Program PWSCF v.5.1.1 starts on 16Jul2015 at 17:38:28 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./LiB.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 22 6 1803 858 142 Max 36 23 7 1814 891 149 Sum 1147 713 217 57937 28015 4693 bravais-lattice index = 14 lattice parameter (alat) = 5.8619 a.u. unit-cell volume = 585.6362 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.861930 celldm(2)= 1.295616 celldm(3)= 2.244036 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.295616 0.000000 ) a(3) = ( 0.000000 0.000000 2.244036 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.771834 -0.000000 ) b(3) = ( 0.000000 0.000000 0.445626 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-sl-rrkjus_psl.1.0.0.UPF MD5 check sum: 42a5b1a926f6369f3011008fc0e1d799 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) B 3.00 10.81100 B( 1.00) 4 Sym. Ops., with inversion, found (note: 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 468 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 2) = ( 0.0098039 -0.0000000 -0.0000000), wk = 0.0021368 k( 3) = ( 0.0196078 -0.0000000 -0.0000000), wk = 0.0021368 k( 4) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0021368 k( 5) = ( 0.0392157 -0.0000000 -0.0000000), wk = 0.0021368 k( 6) = ( 0.0490196 -0.0000000 -0.0000000), wk = 0.0021368 k( 7) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0021368 k( 8) = ( 0.0686275 -0.0000000 -0.0000000), wk = 0.0021368 k( 9) = ( 0.0784314 -0.0000000 -0.0000000), wk = 0.0021368 k( 10) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0021368 k( 11) = ( 0.0980392 -0.0000000 -0.0000000), wk = 0.0021368 k( 12) = ( 0.1078431 -0.0000000 -0.0000000), wk = 0.0021368 k( 13) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0021368 k( 14) = ( 0.1274510 -0.0000000 -0.0000000), wk = 0.0021368 k( 15) = ( 0.1372549 -0.0000000 -0.0000000), wk = 0.0021368 k( 16) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0021368 k( 17) = ( 0.1568627 -0.0000000 -0.0000000), wk = 0.0021368 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0021368 k( 19) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0021368 k( 20) = ( 0.1862745 -0.0000000 -0.0000000), wk = 0.0021368 k( 21) = ( 0.1960784 -0.0000000 -0.0000000), wk = 0.0021368 k( 22) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0021368 k( 23) = ( 0.2156863 -0.0000000 -0.0000000), wk = 0.0021368 k( 24) = ( 0.2254902 -0.0000000 -0.0000000), wk = 0.0021368 k( 25) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0021368 k( 26) = ( 0.2450980 -0.0000000 -0.0000000), wk = 0.0021368 k( 27) = ( 0.2549020 -0.0000000 -0.0000000), wk = 0.0021368 k( 28) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0021368 k( 29) = ( 0.2745098 -0.0000000 -0.0000000), wk = 0.0021368 k( 30) = ( 0.2843137 -0.0000000 -0.0000000), wk = 0.0021368 k( 31) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0021368 k( 32) = ( 0.3039216 -0.0000000 -0.0000000), wk = 0.0021368 k( 33) = ( 0.3137255 -0.0000000 -0.0000000), wk = 0.0021368 k( 34) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0021368 k( 35) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0021368 k( 36) = ( 0.3431373 -0.0000000 -0.0000000), wk = 0.0021368 k( 37) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0021368 k( 38) = ( 0.3627451 -0.0000000 -0.0000000), wk = 0.0021368 k( 39) = ( 0.3725490 -0.0000000 -0.0000000), wk = 0.0021368 k( 40) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0021368 k( 41) = ( 0.3921569 -0.0000000 -0.0000000), wk = 0.0021368 k( 42) = ( 0.4019608 -0.0000000 -0.0000000), wk = 0.0021368 k( 43) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0021368 k( 44) = ( 0.4215686 -0.0000000 -0.0000000), wk = 0.0021368 k( 45) = ( 0.4313726 -0.0000000 -0.0000000), wk = 0.0021368 k( 46) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0021368 k( 47) = ( 0.4509804 -0.0000000 -0.0000000), wk = 0.0021368 k( 48) = ( 0.4607843 -0.0000000 -0.0000000), wk = 0.0021368 