.2848 6.3767 6.3926 6.4197 6.4766 6.5498 6.5520 6.5917 6.6027 6.6700 6.6707 7.1133 7.1509 7.3698 7.4421 10.1642 10.1733 18.6110 18.6128 20.4970 20.5202 22.9772 22.9798 k = 0.0320 0.0554-0.0000 ( 1163 PWs) bands (ev): -1.4495 -1.4494 2.1503 2.1507 6.1389 6.1486 6.2157 6.2310 6.2795 6.2854 6.3821 6.4113 6.4164 6.4976 6.5494 6.5531 6.5946 6.6038 6.6731 6.6738 7.1058 7.1484 7.3294 7.3913 10.1572 10.1652 18.6440 18.6456 20.6672 20.6892 23.1196 23.1225 k = 0.0274 0.0475-0.0000 ( 1165 PWs) bands (ev): -1.4674 -1.4673 2.1412 2.1416 6.1464 6.1540 6.2120 6.2258 6.2824 6.2856 6.3835 6.4128 6.4367 6.5159 6.5491 6.5568 6.5971 6.6046 6.6758 6.6765 7.0974 7.1453 7.2944 7.3441 10.1514 10.1582 18.6717 18.6731 20.8238 20.8442 23.2520 23.2556 k = 0.0228 0.0395-0.0000 ( 1169 PWs) bands (ev): -1.4825 -1.4825 2.1335 2.1338 6.1532 6.1588 6.2084 6.2205 6.2839 6.2856 6.3847 6.4093 6.4632 6.5277 6.5494 6.5653 6.5992 6.6052 6.6782 6.6790 7.0883 7.1411 7.2653 7.3013 10.1466 10.1523 18.6946 18.6957 20.9639 20.9824 23.3706 23.3753 k = 0.0183 0.0316-0.0000 ( 1169 PWs) bands (ev): -1.4949 -1.4949 2.1270 2.1272 6.1593 6.1630 6.2049 6.2155 6.2849 6.2857 6.3862 6.4060 6.4887 6.5333 6.5509 6.5772 6.6011 6.6058 6.6807 6.6813 7.0795 7.1348 7.2424 7.2644 10.1429 10.1474 18.7131 18.7139 21.0848 21.1006 23.4705 23.4768 k = 0.0137 0.0237-0.0000 ( 1169 PWs) bands (ev): -1.5046 -1.5045 2.1221 2.1222 6.1646 6.1666 6.2020 6.2106 6.2853 6.2856 6.3879 6.4029 6.5107 6.5355 6.5545 6.5878 6.6025 6.6061 6.6829 6.6833 7.0728 7.1251 7.2254 7.2358 10.1401 10.1435 18.7272 18.7278 21.1835 21.1961 23.5462 23.5541 k = 0.0091 0.0158-0.0000 ( 1169 PWs) bands (ev): -1.5115 -1.5114 2.1185 2.1186 6.1688 6.1696 6.1999 6.2062 6.2855 6.2856 6.3899 6.3999 6.5256 6.5364 6.5627 6.5936 6.6035 6.6061 6.6846 6.6848 7.0702 7.1115 7.2138 7.2170 10.1383 10.1406 18.7371 18.7375 21.2571 21.2659 23.5949 23.6027 k = 0.0046 0.0079-0.0000 ( 1165 PWs) bands (ev): -1.5156 -1.5156 2.1165 2.1165 6.1717 6.1718 6.1992 6.2026 6.2856 6.2856 6.3923 6.3973 6.5327 6.5364 6.5749 6.5931 6.6046 6.6059 6.6857 6.6858 7.0733 7.0961 7.2069 7.2073 10.1375 10.1386 18.7431 18.7433 21.3034 21.3079 23.6205 23.6253 k = 0.0000 0.0000 0.0000 ( 1165 PWs) bands (ev): -1.5170 -1.5170 2.1158 2.1158 6.1727 6.1727 6.2001 6.2001 6.2856 6.2856 6.3947 6.3947 6.5355 6.5355 6.5863 6.5863 6.6054 6.6054 6.6861 6.6861 7.0823 7.0823 7.2046 7.2046 10.1376 10.1376 18.7451 18.7451 21.3205 21.3205 23.6299 23.6299 k = 0.0000 0.0000 0.0000 ( 1165 PWs) bands (ev): -1.5170 -1.5170 2.1158 2.1158 6.1727 6.1727 6.2001 6.2001 6.2856 6.2856 6.3947 6.3947 6.5355 6.5355 6.5863 6.5863 6.6054 6.6054 6.6861 6.6861 7.0823 7.0823 7.2046 7.2046 10.1376 10.1376 18.7451 18.7451 21.3205 21.3205 23.6299 23.6299 k = 0.0000 0.0000 0.0090 ( 1165 PWs) bands (ev): -1.5156 -1.5156 2.1134 2.1134 6.1724 6.1724 6.1996 6.1996 6.2855 6.2855 6.3943 6.3943 6.5350 6.5350 6.5825 6.5825 6.6061 6.6061 6.6866 6.6866 7.0824 7.0824 7.2044 7.2044 10.1467 10.1467 18.7434 18.7434 21.3204 21.3204 23.6315 23.6315 k = 0.0000 0.0000 0.0179 ( 1165 PWs) bands (ev): -1.5115 -1.5115 2.1064 2.1064 6.1718 6.1718 6.1983 6.1983 6.2850 6.2850 6.3931 6.3931 6.5333 6.5333 6.5713 6.5713 6.6083 6.6083 6.6880 6.6880 7.0824 7.0824 7.2041 7.2041 10.1738 10.1738 18.7384 18.7384 21.3202 21.3202 23.6362 23.6362 k = 0.0000 0.0000 0.0269 ( 1153 PWs) bands (ev): -1.5047 -1.5047 2.0952 2.0952 6.1708 6.1708 6.1962 6.1962 6.2843 6.2843 6.3912 6.3912 6.5295 6.5295 6.5543 6.5543 6.6119 6.6119 6.6905 6.6905 7.0828 7.0828 7.2039 7.2039 10.2184 10.2184 18.7300 18.7300 21.3201 21.3201 23.6442 23.6442 k = 0.0000 0.0000 0.0358 ( 1153 PWs) bands (ev): -1.4952 -1.4952 2.0789 2.0789 6.1694 6.1694 6.1931 6.1931 6.2831 6.2831 6.3886 6.3886 6.5170 6.5170 6.5387 6.5387 6.6167 6.6167 6.6939 6.6939 7.0828 7.0828 7.2032 7.2032 10.2797 10.2797 18.7181 18.7181 21.3197 21.3197 23.6554 23.6554 k = 0.0000 0.0000 0.0448 ( 1153 PWs) bands (ev): -1.4830 -1.4830 2.0579 2.0579 6.1676 6.1676 6.1892 6.1892 6.2817 6.2817 6.3853 6.3853 6.4896 6.4896 6.5316 6.5316 6.6226 6.6226 6.6981 6.6981 7.0829 7.0829 7.2022 7.2022 10.3567 10.3567 18.7027 18.7027 21.3193 21.3193 23.6697 23.6697 k = 0.0000 0.0000 0.0537 ( 1153 PWs) bands (ev): -1.4681 -1.4681 2.0324 2.0324 6.1656 6.1656 6.1846 6.1846 6.2799 6.2799 6.3815 6.3815 6.4547 6.4547 6.5269 6.5269 6.6297 6.6297 6.7032 6.7032 7.0829 7.0829 7.2010 7.2010 10.4482 10.4482 18.6838 18.6838 21.3189 21.3189 23.6872 23.6872 k = 0.0000 0.0000 0.0627 ( 1165 PWs) bands (ev): -1.4505 -1.4505 2.0023 2.0023 6.1630 6.1630 6.1790 6.1790 6.2777 6.2777 6.3770 6.3770 6.4154 6.4154 6.5221 6.5221 6.6377 6.6377 6.7092 6.7092 7.0826 7.0826 7.1992 7.1992 10.5532 10.5532 18.6612 18.6612 21.3184 21.3184 23.7078 23.7078 k = 0.0000 0.0000 0.0716 ( 1177 PWs) bands (ev): -1.4303 -1.4303 1.9678 1.9678 6.1603 6.1603 6.1728 6.1728 6.2750 6.2750 6.3723 6.3723 6.3735 6.3735 6.5169 6.5169 6.6463 6.6463 6.7156 6.7156 7.0825 7.0825 7.1974 7.1974 10.6704 10.6704 18.6346 18.6346 21.3180 21.3180 23.7316 23.7316 k = 0.0000 0.0000 0.0806 ( 1177 PWs) bands (ev): -1.4073 -1.4073 1.9290 1.9290 6.1577 6.1577 6.1659 6.1659 6.2722 6.2722 6.3301 6.3301 6.3675 6.3675 6.5115 6.5115 6.6559 6.6559 6.7231 6.7231 7.0823 7.0823 7.1955 7.1955 10.7987 10.7987 18.6044 18.6044 21.3179 21.3179 23.7585 23.7585 k = 0.0000 0.0000 0.0896 ( 1177 PWs) bands (ev): -1.3817 -1.3817 1.8859 1.8859 6.1549 6.1549 6.1584 6.1584 6.2691 6.2691 6.2861 6.2861 6.3624 6.3624 6.5056 6.5056 6.6662 6.6662 6.7313 6.7313 7.0820 7.0820 7.1932 7.1932 10.9371 10.9371 18.5700 18.5700 21.3180 21.3180 23.7885 23.7885 k = 0.0000 0.0000 0.0985 ( 1177 PWs) bands (ev): -1.3534 -1.3534 1.8386 1.8386 6.1503 6.1503 6.1521 6.1521 6.2418 6.2418 6.2660 6.2660 6.3573 6.3573 6.4997 6.4997 6.6772 6.6772 6.7404 6.7404 7.0813 7.0813 7.1904 7.1904 11.0844 11.0844 18.5316 18.5316 21.3184 21.3184 23.8216 23.8216 k = 0.0000 0.0000 0.1075 ( 1177 PWs) bands (ev): -1.3226 -1.3226 1.7874 1.7874 6.1416 6.1416 6.1493 6.1493 6.1988 6.1988 6.2623 6.2623 6.3521 6.3521 6.4931 6.4931 6.6886 6.6886 6.7499 6.7499 7.0806 7.0806 7.1876 7.1876 11.2400 11.2400 18.4886 18.4886 21.3192 21.3192 23.8578 23.8578 k = 0.0000 0.0000 0.1164 ( 1177 PWs) bands (ev): -1.2891 -1.2891 1.7324 1.7324 6.1322 6.1322 6.1466 6.1466 6.1572 6.1572 6.2582 6.2582 6.3470 6.3470 6.4862 6.4862 6.7004 6.7004 6.7599 6.7599 7.0798 7.0798 7.1845 7.1845 11.4029 11.4029 18.4409 18.4409 21.3206 21.3206 23.8970 23.8970 k = 0.0000 0.0000 0.1254 ( 1177 PWs) bands (ev): -1.2531 -1.2531 1.6737 1.6737 6.1175 6.1175 6.1223 6.1223 6.1439 6.1439 6.2539 6.2539 6.3419 6.3419 6.4789 6.4789 6.7125 6.7125 6.7704 6.7704 7.0787 7.0787 7.1811 7.1811 11.5724 11.5724 18.3883 18.3883 21.3227 21.3227 23.9392 23.9392 k = 0.0000 0.0000 0.1343 ( 1177 PWs) bands (ev): -1.2145 -1.2145 1.6117 1.6117 6.0800 6.0800 6.1119 6.1119 6.1414 6.1414 6.2493 6.2493 6.3370 6.3370 6.4714 6.4714 6.7249 6.7249 6.7814 6.7814 7.0774 7.0774 7.1774 7.1774 11.7479 11.7479 18.3305 18.3305 21.3255 21.3255 23.9845 23.9845 k = 0.0000 0.0000 0.1433 ( 1171 PWs) bands (ev): -1.1734 -1.1734 1.5464 1.5464 6.0451 6.0451 6.1015 6.1015 6.1390 6.1390 6.2446 6.2446 6.3324 6.3324 6.4637 6.4637 6.7376 6.7376 6.7928 6.7928 7.0758 7.0758 7.1734 7.1734 11.9287 11.9287 18.2673 18.2673 21.3293 21.3293 24.0326 24.0326 k = 0.0000 0.0000 0.1522 ( 1171 PWs) bands (ev): -1.1298 -1.1298 1.4782 1.4782 6.0128 6.0128 6.0901 6.0901 6.1368 6.1368 6.2396 6.2396 6.3281 6.3281 6.4558 6.4558 6.7505 6.7505 6.8045 6.8045 7.0738 7.0738 7.1690 7.1690 12.1142 12.1142 18.1982 18.1982 21.3341 21.3341 24.0837 24.0837 k = 0.0000 0.0000 0.1612 ( 1171 PWs) bands (ev): -1.0838 -1.0838 1.4073 1.4073 5.9834 5.9834 6.0782 6.0782 6.1349 6.1349 6.2344 6.2344 6.3240 6.3240 6.4478 6.4478 6.7634 6.7634 6.8165 6.8165 7.0715 7.0715 7.1642 7.1642 12.3040 12.3040 18.1230 18.1230 21.3401 21.3401 24.1377 24.1377 k = 0.0000 0.0000 0.1702 ( 1171 PWs) bands (ev): -1.0353 -1.0353 1.3339 1.3339 5.9568 5.9568 6.0659 6.0659 6.1331 6.1331 6.2291 6.2291 6.3204 6.3204 6.4398 6.4398 6.7765 6.7765 6.8287 6.8287 7.0689 7.0689 7.1591 7.1591 12.4976 12.4976 18.0415 18.0415 21.3476 21.3476 24.0978 24.0978 k = 0.0000 0.0000 0.1791 ( 1171 PWs) bands (ev): -0.9845 -0.9845 1.2583 1.2583 5.9331 5.9331 6.0533 6.0533 6.1317 6.1317 6.2237 6.2237 6.3171 6.3171 6.4316 6.4316 6.7896 6.7896 6.8412 6.8412 7.0658 7.0658 7.1537 7.1537 12.6944 12.6944 17.9531 17.9531 21.3566 21.3566 23.8915 23.8915 k = 0.0000 0.0000 0.1881 ( 1171 PWs) bands (ev): -0.9313 -0.9313 1.1807 1.1807 5.9123 5.9123 6.0404 6.0404 6.1306 6.1306 6.2183 6.2183 6.3144 6.3144 6.4235 6.4235 6.8027 6.8027 6.8538 6.8538 7.0624 7.0624 7.1478 7.1478 12.8942 12.8942 17.8578 17.8578 21.3674 21.3674 23.6929 23.6929 k = 0.0000 0.0000 0.1970 ( 1171 PWs) bands (ev): -0.8758 -0.8758 1.1015 1.1015 5.8944 5.8944 6.0272 6.0272 6.1297 6.1297 6.2127 6.2127 6.3120 6.3120 6.4154 6.4154 6.8158 6.8158 6.8665 6.8665 7.0586 7.0586 7.1416 7.1416 13.0964 13.0964 17.7552 17.7552 21.3802 21.3802 23.5024 23.5024 k = 0.0000 0.0000 0.2060 ( 1171 PWs) bands (ev): -0.8180 -0.8180 1.0209 1.0209 5.8792 5.8792 6.0138 6.0138 6.1292 6.1292 6.2072 6.2072 6.3102 6.3102 6.4074 6.4074 6.8288 6.8288 6.8793 6.8793 7.0543 7.0543 7.1350 7.1350 13.3007 13.3007 17.6451 17.6451 21.3953 21.3953 23.3206 23.3206 k = 0.0000 0.0000 0.2149 ( 1183 PWs) bands (ev): -0.7581 -0.7581 0.9391 0.9391 5.8666 5.8666 6.0002 6.0002 6.1289 6.1289 6.2016 6.2016 6.3089 6.3089 6.3995 6.3995 6.8413 6.8413 6.8918 6.8918 7.0494 7.0494 7.1278 7.1278 13.5066 13.5066 17.5272 17.5272 21.4128 21.4128 23.1479 23.1479 k = 0.0000 0.0000 0.2239 ( 1189 PWs) bands (ev): -0.6960 -0.6960 0.8564 0.8564 5.8565 5.8565 5.9862 5.9862 6.1291 6.1291 6.1961 6.1961 6.3080 6.3080 6.3917 6.3917 6.8540 6.8540 6.9045 6.9045 7.0442 7.0442 7.1204 7.1204 13.7137 13.7137 17.4016 17.4016 21.4331 21.4331 22.9844 22.9844 k = 0.0000 0.0000 0.2328 ( 1189 PWs) bands (ev): -0.6319 -0.6319 0.7730 0.7730 5.8489 5.8489 5.9726 5.9726 6.1295 6.1295 6.1907 6.1907 6.3078 6.3078 6.3841 6.3841 6.8666 6.8666 6.9173 6.9173 7.0385 7.0385 7.1126 7.1126 13.9217 13.9217 17.2683 17.2683 21.4564 21.4564 22.8305 22.8305 k = 0.0000 0.0000 0.2418 ( 1189 PWs) bands (ev): -0.5657 -0.5657 0.6891 0.6891 5.8435 5.8435 5.9591 5.9591 6.1304 6.1304 6.1853 6.1853 6.3081 6.3081 6.3768 6.3768 6.8790 6.8790 6.9301 6.9301 7.0325 7.0325 7.1044 7.1044 14.1301 14.1301 17.1274 17.1274 21.4831 21.4831 22.6863 22.6863 k = 0.0000 0.0000 0.2508 ( 1195 PWs) bands (ev): -0.4976 -0.4976 0.6051 0.6051 5.8404 5.8404 5.9457 5.9457 6.1315 