k( 49) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0021368 k( 50) = ( 0.4803922 -0.0000000 -0.0000000), wk = 0.0021368 k( 51) = ( 0.4901961 -0.0000000 -0.0000000), wk = 0.0021368 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021368 k( 53) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021368 k( 54) = ( 0.5000000 0.0096479 -0.0000000), wk = 0.0021368 k( 55) = ( 0.5000000 0.0192958 -0.0000000), wk = 0.0021368 k( 56) = ( 0.5000000 0.0289438 -0.0000000), wk = 0.0021368 k( 57) = ( 0.5000000 0.0385917 -0.0000000), wk = 0.0021368 k( 58) = ( 0.5000000 0.0482396 -0.0000000), wk = 0.0021368 k( 59) = ( 0.5000000 0.0578875 -0.0000000), wk = 0.0021368 k( 60) = ( 0.5000000 0.0675355 -0.0000000), wk = 0.0021368 k( 61) = ( 0.5000000 0.0771834 -0.0000000), wk = 0.0021368 k( 62) = ( 0.5000000 0.0868313 -0.0000000), wk = 0.0021368 k( 63) = ( 0.5000000 0.0964792 -0.0000000), wk = 0.0021368 k( 64) = ( 0.5000000 0.1061271 -0.0000000), wk = 0.0021368 k( 65) = ( 0.5000000 0.1157751 -0.0000000), wk = 0.0021368 k( 66) = ( 0.5000000 0.1254230 -0.0000000), wk = 0.0021368 k( 67) = ( 0.5000000 0.1350709 -0.0000000), wk = 0.0021368 k( 68) = ( 0.5000000 0.1447188 -0.0000000), wk = 0.0021368 k( 69) = ( 0.5000000 0.1543668 -0.0000000), wk = 0.0021368 k( 70) = ( 0.5000000 0.1640147 -0.0000000), wk = 0.0021368 k( 71) = ( 0.5000000 0.1736626 -0.0000000), wk = 0.0021368 k( 72) = ( 0.5000000 0.1833105 -0.0000000), wk = 0.0021368 k( 73) = ( 0.5000000 0.1929584 -0.0000000), wk = 0.0021368 k( 74) = ( 0.5000000 0.2026064 -0.0000000), wk = 0.0021368 k( 75) = ( 0.5000000 0.2122543 -0.0000000), wk = 0.0021368 k( 76) = ( 0.5000000 0.2219022 -0.0000000), wk = 0.0021368 k( 77) = ( 0.5000000 0.2315501 -0.0000000), wk = 0.0021368 k( 78) = ( 0.5000000 0.2411981 -0.0000000), wk = 0.0021368 k( 79) = ( 0.5000000 0.2508460 -0.0000000), wk = 0.0021368 k( 80) = ( 0.5000000 0.2604939 -0.0000000), wk = 0.0021368 k( 81) = ( 0.5000000 0.2701418 -0.0000000), wk = 0.0021368 k( 82) = ( 0.5000000 0.2797897 -0.0000000), wk = 0.0021368 k( 83) = ( 0.5000000 0.2894377 -0.0000000), wk = 0.0021368 k( 84) = ( 0.5000000 0.2990856 -0.0000000), wk = 0.0021368 k( 85) = ( 0.5000000 0.3087335 -0.0000000), wk = 0.0021368 k( 86) = ( 0.5000000 0.3183814 -0.0000000), wk = 0.0021368 k( 87) = ( 0.5000000 0.3280294 -0.0000000), wk = 0.0021368 k( 88) = ( 0.5000000 0.3376773 -0.0000000), wk = 0.0021368 k( 89) = ( 0.5000000 0.3473252 -0.0000000), wk = 0.0021368 k( 90) = ( 0.5000000 0.3569731 -0.0000000), wk = 0.0021368 k( 91) = ( 0.5000000 0.3666211 -0.0000000), wk = 0.0021368 k( 92) = ( 0.5000000 0.3762690 -0.0000000), wk = 0.0021368 k( 93) = ( 0.5000000 0.3859169 -0.0000000), wk = 0.0021368 k( 94) = ( 0.5000000 0.3859169 -0.0000000), wk = 0.0021368 k( 95) = ( 0.4901961 0.3859169 -0.0000000), wk = 0.0021368 k( 96) = ( 0.4803922 0.3859169 -0.0000000), wk = 0.0021368 k( 97) = ( 0.4705882 0.3859169 -0.0000000), wk = 0.0021368 k( 98) = ( 0.4607843 0.3859169 -0.0000000), wk = 0.0021368 k( 99) = ( 0.4509804 0.3859169 -0.0000000), wk = 0.0021368 k( 100) = ( 0.4411765 0.3859169 -0.0000000), wk = 0.0021368 k( 101) = ( 0.4313726 0.3859169 -0.0000000), wk = 0.0021368 k( 102) = ( 0.4215686 0.3859169 -0.0000000), wk = 0.0021368 k( 103) = ( 0.4117647 0.3859169 -0.0000000), wk = 0.0021368 k( 104) = ( 0.4019608 0.3859169 -0.0000000), wk = 0.0021368 k( 105) = ( 0.3921569 0.3859169 -0.0000000), wk = 0.0021368 k( 106) = ( 0.3823529 0.3859169 -0.0000000), wk = 0.0021368 k( 107) = ( 0.3725490 0.3859169 -0.0000000), wk = 0.0021368 k( 108) = ( 0.3627451 0.3859169 -0.0000000), wk = 0.0021368 k( 109) = ( 0.3529412 0.3859169 -0.0000000), wk = 0.0021368 k( 110) = ( 0.3431373 0.3859169 -0.0000000), wk = 0.0021368 k( 111) = ( 0.3333333 0.3859169 -0.0000000), wk = 0.0021368 k( 112) = ( 0.3235294 0.3859169 -0.0000000), wk = 0.0021368 k( 113) = ( 0.3137255 0.3859169 -0.0000000), wk = 0.0021368 k( 114) = ( 0.3039216 0.3859169 -0.0000000), wk = 0.0021368 k( 