6.1315 6.1801 6.1801 6.3088 6.3088 6.3696 6.3696 6.8910 6.8910 6.9425 6.9425 7.0259 7.0259 7.0959 7.0959 14.3385 14.3385 16.9788 16.9788 21.5134 21.5134 22.5516 22.5516 k = 0.0000 0.0000 0.2597 ( 1194 PWs) bands (ev): -0.4276 -0.4276 0.5210 0.5210 5.8393 5.8393 5.9327 5.9327 6.1330 6.1330 6.1750 6.1750 6.3101 6.3101 6.3627 6.3627 6.9029 6.9029 6.9551 6.9551 7.0190 7.0190 7.0870 7.0870 14.5465 14.5465 16.8231 16.8231 21.5478 21.5478 22.4265 22.4265 k = 0.0000 0.0000 0.2687 ( 1194 PWs) bands (ev): -0.3558 -0.3558 0.4371 0.4371 5.8400 5.8400 5.9201 5.9201 6.1348 6.1348 6.1701 6.1702 6.3120 6.3120 6.3562 6.3562 6.9145 6.9145 6.9675 6.9675 7.0116 7.0116 7.0777 7.0777 14.7535 14.7535 16.6603 16.6603 21.5866 21.5866 22.3108 22.3108 k = 0.0000 0.0000 0.2776 ( 1194 PWs) bands (ev): -0.2823 -0.2823 0.3536 0.3536 5.8424 5.8424 5.9080 5.9080 6.1370 6.1370 6.1655 6.1655 6.3144 6.3144 6.3499 6.3499 6.9259 6.9259 6.9797 6.9797 7.0037 7.0037 7.0681 7.0681 14.9591 14.9591 16.4910 16.4910 21.6301 21.6301 22.2041 22.2041 k = 0.0000 0.0000 0.2866 ( 1194 PWs) bands (ev): -0.2072 -0.2072 0.2706 0.2706 5.8464 5.8464 5.8965 5.8965 6.1396 6.1396 6.1610 6.1610 6.3172 6.3172 6.3440 6.3440 6.9369 6.9369 6.9917 6.9917 6.9954 6.9954 7.0581 7.0581 15.1628 15.1628 16.3156 16.3156 21.6789 21.6789 22.1062 22.1062 k = 0.0000 0.0000 0.2955 ( 1194 PWs) bands (ev): -0.1307 -0.1307 0.1883 0.1883 5.8519 5.8519 5.8857 5.8857 6.1424 6.1424 6.1567 6.1567 6.3206 6.3206 6.3385 6.3385 6.9476 6.9476 6.9866 6.9866 7.0034 7.0034 7.0478 7.0478 15.3642 15.3642 16.1345 16.1345 21.7333 21.7333 22.0167 22.0167 k = 0.0000 0.0000 0.3045 ( 1194 PWs) bands (ev): -0.0527 -0.0527 0.1069 0.1069 5.8587 5.8587 5.8757 5.8757 6.1455 6.1455 6.1527 6.1527 6.3244 6.3244 6.3334 6.3334 6.9580 6.9580 6.9775 6.9775 7.0149 7.0149 7.0371 7.0371 15.5625 15.5625 15.9482 15.9482 21.7939 21.7939 21.9351 21.9351 k = 0.0000 0.0000 0.3134 ( 1194 PWs) bands (ev): 0.0265 0.0265 0.0266 0.0266 5.8666 5.8666 5.8666 5.8666 6.1490 6.1490 6.1490 6.1490 6.3287 6.3287 6.3287 6.3287 6.9679 6.9679 6.9679 6.9679 7.0262 7.0262 7.0262 7.0262 15.7574 15.7574 15.7574 15.7574 21.8609 21.8609 21.8610 21.8610 k = 0.0000 0.0000 0.3134 ( 1194 PWs) bands (ev): 0.0265 0.0265 0.0266 0.0266 5.8666 5.8666 5.8666 5.8666 6.1490 6.1490 6.1490 6.1490 6.3287 6.3287 6.3287 6.3287 6.9679 6.9679 6.9679 6.9679 7.0262 7.0262 7.0262 7.0262 15.7574 15.7574 15.7574 15.7574 21.8609 21.8609 21.8610 21.8610 k = 0.0079 0.0046 0.3134 ( 1194 PWs) bands (ev): 0.0278 0.0278 0.0278 0.0279 5.8644 5.8644 5.8681 5.8681 6.1491 6.1491 6.1491 6.1491 6.3273 6.3273 6.3303 6.3303 6.9675 6.9675 6.9684 6.9684 7.0263 7.0263 7.0263 7.0263 15.7578 15.7578 15.7582 15.7582 21.8540 21.8540 21.8555 21.8555 k = 0.0159 0.0092 0.3134 ( 1194 PWs) bands (ev): 0.0315 0.0315 0.0317 0.0317 5.8613 5.8613 5.8686 5.8686 6.1496 6.1496 6.1496 6.1496 6.3263 6.3263 6.3321 6.3321 6.9672 6.9672 6.9690 6.9690 7.0266 7.0266 7.0266 7.0266 15.7595 15.7595 15.7602 15.7602 21.8347 21.8347 21.8376 21.8376 k = 0.0238 0.0137 0.3134 ( 1194 PWs) bands (ev): 0.0378 0.0378 0.0380 0.0380 5.8574 5.8574 5.8683 5.8683 6.1503 6.1503 6.1503 6.1503 6.3256 6.3256 6.3341 6.3341 6.9671 6.9671 6.9698 6.9698 7.0271 7.0271 7.0272 7.0272 15.7625 15.7625 15.7635 15.7635 21.8029 21.8030 21.8074 21.8074 k = 0.0317 0.0183 0.3134 ( 1194 PWs) bands (ev): 0.0465 0.0465 0.0469 0.0469 5.8528 5.8528 5.8671 5.8671 6.1512 6.1512 6.1514 6.1514 6.3252 6.3252 6.3364 6.3364 6.9670 6.9670 6.9706 6.9706 7.0279 7.0279 7.0281 7.0281 15.7665 15.7665 15.7680 15.7680 21.7589 21.7589 21.7649 21.7649 k = 0.0397 0.0229 0.3134 ( 1194 PWs) bands (ev): 0.0578 0.0578 0.0582 0.0582 5.8474 5.8474 5.8650 5.8650 6.1524 6.1524 6.1526 6.1526 6.3252 6.3252 6.3388 6.3388 6.9671 6.9671 6.9714 6.9714 7.0289 7.0289 7.0293 7.0293 15.7717 15.7717 15.7735 15.7735 21.7026 21.7026 21.7100 21.7101 k = 0.0476 0.0275 0.3134 ( 1192 PWs) bands (ev): 0.0715 0.0716 0.0720 0.0721 5.8413 5.8413 5.8621 5.8621 6.1537 6.1537 6.1541 6.1541 6.3258 6.3258 6.3415 6.3415 6.9672 6.9672 6.9723 6.9723 7.0302 7.0302 7.0308 7.0308 15.7780 15.7780 15.7802 15.7802 21.6341 21.6341 21.6431 21.6431 k = 0.0556 0.0321 0.3134 ( 1192 PWs) bands (ev): 0.0878 0.0878 0.0884 0.0884 5.8346 5.8346 5.8583 5.8583 6.1551 6.1551 6.1558 6.1558 6.3268 6.3268 6.3444 6.3444 6.9674 6.9674 6.9731 6.9731 7.0318 7.0318 7.0327 7.0327 15.7851 15.7851 15.7877 15.7877 21.5536 21.5536 21.5642 21.5642 k = 0.0635 0.0367 0.3134 ( 1192 PWs) bands (ev): 0.1065 0.1065 0.1071 0.1071 5.8272 5.8272 5.8536 5.8536 6.1565 6.1565 6.1575 6.1575 6.3285 6.3285 6.3476 6.3476 6.9676 6.9676 6.9739 6.9739 7.0336 7.0336 7.0350 7.0350 15.7930 15.7930 15.7960 15.7960 21.4615 21.4615 21.4735 21.4735 k = 0.0714 0.0412 0.3134 ( 1192 PWs) bands (ev): 0.1276 0.1276 0.1283 0.1283 5.8192 5.8192 5.8482 5.8482 6.1579 6.1579 6.1592 6.1592 6.3308 6.3308 6.3510 6.3510 6.9678 6.9678 6.9747 6.9747 7.0358 7.0358 7.0377 7.0377 15.8015 15.8015 15.8049 15.8049 21.3579 21.3579 21.3716 21.3716 k = 0.0794 0.0458 0.3134 ( 1190 PWs) bands (ev): 0.1512 0.1512 0.1520 0.1520 5.8107 5.8108 5.8420 5.8420 6.1592 6.1592 6.1611 6.1611 6.3338 6.3338 6.3549 6.3549 6.9680 6.9680 6.9753 6.9753 7.0383 7.0383 7.0409 7.0409 15.8104 15.8104 15.8143 15.8143 21.2435 21.2435 21.2588 21.2588 k = 0.0873 0.0504 0.3134 ( 1184 PWs) bands (ev): 0.1771 0.1771 0.1780 0.1780 5.8018 5.8018 5.8350 5.8350 6.1604 6.1604 6.1627 6.1627 6.3376 6.3376 6.3592 6.3592 6.9683 6.9683 6.9760 6.9760 7.0414 7.0414 7.0448 7.0448 15.8195 15.8195 15.8240 15.8240 21.1189 21.1189 21.1358 21.1358 k = 0.0952 0.0550 0.3134 ( 1184 PWs) bands (ev): 0.2054 0.2055 0.2064 0.2064 5.7923 5.7923 5.8273 5.8273 6.1614 6.1614 6.1642 6.1642 6.3421 6.3421 6.3638 6.3638 6.9685 6.9685 6.9764 6.9764 7.0448 7.0448 7.0490 7.0490 15.8285 15.8285 15.8335 15.8335 20.9850 20.9850 21.0034 21.0034 k = 0.1032 0.0596 0.3134 ( 1186 PWs) bands (ev): 0.2361 0.2361 0.2371 0.2371 5.7823 5.7823 5.8189 5.8189 6.1621 6.1621 6.1655 6.1655 6.3473 6.3473 6.3690 6.3690 6.9686 6.9686 6.9768 6.9768 7.0484 7.0484 7.0536 7.0536 15.8370 15.8370 15.8426 15.8426 20.8426 20.8426 20.8626 20.8626 k = 0.1111 0.0642 0.3134 ( 1186 PWs) bands (ev): 0.2691 0.2691 0.2701 0.2701 5.7719 5.7719 5.8097 5.8097 6.1627 6.1627 6.1666 6.1666 6.3534 6.3534 6.3746 6.3746 6.9687 6.9687 6.9770 6.9770 7.0525 7.0525 7.0588 7.0588 15.8447 15.8447 15.8509 15.8509 20.6929 20.6929 20.7146 20.7146 k = 0.1190 0.0687 0.3134 ( 1190 PWs) bands (ev): 0.3042 0.3043 0.3054 0.3054 5.7611 5.7611 5.7999 5.8000 6.1630 6.1630 6.1673 6.1673 6.3602 6.3602 6.3808 6.3808 6.9688 6.9688 6.9772 6.9772 7.0570 7.0570 7.0645 7.0645 15.8511 15.8511 15.8579 15.8579 20.5373 20.5373 20.5606 20.5606 k = 0.1270 0.0733 0.3134 ( 1186 PWs) bands (ev): 0.3417 0.3417 0.3428 0.3429 5.7501 5.7501 5.7896 5.7896 6.1632 6.1632 6.1679 6.1679 6.3678 6.3678 6.3877 6.3877 6.9690 6.9690 6.9775 6.9775 7.0620 7.0620 7.0707 7.0707 15.8558 15.8558 15.8632 15.8632 20.3771 20.3771 20.4020 20.4021 k = 0.1349 0.0779 0.3134 ( 1182 PWs) bands (ev): 0.3813 0.3813 0.3825 0.3825 5.7387 5.7387 5.7788 5.7788 6.1633 6.1633 6.1681 6.1682 6.3762 6.3762 6.3951 6.3951 6.9691 6.9691 6.9777 6.9777 7.0673 7.0673 7.0773 7.0773 15.8579 15.8579 15.8661 15.8661 20.2140 20.2140 20.2405 20.2405 k = 0.1429 0.0825 0.3134 ( 1180 PWs) bands (ev): 0.4231 0.4231 0.4243 0.4243 5.7270 5.7270 5.7674 5.7674 6.1633 6.1633 6.1681 6.1681 6.3852 6.3852 6.4032 6.4032 6.9692 6.9692 6.9779 6.9779 7.0731 7.0731 7.0843 7.0843 15.8569 15.8569 15.8658 15.8658 20.0494 20.0494 20.0775 20.0775 k = 0.1508 0.0871 0.3134 ( 1180 PWs) bands (ev): 0.4669 0.4669 0.4682 0.4682 5.7150 5.7150 5.7555 5.7555 6.1631 6.1631 6.1678 6.1678 6.3949 6.3949 6.4117 6.4117 6.9694 6.9694 6.9781 6.9781 7.0791 7.0791 7.0916 7.0916 15.8519 15.8519 15.8616 15.8616 19.8852 19.8852 19.9148 19.9149 k = 0.1587 0.0916 0.3134 ( 1176 PWs) bands (ev): 0.5128 0.5128 0.5141 0.5141 5.7028 5.7028 5.7432 5.7432 6.1630 6.1630 6.1674 6.1674 6.4052 6.4052 6.4209 6.4209 6.9696 6.9696 6.9785 6.9785 7.0855 7.0855 7.0993 7.0993 15.8420 15.8420 15.8524 15.8524 19.7232 19.7232 19.7543 19.7543 k = 0.1667 0.0962 0.3134 ( 1176 PWs) bands (ev): 0.5606 0.5606 0.5619 0.5619 5.6904 5.6904 5.7305 5.7305 6.1630 6.1630 6.1668 6.1668 6.4159 6.4159 6.4306 6.4306 6.9699 6.9699 6.9788 6.9788 7.0922 7.0922 7.1074 7.1074 15.8260 15.8260 15.8372 15.8372 19.5652 19.5652 19.5977 19.5977 k = 0.1746 0.1008 0.3134 ( 1176 PWs) bands (ev): 0.6103 0.6103 0.6116 0.6117 5.6778 5.6778 5.7174 5.7174 6.1631 6.1631 6.1661 6.1661 6.4270 6.4270 6.4406 6.4406 6.9704 6.9704 6.9794 6.9794 7.0991 7.0991 7.1156 7.1156 15.8028 15.8028 15.8147 15.8147 19.4131 19.4131 19.4470 19.4470 k = 0.1825 0.1054 0.3134 ( 1180 PWs) bands (ev): 0.6618 0.6618 0.6631 0.6632 5.6650 5.6650 5.7039 5.7039 6.1634 6.1634 6.1653 6.1653 6.4384 6.4384 6.4510 6.4510 6.9710 6.9710 6.9801 6.9801 7.1063 7.1063 7.1241 7.1241 15.7712 15.7712 15.7838 15.7838 19.2688 19.2688 19.3039 19.3039 k = 0.1905 0.1100 0.3134 ( 1178 PWs) bands (ev): 0.7151 0.7151 0.7164 0.7164 5.6522 5.6522 5.6903 5.6903 6.1640 6.1640 6.1647 6.1647 6.4502 6.4502 6.4617 6.4617 6.9718 6.9718 6.9810 6.9810 7.1138 7.1138 7.1330 7.1330 15.7301 15.7301 15.7432 15.7432 19.1342 19.1342 19.1704 19.1704 k = 0.1984 0.1146 0.3134 ( 1174 PWs) bands (ev): 0.7700 0.7700 0.7713 0.7713 5.6393 5.6393 5.6764 5.6764 6.1642 6.1642 6.1650 6.1650 6.4623 6.4623 6.4728 6.4728 6.9729 6.9729 6.9823 6.9823 7.1215 7.1215 7.1420 7.1420 15.6782 15.6782 15.6917 15.6917 19.0110 19.0110 19.0481 19.0481 k = 0.2063 0.1191 0.3134 ( 1178 PWs) bands (ev): 0.8265 0.8265 0.8278 0.8278 5.6262 5.6262 5.6623 5.6623 6.1639 6.1639 6.1662 6.1662 6.4744 6.4744 6.4839 6.4839 6.9743 6.9743 6.9838 6.9838 7.1294 7.1294 7.1511 7.1511 15.6145 15.6145 15.6283 15.6283 18.9007 18.9007 18.9385 18.9385 k = 0.2143 0.1237 0.3134 ( 1178 PWs) bands (ev): 0.8844 0.8845 0.8857 0.8857 5.6132 5.6132 5.6480 5.6480 6.1639 6.1639 6.1681 6.1681 6.4866 6.4866 6.4952 6.4952 6.9760 6.9760 6.9857 6.9857 7.1375 7.1375 7.1605 7.1605 15.5383 15.5383 15.5522 15.5522 18.8045 18.8045 18.8427 18.8427 k = 0.2222 0.1283 0.3134 ( 1178 PWs) bands (ev): 0.9438 0.9438 0.9450 0.9450 5.6002 5.6002 5.6337 5.6337 6.1644 6.1644 6.1705 6.1705 6.4988 6.4988 6.5065 6.5065 6.9780 6.9780 6.9879 6.9879 7.1458 7.1458 7.1701 7.1701 15.4494 15.4494 15.4630 15.4630 18.7230 18.7230 18.7614 18.7614 k = 0.2302 0.1329 0.3134 ( 1178 PWs) bands (ev): 1.0043 1.0044 1.0055 1.0056 5.5872 5.5872 5.6193 5.6193 6.1654 6.1654 6.1735 6.1735 6.5109 6.5109 6.5178 6.5178 6.9804 6.9804 