115) = ( 0.2941177 0.3859169 -0.0000000), wk = 0.0021368 k( 116) = ( 0.2843137 0.3859169 -0.0000000), wk = 0.0021368 k( 117) = ( 0.2745098 0.3859169 -0.0000000), wk = 0.0021368 k( 118) = ( 0.2647059 0.3859169 -0.0000000), wk = 0.0021368 k( 119) = ( 0.2549020 0.3859169 -0.0000000), wk = 0.0021368 k( 120) = ( 0.2450980 0.3859169 -0.0000000), wk = 0.0021368 k( 121) = ( 0.2352941 0.3859169 -0.0000000), wk = 0.0021368 k( 122) = ( 0.2254902 0.3859169 -0.0000000), wk = 0.0021368 k( 123) = ( 0.2156863 0.3859169 -0.0000000), wk = 0.0021368 k( 124) = ( 0.2058823 0.3859169 -0.0000000), wk = 0.0021368 k( 125) = ( 0.1960784 0.3859169 -0.0000000), wk = 0.0021368 k( 126) = ( 0.1862745 0.3859169 -0.0000000), wk = 0.0021368 k( 127) = ( 0.1764706 0.3859169 -0.0000000), wk = 0.0021368 k( 128) = ( 0.1666667 0.3859169 -0.0000000), wk = 0.0021368 k( 129) = ( 0.1568627 0.3859169 -0.0000000), wk = 0.0021368 k( 130) = ( 0.1470588 0.3859169 -0.0000000), wk = 0.0021368 k( 131) = ( 0.1372549 0.3859169 -0.0000000), wk = 0.0021368 k( 132) = ( 0.1274510 0.3859169 -0.0000000), wk = 0.0021368 k( 133) = ( 0.1176471 0.3859169 -0.0000000), wk = 0.0021368 k( 134) = ( 0.1078431 0.3859169 -0.0000000), wk = 0.0021368 k( 135) = ( 0.0980392 0.3859169 -0.0000000), wk = 0.0021368 k( 136) = ( 0.0882353 0.3859169 -0.0000000), wk = 0.0021368 k( 137) = ( 0.0784314 0.3859169 -0.0000000), wk = 0.0021368 k( 138) = ( 0.0686275 0.3859169 -0.0000000), wk = 0.0021368 k( 139) = ( 0.0588235 0.3859169 -0.0000000), wk = 0.0021368 k( 140) = ( 0.0490196 0.3859169 -0.0000000), wk = 0.0021368 k( 141) = ( 0.0392157 0.3859169 -0.0000000), wk = 0.0021368 k( 142) = ( 0.0294118 0.3859169 -0.0000000), wk = 0.0021368 k( 143) = ( 0.0196078 0.3859169 -0.0000000), wk = 0.0021368 k( 144) = ( 0.0098039 0.3859169 -0.0000000), wk = 0.0021368 k( 145) = ( 0.0000000 0.3859169 -0.0000000), wk = 0.0021368 k( 146) = ( 0.0000000 0.3859169 -0.0000000), wk = 0.0021368 k( 147) = ( 0.0000000 0.3762690 -0.0000000), wk = 0.0021368 k( 148) = ( 0.0000000 0.3666211 -0.0000000), wk = 0.0021368 k( 149) = ( 0.0000000 0.3569731 -0.0000000), wk = 0.0021368 k( 150) = ( 0.0000000 0.3473252 -0.0000000), wk = 0.0021368 k( 151) = ( 0.0000000 0.3376773 -0.0000000), wk = 0.0021368 k( 152) = ( 0.0000000 0.3280294 -0.0000000), wk = 0.0021368 k( 153) = ( 0.0000000 0.3183814 -0.0000000), wk = 0.0021368 k( 154) = ( 0.0000000 0.3087335 -0.0000000), wk = 0.0021368 k( 155) = ( 0.0000000 0.2990856 -0.0000000), wk = 0.0021368 k( 156) = ( 0.0000000 0.2894377 -0.0000000), wk = 0.0021368 k( 157) = ( 0.0000000 0.2797897 -0.0000000), wk = 0.0021368 k( 158) = ( 0.0000000 0.2701418 -0.0000000), wk = 0.0021368 k( 159) = ( 0.0000000 0.2604939 -0.0000000), wk = 0.0021368 k( 160) = ( 0.0000000 0.2508460 -0.0000000), wk = 0.0021368 k( 161) = ( 0.0000000 0.2411981 -0.0000000), wk = 0.0021368 k( 162) = ( 0.0000000 0.2315501 -0.0000000), wk = 0.0021368 k( 163) = ( 0.0000000 0.2219022 -0.0000000), wk = 0.0021368 k( 164) = ( 0.0000000 0.2122543 -0.0000000), wk = 0.0021368 k( 165) = ( 0.0000000 0.2026064 -0.0000000), wk = 0.0021368 k( 166) = ( 0.0000000 0.1929584 -0.0000000), wk = 0.0021368 k( 167) = ( 0.0000000 0.1833105 -0.0000000), wk = 0.0021368 k( 168) = ( 0.0000000 0.1736626 -0.0000000), wk = 0.0021368 k( 169) = ( 0.0000000 0.1640147 -0.0000000), wk = 0.0021368 k( 170) = ( 0.0000000 0.1543668 -0.0000000), wk = 0.0021368 k( 171) = ( 0.0000000 0.1447188 -0.0000000), wk = 0.0021368 k( 172) = ( 0.0000000 0.1350709 -0.0000000), wk = 0.0021368 k( 173) = ( 0.0000000 0.1254230 -0.0000000), wk = 0.0021368 k( 174) = ( 0.0000000 0.1157751 -0.0000000), wk = 0.0021368 k( 175) = ( 0.0000000 0.1061271 -0.0000000), wk = 0.0021368 k( 176) = ( 0.0000000 0.0964792 -0.0000000), wk = 0.0021368 k( 177) = ( 0.0000000 0.0868313 -0.0000000), wk = 0.0021368 k( 178) = ( 0.0000000 0.0771834 -0.0000000), wk = 0.0021368 k( 179) = ( 0.0000000 0.0675355 -0.0000000), wk = 0.0021368 k( 180) = ( 0.0000000 0.0578875 -0.0000000), wk = 0.0021368 k( 181) = ( 0.0000000 0.0482396 -0.0000000), wk = 0.0021368 k( 182) = ( 0.0000000 0.0385917 -0.0000000), wk = 0.0021368 k( 183) = ( 0.0000000 0.0289438 -0.0000000), wk = 0.0021368 k( 184) = ( 0.0000000 0.0192958 -0.0000000), wk = 0.0021368 k( 185) = ( 0.0000000 0.0096479 -0.0000000), wk = 0.0021368 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 188) = ( 0.0000000 0.0000000 0.0096875), wk = 0.0021368 k( 189) = ( 0.0000000 0.0000000 0.0193750), wk = 0.0021368 k( 190) = ( 0.0000000 0.0000000 0.0290625), wk = 0.0021368 k( 191) = ( 0.0000000 0.0000000 0.0387501), wk = 0.0021368 k( 192) = ( 0.0000000 0.0000000 0.0484376), wk = 0.0021368 k( 193) = ( 0.0000000 0.0000000 0.0581251), wk = 0.0021368 k( 194) = ( 0.0000000 0.0000000 0.0678126), wk = 0.0021368 k( 195) = ( 0.0000000 0.0000000 0.0775001), wk = 0.0021368 k( 196) = ( 0.0000000 0.0000000 0.0871876), wk = 0.0021368 k( 197) = ( 0.0000000 0.0000000 0.0968751), wk = 0.0021368 k( 198) = ( 0.0000000 0.0000000 0.1065626), wk = 0.0021368 k( 199) = ( 0.0000000 0.0000000 0.1162502), wk = 0.0021368 k( 200) = ( 0.0000000 0.0000000 0.1259377), wk = 0.0021368 k( 201) = ( 0.0000000 0.0000000 0.1356252), wk = 0.0021368 k( 202) = ( 0.0000000 0.0000000 0.1453127), wk = 0.0021368 k( 203) = ( 0.0000000 0.0000000 0.1550002), wk = 0.0021368 k( 204) = ( 0.0000000 0.0000000 0.1646877), wk = 0.0021368 k( 205) = ( 0.0000000 0.0000000 0.1743752), wk = 0.0021368 k( 206) = ( 0.0000000 0.0000000 0.1840628), wk = 0.0021368 k( 207) = ( 0.0000000 0.0000000 0.1937503), wk = 0.0021368 k( 208) = ( 0.0000000 0.0000000 0.2034378), wk = 0.0021368 k( 209) = ( 0.0000000 0.0000000 0.2131253), wk = 0.0021368 k( 210) = ( 0.0000000 0.0000000 0.2228128), wk = 0.0021368 k( 211) = ( 0.0000000 0.0000000 0.2228128), wk = 0.0021368 k( 212) = ( 0.0098039 -0.0000000 0.2228128), wk = 0.0021368 k( 213) = ( 0.0196078 -0.0000000 0.2228128), wk = 0.0021368 k( 214) = ( 0.0294118 -0.0000000 0.2228128), wk = 0.0021368 k( 215) = ( 0.0392157 -0.0000000 0.2228128), wk = 0.0021368 k( 216) = ( 0.0490196 -0.0000000 0.2228128), wk = 0.0021368 k( 217) = ( 0.0588235 -0.0000000 0.2228128), wk = 0.0021368 k( 218) = ( 0.0686275 -0.0000000 0.2228128), wk = 0.0021368 k( 219) = ( 0.0784314 -0.0000000 0.2228128), wk = 0.0021368 k( 220) = ( 0.0882353 -0.0000000 0.2228128), wk = 0.0021368 k( 221) = ( 0.0980392 -0.0000000 0.2228128), wk = 0.0021368 k( 222) = ( 0.1078431 -0.0000000 0.2228128), wk = 0.0021368 k( 223) = ( 0.1176471 -0.0000000 0.2228128), wk = 0.0021368 k( 224) = ( 0.1274510 -0.0000000 0.2228128), wk = 0.0021368 k( 225) = ( 0.1372549 -0.0000000 0.2228128), wk = 0.0021368 k( 226) = ( 0.1470588 -0.0000000 0.2228128), wk = 0.0021368 k( 227) = ( 0.1568627 -0.0000000 0.2228128), wk = 0.0021368 k( 228) = ( 0.1666667 -0.0000000 0.2228128), wk = 0.0021368 k( 229) = ( 0.1764706 -0.0000000 0.2228128), wk = 0.0021368 k( 230) = ( 0.1862745 -0.0000000 0.2228128), wk = 0.0021368 k( 231) = ( 0.1960784 -0.0000000 0.2228128), wk = 0.0021368 k( 232) = ( 0.2058823 -0.0000000 0.2228128), wk = 0.0021368 k( 233) = ( 0.2156863 -0.0000000 0.2228128), wk = 0.0021368 k( 234) = ( 0.2254902 -0.0000000 0.2228128), wk = 0.0021368 k( 235) = ( 0.2352941 -0.0000000 0.2228128), wk = 0.0021368 k( 236) = ( 0.2450980 -0.0000000 0.2228128), wk = 0.0021368 k( 237) = ( 0.2549020 -0.0000000 0.2228128), wk = 0.0021368 k( 238) = ( 0.2647059 -0.0000000 0.2228128), wk = 0.0021368 k( 239) = ( 0.2745098 -0.0000000 0.2228128), wk = 0.0021368 k( 240) = ( 0.2843137 -0.0000000 0.2228128), wk = 0.0021368 k( 241) = ( 0.2941177 -0.0000000 0.2228128), wk = 0.0021368 k( 242) = ( 0.3039216 -0.0000000 0.2228128), wk = 0.0021368 k( 243) = ( 0.3137255 -0.0000000 0.2228128), wk = 0.0021368 k( 244) = ( 0.3235294 -0.0000000 0.2228128), wk = 0.0021368 k( 245) = ( 0.3333333 -0.0000000 0.2228128), wk = 0.0021368 k( 246) = ( 0.3431373 -0.0000000 0.2228128), wk = 0.0021368 k( 247) = ( 0.3529412 -0.0000000 0.2228128), wk = 0.0021368 k( 248) = ( 0.3627451 -0.0000000 0.2228128), wk = 0.0021368 k( 249) = ( 0.3725490 -0.0000000 0.2228128), wk = 0.0021368 k( 250) = ( 0.3823529 -0.0000000 0.2228128), wk = 0.0021368 k( 251) = ( 0.3921569 -0.0000000 0.2228128), wk = 0.0021368 k( 252) = ( 0.4019608 -0.0000000 0.2228128), wk = 0.0021368 k( 253) = ( 0.4117647 -0.0000000 0.2228128), wk = 0.0021368 k( 254) = ( 0.4215686 -0.0000000 0.2228128), wk = 0.0021368 k( 255) = ( 0.4313726 -0.0000000 0.2228128), wk = 0.0021368 k( 256) = ( 0.4411765 -0.0000000 0.2228128), wk = 0.0021368 k( 257) = ( 0.4509804 -0.0000000 0.2228128), wk = 0.0021368 k( 258) = ( 0.4607843 -0.0000000 0.2228128), wk = 0.0021368 k( 259) = ( 0.4705882 -0.0000000 0.2228128), wk = 0.0021368 k( 260) = ( 0.4803922 -0.0000000 0.2228128), wk = 0.0021368 k( 261) = ( 0.4901961 -0.0000000 0.2228128), wk = 0.0021368 k( 262) = ( 0.5000000 -0.0000000 0.2228128), wk = 0.0021368 k( 263) = ( 0.5000000 -0.0000000 0.2228128), wk = 0.0021368 k( 264) = ( 0.5000000 0.0096479 0.2228128), wk = 0.0021368 k( 265) = ( 0.5000000 0.0192958 0.2228128), wk = 0.0021368 k( 266) = ( 0.5000000 0.0289438 0.2228128), wk = 0.0021368 k( 267) = ( 0.5000000 0.0385917 0.2228128), wk = 0.0021368 k( 268) = ( 0.5000000 0.0482396 0.2228128), wk = 0.0021368 k( 269) = ( 0.5000000 0.0578875 0.2228128), wk = 0.0021368 k( 270) = ( 0.5000000 0.0675355 0.2228128), wk = 0.0021368 k( 271) = ( 0.5000000 0.0771834 0.2228128), wk = 0.0021368 k( 272) = ( 0.5000000 0.0868313 0.2228128), wk = 0.0021368 k( 273) = ( 0.5000000 0.0964792 0.2228128), wk = 0.0021368 k( 274) = ( 0.5000000 0.1061271 0.2228128), wk = 0.0021368 k( 275) = ( 0.5000000 0.1157751 0.2228128), wk = 0.0021368 k( 276) = ( 0.5000000 0.1254230 0.2228128), wk = 0.0021368 k( 277) = ( 0.5000000 0.1350709 0.2228128), wk = 0.0021368 k( 278) = ( 0.5000000 0.1447188 0.2228128), wk = 0.0021368 k( 279) = ( 0.5000000 0.1543668 0.2228128), wk = 0.0021368 k( 280) = ( 0.5000000 0.1640147 0.2228128), wk = 0.0021368 k( 281) = ( 0.5000000 0.1736626 0.2228128), wk = 0.0021368 k( 282) = ( 0.5000000 0.1833105 0.2228128), wk = 0.0021368 k( 283) = ( 0.5000000 0.1929584 0.2228128), wk = 0.0021368 k( 284) = ( 0.5000000 0.2026064 0.2228128), wk = 0.0021368 k( 285) = ( 0.5000000 0.2122543 0.2228128), wk = 0.0021368 k( 286) = ( 0.5000000 0.2219022 0.2228128), wk = 0.0021368 k( 287) = ( 0.5000000 0.2315501 0.2228128), wk = 0.0021368 k( 288) = ( 0.5000000 0.2411981 0.2228128), wk = 0.0021368 k( 289) = ( 0.5000000 0.2508460 0.2228128), wk = 0.0021368 k( 290) = ( 0.5000000 0.2604939 0.2228128), wk = 0.0021368 k( 291) = ( 0.5000000 0.2701418 0.2228128), wk = 0.0021368 k( 292) = ( 0.5000000 0.2797897 0.2228128), wk = 0.0021368 k( 293) = ( 0.5000000 0.2894377 0.2228128), wk = 0.0021368 k( 294) = ( 0.5000000 0.2990856 0.2228128), wk = 0.0021368 k( 295) = ( 0.5000000 0.3087335 0.2228128), wk = 0.0021368 k( 296) = ( 0.5000000 0.3183814 0.2228128), wk = 0.0021368 k( 297) = ( 0.5000000 0.3280294 0.2228128), wk = 0.0021368 k( 298) = ( 0.5000000 0.3376773 0.2228128), wk = 0.0021368 k( 299) = ( 0.5000000 0.3473252 0.2228128), wk = 0.0021368 k( 300) = ( 0.5000000 0.3569731 0.2228128), wk = 0.0021368 k( 301) = ( 0.5000000 0.3666211 0.2228128), wk = 0.0021368 k( 302) = ( 0.5000000 0.3762690 0.2228128), wk = 0.0021368 k( 303) = ( 0.5000000 0.3859169 0.2228128), wk = 0.0021368 k( 304) = ( 0.5000000 0.3859169 0.2228128), wk = 0.0021368 k( 305) = ( 0.4901961 0.3859169 0.2228128), wk = 0.0021368 k( 306) = ( 0.4803922 0.3859169 0.2228128), wk = 0.0021368 k( 307) = ( 0.4705882 0.3859169 0.2228128), wk = 0.0021368 k( 308) = ( 0.4607843 0.3859169 0.2228128), wk = 0.0021368 k( 309) = ( 0.4509804 0.3859169 0.2228128), wk = 0.0021368 k( 310) = ( 0.4411765 0.3859169 0.2228128), wk = 0.0021368 k( 311) = ( 0.4313726 0.3859169 0.2228128), wk = 0.0021368 k( 312) = ( 0.4215686 0.3859169 0.2228128), wk = 0.0021368 k( 313) = ( 0.4117647 0.3859169 0.2228128), wk = 0.0021368 k( 314) = ( 