6.9905 6.9905 7.1542 7.1542 7.1798 7.1798 15.3476 15.3476 15.3608 15.3608 18.6567 18.6567 18.6950 18.6950 k = 0.2381 0.1375 0.3134 ( 1174 PWs) bands (ev): 1.0661 1.0661 1.0672 1.0672 5.5743 5.5743 5.6050 5.6050 6.1669 6.1669 6.1771 6.1772 6.5229 6.5229 6.5290 6.5290 6.9834 6.9834 6.9937 6.9937 7.1629 7.1629 7.1897 7.1897 15.2334 15.2334 15.2461 15.2461 18.6053 18.6053 18.6432 18.6432 k = 0.2460 0.1420 0.3134 ( 1178 PWs) bands (ev): 1.1288 1.1288 1.1299 1.1299 5.5614 5.5614 5.5906 5.5906 6.1690 6.1690 6.1815 6.1815 6.5345 6.5345 6.5398 6.5398 6.9867 6.9867 6.9972 6.9972 7.1715 7.1715 7.1995 7.1995 15.1077 15.1077 15.1196 15.1196 18.5682 18.5682 18.6056 18.6056 k = 0.2540 0.1466 0.3134 ( 1178 PWs) bands (ev): 1.1924 1.1924 1.1934 1.1934 5.5487 5.5487 5.5764 5.5764 6.1719 6.1719 6.1868 6.1868 6.5459 6.5459 6.5505 6.5505 6.9904 6.9904 7.0012 7.0012 7.1804 7.1804 7.2096 7.2096 14.9715 14.9715 14.9825 14.9825 18.5445 18.5445 18.5813 18.5813 k = 0.2619 0.1512 0.3134 ( 1180 PWs) bands (ev): 1.2568 1.2568 1.2577 1.2577 5.5362 5.5362 5.5623 5.5623 6.1755 6.1755 6.1928 6.1928 6.5568 6.5568 6.5607 6.5607 6.9947 6.9947 7.0056 7.0056 7.1895 7.1895 7.2199 7.2199 14.8259 14.8259 14.8360 14.8360 18.5331 18.5331 18.5692 18.5692 k = 0.2698 0.1558 0.3134 ( 1176 PWs) bands (ev): 1.3217 1.3217 1.3226 1.3226 5.5238 5.5238 5.5483 5.5483 6.1800 6.1800 6.1997 6.1997 6.5674 6.5674 6.5707 6.5707 6.9997 6.9997 7.0108 7.0109 7.1987 7.1987 7.2303 7.2303 14.6725 14.6725 14.6817 14.6817 18.5329 18.5329 18.5681 18.5681 k = 0.2778 0.1604 0.3134 ( 1180 PWs) bands (ev): 1.3870 1.3871 1.3878 1.3879 5.5117 5.5117 5.5346 5.5346 6.1855 6.1855 6.2076 6.2076 6.5775 6.5775 6.5802 6.5802 7.0049 7.0049 7.0162 7.0162 7.2079 7.2079 7.2407 7.2407 14.5125 14.5125 14.5207 14.5207 18.5425 18.5425 18.5769 18.5769 k = 0.2857 0.1650 0.3134 ( 1180 PWs) bands (ev): 1.4527 1.4527 1.4534 1.4534 5.5000 5.5000 5.5213 5.5213 6.1920 6.1920 6.2166 6.2166 6.5872 6.5872 6.5893 6.5893 7.0108 7.0108 7.0223 7.0223 7.2173 7.2173 7.2512 7.2512 14.3472 14.3472 14.3545 14.3545 18.5608 18.5608 18.5943 18.5943 k = 0.2937 0.1695 0.3134 ( 1180 PWs) bands (ev): 1.5184 1.5184 1.5190 1.5190 5.4885 5.4885 5.5082 5.5082 6.1995 6.1995 6.2265 6.2266 6.5963 6.5963 6.5979 6.5979 7.0171 7.0171 7.0288 7.0288 7.2269 7.2269 7.2619 7.2619 14.1779 14.1779 14.1843 14.1843 18.5866 18.5866 18.6192 18.6192 k = 0.3016 0.1741 0.3134 ( 1180 PWs) bands (ev): 1.5840 1.5840 1.5845 1.5845 5.4774 5.4774 5.4955 5.4955 6.2082 6.2082 6.2376 6.2376 6.6048 6.6048 6.6059 6.6059 7.0240 7.0240 7.0358 7.0358 7.2365 7.2366 7.2726 7.2726 14.0056 14.0056 14.0112 14.0112 18.6189 18.6189 18.6506 18.6506 k = 0.3095 0.1787 0.3134 ( 1180 PWs) bands (ev): 1.6494 1.6494 1.6498 1.6498 5.4666 5.4666 5.4832 5.4832 6.2180 6.2180 6.2497 6.2497 6.6128 6.6128 6.6135 6.6135 7.0313 7.0313 7.0433 7.0433 7.2464 7.2464 7.2835 7.2835 13.8313 13.8313 13.8362 13.8362 18.6566 18.6566 18.6875 18.6875 k = 0.3175 0.1833 0.3134 ( 1182 PWs) bands (ev): 1.7142 1.7142 1.7145 1.7145 5.4562 5.4562 5.4713 5.4713 6.2289 6.2289 6.2629 6.2629 6.6203 6.6203 6.6205 6.6205 7.0391 7.0391 7.0511 7.0511 7.2564 7.2564 7.2946 7.2946 13.6561 13.6561 13.6603 13.6603 18.6990 18.6990 18.7290 18.7290 k = 0.3254 0.1879 0.3134 ( 1186 PWs) bands (ev): 1.7783 1.7783 1.7785 1.7785 5.4462 5.4462 5.4599 5.4599 6.2410 6.2410 6.2771 6.2771 6.6270 6.6270 6.6272 6.6272 7.0471 7.0471 7.0592 7.0592 7.2666 7.2666 7.3057 7.3057 13.4807 13.4807 13.4844 13.4844 18.7451 18.7451 18.7744 18.7744 k = 0.3333 0.1925 0.3134 ( 1182 PWs) bands (ev): 1.8416 1.8416 1.8417 1.8417 5.4367 5.4367 5.4490 5.4490 6.2544 6.2544 6.2925 6.2925 6.6332 6.6332 6.6338 6.6338 7.0555 7.0555 7.0677 7.0677 7.2772 7.2772 7.3171 7.3171 13.3060 13.3060 13.3091 13.3091 18.7944 18.7944 18.8229 18.8229 k = 0.3413 0.1970 0.3134 ( 1190 PWs) bands (ev): 1.9037 1.9037 1.9037 1.9037 5.4276 5.4276 5.4385 5.4385 6.2688 6.2688 6.3087 6.3087 6.6387 6.6387 6.6397 6.6397 7.0641 7.0641 7.0762 7.0762 7.2879 7.2879 7.3287 7.3287 13.1325 13.1325 13.1352 13.1353 18.8460 18.8460 18.8737 18.8737 k = 0.3492 0.2016 0.3134 ( 1186 PWs) bands (ev): 1.9644 1.9644 1.9645 1.9645 5.4191 5.4191 5.4287 5.4287 6.2845 6.2845 6.3260 6.3260 6.6440 6.6440 6.6455 6.6455 7.0729 7.0729 7.0850 7.0850 7.2990 7.2990 7.3405 7.3405 12.9611 12.9612 12.9635 12.9635 18.8994 18.8994 18.9262 18.9262 k = 0.3571 0.2062 0.3134 ( 1186 PWs) bands (ev): 2.0235 2.0235 2.0237 2.0237 5.4109 5.4109 5.4194 5.4194 6.3012 6.3012 6.3440 6.3440 6.6490 6.6490 6.6509 6.6509 7.0819 7.0819 7.0939 7.0939 7.3104 7.3104 7.3525 7.3525 12.7924 12.7924 12.7945 12.7945 18.9538 18.9538 18.9799 18.9799 k = 0.3651 0.2108 0.3134 ( 1186 PWs) bands (ev): 2.0808 2.0808 2.0811 2.0811 5.4033 5.4033 5.4106 5.4106 6.3188 6.3188 6.3627 6.3627 6.6538 6.6538 6.6561 6.6561 7.0909 7.0909 7.1028 7.1028 7.3221 7.3221 7.3647 7.3647 12.6270 12.6270 12.6288 12.6288 19.0089 19.0089 19.0341 19.0341 k = 0.3730 0.2154 0.3134 ( 1186 PWs) bands (ev): 2.1362 2.1362 2.1365 2.1366 5.3961 5.3961 5.4024 5.4024 6.3373 6.3373 6.3818 6.3818 6.6583 6.6583 6.6611 6.6612 7.0998 7.0998 7.1116 7.1116 7.3343 7.3343 7.3771 7.3771 12.4654 12.4654 12.4670 12.4670 19.0639 19.0639 19.0882 19.0882 k = 0.3810 0.2199 0.3134 ( 1186 PWs) bands (ev): 2.1893 2.1893 2.1898 2.1898 5.3894 5.3894 5.3948 5.3948 6.3565 6.3565 6.4012 6.4012 6.6627 6.6627 6.6661 6.6661 7.1087 7.1087 7.1202 7.1202 7.3469 7.3469 7.3898 7.3898 12.3083 12.3083 12.3098 12.3098 19.1184 19.1184 19.1418 19.1418 k = 0.3889 0.2245 0.3134 ( 1186 PWs) bands (ev): 2.2400 2.2401 2.2405 2.2406 5.3832 5.3832 5.3877 5.3877 6.3761 6.3761 6.4206 6.4206 6.6670 6.6670 6.6712 6.6712 7.1174 7.1174 7.1286 7.1286 7.3599 7.3599 7.4027 7.4027 12.1563 12.1563 12.1577 12.1577 19.1719 19.1719 19.1943 19.1943 k = 0.3968 0.2291 0.3134 ( 1190 PWs) bands (ev): 2.2882 2.2882 2.2887 2.2887 5.3775 5.3775 5.3812 5.3812 6.3960 6.3960 6.4396 6.4397 6.6714 6.6714 6.6763 6.6763 7.1258 7.1258 7.1367 7.1367 7.3733 7.3733 7.4157 7.4157 12.0101 12.0101 12.0114 12.0114 19.2238 19.2238 19.2452 19.2452 k = 0.4048 0.2337 0.3134 ( 1190 PWs) bands (ev): 2.3335 2.3335 2.3341 2.3341 5.3723 5.3723 5.3752 5.3752 6.4158 6.4158 6.4581 6.4581 6.6758 6.6758 6.6816 6.6816 7.1340 7.1340 7.1445 7.1445 7.3872 7.3872 7.4289 7.4289 11.8703 11.8703 11.8716 11.8716 19.2738 19.2738 19.2941 19.2941 k = 0.4127 0.2383 0.3134 ( 1186 PWs) bands (ev): 2.3758 2.3759 2.3764 2.3765 5.3675 5.3675 5.3699 5.3699 6.4353 6.4353 6.4756 6.4756 6.6805 6.6805 6.6873 6.6873 7.1419 7.1419 7.1518 7.1518 7.4017 7.4017 7.4423 7.4423 11.7375 11.7375 11.7388 11.7388 19.3213 19.3213 19.3404 19.3404 k = 0.4206 0.2429 0.3134 ( 1186 PWs) bands (ev): 2.4150 2.4151 2.4157 2.4157 5.3632 5.3632 5.3651 5.3651 6.4541 6.4541 6.4919 6.4919 6.6854 6.6854 6.6931 6.6932 7.1493 7.1493 7.1587 7.1587 7.4163 7.4163 7.4555 7.4555 11.6125 11.6125 11.6138 11.6138 19.3661 19.3661 19.3839 19.3839 k = 0.4286 0.2474 0.3134 ( 1182 PWs) bands (ev): 2.4510 2.4510 2.4516 2.4516 5.3594 5.3594 5.3608 5.3608 6.4720 6.4720 6.5066 6.5066 6.6906 6.6906 6.6994 6.6994 7.1564 7.1564 7.1651 7.1651 7.4312 7.4312 7.4684 7.4684 11.4961 11.4961 11.4973 11.4974 19.4077 19.4077 19.4242 19.4242 k = 0.4365 0.2520 0.3134 ( 1182 PWs) bands (ev): 2.4835 2.4835 2.4840 2.4840 5.3560 5.3560 5.3570 5.3570 6.4885 6.4885 6.5195 6.5195 6.6960 6.6960 6.7056 6.7056 7.1629 7.1629 7.1708 7.1708 7.4462 7.4462 7.4809 7.4809 11.3889 11.3889 11.3902 11.3902 19.4458 19.4458 19.4608 19.4608 k = 0.4444 0.2566 0.3134 ( 1182 PWs) bands (ev): 2.5124 2.5124 2.5129 2.5130 5.3530 5.3530 5.3537 5.3537 6.5035 6.5035 6.5305 6.5305 6.7017 6.7017 6.7119 6.7119 7.1688 7.1688 7.1759 7.1759 7.4609 7.4609 7.4927 7.4927 11.2918 11.2918 11.2930 11.2930 19.4801 19.4801 19.4936 19.4936 k = 0.4524 0.2612 0.3134 ( 1186 PWs) bands (ev): 2.5377 2.5377 2.5382 2.5382 5.3503 5.3503 5.3508 5.3508 6.5167 6.5167 6.5396 6.5396 6.7076 6.7076 6.7178 6.7178 7.1741 7.1741 7.1803 7.1803 7.4751 7.4751 7.5035 7.5035 11.2056 11.2056 11.2067 11.2067 19.5104 19.5104 19.5222 19.5222 k = 0.4603 0.2658 0.3134 ( 1186 PWs) bands (ev): 2.5593 2.5593 2.5597 2.5597 5.3482 5.3482 5.3485 5.3485 6.5281 6.5281 6.5468 6.5468 6.7134 6.7134 6.7232 6.7232 7.1787 7.1787 7.1840 7.1840 7.4884 7.4884 7.5130 7.5130 11.1310 11.1310 11.1320 11.1320 19.5365 19.5365 19.5465 19.5465 k = 0.4683 0.2703 0.3134 ( 1178 PWs) bands (ev): 2.5772 2.5772 2.5775 2.5775 5.3465 5.3465 5.3467 5.3467 6.5376 6.5376 6.5523 6.5523 6.7190 6.7190 6.7278 6.7278 7.1829 7.1829 7.1872 7.1872 7.5008 7.5008 7.5210 7.5210 11.0689 11.0689 11.0698 11.0698 19.5583 19.5583 19.5665 19.5665 k = 0.4762 0.2749 0.3134 ( 1182 PWs) bands (ev): 2.5910 2.5910 2.5913 2.5913 5.3451 5.3451 5.3452 5.3452 6.5452 6.5452 6.5560 6.5560 6.7241 6.7241 6.7313 6.7313 7.1861 7.1861 7.1894 7.1894 7.5113 7.5113 7.5268 7.5268 11.0197 11.0197 11.0204 11.0204 19.5756 19.5756 19.5818 19.5818 k = 0.4841 0.2795 0.3134 ( 1180 PWs) bands (ev): 2.6010 2.6010 2.6011 2.6012 5.3442 5.3442 5.3442 5.3442 6.5510 6.5510 6.5581 6.5581 6.7284 6.7284 6.7335 6.7336 7.1886 7.1886 7.1908 7.1908 7.5200 7.5200 7.5305 7.5305 10.9843 10.9843 10.9848 10.9848 19.5883 19.5883 19.5925 19.5925 k = 0.4921 0.2841 0.3134 ( 1180 PWs) bands (ev): 2.6070 2.6070 2.6071 2.6071 5.3436 5.3436 5.3436 5.3436 6.5552 6.5552 6.5587 6.5587 6.7317 6.7317 6.7344 6.7344 7.1904 7.1904 7.1915 7.1915 7.5264 7.5264 7.5317 7.5317 10.9628 10.9628 10.9631 10.9631 19.5963 19.5963 19.5985 19.5985 k = 0.5000 0.2887 0.3134 ( 1180 PWs) bands (ev): 2.6090 2.6090 2.6090 2.6090 5.3434 5.3434 5.3434 5.3434 6.5576 6.5576 6.5576 6.5576 6.7337 6.7337 6.7337 6.7337 7.1915 7.1915 7.1915 7.1915 7.5303 7.5303 7.5303 7.5303 10.9558 10.9558 10.9558 10.9558 19.5997 19.5997 19.5997 19.5997 k = 0.5000 0.2887 0.3134 ( 1180 PWs) bands (ev): 2.6090 2.6090 2.6090 2.6090 5.3434 5.3434 5.3434 5.3434 6.5576 6.5576 6.5576 6.5576 6.7337 6.7337 6.7337 6.7337 7.1915 7.1915 7.1915 7.1915 7.5303 7.5303 7.5303 7.5303 10.9558 10.9558 10.9558 10.9558 19.5997 19.5997 19.5997 19.5997 k = 0.4955 0.2965 0.3134 ( 1184 PWs) bands (ev): 2.6093 2.6093 2.6096 2.6096 5.3426 5.3426 5.3450 5.3450 6.5455 6.5455 6.5660 6.5660 6.7225 6.7225 6.7453 6.7453 7.1814 7.1814 7.2004 7.2004 7.5214 7.5214 7.5445 7.5446 10.9563 10.9563 10.9568 10.9568 19.5012 19.5012 19.5220 19.5220 k = 0.4910 0.3043 0.3134 ( 1180 PWs) bands (ev): 2.6106 2.6106 2.6110 2.6110 5.3427 5.3427 5.3475 5.3475 6.5305 6.5305 6.5697 6.5697 6.7131 6.7131 6.7567 6.7567 7.1714 7.1715 7.2080 7.2080 7.5186 7.5186 7.5636 7.5636 10.9584 10.9584 10.9595 10.9595 19.3172 19.3172 19.3452 19.3452 k = 0.4865 0.3121 0.3134 ( 1180 PWs) bands (ev): 2.6128 2.6128 2.6134 2.6134 5.3436 5.3436 5.3508 5.3508 6.5132 6.5132 6.5676 6.5676 6.7064 6.7064 6.7670 6.7670 7.1620 7.1620 7.2134 7.2134 7.5223 7.5223 7.5868 7.5868 10.9621 10.9621 10.9637 10.9637 19.1060 19.1060 19.1374 19.1374 k = 0.4820 0.3199 0.3134 ( 1180 PWs) bands (ev): 2.6158 2.6158 2.6166 2.6166 5.3454 5.3454 5.3549 5.3549 6.4940 6.4940 6.5598 6.5598 6.7028 6.7028 6.7758 6.7758 7.1535 7.1535 7.2163 7.2163 7.5327 7.5327 7.6136 7.6136 10.9674 10.9674 10.9695 10.9695 18.8825 18.8825 18.9163 18.9163 k = 0.4775 0.3277 0.3134 ( 1184 PWs) bands (ev): 2.6197 2.6197 2.6207 2.6207 5.3480 5.3480 5.3599 5.3599 6.4734 6.4734 6.5467 6.5467 6.7016 6.7016 6.7828 6.7828 7.1462 7.1462 7.2166 7.2166 7.5495 7.5495 7.6437 7.6437 10.9744 10.9744 10.9770 10.9770 18.6521 18.6521 18.6877 18.6877 k = 0.4730 0.3355 0.3134 ( 1180 PWs) bands (ev): 2.6245 2.6245 2.6257 2.6257 5.3515 5.3515 5.3657 5.3657 6.4518 6.4518 6.5299 6.5299 6.7022 6.7022 6.7881 6.7881 7.1402 7.1402 7.2149 7.2149 7.5723 7.5723 7.6768 7.6768 10.9830 10.9830 10.9861 10.9861 18.4173 18.4173 18.4543 18.4543 k = 0.4685 0.3433 0.3134 ( 1180 PWs) bands (ev): 2.6300 2.6300 2.6314 2.6314 5.3558 5.3558 5.3724 5.3724 6.4292 6.4292 6.5103 6.5103 6.7032 6.7032 6.7916 6.7916 7.1356 7.1356 7.2114 7.2114 7.6003 7.6003 7.7125 7.7125 10.9932 10.9932 10.9968 10.9968 18.1798 18.1798 18.2180 18.2180 k = 0.4640 0.3511 0.3134 ( 1184 PWs) bands (ev): 2.6363 2.6363 2.6379 2.6379 5.3609 5.3609 5.3798 5.3798 6.4060 6.4060 6.4888 6.4888 6.7040 6.7040 6.7935 6.7935 7.1322 7.1322 7.2067 7.2067 7.6327 7.6327 7.7505 7.7505 11.0051 11.0051 11.0091 11.0091 17.9407 17.9407 17.9799 17.9799 k = 0.4595 0.3589 0.3134 ( 1180 PWs) bands (ev): 2.6435 2.6435 2.6452 2.6453 5.3669 5.3669 5.3881 5.3881 6.3823 6.3823 6.4663 6.4663 6.7043 6.7043 6.7941 6.7941 7.1301 7.1301 7.2015 7.2015 7.6688 7.6688 7.7909 7.7909 11.0187 11.0187 11.0232 11.0232 17.7009 17.7009 17.7408 17.7408 k = 0.4550 0.3667 0.3134 ( 1180 PWs) bands (ev): 2.6513 2.6513 2.6533 2.6533 5.3736 5.3736 5.3971 5.3971 6.3583 6.3583 6.4429 6.4429 6.7035 6.7035 6.7935 6.7935 7.1288 7.1288 7.1957 7.1957 7.7081 7.7081 7.8332 7.8332 11.0341 11.0341 11.0391 11.0391 17.4610 17.4610 17.5016 17.5016 k = 0.4505 0.3745 0.3134 ( 1180 PWs) bands (ev): 2.6598 2.6598 2.6619 2.6619 5.3811 5.3811 5.4069 5.4069 6.3341 6.3341 6.4191 6.4191 6.7018 6.7018 6.7920 6.7920 7.1282 7.1282 7.1897 7.1897 7.7501 7.7501 7.8773 7.8773 11.0513 11.0513 11.0566 11.0566 17.2216 17.2216 17.2627 17.2627 k = 0.4459 0.3823 0.3134 ( 1184 PWs) bands (ev): 2.6689 2.6689 2.6712 2.6712 5.3894 5.3894 5.4174 5.4174 6.3097 6.3097 6.3951 6.3951 6.6988 6.6988 6.7899 6.7899 7.1281 7.1281 7.1837 7.1837 7.7943 7.7943 7.9230 7.9230 11.0702 11.0702 11.0760 11.0760 16.9832 16.9832 17.0247 17.0247 k = 0.4414 0.3901 0.3134 ( 1184 PWs) bands (ev): 2.6786 2.6786 2.6811 2.6811 5.3985 5.3985 5.4287 5.4287 6.2854 6.2854 6.3711 6.3711 6.6949 6.6949 6.7874 6.7874 7.1284 7.1284 7.1778 7.1778 7.8404 7.8404 7.9702 7.9702 11.0911 11.0911 11.0972 11.0972 16.7463 16.7463 16.7881 16.7881 k = 0.4369 0.3979 0.3134 ( 1184 PWs) bands (ev): 2.6888 2.6888 2.6915 2.6915 5.4083 5.4083 5.4407 5.4408 6.2613 6.2613 6.3471 6.3471 6.6901 6.6901 6.7847 6.7847 7.1290 7.1290 7.1720 7.1720 7.8882 7.8882 8.0186 8.0186 11.1139 11.1139 11.1204 11.1204 16.5111 16.5111 16.5531 16.5531 k = 0.4324 0.4057 0.3134 ( 1184 PWs) bands (ev): 2.6995 2.6995 2.7023 2.7023 5.4189 5.4189 5.4535 5.4535 6.2374 6.2374 6.3234 6.3234 6.6845 6.6845 6.7818 6.7818 7.1296 7.1296 7.1663 7.1663 7.9373 7.9373 8.0681 8.0681 11.1386 11.1386 11.1454 11.1454 16.2781 16.2781 16.3202 16.3202 k = 0.4279 0.4135 0.3134 ( 1188 PWs) bands (ev): 2.7105 2.7105 2.7134 2.7134 5.4301 5.4301 5.4667 5.4667 6.2136 6.2136 6.2998 6.2998 6.6783 6.6783 6.7789 6.7789 7.1302 7.1302 7.1609 7.1609 7.9874 7.9874 8.1184 8.1184 11.1654 11.1654 11.1725 11.1725 16.0474 16.0474 16.0897 16.0897 k = 0.4234 0.4213 0.3134 ( 1184 PWs) bands (ev): 2.7219 2.7219 2.7249 2.7249 5.4421 5.4421 5.4808 5.4808 6.1902 6.1902 6.2766 6.2766 6.6716 6.6716 6.7760 6.7760 7.1307 7.1307 7.1557 7.1557 8.0386 8.0386 8.1696 8.1696 11.1942 11.1942 11.2017 11.2017 15.8196 15.8196 15.8618 15.8618 k = 0.4189 0.4291 0.3134 ( 1184 PWs) bands (ev): 2.7335 2.7336 2.7367 2.7367 5.4548 5.4548 5.4954 5.4954 6.1671 6.1671 6.2537 6.2537 6.6647 6.6647 6.7733 6.7733 7.1310 7.1310 7.1506 7.1506 8.0902 8.0902 8.2212 8.2212 11.2252 11.2252 11.2330 11.2330 15.5947 15.5947 15.6369 15.6369 k = 0.4144 0.4369 0.3134 ( 1188 PWs) bands (ev): 2.7454 2.7454 2.7486 2.7486 5.4680 5.4680 5.5106 5.5106 6.1443 6.1443 6.2311 6.2311 6.6576 6.6576 6.7706 6.7706 7.1309 7.1309 7.1456 7.1456 8.1423 8.1423 8.2731 8.2731 11.2584 11.2584 11.2664 11.2664 15.3732 15.3732 15.4152 15.4152 k = 0.4099 0.4447 0.3134 ( 1186 PWs) bands (ev): 2.7574 2.7574 2.7607 2.7607 5.4819 5.4819 5.5263 5.5263 6.1219 6.1219 6.2089 6.2089 6.6506 6.6506 6.7683 6.7683 7.1304 7.1304 7.1410 7.1410 8.1946 8.1946 8.3251 8.3251 11.2938 11.2938 11.3021 11.3021 15.1553 15.1553 15.1971 15.1971 k = 0.4054 0.4525 0.3134 ( 1186 PWs) bands (ev): 2.7694 2.7694 2.7728 2.7728 5.4964 5.4964 5.5425 5.5425 6.0997 6.0997 6.1869 6.1869 6.6439 6.6439 6.7663 6.7663 7.1291 7.1291 7.1372 7.1372 8.2469 8.2469 8.3771 8.3771 11.3316 11.3316 11.3402 11.3402 14.9413 14.9413 14.9828 14.9828 k = 0.4009 0.4603 0.3134 ( 1186 PWs) bands (ev): 2.7813 2.7813 2.7848 2.7848 5.5115 5.5115 5.5591 5.5591 6.0779 6.0779 6.1653 6.1653 6.6373 6.6373 6.7645 6.7645 7.1265 7.1265 7.1345 7.1345 8.2990 8.2990 8.4288 8.4288 11.3718 11.3718 11.3806 11.3806 14.7314 14.7314 14.7726 14.7726 k = 0.3964 0.4681 0.3134 ( 1186 PWs) bands (ev): 2.7931 2.7931 2.7966 2.7966 5.5271 5.5271 5.5762 5.5762 6.0565 6.0565 6.1441 6.1441 6.6310 6.6310 6.7631 6.7631 7.1227 7.1227 7.1328 7.1328 8.3504 8.3504 8.4799 8.4799 11.4144 11.4144 11.4235 11.4235 14.5262 14.5262 14.5669 14.5669 k = 0.3919 0.4759 0.3134 ( 1190 PWs) bands (ev): 2.8046 2.8046 2.8082 2.8082 5.5431 5.5431 5.5936 5.5936 6.0352 6.0352 6.1230 6.1230 6.6252 6.6252 6.7619 6.7619 7.1184 7.1185 7.1314 7.1314 8.4011 8.4011 8.5301 8.5301 11.4595 11.4595 11.4690 11.4690 14.3258 14.3258 14.3660 14.3660 k = 0.3874 0.4837 0.3134 ( 1188 PWs) bands (ev): 2.8159 2.8159 2.8195 2.8195 5.5597 5.5597 5.6113 5.6113 6.0144 6.0144 6.1025 6.1025 6.6199 6.6199 6.7612 6.7612 7.1140 7.1140 7.1302 7.1302 8.4508 8.4508 8.5793 8.5793 11.5072 11.5072 11.5170 11.5170 14.1307 14.1307 14.1702 14.1702 k = 0.3829 0.4915 0.3134 ( 1188 PWs) bands (ev): 2.8269 2.8269 2.8305 2.8305 5.5767 5.5767 5.6293 5.6293 5.9938 5.9938 6.0821 6.0821 6.6151 6.6151 6.7610 6.7610 7.1095 7.1095 7.1289 7.1289 8.4990 8.4990 8.6271 8.6271 11.5574 11.5574 11.5677 11.5677 13.9413 13.9413 13.9801 13.9801 k = 0.3784 0.4993 0.3134 ( 1188 PWs) bands (ev): 2.8373 2.8373 2.8409 2.8409 5.5942 5.5942 5.6475 5.6475 5.9734 5.9734 6.0621 6.0621 6.6109 6.6109 6.7610 6.7610 7.1050 7.1050 7.1275 7.1275 8.5455 8.5455 8.6731 8.6731 11.6103 11.6103 11.6211 11.6211 13.7580 13.7580 13.7960 13.7960 k = 0.3739 0.5071 0.3134 ( 1188 PWs) bands (ev): 2.8472 2.8473 2.8508 2.8508 5.6120 5.6120 5.6656 5.6656 5.9533 5.9533 6.0424 6.0424 6.6074 6.6074 6.7616 6.7616 7.1006 7.1006 7.1261 7.1261 8.5899 8.5899 8.7171 8.7171 11.6657 11.6657 11.6772 11.6772 13.5815 13.5815 13.6186 13.6186 k = 0.3694 0.5149 0.3134 ( 1188 PWs) bands (ev): 2.8565 2.8565 2.8601 2.8601 5.6300 5.6300 5.6838 5.6838 5.9333 5.9333 6.0231 6.0231 6.6044 6.6044 6.7624 6.7624 7.0964 7.0964 7.1246 7.1246 8.6318 8.6318 8.7586 8.7586 11.7236 11.7236 11.7359 11.7359 13.4123 13.4123 13.4483 13.4483 k = 0.3649 0.5227 0.3134 ( 1192 PWs) bands (ev): 2.8650 2.8650 2.8685 2.8685 5.6483 5.6483 5.7017 5.7017 5.9136 5.9136 6.0043 6.0043 6.6020 6.6020 6.7635 6.7635 7.0923 7.0923 7.1230 7.1230 8.6708 8.6708 8.7972 8.7972 11.7839 11.7839 11.7971 11.7971 13.2512 13.2512 13.2860 13.2860 k = 0.3604 0.5305 0.3134 ( 1192 PWs) bands (ev): 2.8727 2.8727 2.8762 2.8762 5.6668 5.6668 5.7193 5.7193 5.8941 5.8941 5.9861 5.9861 6.6001 6.6001 6.7649 6.7649 7.0885 7.0885 7.1215 7.1215 8.7063 8.7063 8.8323 8.8323 11.8463 11.8463 11.8606 11.8606 13.0991 13.0991 13.1326 13.1326 k = 0.3559 0.5383 0.3134 ( 1192 PWs) bands (ev): 2.8794 2.8794 2.8829 2.8829 5.6854 5.6854 5.7362 5.7362 5.8748 5.8748 5.9686 5.9686 6.5987 6.5987 6.7664 6.7664 7.0851 7.0851 7.1202 7.1202 8.7379 8.7379 8.8637 8.8637 11.9104 11.9104 11.9259 11.9259 12.9571 12.9571 12.9892 12.9892 k = 0.3514 0.5461 0.3134 ( 1188 PWs) bands (ev): 2.8852 2.8852 2.8886 2.8886 5.7042 5.7042 5.7522 5.7522 5.8557 5.8558 5.9524 5.9524 6.5978 6.5978 6.7679 6.7679 7.0821 7.0821 7.1189 7.1189 8.7651 8.7651 8.8906 8.8906 11.9753 11.9753 11.9922 11.9922 12.8268 12.8268 12.8574 12.8574 k = 0.3468 0.5539 0.3134 ( 1184 PWs) bands (ev): 2.8898 2.8898 2.8932 2.8932 5.7230 5.7230 5.7666 5.7666 5.8369 5.8369 5.9378 5.9378 6.5973 6.5973 6.7694 6.7694 7.0797 7.0797 7.1179 7.1179 8.7872 8.7872 8.9125 8.9125 12.0391 12.0391 12.0575 12.0575 12.7109 12.7109 12.7399 12.7399 k = 0.3423 0.5617 0.3134 ( 1184 PWs) bands (ev): 2.8933 2.8933 2.8966 2.8966 5.7416 5.7416 5.7784 5.7784 5.8183 5.8183 5.9258 5.9258 6.5970 6.5970 6.7705 6.7705 7.0778 7.0778 7.1171 7.1171 8.8036 8.8036 8.9287 8.9287 12.0978 12.0978 12.1178 12.1178 12.6140 12.6140 12.6415 12.6415 k = 0.3378 0.5695 0.3134 ( 1188 PWs) bands (ev): 2.8953 2.8954 2.8987 2.8987 5.7596 5.7596 5.7862 5.7862 5.8004 5.8004 5.9176 5.9176 6.5968 6.5968 6.7712 6.7712 7.0766 7.0766 7.1165 7.1165 8.8137 8.8137 8.9388 8.9388 12.1426 12.1426 12.1644 12.1644 12.5455 12.5455 12.5718 12.5718 k = 0.3333 0.5774 0.3134 ( 1188 PWs) bands (ev): 2.8961 2.8961 2.8994 2.8994 5.7718 5.7718 5.7878 5.7878 5.7895 5.7895 5.9147 5.9147 6.5968 6.5968 6.7715 6.7715 7.0762 7.0762 7.1164 7.1164 8.8172 8.8172 8.9422 8.9422 12.1600 12.1600 12.1825 12.1825 12.5200 12.5200 12.5459 12.5459 k = 0.3333 0.5774 0.3134 ( 1188 PWs) bands (ev): 2.8961 2.8961 2.8994 2.8994 5.7718 5.7718 5.7878 5.7878 5.7895 5.7895 5.9147 5.9147 6.5968 6.5968 6.7715 6.7715 7.0762 7.0762 7.1164 7.1164 8.8172 8.8172 8.9422 8.9422 12.1600 12.1600 12.1825 12.1825 12.5200 12.5200 12.5459 12.5459 k = 0.3288 0.5694 0.3134 ( 1184 PWs) bands (ev): 2.8953 2.8953 2.8987 2.8987 5.7597 5.7597 5.7856 5.7856 5.8009 5.8009 5.9176 5.9176 6.5969 6.5969 6.7713 6.7713 7.0767 7.0767 7.1166 7.1166 8.8135 8.8135 8.9386 8.9386 12.1443 12.1443 12.1661 12.1661 12.5442 12.5442 12.5706 12.5706 k = 0.3242 0.5615 0.3134 ( 1184 PWs) bands (ev): 2.8929 2.8929 2.8963 2.8963 5.7422 5.7422 5.7774 5.7774 5.8188 5.8188 5.9255 5.9255 6.5968 6.5968 6.7702 6.7702 7.0780 7.0780 7.1172 7.1172 8.8022 8.8022 8.9273 8.9273 12.1101 12.1101 12.1300 12.1300 12.6040 12.6040 12.6316 12.6316 k = 0.3196 0.5536 0.3134 ( 1188 PWs) bands (ev): 2.8887 2.8887 2.8921 2.8922 5.7242 5.7242 5.7655 5.7655 5.8370 5.8370 5.9366 5.9366 6.5965 6.5965 6.7683 6.7683 7.0802 7.0802 7.1183 7.1183 8.7832 8.7832 8.9083 8.9083 12.0734 12.0734 12.0915 12.0915 12.6833 12.6833 12.7127 12.7127 k = 0.3151 0.5457 0.3134 ( 1188 PWs) bands (ev): 2.8828 2.8828 2.8863 2.8863 5.7064 5.7064 5.7517 5.7517 5.8551 5.8551 5.9498 5.9498 6.5959 6.5959 6.7655 6.7655 7.0834 7.0834 7.1199 7.1199 8.7566 8.7566 8.8817 8.8817 12.0426 12.0426 12.0589 12.0589 12.7739 12.7739 12.8052 12.8052 k = 0.3105 0.5378 0.3134 ( 1192 PWs) bands (ev): 2.8749 2.8749 2.8784 2.8784 5.6889 5.6889 5.7367 5.7367 5.8729 5.8729 5.9641 5.9641 6.5951 6.5951 6.7619 6.7619 7.0873 7.0873 7.1219 7.1219 8.7226 8.7226 8.8476 8.8476 12.0214 12.0214 12.0360 12.0360 12.8720 12.8720 12.9054 12.9054 k = 0.3059 0.5299 0.3134 ( 1192 PWs) bands (ev): 2.8649 2.8649 2.8685 2.8685 5.6717 5.6717 5.7210 5.7210 5.8904 5.8904 5.9788 5.9788 6.5939 6.5939 6.7574 6.7574 7.0920 7.0920 7.1244 7.1244 8.6819 8.6819 8.8067 8.8067 12.0112 12.0112 12.0241 12.0241 12.9761 12.9761 13.0117 13.0117 k = 0.3014 0.5220 0.3134 ( 1192 PWs) bands (ev): 2.8528 2.8529 2.8565 2.8565 5.6549 5.6549 5.7051 5.7051 5.9074 5.9074 5.9936 5.9936 6.5924 6.5924 6.7522 6.7522 7.0974 7.0974 7.1273 7.1273 8.6349 8.6349 8.7595 8.7595 12.0123 12.0123 12.0236 12.0236 13.0851 13.0851 13.1229 13.1229 k = 0.2968 0.5141 0.3134 ( 1192 PWs) bands (ev): 2.8386 2.8386 2.8423 2.8423 5.6384 5.6384 5.6893 5.6893 5.9239 5.9239 6.0083 6.0083 6.5905 6.5905 6.7462 6.7462 7.1033 7.1033 7.1307 7.1307 8.5825 8.5825 8.7068 8.7068 12.0247 12.0247 12.0344 12.0344 13.1986 13.1986 13.2387 13.2387 k = 0.2922 0.5062 0.3134 ( 1188 PWs) bands (ev): 2.8220 2.8220 2.8258 2.8258 5.6225 5.6225 5.6736 5.6736 5.9399 5.9399 6.0227 6.0227 6.5884 6.5884 6.7397 6.7397 7.1097 7.1097 7.1344 7.1344 8.5256 8.5256 8.6494 8.6494 12.0478 12.0478 12.0560 12.0560 13.3164 13.3164 13.3587 13.3587 k = 0.2877 0.4983 0.3134 ( 1188 PWs) bands (ev): 2.8031 2.8031 2.8069 2.8069 5.6070 5.6070 5.6582 5.6582 5.9553 5.9553 6.0367 6.0367 6.5859 6.5859 6.7327 6.7327 7.1163 7.1163 7.1383 7.1383 8.4649 8.4649 8.5881 8.5881 12.0812 12.0812 12.0878 12.0878 13.4381 13.4381 13.4828 13.4828 k = 0.2831 0.4904 0.3134 ( 1188 PWs) bands (ev): 2.7817 2.7817 2.7855 2.7856 5.5921 5.5921 5.6432 5.6432 5.9700 5.9700 6.0501 6.0501 6.5831 6.5831 6.7253 6.7253 7.1230 7.1230 7.1425 7.1425 8.4013 8.4013 8.5240 8.5240 12.1241 12.1241 12.1292 12.1292 13.5637 13.5637 13.6106 13.6106 k = 0.2785 0.4824 0.3134 ( 1188 PWs) bands (ev): 2.7578 2.7578 2.7617 2.7617 5.5778 5.5778 5.6287 5.6287 5.9840 5.9840 6.0628 6.0628 6.5802 6.5802 6.7176 6.7176 7.1296 7.1296 7.1468 7.1468 8.3358 8.3358 8.4577 8.4577 12.1757 12.1757 12.1795 12.1796 13.6929 13.6929 13.7422 13.7423 k = 0.2740 0.4745 0.3134 ( 1192 PWs) bands (ev): 2.7313 2.7313 2.7352 2.7352 5.5642 5.5642 5.6148 5.6148 5.9973 5.9973 6.0749 6.0749 6.5771 6.5771 6.7097 6.7097 7.1360 7.1360 7.1509 7.1509 8.2689 8.2689 8.3900 8.3900 12.2352 12.2352 12.2384 12.2384 13.8259 13.8259 13.8775 13.8775 k = 0.2694 0.4666 0.3134 ( 1184 PWs) bands (ev): 2.7023 2.7023 2.7062 2.7062 5.5514 5.5514 5.6017 5.6017 6.0098 6.0098 6.0862 6.0862 6.5741 6.5741 6.7019 6.7019 7.1424 7.1424 7.1553 7.1553 8.2016 8.2016 8.3219 8.3219 12.3017 12.3017 12.3052 12.3052 13.9624 13.9624 14.0163 14.0163 k = 0.2648 0.4587 0.3134 ( 1184 PWs) bands (ev): 2.6706 2.6706 2.6744 2.6744 5.5393 5.5393 5.5892 5.5892 6.0214 6.0214 6.0966 6.0966 6.5712 6.5712 6.6942 6.6942 7.1483 7.1483 7.1594 7.1594 8.1344 8.1344 8.2536 8.2536 12.3747 12.3747 12.3794 12.3794 14.1025 14.1025 14.1586 14.1586 k = 0.2603 0.4508 0.3134 ( 1184 PWs) bands (ev): 2.6363 2.6363 2.6401 2.6401 5.5280 5.5280 5.5776 5.5776 6.0321 6.0321 6.1061 6.1061 6.5684 6.5684 6.6867 6.6867 7.1536 7.1536 7.1633 7.1633 8.0677 8.0677 8.1860 8.1860 12.4539 12.4539 12.4602 12.4602 14.2459 14.2460 14.3044 14.3044 k = 0.2557 0.4429 0.3134 ( 1184 PWs) bands (ev): 2.5994 2.5994 2.6030 2.6030 5.5176 5.5176 5.5667 5.5667 6.0419 6.0419 6.1148 6.1148 6.5659 6.5659 6.6795 6.6795 7.1584 7.1584 7.1669 7.1669 8.0021 8.0021 8.1192 8.1192 12.5388 12.5388 12.5469 12.5469 14.3928 14.3928 14.4535 14.4535 k = 0.2511 0.4350 0.3134 ( 1192 PWs) bands (ev): 2.5597 2.5597 2.5632 2.5632 5.5080 5.5080 5.5567 5.5567 6.0506 6.0506 6.1223 6.1223 6.5638 6.5638 6.6727 6.6727 7.1624 7.1624 7.1701 7.1701 7.9379 7.9379 8.0538 8.0538 12.6290 12.6290 12.6391 12.6391 14.5431 14.5431 14.6060 14.6060 k = 0.2466 0.4271 0.3134 ( 1192 PWs) bands (ev): 2.5175 2.5175 2.5209 2.5209 5.4994 5.4994 5.5477 5.5477 6.0586 6.0586 6.1290 6.1290 6.5620 6.5620 6.6664 6.6664 7.1657 7.1657 7.1730 7.1730 7.8756 7.8756 7.9902 7.9902 12.7241 12.7242 12.7361 12.7361 14.6966 14.6966 14.7617 14.7617 k = 0.2420 0.4192 0.3134 ( 1192 PWs) bands (ev): 2.4728 2.4728 2.4761 2.4761 5.4919 5.4919 5.5397 5.5397 6.0656 6.0656 6.1348 6.1348 6.5607 6.5607 6.6606 6.6606 7.1681 7.1681 7.1754 7.1754 7.8153 7.8153 7.9285 7.9285 12.8239 12.8239 12.8378 12.8378 14.8534 14.8534 14.9207 14.9207 k = 0.2374 0.4113 0.3134 ( 1196 PWs) bands (ev): 2.4256 2.4256 2.4287 2.4287 5.4854 5.4854 5.5328 5.5328 6.0717 6.0717 6.1395 6.1395 6.5597 6.5597 6.6553 6.6553 7.1696 7.1696 7.1772 7.1772 7.7572 7.7572 7.8690 7.8690 12.9277 12.9277 12.9435 12.9435 15.0135 15.0135 15.0828 15.0828 k = 0.2329 0.4034 0.3134 ( 1196 PWs) bands (ev): 2.3761 2.3761 2.3791 2.3791 5.4800 5.4800 5.5269 5.5269 6.0770 6.0770 6.1435 6.1435 6.5593 6.5593 6.6506 6.6506 7.1702 7.1702 7.1784 7.1784 7.7016 7.7016 7.8118 7.8118 13.0354 13.0354 13.0531 13.0531 15.1767 15.1767 15.2481 15.2481 k = 0.2283 0.3954 0.3134 ( 1192 PWs) bands (ev): 2.3243 2.3243 2.3272 2.3272 5.4758 5.4758 5.5223 5.5223 6.0816 6.0816 6.1467 6.1467 6.5593 6.5593 6.6465 6.6465 7.1697 7.1697 7.1789 7.1789 7.6485 7.6485 7.7572 7.7572 13.1466 13.1466 13.1661 13.1661 15.3430 15.3430 15.4165 15.4165 k = 0.2237 0.3875 0.3134 ( 1192 PWs) bands (ev): 2.2704 2.2704 2.2731 2.2731 5.4725 5.4725 5.5186 5.5186 6.0854 6.0854 6.1490 6.1490 6.5596 6.5596 6.6428 6.6428 7.1683 7.1683 7.1786 7.1786 7.5982 7.5982 7.7052 7.7052 13.2609 13.2609 13.2821 13.2821 15.5123 15.5123 15.5879 15.5879 k = 0.2192 0.3796 0.3134 ( 1190 PWs) bands (ev): 2.2146 2.2146 2.2170 2.2170 5.4703 5.4703 5.5161 5.5161 6.0885 6.0885 6.1507 6.1507 6.5605 6.5605 6.6397 6.6397 7.1657 7.1657 7.1775 7.1775 7.5506 7.5506 7.6558 7.6558 13.3780 13.3780 13.4009 13.4009 15.6847 15.6847 15.7623 15.7623 k = 0.2146 0.3717 0.3134 ( 1186 PWs) bands (ev): 2.1568 2.1568 2.1591 2.1591 5.4693 5.4693 5.5146 5.5146 6.0911 6.0911 6.1518 6.1518 6.5614 6.5614 6.6369 6.6369 7.1621 7.1621 7.1754 7.1754 7.5060 7.5060 7.6094 7.6094 13.4975 13.4975 13.5220 13.5220 15.8601 15.8601 15.9397 15.9397 k = 0.2100 0.3638 0.3134 ( 1182 PWs) bands (ev): 2.0974 2.0974 2.0996 2.0996 5.4693 5.4693 5.5144 5.5144 6.0932 6.0932 6.1524 6.1524 6.5625 6.5625 6.6344 6.6344 7.1572 7.1572 7.1723 7.1723 7.4643 7.4643 7.5657 7.5657 13.6192 13.6192 13.6452 13.6452 16.0384 16.0384 16.1200 16.1200 k = 0.2055 0.3559 0.3134 ( 1186 PWs) bands (ev): 2.0365 2.0365 2.0385 2.0385 5.4702 5.4702 5.5150 5.5150 6.0948 6.0948 6.1526 6.1526 6.5637 6.5637 6.6319 6.6319 7.1510 7.1510 7.1680 7.1680 7.4256 7.4256 7.5249 7.5249 13.7426 13.7426 13.7699 13.7699 16.2195 16.2195 16.3030 16.3031 k = 0.2009 0.3480 0.3134 ( 1186 PWs) bands (ev): 1.9742 1.9742 1.9761 1.9761 5.4722 5.4722 5.5168 5.5168 6.0962 6.0962 6.1525 6.1525 6.5647 6.5647 6.6295 6.6295 7.1435 7.1435 7.1625 7.1625 7.3902 7.3902 7.4871 7.4871 13.8673 13.8673 13.8959 13.8959 16.4033 16.4033 16.4889 16.4889 k = 0.1963 0.3401 0.3134 ( 1186 PWs) bands (ev): 1.9108 1.9108 1.9125 1.9125 5.4752 5.4752 5.5195 5.5195 6.0973 6.0973 6.1522 6.1522 6.5656 6.5656 6.6270 6.6270 7.1348 7.1348 7.1557 7.1557 7.3581 7.3581 7.4523 7.4523 13.9930 13.9930 14.0227 14.0227 16.5899 16.5899 16.6774 16.6774 k = 0.1918 0.3322 0.3134 ( 1186 PWs) bands (ev): 1.8464 1.8464 1.8480 1.8480 5.4791 5.4791 5.5233 5.5233 6.0983 6.0983 6.1517 6.1517 6.5662 6.5662 6.6243 6.6243 7.1249 7.1249 7.1474 7.1474 7.3294 7.3294 7.4205 7.4205 14.1192 14.1192 14.1498 14.1498 16.7789 16.7789 16.8684 16.8685 k = 0.1872 0.3243 0.3134 ( 1182 PWs) bands (ev): 1.7812 1.7812 1.7827 1.7827 5.4840 5.4840 5.5281 5.5281 6.0994 6.0994 6.1513 6.1513 6.5665 6.5665 6.6212 6.6212 7.1139 7.1139 7.1378 7.1378 7.3040 7.3040 7.3916 7.3916 14.2453 14.2453 14.2769 14.2769 16.9704 16.9704 17.0620 17.0620 k = 0.1826 0.3164 0.3134 ( 1182 PWs) bands (ev): 1.7154 1.7154 1.7168 1.7168 5.4897 5.4897 5.5337 5.5337 6.1003 6.1003 6.1509 6.1509 6.5661 6.5661 6.6175 6.6175 7.1020 7.1020 7.1268 7.1268 7.2818 7.2818 7.3654 7.3654 14.3710 14.3710 14.4032 14.4032 17.1641 17.1641 17.2577 17.2577 k = 0.1781 0.3084 0.3134 ( 1182 PWs) bands (ev): 1.6492 1.6492 1.6505 1.6505 5.4962 5.4962 5.5401 5.5401 6.1013 6.1013 6.1505 6.1505 6.5652 6.5652 6.6133 6.6133 7.0895 7.0895 7.1147 7.1147 7.2625 7.2625 7.3418 7.3418 14.4956 14.4956 14.5283 14.5283 17.3597 17.3597 17.4555 17.4555 k = 0.1735 0.3005 0.3134 ( 1178 PWs) bands (ev): 1.5827 1.5827 1.5840 1.5840 5.5036 5.5036 5.5475 5.5475 6.1025 6.1025 6.1505 6.1505 6.5635 6.5635 6.6083 6.6083 7.0766 7.0766 7.1018 7.1018 7.2459 7.2459 7.3206 7.3206 14.6186 14.6186 14.6516 14.6516 17.5569 17.5569 17.6549 17.6549 k = 0.1689 0.2926 0.3134 ( 1178 PWs) bands (ev): 1.5162 1.5162 1.5174 1.5174 5.5115 5.5115 5.5555 5.5555 6.1037 6.1037 6.1504 6.1504 6.5609 6.5609 6.6025 6.6025 7.0638 7.0638 7.0885 7.0885 7.2313 7.2313 7.3013 7.3013 14.7391 14.7391 14.7723 14.7723 17.7551 17.7551 17.8555 17.8555 k = 0.1644 0.2847 0.3134 ( 1182 PWs) bands (ev): 1.4496 1.4496 1.4509 1.4509 5.5201 5.5201 5.5642 5.5642 6.1050 6.1050 6.1506 6.1506 6.5573 6.5573 6.5957 6.5957 7.0514 7.0514 7.0753 7.0753 7.2183 7.2183 7.2838 7.2838 14.8566 14.8566 14.8897 14.8897 17.9533 17.9533 18.0563 18.0563 k = 0.1598 0.2768 0.3134 ( 1182 PWs) bands (ev): 1.3834 1.3834 1.3846 1.3846 5.5293 5.5293 5.5735 5.5735 6.1066 6.1066 6.1510 6.1510 6.5528 6.5528 6.5883 6.5883 7.0396 7.0396 7.0625 7.0625 7.2066 7.2066 7.2678 7.2678 14.9704 14.9704 15.0031 15.0031 18.1501 18.1501 18.2559 18.2559 k = 0.1553 0.2689 0.3134 ( 1180 PWs) bands (ev): 1.3176 1.3176 1.3188 1.3188 5.5391 5.5391 5.5834 5.5834 6.1083 