0.4019608 0.3859169 0.2228128), wk = 0.0021368 k( 315) = ( 0.3921569 0.3859169 0.2228128), wk = 0.0021368 k( 316) = ( 0.3823529 0.3859169 0.2228128), wk = 0.0021368 k( 317) = ( 0.3725490 0.3859169 0.2228128), wk = 0.0021368 k( 318) = ( 0.3627451 0.3859169 0.2228128), wk = 0.0021368 k( 319) = ( 0.3529412 0.3859169 0.2228128), wk = 0.0021368 k( 320) = ( 0.3431373 0.3859169 0.2228128), wk = 0.0021368 k( 321) = ( 0.3333333 0.3859169 0.2228128), wk = 0.0021368 k( 322) = ( 0.3235294 0.3859169 0.2228128), wk = 0.0021368 k( 323) = ( 0.3137255 0.3859169 0.2228128), wk = 0.0021368 k( 324) = ( 0.3039216 0.3859169 0.2228128), wk = 0.0021368 k( 325) = ( 0.2941177 0.3859169 0.2228128), wk = 0.0021368 k( 326) = ( 0.2843137 0.3859169 0.2228128), wk = 0.0021368 k( 327) = ( 0.2745098 0.3859169 0.2228128), wk = 0.0021368 k( 328) = ( 0.2647059 0.3859169 0.2228128), wk = 0.0021368 k( 329) = ( 0.2549020 0.3859169 0.2228128), wk = 0.0021368 k( 330) = ( 0.2450980 0.3859169 0.2228128), wk = 0.0021368 k( 331) = ( 0.2352941 0.3859169 0.2228128), wk = 0.0021368 k( 332) = ( 0.2254902 0.3859169 0.2228128), wk = 0.0021368 k( 333) = ( 0.2156863 0.3859169 0.2228128), wk = 0.0021368 k( 334) = ( 0.2058823 0.3859169 0.2228128), wk = 0.0021368 k( 335) = ( 0.1960784 0.3859169 0.2228128), wk = 0.0021368 k( 336) = ( 0.1862745 0.3859169 0.2228128), wk = 0.0021368 k( 337) = ( 0.1764706 0.3859169 0.2228128), wk = 0.0021368 k( 338) = ( 0.1666667 0.3859169 0.2228128), wk = 0.0021368 k( 339) = ( 0.1568627 0.3859169 0.2228128), wk = 0.0021368 k( 340) = ( 0.1470588 0.3859169 0.2228128), wk = 0.0021368 k( 341) = ( 0.1372549 0.3859169 0.2228128), wk = 0.0021368 k( 342) = ( 0.1274510 0.3859169 0.2228128), wk = 0.0021368 k( 343) = ( 0.1176471 0.3859169 0.2228128), wk = 0.0021368 k( 344) = ( 0.1078431 0.3859169 0.2228128), wk = 0.0021368 k( 345) = ( 0.0980392 0.3859169 0.2228128), wk = 0.0021368 k( 346) = ( 0.0882353 0.3859169 0.2228128), wk = 0.0021368 k( 347) = ( 0.0784314 0.3859169 0.2228128), wk = 0.0021368 k( 348) = ( 0.0686275 0.3859169 0.2228128), wk = 0.0021368 k( 349) = ( 0.0588235 0.3859169 0.2228128), wk = 0.0021368 k( 350) = ( 0.0490196 0.3859169 0.2228128), wk = 0.0021368 k( 351) = ( 0.0392157 0.3859169 0.2228128), wk = 0.0021368 k( 352) = ( 0.0294118 0.3859169 0.2228128), wk = 0.0021368 k( 353) = ( 0.0196078 0.3859169 0.2228128), wk = 0.0021368 k( 354) = ( 0.0098039 0.3859169 0.2228128), wk = 0.0021368 k( 355) = ( 0.0000000 0.3859169 0.2228128), wk = 0.0021368 k( 356) = ( 0.0000000 0.3859169 0.2228128), wk = 0.0021368 k( 357) = ( 0.0000000 0.3762690 0.2228128), wk = 0.0021368 k( 358) = ( 0.0000000 0.3666211 0.2228128), wk = 0.0021368 k( 359) = ( 0.0000000 0.3569731 0.2228128), wk = 0.0021368 k( 360) = ( 0.0000000 0.3473252 0.2228128), wk = 0.0021368 k( 361) = ( 0.0000000 0.3376773 0.2228128), wk = 0.0021368 k( 362) = ( 0.0000000 0.3280294 0.2228128), wk = 0.0021368 k( 363) = ( 0.0000000 0.3183814 0.2228128), wk = 0.0021368 k( 364) = ( 0.0000000 0.3087335 0.2228128), wk = 0.0021368 k( 365) = ( 0.0000000 0.2990856 0.2228128), wk = 0.0021368 k( 366) = ( 0.0000000 0.2894377 0.2228128), wk = 0.0021368 k( 367) = ( 0.0000000 0.2797897 0.2228128), wk = 0.0021368 k( 368) = ( 0.0000000 0.2701418 0.2228128), wk = 0.0021368 k( 369) = ( 0.0000000 0.2604939 0.2228128), wk = 0.0021368 k( 370) = ( 0.0000000 0.2508460 0.2228128), wk = 0.0021368 k( 371) = ( 0.0000000 0.2411981 0.2228128), wk = 0.0021368 k( 372) = ( 0.0000000 0.2315501 0.2228128), wk = 0.0021368 k( 373) = ( 0.0000000 0.2219022 0.2228128), wk = 0.0021368 k( 374) = ( 0.0000000 0.2122543 0.2228128), wk = 0.0021368 k( 375) = ( 0.0000000 0.2026064 0.2228128), wk = 0.0021368 k( 376) = ( 0.0000000 0.1929584 0.2228128), wk = 0.0021368 k( 377) = ( 0.0000000 0.1833105 0.2228128), wk = 0.0021368 k( 378) = ( 0.0000000 0.1736626 0.2228128), wk = 0.0021368 k( 379) = ( 0.0000000 0.1640147 0.2228128), wk = 0.0021368 k( 380) = ( 0.0000000 0.1543668 0.2228128), wk = 0.0021368 