6.1083 6.1517 6.1517 6.5474 6.5474 6.5800 6.5800 7.0287 7.0287 7.0506 7.0506 7.1959 7.1959 7.2531 7.2531 15.0795 15.0795 15.1117 15.1118 18.3428 18.3428 18.4514 18.4514 k = 0.1507 0.2610 0.3134 ( 1180 PWs) bands (ev): 1.2523 1.2523 1.2535 1.2535 5.5493 5.5493 5.5937 5.5937 6.1103 6.1103 6.1525 6.1525 6.5410 6.5410 6.5708 6.5708 7.0186 7.0186 7.0395 7.0395 7.1858 7.1858 7.2393 7.2393 15.1833 15.1833 15.2148 15.2148 18.5267 18.5267 18.6376 18.6376 k = 0.1461 0.2531 0.3134 ( 1176 PWs) bands (ev): 1.1877 1.1877 1.1890 1.1890 5.5600 5.5600 5.6046 5.6046 6.1124 6.1124 6.1537 6.1537 6.5336 6.5336 6.5610 6.5610 7.0097 7.0097 7.0296 7.0296 7.1763 7.1763 7.2263 7.2263 15.2810 15.2810 15.3116 15.3116 18.6940 18.6940 18.8045 18.8045 k = 0.1416 0.2452 0.3134 ( 1176 PWs) bands (ev): 1.1240 1.1240 1.1253 1.1253 5.5711 5.5711 5.6158 5.6158 6.1148 6.1148 6.1550 6.1550 6.5252 6.5252 6.5505 6.5505 7.0017 7.0017 7.0208 7.0208 7.1671 7.1671 7.2140 7.2140 15.3718 15.3718 15.4012 15.4013 18.8354 18.8354 18.9394 18.9394 k = 0.1370 0.2373 0.3134 ( 1176 PWs) bands (ev): 1.0612 1.0612 1.0625 1.0625 5.5824 5.5824 5.6274 5.6274 6.1173 6.1173 6.1565 6.1565 6.5160 6.5160 6.5395 6.5395 6.9948 6.9948 7.0132 7.0132 7.1582 7.1582 7.2022 7.2022 15.4552 15.4552 15.4833 15.4833 18.9475 18.9475 19.0389 19.0389 k = 0.1324 0.2294 0.3134 ( 1176 PWs) bands (ev): 0.9995 0.9995 1.0008 1.0008 5.5941 5.5941 5.6392 5.6392 6.1199 6.1199 6.1582 6.1582 6.5060 6.5060 6.5280 6.5280 6.9888 6.9888 7.0067 7.0067 7.1495 7.1495 7.1908 7.1908 15.5306 15.5306 15.5573 15.5573 19.0379 19.0380 19.1164 19.1164 k = 0.1279 0.2214 0.3134 ( 1178 PWs) bands (ev): 0.9389 0.9390 0.9403 0.9403 5.6060 5.6060 5.6512 5.6512 6.1227 6.1227 6.1600 6.1600 6.4954 6.4954 6.5162 6.5162 6.9837 6.9837 7.0013 7.0013 7.1410 7.1410 7.1798 7.1798 15.5978 15.5978 15.6228 15.6228 19.1190 19.1190 19.1872 19.1872 k = 0.1233 0.2135 0.3134 ( 1174 PWs) bands (ev): 0.8798 0.8798 0.8811 0.8811 5.6181 5.6181 5.6634 5.6634 6.1257 6.1257 6.1618 6.1618 6.4843 6.4843 6.5043 6.5043 6.9795 6.9795 6.9969 6.9969 7.1329 7.1329 7.1693 7.1693 15.6565 15.6565 15.6798 15.6799 19.1994 19.1994 19.2602 19.2602 k = 0.1187 0.2056 0.3134 ( 1178 PWs) bands (ev): 0.8219 0.8220 0.8233 0.8233 5.6302 5.6302 5.6756 5.6756 6.1286 6.1286 6.1637 6.1637 6.4729 6.4729 6.4922 6.4922 6.9760 6.9760 6.9932 6.9932 7.1248 7.1248 7.1590 7.1590 15.7068 15.7068 15.7284 15.7284 19.2841 19.2841 19.3396 19.3396 k = 0.1142 0.1977 0.3134 ( 1182 PWs) bands (ev): 0.7657 0.7657 0.7670 0.7670 5.6424 5.6424 5.6878 5.6879 6.1316 6.1316 6.1655 6.1655 6.4613 6.4613 6.4802 6.4802 6.9731 6.9731 6.9902 6.9902 7.1169 7.1169 7.1489 7.1489 15.7490 15.7490 15.7689 15.7689 19.3754 19.3754 19.4270 19.4270 k = 0.1096 0.1898 0.3134 ( 1178 PWs) bands (ev): 0.7110 0.7110 0.7123 0.7123 5.6548 5.6548 5.7002 5.7002 6.1347 6.1347 6.1674 6.1674 6.4497 6.4497 6.4684 6.4684 6.9710 6.9710 6.9880 6.9880 7.1093 7.1093 7.1393 7.1393 15.7835 15.7835 15.8017 15.8017 19.4744 19.4744 19.5228 19.5228 k = 0.1050 0.1819 0.3134 ( 1178 PWs) bands (ev): 0.6579 0.6579 0.6593 0.6593 5.6672 5.6672 5.7124 5.7124 6.1377 6.1377 6.1690 6.1690 6.4381 6.4381 6.4568 6.4568 6.9694 6.9694 6.9861 6.9861 7.1020 7.1020 7.1299 7.1299 15.8108 15.8108 15.8274 15.8274 19.5811 19.5811 19.6269 19.6270 k = 0.1005 0.1740 0.3134 ( 1178 PWs) bands (ev): 0.6067 0.6067 0.6080 0.6080 5.6795 5.6795 5.7245 5.7245 6.1407 6.1407 6.1705 6.1705 6.4267 6.4267 6.4454 6.4454 6.9682 6.9682 6.9847 6.9847 7.0949 7.0949 7.1208 7.1208 15.8316 15.8316 15.8466 15.8466 19.6951 19.6951 19.7387 19.7387 k = 0.0959 0.1661 0.3134 ( 1178 PWs) bands (ev): 0.5572 0.5572 0.5585 0.5586 5.6918 5.6918 5.7365 5.7365 6.1436 6.1436 6.1717 6.1717 6.4156 6.4156 6.4346 6.4346 6.9674 6.9674 6.9835 6.9835 7.0881 7.0881 7.1121 7.1121 15.8465 15.8465 15.8601 15.8601 19.8156 19.8156 19.8572 19.8572 k = 0.0913 0.1582 0.3134 ( 1186 PWs) bands (ev): 0.5096 0.5097 0.5110 0.5110 5.7039 5.7039 5.7482 5.7482 6.1462 6.1462 6.1726 6.1726 6.4048 6.4048 6.4241 6.4241 6.9668 6.9668 6.9825 6.9825 7.0813 7.0813 7.1034 7.1034 15.8563 15.8563 15.8686 15.8686 19.9419 19.9419 19.9815 19.9815 k = 0.0868 0.1503 0.3134 ( 1184 PWs) bands (ev): 0.4641 0.4641 0.4653 0.4653 5.7160 5.7160 5.7597 5.7597 6.1487 6.1487 6.1732 6.1732 6.3947 6.3947 6.4143 6.4143 6.9666 6.9666 6.9818 6.9818 7.0751 7.0751 7.0954 7.0954 15.8618 15.8618 15.8728 15.8728 20.0727 20.0727 20.1105 20.1105 k = 0.0822 0.1424 0.3134 ( 1184 PWs) bands (ev): 0.4205 0.4205 0.4217 0.4217 5.7278 5.7278 5.7708 5.7708 6.1509 6.1509 6.1734 6.1734 6.3850 6.3850 6.4051 6.4051 6.9666 6.9666 6.9811 6.9811 7.0693 7.0693 7.0877 7.0877 15.8635 15.8635 15.8734 15.8734 20.2071 20.2071 20.2429 20.2429 k = 0.0776 0.1345 0.3134 ( 1184 PWs) bands (ev): 0.3790 0.3790 0.3802 0.3802 5.7394 5.7394 5.7816 5.7816 6.1529 6.1529 6.1733 6.1733 6.3760 6.3760 6.3965 6.3965 6.9667 6.9667 6.9805 6.9805 7.0639 7.0639 7.0804 7.0804 15.8622 15.8622 15.8711 15.8711 20.3438 20.3438 20.3776 20.3776 k = 0.0731 0.1265 0.3134 ( 1180 PWs) bands (ev): 0.3396 0.3396 0.3408 0.3408 5.7507 5.7507 5.7919 5.7919 6.1546 6.1546 6.1728 6.1728 6.3677 6.3677 6.3887 6.3887 6.9669 6.9669 6.9800 6.9800 7.0589 7.0589 7.0736 7.0736 15.8584 15.8584 15.8664 15.8664 20.4816 20.4816 20.5133 20.5133 k = 0.0685 0.1186 0.3134 ( 1184 PWs) bands (ev): 0.3024 0.3024 0.3035 0.3035 5.7617 5.7617 5.8018 5.8018 6.1558 6.1558 6.1718 6.1718 6.3600 6.3600 6.3815 6.3815 6.9671 6.9671 6.9794 6.9794 7.0542 7.0542 7.0671 7.0671 15.8527 15.8527 15.8598 15.8598 20.6192 20.6192 20.6487 20.6487 k = 0.0639 0.1107 0.3134 ( 1192 PWs) bands (ev): 0.2674 0.2674 0.2684 0.2684 5.7723 5.7723 5.8111 5.8111 6.1566 6.1567 6.1704 6.1704 6.3531 6.3531 6.3749 6.3749 6.9672 6.9672 6.9787 6.9787 7.0499 7.0499 7.0610 7.0610 15.8455 15.8455 15.8519 15.8519 20.7553 20.7553 20.7825 20.7825 k = 0.0594 0.1028 0.3134 ( 1188 PWs) bands (ev): 0.2347 0.2347 0.2356 0.2357 5.7827 5.7827 5.8199 5.8199 6.1573 6.1573 6.1689 6.1689 6.3471 6.3471 6.3691 6.3691 6.9674 6.9674 6.9781 6.9781 7.0462 7.0462 7.0556 7.0556 15.8373 15.8373 15.8430 15.8430 20.8887 20.8887 20.9135 20.9135 k = 0.0548 0.0949 0.3134 ( 1186 PWs) bands (ev): 0.2042 0.2042 0.2051 0.2052 5.7926 5.7926 5.8281 5.8281 6.1575 6.1575 6.1671 6.1671 6.3419 6.3419 6.3638 6.3638 6.9676 6.9676 6.9775 6.9775 7.0428 7.0428 7.0506 7.0506 15.8285 15.8285 15.8336 15.8336 21.0179 21.0179 21.0402 21.0402 k = 0.0502 0.0870 0.3134 ( 1190 PWs) bands (ev): 0.1761 0.1761 0.1769 0.1770 5.8020 5.8020 5.8355 5.8355 6.1574 6.1574 6.1651 6.1651 6.3374 6.3374 6.3591 6.3591 6.9676 6.9676 6.9767 6.9767 7.0397 7.0397 7.0460 7.0460 15.8193 15.8193 15.8239 15.8239 21.1416 21.1416 21.1616 21.1616 k = 0.0457 0.0791 0.3134 ( 1190 PWs) bands (ev): 0.1503 0.1503 0.1511 0.1511 5.8110 5.8110 5.8424 5.8424 6.1569 6.1569 6.1630 6.1630 6.3337 6.3337 6.3548 6.3548 6.9676 6.9676 6.9759 6.9759 7.0371 7.0371 7.0420 7.0420 15.8102 15.8102 15.8142 15.8142 21.2585 21.2585 21.2761 21.2761 k = 0.0411 0.0712 0.3134 ( 1190 PWs) bands (ev): 0.1269 0.1269 0.1276 0.1276 5.8195 5.8195 5.8485 5.8485 6.1562 6.1562 6.1608 6.1608 6.3307 6.3307 6.3510 6.3510 6.9675 6.9675 6.9750 6.9750 7.0348 7.0348 7.0385 7.0385 15.8013 15.8013 15.8048 15.8048 21.3675 21.3675 21.3828 21.3828 k = 0.0365 0.0633 0.3134 ( 1190 PWs) bands (ev): 0.1059 0.1059 0.1066 0.1066 5.8274 5.8274 5.8539 5.8539 6.1553 6.1553 6.1586 6.1586 6.3285 6.3285 6.3475 6.3475 6.9674 6.9674 6.9741 6.9741 7.0329 7.0329 7.0356 7.0356 15.7928 15.7928 15.7958 15.7958 21.4674 21.4674 21.4805 21.4806 k = 0.0320 0.0554 0.3134 ( 1190 PWs) bands (ev): 0.0874 0.0874 0.0879 0.0879 5.8348 5.8348 5.8584 5.8585 6.1543 6.1543 6.1566 6.1566 6.3269 6.3269 6.3444 6.3444 6.9673 6.9673 6.9732 6.9732 7.0312 7.0312 7.0331 7.0331 15.7849 15.7849 15.7875 15.7875 21.5572 21.5572 21.5684 21.5684 k = 0.0274 0.0475 0.3134 ( 1190 PWs) bands (ev): 0.0712 0.0712 0.0717 0.0717 5.8415 5.8415 5.8622 5.8622 6.1532 6.1532 6.1547 6.1547 6.3258 6.3258 6.3415 6.3415 6.9672 6.9672 6.9723 6.9723 7.0299 7.0299 7.0310 7.0310 15.7778 15.7778 15.7800 15.7800 21.6362 21.6363 21.6456 21.6456 k = 0.0228 0.0395 0.3134 ( 1194 PWs) bands (ev): 0.0576 0.0576 0.0580 0.0580 5.8475 5.8475 5.8650 5.8651 6.1521 6.1521 6.1529 6.1529 6.3252 6.3252 6.3387 6.3388 6.9671 6.9671 6.9714 6.9714 7.0287 7.0287 7.0294 7.0294 15.7716 15.7716 15.7734 15.7734 21.7039 21.7039 21.7115 21.7115 k = 0.0183 0.0316 0.3134 ( 1194 PWs) bands (ev): 0.0464 0.0464 0.0467 0.0467 5.8528 5.8528 5.8671 5.8671 6.1511 6.1511 6.1515 6.1515 6.3252 6.3252 6.3363 6.3363 6.9670 6.9670 6.9705 6.9706 7.0278 7.0278 7.0282 7.0282 15.7665 15.7665 15.7679 15.7679 21.7596 21.7596 21.7656 21.7656 k = 0.0137 0.0237 0.3134 ( 1194 PWs) bands (ev): 0.0377 0.0377 0.0379 0.0379 5.8575 5.8575 5.8683 5.8683 6.1502 6.1502 6.1504 6.1504 6.3256 6.3256 6.3341 6.3341 6.9671 6.9671 6.9698 6.9698 7.0271 7.0271 7.0273 7.0273 15.7624 15.7624 15.7635 15.7635 21.8033 21.8034 21.8078 21.8078 k = 0.0091 0.0158 0.3134 ( 1194 PWs) bands (ev): 0.0315 0.0315 0.0316 0.0316 5.8613 5.8613 5.8686 5.8686 6.1496 6.1496 6.1496 6.1496 6.3263 6.3263 6.3321 6.3321 6.9672 6.9672 6.9690 6.9690 7.0266 7.0266 7.0266 7.0266 15.7595 15.7595 15.7602 15.7602 21.8348 21.8348 21.8378 21.8378 k = 0.0046 0.0079 0.3134 ( 1194 PWs) bands (ev): 0.0278 0.0278 0.0278 0.0278 5.8644 5.8644 5.8681 5.8681 6.1491 6.1491 6.1491 6.1491 6.3273 6.3273 6.3303 6.3303 6.9675 6.9675 6.9684 6.9684 7.0263 7.0263 7.0263 7.0263 15.7578 15.7578 15.7582 15.7582 21.8540 21.8541 21.8555 21.8555 k = 0.0000 0.0000 0.3134 ( 1194 PWs) bands (ev): 0.0265 0.0265 0.0266 0.0266 5.8666 5.8666 5.8666 5.8666 6.1490 6.1490 6.1490 6.1490 6.3287 6.3287 6.3287 6.3287 6.9679 6.9679 6.9679 6.9679 7.0262 7.0262 7.0262 7.0262 15.7574 15.7574 15.7574 15.7574 21.8609 21.8609 21.8610 21.8610 k = 0.5000 0.2887 0.3134 ( 1180 PWs) bands (ev): 2.6090 2.6090 2.6090 2.6090 5.3434 5.3434 5.3434 5.3434 6.5576 6.5576 6.5576 6.5576 6.7337 6.7337 6.7337 6.7337 7.1915 7.1915 7.1915 7.1915 7.5303 7.5303 7.5303 7.5303 10.9558 10.9558 10.9558 10.9558 19.5997 19.5997 19.5997 19.5997 k = 0.5000 0.2887 0.3045 ( 1176 PWs) bands (ev): 2.5814 2.5814 2.6357 2.6357 5.3394 5.3394 5.3479 5.3479 6.5335 6.5335 6.5825 6.5825 6.7124 6.7124 6.7560 6.7560 7.1907 7.1907 7.1920 7.1920 7.4974 7.4974 7.5633 7.5633 10.9241 10.9241 10.9915 10.9915 19.4897 19.4897 19.7005 19.7005 k = 0.5000 0.2887 0.2955 ( 1180 PWs) bands (ev): 2.5529 2.5529 2.6614 2.6614 5.3360 5.3360 5.3529 5.3529 6.5099 6.5099 6.6072 6.6072 6.6923 6.6923 6.7790 6.7790 7.1895 7.1895 7.1921 7.1922 7.4648 7.4648 7.5960 7.5960 10.8963 10.8963 11.0312 11.0312 19.3715 19.3715 19.7678 19.7678 k = 0.5000 0.2887 0.2866 ( 1180 PWs) bands (ev): 2.5238 2.5238 2.6860 2.6860 5.3333 5.3333 5.3581 5.3581 6.4874 6.4874 6.6302 6.6302 6.6752 6.6752 6.8027 6.8027 7.1880 7.1880 7.1922 7.1922 7.4328 7.4328 7.6283 7.6283 10.8726 10.8726 11.0748 11.0748 19.2462 19.2462 19.6579 19.6579 k = 0.5000 0.2887 0.2776 ( 1176 PWs) bands (ev): 2.4941 2.4941 2.7095 2.7095 5.3315 5.3315 5.3637 5.3637 6.4658 6.4658 6.6398 6.6398 6.6725 6.6725 6.8269 6.8269 7.1859 7.1859 7.1922 7.1922 7.4022 7.4022 7.6602 7.6602 10.8529 10.8529 11.1224 11.1224 19.1141 19.1142 19.5447 19.5447 k = 0.5000 0.2887 0.2687 ( 1182 PWs) bands (ev): 2.4638 2.4638 2.7316 2.7316 5.3302 5.3302 5.3692 5.3692 6.4452 6.4452 6.6277 6.6277 6.6920 6.6920 6.8512 6.8512 7.1828 7.1828 7.1920 7.1920 7.3732 7.3732 7.6913 7.6913 10.8372 10.8372 11.1740 11.1740 18.9760 18.9760 19.4338 19.4338 k = 0.5000 0.2887 0.2597 ( 1182 PWs) bands (ev): 2.4333 2.4333 2.7525 2.7525 5.3301 5.3301 5.3749 5.3749 6.4257 6.4257 6.6117 6.6117 6.7161 6.7161 6.8755 6.8755 7.1785 7.1785 7.1918 7.1918 7.3471 7.3471 7.7218 7.7218 10.8255 10.8255 11.2294 11.2294 18.8323 18.8323 19.3255 19.3255 k = 0.5000 0.2887 0.2508 ( 1186 PWs) bands (ev): 2.4025 2.4025 2.7719 2.7719 5.3308 5.3308 5.3806 5.3806 6.4072 6.4072 6.5958 6.5958 6.7401 6.7401 6.8989 6.8989 7.1725 7.1725 7.1916 7.1916 7.3246 7.3246 7.7513 7.7513 10.8179 10.8179 11.2888 11.2888 18.6833 18.6833 19.2200 19.2200 k = 0.5000 0.2887 0.2418 ( 1186 PWs) bands (ev): 2.3717 2.3717 2.7901 2.7901 5.3326 5.3326 5.3861 5.3861 6.3897 6.3897 6.5807 6.5807 6.7634 6.7634 6.9207 6.9207 7.1653 7.1653 7.1916 7.1916 7.3070 7.3070 7.7800 7.7800 10.8143 10.8143 11.3520 11.3520 18.5297 18.5297 19.1173 19.1173 k = 0.5000 0.2887 0.2328 ( 1182 PWs) bands (ev): 2.3409 2.3409 2.8069 2.8069 5.3356 5.3356 5.3916 5.3916 6.3733 6.3733 6.5665 6.5665 6.7852 6.7852 6.9395 6.9395 7.1579 7.1579 7.1918 7.1918 7.2947 7.2947 7.8078 7.8078 10.8149 10.8149 11.4190 11.4190 18.3720 18.3720 19.0176 19.0176 k = 0.5000 0.2887 0.2239 ( 1180 PWs) bands (ev): 2.3102 2.3102 2.8223 2.8223 5.3394 5.3394 5.3969 5.3969 6.3578 6.3578 6.5535 6.5535 6.8047 6.8047 6.9535 6.9535 7.1524 7.1525 7.1923 7.1923 7.2875 7.2875 7.8345 7.8345 10.8195 10.8195 11.4898 11.4898 18.2106 18.2106 18.9209 18.9209 k = 0.5000 0.2887 0.2149 ( 1188 PWs) bands (ev): 2.2798 2.2798 2.8362 2.8362 5.3441 5.3441 5.4018 5.4018 6.3430 6.3430 6.5414 6.5414 6.8204 6.8204 6.9615 6.9615 7.1510 7.1510 7.1933 7.1933 7.2852 7.2852 7.8602 7.8602 10.8281 10.8281 11.5642 11.5642 18.0462 18.0462 18.8273 18.8273 k = 0.5000 0.2887 0.2060 ( 1192 PWs) bands (ev): 2.2497 2.2497 2.8489 2.8489 5.3498 5.3498 5.4066 5.4066 6.3291 6.3291 6.5307 6.5307 6.8306 6.8306 6.9648 6.9648 7.1542 7.1542 7.1954 7.1954 7.2878 7.2878 7.8848 7.8848 10.8408 10.8408 11.6423 11.6423 17.8794 17.8794 18.7368 18.7368 k = 0.5000 0.2887 0.1970 ( 1192 PWs) bands (ev): 2.2201 2.2201 2.8602 2.8602 5.3564 5.3564 5.4113 5.4113 6.3159 6.3159 6.5211 6.5211 6.8331 6.8331 6.9671 6.9671 7.1599 7.1599 7.1989 7.1989 7.2953 7.2953 7.9083 7.9083 10.8576 10.8576 11.7239 11.7239 17.7108 17.7108 18.6495 18.6495 k = 0.5000 0.2887 0.1881 ( 1192 PWs) bands (ev): 2.1911 2.1911 2.8703 2.8703 5.3637 5.3637 5.4158 5.4158 6.3033 6.3033 6.5127 6.5127 6.8261 6.8261 6.9720 6.9720 7.1655 7.1655 7.2039 7.2039 7.3082 7.3082 7.9306 7.9306 10.8784 10.8784 11.8089 11.8089 17.5409 17.5409 18.5656 18.5656 k = 0.5000 0.2887 0.1791 ( 1192 PWs) bands (ev): 2.1628 2.1628 2.8792 2.8792 5.3715 5.3715 5.4204 5.4204 6.2913 6.2913 6.5056 6.5056 6.8106 6.8106 6.9808 6.9808 7.1694 7.1694 7.2097 7.2097 7.3262 7.3262 7.9519 7.9519 10.9032 10.9032 11.8971 11.8971 17.3705 17.3705 18.4849 18.4849 k = 0.5000 0.2887 0.1702 ( 1192 PWs) bands (ev): 2.1353 2.1353 2.8869 2.8869 5.3796 5.3796 5.4253 5.4253 6.2798 6.2798 6.4996 6.4996 6.7888 6.7888 6.9925 6.9925 7.1718 7.1718 7.2153 7.2153 7.3486 7.3486 7.9720 7.9720 10.9319 10.9319 11.9885 11.9885 17.2002 17.2002 18.4075 18.4075 k = 0.5000 0.2887 0.1612 ( 1194 PWs) bands (ev): 2.1087 2.1087 2.8936 2.8936 5.3876 5.3876 5.4308 5.4308 6.2688 6.2688 6.4946 6.4946 6.7632 6.7632 7.0057 7.0057 7.1732 7.1732 7.2204 7.2204 7.3742 7.3742 7.9910 7.9910 10.9644 10.9644 12.0828 12.0828 17.0305 17.0305 18.3332 18.3332 k = 0.5000 0.2887 0.1522 ( 1194 PWs) bands (ev): 2.0830 2.0830 2.8993 2.8993 5.3949 5.3949 5.4373 5.4373 6.2582 6.2582 6.4908 6.4908 6.7354 6.7354 7.0194 7.0194 7.1740 7.1740 7.2248 7.2248 7.4017 7.4017 8.0088 8.0088 11.0005 11.0005 12.1799 12.1799 16.8621 16.8621 18.2614 18.2614 k = 0.5000 0.2887 0.1433 ( 1194 PWs) bands (ev): 2.0584 2.0584 2.9040 2.9040 5.4010 5.4010 5.4454 5.4454 6.2481 6.2481 6.4878 6.4878 6.7063 6.7063 7.0331 7.0331 7.1745 7.1745 7.2289 7.2289 7.4301 7.4301 8.0256 8.0256 11.0401 11.0401 12.2794 12.2794 16.6957 16.6957 18.1875 18.1875 k = 0.5000 0.2887 0.1343 ( 1194 PWs) bands (ev): 2.0349 2.0349 2.9080 2.9080 5.4059 5.4059 5.4551 5.4551 6.2384 6.2384 6.4857 6.4857 6.6769 6.6769 7.0463 7.0463 7.1748 7.1748 7.2327 7.2327 7.4587 7.4587 8.0413 8.0413 11.0830 11.0830 12.3812 12.3812 16.5320 16.5320 18.0652 18.0652 k = 0.5000 0.2887 0.1254 ( 1194 PWs) bands (ev): 2.0125 2.0125 2.9112 2.9112 5.4094 5.4094 5.4661 5.4661 6.2292 6.2292 6.4844 6.4844 6.6475 6.6475 7.0588 7.0588 7.1750 7.1750 7.2363 7.2363 7.4871 7.4871 8.0559 8.0559 11.1287 11.1287 12.4847 12.4847 16.3717 16.3717 17.8908 17.8908 k = 0.5000 0.2887 0.1164 ( 1196 PWs) bands (ev): 1.9914 1.9914 2.9137 2.9137 5.4120 5.4120 5.4783 5.4783 6.2204 6.2204 6.4835 6.4835 6.6185 6.6185 7.0704 7.0704 7.1751 7.1751 7.2399 7.2399 7.5144 7.5144 8.0693 8.0693 11.1769 11.1769 12.5897 12.5897 16.2155 16.2155 17.7132 17.7132 k = 0.5000 0.2887 0.1075 ( 1196 PWs) bands (ev): 1.9717 1.9717 2.9157 2.9157 5.4138 5.4138 5.4913 5.4913 6.2121 6.2121 6.4830 6.4830 6.5905 6.5905 7.0811 7.0811 7.1753 7.1753 7.2435 7.2435 7.5406 7.5406 8.0817 8.0817 11.2271 11.2271 12.6956 12.6956 16.0642 16.0642 17.5381 17.5381 k = 0.5000 0.2887 0.0985 ( 1196 PWs) bands (ev): 1.9533 1.9533 2.9172 2.9172 5.4151 5.4151 5.5046 5.5046 6.2042 6.2042 6.4827 6.4827 6.5638 6.5638 7.0907 7.0907 7.1754 7.1754 7.2472 7.2472 7.5654 7.5654 8.0931 8.0931 11.2788 11.2788 12.8019 12.8019 15.9186 15.9186 17.3673 17.3673 k = 0.5000 0.2887 0.0896 ( 1194 PWs) bands (ev): 1.9364 1.9364 2.9183 2.9183 5.4161 5.4161 5.5182 5.5182 6.1969 6.1969 6.4820 6.4820 6.5391 6.5391 7.0994 7.0994 7.1755 7.1755 7.2507 7.2507 7.5885 7.5885 8.1034 8.1034 11.3313 11.3313 12.9077 12.9077 15.7798 15.7798 17.2019 17.2019 k = 0.5000 0.2887 0.0806 ( 1194 PWs) bands (ev): 1.9209 1.9209 2.9191 2.9191 5.4167 5.4167 5.5315 5.5315 6.1901 6.1901 6.4795 6.4795 6.5178 6.5178 7.1069 7.1069 7.1756 7.1756 7.2543 7.2543 7.6098 7.6098 8.1127 8.1127 11.3838 11.3838 13.0121 13.0121 15.6486 15.6486 17.0430 17.0430 k = 0.5000 0.2887 0.0716 ( 1190 PWs) bands (ev): 1.9071 1.9071 2.9196 2.9196 5.4171 5.4171 5.5445 5.5445 6.1840 6.1840 6.4721 6.4721 6.5034 6.5034 7.1134 7.1134 7.1759 7.1759 7.2579 7.2579 7.6291 7.6291 8.1210 8.1210 11.4354 11.4354 13.1140 13.1140 15.5262 15.5262 16.8921 16.8921 k = 0.5000 0.2887 0.0627 ( 1190 PWs) bands (ev): 1.8947 1.8947 2.9199 2.9199 5.4174 5.4174 5.5568 5.5568 6.1783 6.1783 6.4580 6.4580 6.4977 6.4977 7.1189 7.1189 7.1761 7.1761 7.2612 7.2612 7.6464 7.6464 8.1282 8.1282 11.4851 11.4851 13.2120 13.2120 15.4137 15.4137 16.7506 16.7506 k = 0.5000 0.2887 0.0537 ( 1196 PWs) bands (ev): 1.8839 1.8839 2.9200 2.9200 5.4175 5.4175 5.5682 5.5682 6.1732 6.1732 6.4417 6.4417 6.4962 6.4962 7.1233 7.1233 7.1763 7.1763 7.2643 7.2643 7.6614 7.6614 8.1343 8.1343 11.5317 11.5317 13.3044 13.3044 15.3124 15.3124 16.6203 16.6203 k = 0.5000 0.2887 0.0448 ( 1196 PWs) bands (ev): 1.8747 1.8747 2.9200 2.9200 5.4177 5.4177 5.5784 5.5784 6.1688 6.1688 6.4264 6.4264 6.4960 6.4960 7.1270 7.1270 7.1766 7.1766 7.2672 7.2672 7.6740 7.6740 8.1395 8.1395 11.5741 11.5741 13.3892 13.3892 15.2236 15.2236 16.5034 16.5034 k = 0.5000 0.2887 0.0358 ( 1200 PWs) bands (ev): 1.8671 1.8671 2.9199 2.9199 5.4176 5.4176 5.5872 5.5872 6.1650 6.1650 6.4131 6.4131 6.4963 6.4963 7.1299 7.1299 7.1768 7.1768 7.2696 7.2696 7.6846 7.6846 8.1439 8.1439 11.6110 11.6110 13.4640 13.4640 15.1486 15.1486 16.4022 16.4022 k = 0.5000 0.2887 0.0269 ( 1200 PWs) bands (ev): 1.8612 1.8612 2.9198 2.9198 5.4176 5.4176 5.5944 5.5944 6.1620 6.1620 6.4025 6.4025 6.4968 6.4968 7.1321 7.1321 7.1770 7.1770 7.2715 7.2715 7.6929 7.6929 8.1472 8.1472 11.6412 11.6412 13.5262 13.5262 15.0887 15.0887 16.3195 16.3195 k = 0.5000 0.2887 0.0179 ( 1204 PWs) bands (ev): 1.8569 1.8569 2.9197 2.9197 5.4176 5.4176 5.5995 5.5995 6.1598 6.1598 6.3947 6.3947 6.4972 6.4972 7.1336 7.1336 7.1771 7.1771 7.2730 7.2730 7.6987 7.6987 8.1495 8.1495 11.6636 11.6636 13.5730 13.5730 15.0450 15.0450 16.2579 16.2579 k = 0.5000 0.2887 0.0090 ( 1202 PWs) bands (ev): 1.8544 1.8544 2.9197 2.9197 5.4176 5.4176 5.6028 5.6028 6.1586 6.1586 6.3900 6.3900 6.4975 6.4975 7.1344 7.1344 7.1772 7.1772 7.2738 7.2738 7.7022 7.7022 8.1510 8.1510 11.6775 11.6775 13.6023 13.6023 15.0184 15.0184 16.2198 16.2198 k = 0.5000 0.2887-0.0000 ( 1200 PWs) bands (ev): 1.8536 1.8536 2.9197 2.9197 5.4176 5.4176 5.6038 5.6038 6.1582 6.1582 6.3885 6.3885 6.4977 6.4977 7.1347 7.1347 7.1773 7.1773 7.2741 7.2741 7.7034 7.7034 8.1515 8.1515 11.6822 11.6822 13.6123 13.6123 15.0094 15.0094 16.2069 16.2069 k = 0.3333 0.5774-0.0000 ( 1188 PWs) bands (ev): 2.6197 2.6198 2.6198 2.6256 5.5441 5.5441 5.8870 5.8870 6.0506 6.1451 6.1854 6.1854 6.7202 6.7202 6.9769 6.9769 7.0545 7.0668 7.1508 7.1508 8.8404 8.8404 8.8968 8.9520 10.4400 10.4400 14.0809 14.0857 14.0979 14.0979 16.3148 16.3148 k = 0.3333 0.5774 0.0090 ( 1185 PWs) bands (ev): 2.6202 2.6203 2.6204 2.6261 5.5444 5.5444 5.8872 5.8872 6.0502 6.1445 6.1847 6.1847 6.7200 6.7200 6.9772 6.9772 7.0545 7.0668 7.1500 7.1500 8.8404 8.8404 8.8969 8.9520 10.4421 10.4421 14.0724 14.0774 14.0896 14.0896 16.3051 16.3051 k = 0.3333 0.5774 0.0179 ( 1191 PWs) bands (ev): 2.6217 2.6218 2.6218 2.6276 5.5454 5.5454 5.8874 5.8874 6.0485 6.1427 6.1824 6.1824 6.7196 6.7196 6.9780 6.9780 7.0545 7.0667 7.1475 7.1475 8.8402 8.8402 8.8970 8.9520 10.4484 10.4484 14.0473 14.0530 14.0650 14.0650 16.2766 16.2766 k = 0.3333 0.5774 0.0269 ( 1191 PWs) bands (ev): 2.6242 2.6243 2.6243 2.6301 5.5470 5.5470 5.8877 5.8877 6.0460 6.1396 6.1786 6.1786 6.7187 6.7187 6.9796 6.9796 7.0549 7.0670 7.1434 7.1434 8.8400 8.8400 8.8973 8.9520 10.4590 10.4590 14.0071 14.0137 14.0256 14.0256 