k( 381) = ( 0.0000000 0.1447188 0.2228128), wk = 0.0021368 k( 382) = ( 0.0000000 0.1350709 0.2228128), wk = 0.0021368 k( 383) = ( 0.0000000 0.1254230 0.2228128), wk = 0.0021368 k( 384) = ( 0.0000000 0.1157751 0.2228128), wk = 0.0021368 k( 385) = ( 0.0000000 0.1061271 0.2228128), wk = 0.0021368 k( 386) = ( 0.0000000 0.0964792 0.2228128), wk = 0.0021368 k( 387) = ( 0.0000000 0.0868313 0.2228128), wk = 0.0021368 k( 388) = ( 0.0000000 0.0771834 0.2228128), wk = 0.0021368 k( 389) = ( 0.0000000 0.0675355 0.2228128), wk = 0.0021368 k( 390) = ( 0.0000000 0.0578875 0.2228128), wk = 0.0021368 k( 391) = ( 0.0000000 0.0482396 0.2228128), wk = 0.0021368 k( 392) = ( 0.0000000 0.0385917 0.2228128), wk = 0.0021368 k( 393) = ( 0.0000000 0.0289438 0.2228128), wk = 0.0021368 k( 394) = ( 0.0000000 0.0192958 0.2228128), wk = 0.0021368 k( 395) = ( 0.0000000 0.0096479 0.2228128), wk = 0.0021368 k( 396) = ( 0.0000000 0.0000000 0.2228128), wk = 0.0021368 k( 397) = ( 0.0000000 0.3859169 -0.0000000), wk = 0.0021368 k( 398) = ( 0.0000000 0.3859169 0.0096875), wk = 0.0021368 k( 399) = ( 0.0000000 0.3859169 0.0193750), wk = 0.0021368 k( 400) = ( 0.0000000 0.3859169 0.0290625), wk = 0.0021368 k( 401) = ( 0.0000000 0.3859169 0.0387501), wk = 0.0021368 k( 402) = ( 0.0000000 0.3859169 0.0484376), wk = 0.0021368 k( 403) = ( 0.0000000 0.3859169 0.0581251), wk = 0.0021368 k( 404) = ( 0.0000000 0.3859169 0.0678126), wk = 0.0021368 k( 405) = ( 0.0000000 0.3859169 0.0775001), wk = 0.0021368 k( 406) = ( 0.0000000 0.3859169 0.0871876), wk = 0.0021368 k( 407) = ( 0.0000000 0.3859169 0.0968751), wk = 0.0021368 k( 408) = ( 0.0000000 0.3859169 0.1065626), wk = 0.0021368 k( 409) = ( 0.0000000 0.3859169 0.1162502), wk = 0.0021368 k( 410) = ( 0.0000000 0.3859169 0.1259377), wk = 0.0021368 k( 411) = ( 0.0000000 0.3859169 0.1356252), wk = 0.0021368 k( 412) = ( 0.0000000 0.3859169 0.1453127), wk = 0.0021368 k( 413) = ( 0.0000000 0.3859169 0.1550002), wk = 0.0021368 k( 414) = ( 0.0000000 0.3859169 0.1646877), wk = 0.0021368 k( 415) = ( 0.0000000 0.3859169 0.1743752), wk = 0.0021368 k( 416) = ( 0.0000000 0.3859169 0.1840628), wk = 0.0021368 k( 417) = ( 0.0000000 0.3859169 0.1937503), wk = 0.0021368 k( 418) = ( 0.0000000 0.3859169 0.2034378), wk = 0.0021368 k( 419) = ( 0.0000000 0.3859169 0.2131253), wk = 0.0021368 k( 420) = ( 0.0000000 0.3859169 0.2228128), wk = 0.0021368 k( 421) = ( 0.5000000 -0.0000000 0.2228128), wk = 0.0021368 k( 422) = ( 0.5000000 -0.0000000 0.2131253), wk = 0.0021368 k( 423) = ( 0.5000000 -0.0000000 0.2034378), wk = 0.0021368 k( 424) = ( 0.5000000 -0.0000000 0.1937503), wk = 0.0021368 k( 425) = ( 0.5000000 -0.0000000 0.1840628), wk = 0.0021368 k( 426) = ( 0.5000000 -0.0000000 0.1743752), wk = 0.0021368 k( 427) = ( 0.5000000 -0.0000000 0.1646877), wk = 0.0021368 k( 428) = ( 0.5000000 -0.0000000 0.1550002), wk = 0.0021368 k( 429) = ( 0.5000000 -0.0000000 0.1453127), wk = 0.0021368 k( 430) = ( 0.5000000 -0.0000000 0.1356252), wk = 0.0021368 k( 431) = ( 0.5000000 -0.0000000 0.1259377), wk = 0.0021368 k( 432) = ( 0.5000000 -0.0000000 0.1162502), wk = 0.0021368 k( 433) = ( 0.5000000 -0.0000000 0.1065626), wk = 0.0021368 k( 434) = ( 0.5000000 -0.0000000 0.0968751), wk = 0.0021368 k( 435) = ( 0.5000000 -0.0000000 0.0871876), wk = 0.0021368 k( 436) = ( 0.5000000 -0.0000000 0.0775001), wk = 0.0021368 k( 437) = ( 0.5000000 -0.0000000 0.0678126), wk = 0.0021368 k( 438) = ( 0.5000000 -0.0000000 0.0581251), wk = 0.0021368 k( 439) = ( 0.5000000 -0.0000000 0.0484376), wk = 0.0021368 k( 440) = ( 0.5000000 -0.0000000 0.0387501), wk = 0.0021368 k( 441) = ( 0.5000000 -0.0000000 0.0290625), wk = 0.0021368 k( 442) = ( 0.5000000 -0.0000000 0.0193750), wk = 0.0021368 k( 443) = ( 0.5000000 -0.0000000 0.0096875), wk = 0.0021368 k( 444) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021368 k( 445) = ( 0.5000000 0.3859169 -0.0000000), wk = 0.0021368 k( 446) = ( 0.5000000 0.3859169 0.0096875), wk = 0.0021368 k( 