16.2303 16.2303 k = 0.3333 0.5774 0.0358 ( 1191 PWs) bands (ev): 2.6276 2.6277 2.6277 2.6336 5.5492 5.5492 5.8881 5.8881 6.0424 6.1353 6.1733 6.1733 6.7176 6.7176 6.9818 6.9818 7.0553 7.0673 7.1378 7.1378 8.8397 8.8397 8.8977 8.9521 10.4736 10.4736 13.9537 13.9613 13.9732 13.9732 16.1678 16.1678 k = 0.3333 0.5774 0.0448 ( 1191 PWs) bands (ev): 2.6320 2.6321 2.6321 2.6380 5.5521 5.5521 5.8887 5.8887 6.0378 6.1299 6.1667 6.1667 6.7162 6.7162 6.9844 6.9844 7.0560 7.0677 7.1307 7.1307 8.8393 8.8393 8.8981 8.9522 10.4924 10.4924 13.8894 13.8982 13.9099 13.9099 16.0912 16.0912 k = 0.3333 0.5774 0.0537 ( 1191 PWs) bands (ev): 2.6374 2.6374 2.6374 2.6433 5.5556 5.5556 5.8893 5.8893 6.0323 6.1233 6.1587 6.1587 6.7144 6.7144 6.9875 6.9875 7.0567 7.0682 7.1223 7.1223 8.8389 8.8389 8.8987 8.9522 10.5152 10.5152 13.8165 13.8264 13.8380 13.8381 16.0026 16.0026 k = 0.3333 0.5774 0.0627 ( 1191 PWs) bands (ev): 2.6436 2.6436 2.6437 2.6495 5.5597 5.5597 5.8900 5.8900 6.0259 6.1156 6.1495 6.1495 6.7124 6.7124 6.9909 6.9909 7.0575 7.0687 7.1127 7.1127 8.8383 8.8383 8.8994 8.9523 10.5420 10.5420 13.7371 13.7480 13.7597 13.7597 15.9042 15.9042 k = 0.3333 0.5774 0.0716 ( 1191 PWs) bands (ev): 2.6507 2.6507 2.6507 2.6566 5.5645 5.5645 5.8907 5.8907 6.0186 6.1069 6.1392 6.1392 6.7101 6.7101 6.9944 6.9944 7.0584 7.0693 7.1021 7.1021 8.8377 8.8377 8.9002 8.9524 10.5726 10.5726 13.6532 13.6649 13.6766 13.6766 15.7977 15.7977 k = 0.3333 0.5774 0.0806 ( 1191 PWs) bands (ev): 2.6586 2.6586 2.6586 2.6645 5.5698 5.5698 5.8914 5.8914 6.0104 6.0972 6.1278 6.1278 6.7074 6.7074 6.9978 6.9978 7.0593 7.0699 7.0909 7.0909 8.8370 8.8370 8.9011 8.9525 10.6071 10.6071 13.5662 13.5786 13.5904 13.5904 15.6848 15.6848 k = 0.3333 0.5774 0.0896 ( 1191 PWs) bands (ev): 2.6672 2.6672 2.6673 2.6732 5.5757 5.5757 5.8921 5.8921 6.0015 6.0865 6.1155 6.1155 6.7045 6.7045 7.0005 7.0005 7.0603 7.0705 7.0796 7.0796 8.8363 8.8363 8.9021 8.9526 10.6452 10.6452 13.4776 13.4905 13.5024 13.5024 15.5670 15.5670 k = 0.3333 0.5774 0.0985 ( 1191 PWs) bands (ev): 2.6766 2.6766 2.6766 2.6826 5.5821 5.5821 5.8928 5.8928 5.9920 6.0750 6.1024 6.1024 6.7014 6.7014 7.0020 7.0020 7.0614 7.0689 7.0689 7.0712 8.8355 8.8355 8.9032 8.9526 10.6869 10.6869 13.3883 13.4016 13.4137 13.4137 15.4452 15.4452 k = 0.3333 0.5774 0.1075 ( 1188 PWs) bands (ev): 2.6866 2.6866 2.6867 2.6926 5.5891 5.5891 5.8933 5.8933 5.9818 6.0627 6.0887 6.0887 6.6980 6.6980 7.0009 7.0009 7.0603 7.0603 7.0626 7.0720 8.8347 8.8347 8.9044 8.9528 10.7320 10.7320 13.2995 13.3129 13.3253 13.3253 15.3206 15.3206 k = 0.3333 0.5774 0.1164 ( 1188 PWs) bands (ev): 2.6973 2.6973 2.6974 2.7033 5.5964 5.5964 5.8936 5.8936 5.9710 6.0498 6.0745 6.0746 6.6943 6.6943 6.9959 6.9959 7.0551 7.0551 7.0636 7.0726 8.8337 8.8337 8.9056 8.9528 10.7806 10.7806 13.2116 13.2251 13.2378 13.2378 15.1939 15.1939 k = 0.3333 0.5774 0.1254 ( 1188 PWs) bands (ev): 2.7084 2.7084 2.7085 2.7144 5.6044 5.6044 5.8937 5.8937 5.9597 6.0361 6.0600 6.0600 6.6904 6.6904 6.9865 6.9865 7.0537 7.0537 7.0647 7.0733 8.8328 8.8328 8.9070 8.9529 10.8324 10.8324 13.1255 13.1389 13.1519 13.1519 15.0658 15.0658 k = 0.3333 0.5774 0.1343 ( 1188 PWs) bands (ev): 2.7199 2.7199 2.7201 2.7260 5.6128 5.6128 5.8934 5.8934 5.9481 6.0219 6.0454 6.0454 6.6862 6.6862 6.9740 6.9740 7.0552 7.0552 7.0657 7.0739 8.8318 8.8318 8.9084 8.9529 10.8874 10.8874 13.0416 13.0548 13.0682 13.0682 14.9367 14.9367 k = 0.3333 0.5774 0.1433 ( 1188 PWs) bands (ev): 2.7318 2.7318 2.7321 2.7378 5.6216 5.6216 5.8926 5.8926 5.9361 6.0073 6.0308 6.0308 6.6818 6.6818 6.9596 6.9596 7.0583 7.0583 7.0667 7.0744 8.8308 8.8308 8.9099 8.9529 10.9454 10.9454 12.9602 12.9732 12.9869 12.9869 14.8073 14.8073 k = 0.3333 0.5774 0.1522 ( 1188 PWs) bands (ev): 2.7439 2.7440 2.7443 2.7500 5.6309 5.6309 5.8912 5.8912 5.9240 5.9923 6.0165 6.0165 6.6772 6.6772 6.9443 6.9443 7.0624 7.0624 7.0676 7.0749 8.8298 8.8298 8.9115 8.9529 11.0064 11.0064 12.8818 12.8944 12.9086 12.9086 14.6777 14.6777 k = 0.3333 0.5774 0.1612 ( 1200 PWs) bands (ev): 2.7562 2.7562 2.7566 2.7622 5.6404 5.6404 5.8888 5.8888 5.9116 5.9770 6.0027 6.0027 6.6723 6.6723 6.9281 6.9281 7.0667 7.0667 7.0684 7.0752 8.8287 8.8287 8.9130 8.9528 11.0703 11.0703 12.8066 12.8187 12.8333 12.8334 14.5484 14.5484 k = 0.3333 0.5774 0.1702 ( 1200 PWs) bands (ev): 2.7686 2.7686 2.7691 2.7746 5.6503 5.6503 5.8855 5.8855 5.8993 5.9616 5.9900 5.9900 6.6672 6.6672 6.9122 6.9122 7.0692 7.0713 7.0714 7.0757 8.8277 8.8277 8.9147 8.9528 11.1370 11.1370 12.7349 12.7465 12.7616 12.7616 14.4195 14.4195 k = 0.3333 0.5774 0.1791 ( 1200 PWs) bands (ev): 2.7810 2.7810 2.7815 2.7869 5.6604 5.6604 5.8810 5.8810 5.8871 5.9463 5.9784 5.9784 6.6619 6.6619 6.8966 6.8966 7.0700 7.0760 7.0761 7.0761 8.8266 8.8266 8.9165 8.9526 11.2065 11.2065 12.6669 12.6779 12.6935 12.6935 14.2914 14.2914 k = 0.3333 0.5774 0.1881 ( 1200 PWs) bands (ev): 2.7932 2.7932 2.7939 2.7991 5.6708 5.6708 5.8751 5.8751 5.8752 5.9310 5.9683 5.9683 6.6564 6.6564 6.8814 6.8814 7.0707 7.0763 7.0807 7.0807 8.8256 8.8256 8.9182 8.9525 11.2785 11.2785 12.6027 12.6131 12.6292 12.6292 14.1642 14.1642 k = 0.3333 0.5774 0.1970 ( 1188 PWs) bands (ev): 2.8054 2.8054 2.8062 2.8111 5.6815 5.6815 5.8637 5.8680 5.8680 5.9161 5.9598 5.9598 6.6509 6.6509 6.8670 6.8670 7.0715 7.0767 7.0854 7.0854 8.8246 8.8246 8.9201 8.9523 11.3532 11.3532 12.5425 12.5523 12.5689 12.5689 14.0380 14.0380 k = 0.3333 0.5774 0.2060 ( 1188 PWs) bands (ev): 2.8170 2.8171 2.8180 2.8227 5.6920 5.6920 5.8525 5.8596 5.8596 5.9014 5.9527 5.9527 6.6452 6.6452 6.8532 6.8532 7.0721 7.0769 7.0897 7.0897 8.8237 8.8237 8.9219 8.9520 11.4304 11.4304 12.4865 12.4956 12.5127 12.5127 13.9129 13.9129 k = 0.3333 0.5774 0.2149 ( 1188 PWs) bands (ev): 2.8283 2.8283 2.8294 2.8339 5.7025 5.7025 5.8419 5.8503 5.8503 5.8871 5.9467 5.9467 6.6394 6.6394 6.8403 6.8403 7.0727 7.0771 7.0937 7.0937 8.8227 8.8227 8.9237 8.9516 11.5099 11.5099 12.4346 12.4430 12.4606 12.4606 13.7892 13.7892 k = 0.3333 0.5774 0.2239 ( 1185 PWs) bands (ev): 2.8390 2.8390 2.8402 2.8444 5.7129 5.7129 5.8320 5.8407 5.8407 5.8734 5.9417 5.9417 6.6336 6.6336 6.8283 6.8283 7.0733 7.0773 7.0976 7.0976 8.8219 8.8219 8.9256 8.9512 11.5919 11.5919 12.3871 12.3947 12.4129 12.4129 13.6668 13.6668 k = 0.3333 0.5774 0.2328 ( 1185 PWs) bands (ev): 2.8491 2.8491 2.8505 2.8544 5.7230 5.7230 5.8228 5.8310 5.8310 5.8603 5.9373 5.9373 6.6279 6.6279 6.8175 6.8175 7.0737 7.0773 7.1011 7.1011 8.8210 8.8210 8.9274 8.9507 11.6762 11.6762 12.3439 12.3508 12.3695 12.3695 13.5459 13.5459 k = 0.3333 0.5774 0.2418 ( 1185 PWs) bands (ev): 2.8584 2.8584 2.8599 2.8635 5.7327 5.7327 5.8145 5.8216 5.8216 5.8481 5.9333 5.9333 6.6223 6.6223 6.8077 6.8077 7.0742 7.0773 7.1043 7.1043 8.8203 8.8203 8.9293 8.9501 11.7628 11.7628 12.3052 12.3114 12.3306 12.3306 13.4265 13.4265 k = 0.3333 0.5774 0.2508 ( 1182 PWs) bands (ev): 2.8668 2.8669 2.8686 2.8718 5.7420 5.7420 5.8071 5.8128 5.8128 5.8367 5.9298 5.9298 6.6171 6.6171 6.7992 6.7992 7.0747 7.0774 7.1072 7.1072 8.8196 8.8196 8.9311 8.9494 11.8516 11.8516 12.2710 12.2764 12.2961 12.2961 13.3087 13.3087 k = 0.3333 0.5774 0.2597 ( 1182 PWs) bands (ev): 2.8744 2.8744 2.8763 2.8791 5.7506 5.7506 5.8009 5.8049 5.8049 5.8264 5.9264 5.9264 6.6122 6.6122 6.7918 6.7918 7.0748 7.0772 7.1095 7.1095 8.8190 8.8190 8.9329 8.9487 11.9426 11.9426 12.2413 12.2459 12.2662 12.2662 13.1926 13.1926 k = 0.3333 0.5774 0.2687 ( 1182 PWs) bands (ev): 2.8808 2.8809 2.8830 2.8854 5.7581 5.7581 5.7958 5.7982 5.7982 5.8172 5.9234 5.9234 6.6078 6.6078 6.7856 6.7856 7.0751 7.0771 7.1116 7.1116 8.8185 8.8185 8.9346 8.9479 12.0356 12.0356 12.2162 12.2201 12.2409 12.2409 13.0782 13.0782 k = 0.3333 0.5774 0.2776 ( 1182 PWs) bands (ev): 2.8863 2.8863 2.8887 2.8906 5.7644 5.7644 5.7919 5.7929 5.7929 5.8091 5.9206 5.9206 6.6040 6.6040 6.7805 6.7805 7.0753 7.0769 7.1133 7.1133 8.8180 8.8180 8.9362 8.9469 12.1306 12.1306 12.1957 12.1988 12.2204 12.2204 12.9656 12.9656 k = 0.3333 0.5774 0.2866 ( 1182 PWs) bands (ev): 2.8906 2.8906 2.8932 2.8947 5.7688 5.7688 5.7893 5.7894 5.7894 5.8022 5.9182 5.9182 6.6009 6.6009 6.7766 6.7766 7.0756 7.0768 7.1147 7.1147 8.8176 8.8176 8.9379 8.9459 12.1798 12.1821 12.2018 12.2018 12.2302 12.2302 12.8547 12.8547 k = 0.3333 0.5774 0.2955 ( 1188 PWs) bands (ev): 2.8936 2.8936 2.8964 2.8974 5.7710 5.7710 5.7878 5.7878 5.7880 5.7966 5.9163 5.9163 6.5986 6.5986 6.7737 6.7737 7.0758 7.0766 7.1156 7.1156 8.8174 8.8174 8.9394 8.9448 12.1685 12.1701 12.1917 12.1917 12.3280 12.3280 12.7458 12.7458 k = 0.3333 0.5774 0.3045 ( 1188 PWs) bands (ev): 2.8954 2.8955 2.8986 2.8991 5.7717 5.7717 5.7877 5.7877 5.7880 5.7924 5.9151 5.9151 6.5973 6.5973 6.7721 6.7721 7.0760 7.0764 7.1162 7.1162 8.8172 8.8172 8.9409 8.9435 12.1619 12.1627 12.1848 12.1848 12.4288 12.4288 12.6390 12.6390 k = 0.3333 0.5774 0.3134 ( 1188 PWs) bands (ev): 2.8961 2.8961 2.8994 2.8994 5.7718 5.7718 5.7878 5.7878 5.7895 5.7895 5.9147 5.9147 6.5968 6.5968 6.7715 6.7715 7.0762 7.0762 7.1164 7.1164 8.8172 8.8172 8.9422 8.9422 12.1600 12.1600 12.1825 12.1825 12.5200 12.5200 12.5459 12.5459 Writing output data file CuH.save init_run : 2.15s CPU 13.19s WALL ( 1 calls) electrons : 150.77s CPU 154.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 150.71s CPU 154.43s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.86s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.14s CPU 0.56s WALL ( 1 calls) newd : 0.25s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.21s WALL ( 460 calls) cegterg : 128.90s CPU 129.78s WALL ( 470 calls) Called by sum_band: Called by *egterg: h_psi : 52.71s CPU 56.14s WALL ( 7919 calls) s_psi : 5.79s CPU 6.37s WALL ( 7919 calls) g_psi : 0.04s CPU 0.10s WALL ( 6989 calls) cdiaghg : 55.56s CPU 54.58s WALL ( 7449 calls) cegterg:over : 12.41s CPU 10.64s WALL ( 6989 calls) cegterg:upda : 0.45s CPU 1.33s WALL ( 6989 calls) cegterg:last : 0.58s CPU 0.97s WALL ( 1390 calls) Called by h_psi: h_psi:vloc : 41.21s CPU 44.35s WALL ( 7919 calls) h_psi:vnl : 11.47s CPU 11.69s WALL ( 7919 calls) add_vuspsi : 2.35s CPU 4.46s WALL ( 7919 calls) General routines calbec : 9.11s CPU 7.17s WALL ( 7919 calls) fft : 0.19s CPU 1.22s WALL ( 19 calls) ffts : 0.01s CPU 0.03s WALL ( 4 calls) fftw : 39.86s CPU 42.78s WALL ( 625988 calls) interpolate : 0.08s CPU 0.12s WALL ( 4 calls) davcio : 0.02s CPU 1.34s WALL ( 920 calls) Parallel routines fft_scatter : 31.01s CPU 32.56s WALL ( 626011 calls) PWSCF : 3m 3.43s CPU 4m 8.62s WALL This run was terminated on: 4:10:54 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=