447) = ( 0.5000000 0.3859169 0.0193750), wk = 0.0021368 k( 448) = ( 0.5000000 0.3859169 0.0290625), wk = 0.0021368 k( 449) = ( 0.5000000 0.3859169 0.0387501), wk = 0.0021368 k( 450) = ( 0.5000000 0.3859169 0.0484376), wk = 0.0021368 k( 451) = ( 0.5000000 0.3859169 0.0581251), wk = 0.0021368 k( 452) = ( 0.5000000 0.3859169 0.0678126), wk = 0.0021368 k( 453) = ( 0.5000000 0.3859169 0.0775001), wk = 0.0021368 k( 454) = ( 0.5000000 0.3859169 0.0871876), wk = 0.0021368 k( 455) = ( 0.5000000 0.3859169 0.0968751), wk = 0.0021368 k( 456) = ( 0.5000000 0.3859169 0.1065626), wk = 0.0021368 k( 457) = ( 0.5000000 0.3859169 0.1162502), wk = 0.0021368 k( 458) = ( 0.5000000 0.3859169 0.1259377), wk = 0.0021368 k( 459) = ( 0.5000000 0.3859169 0.1356252), wk = 0.0021368 k( 460) = ( 0.5000000 0.3859169 0.1453127), wk = 0.0021368 k( 461) = ( 0.5000000 0.3859169 0.1550002), wk = 0.0021368 k( 462) = ( 0.5000000 0.3859169 0.1646877), wk = 0.0021368 k( 463) = ( 0.5000000 0.3859169 0.1743752), wk = 0.0021368 k( 464) = ( 0.5000000 0.3859169 0.1840628), wk = 0.0021368 k( 465) = ( 0.5000000 0.3859169 0.1937503), wk = 0.0021368 k( 466) = ( 0.5000000 0.3859169 0.2034378), wk = 0.0021368 k( 467) = ( 0.5000000 0.3859169 0.2131253), wk = 0.0021368 k( 468) = ( 0.5000000 0.3859169 0.2228128), wk = 0.0021368 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 2) = ( 0.0098039 -0.0000000 -0.0000000), wk = 0.0021368 k( 3) = ( 0.0196078 -0.0000000 -0.0000000), wk = 0.0021368 k( 4) = ( 0.0294118 -0.0000000 0.0000000), wk = 0.0021368 k( 5) = ( 0.0392157 0.0000000 -0.0000000), wk = 0.0021368 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0021368 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0021368 k( 8) = ( 0.0686275 0.0000000 0.0000000), wk = 0.0021368 k( 9) = ( 0.0784314 0.0000000 -0.0000000), wk = 0.0021368 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0021368 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0021368 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0021368 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0021368 k( 14) = ( 0.1274510 0.0000000 0.0000000), wk = 0.0021368 k( 15) = ( 0.1372549 0.0000000 0.0000000), wk = 0.0021368 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0021368 k( 17) = ( 0.1568627 0.0000000 0.0000000), wk = 0.0021368 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0021368 k( 19) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0021368 k( 20) = ( 0.1862745 0.0000000 0.0000000), wk = 0.0021368 k( 21) = ( 0.1960784 -0.0000000 0.0000000), wk = 0.0021368 k( 22) = ( 0.2058823 0.0000000 -0.0000000), wk = 0.0021368 k( 23) = ( 0.2156863 0.0000000 -0.0000000), wk = 0.0021368 k( 24) = ( 0.2254902 0.0000000 0.0000000), wk = 0.0021368 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0021368 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0021368 k( 27) = ( 0.2549020 0.0000000 0.0000000), wk = 0.0021368 k( 28) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0021368 k( 29) = ( 0.2745098 0.0000000 0.0000000), wk = 0.0021368 k( 30) = ( 0.2843137 0.0000000 0.0000000), wk = 0.0021368 k( 31) = ( 0.2941177 0.0000000 -0.0000000), wk = 0.0021368 k( 32) = ( 0.3039216 0.0000000 0.0000000), wk = 0.0021368 k( 33) = ( 0.3137255 -0.0000000 -0.0000000), wk = 0.0021368 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0021368 k( 35) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0021368 k( 36) = ( 0.3431373 0.0000000 0.0000000), wk = 0.0021368 k( 37) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0021368 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0021368 k( 39) = ( 0.3725490 0.0000000 0.0000000), wk = 0.0021368 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0021368 k( 41) = ( 0.3921569 -0.0000000 0.0000000), wk = 0.0021368 k( 42) = ( 0.4019608 0.0000000 0.0000000), wk = 0.0021368 k( 43) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0021368 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0021368 k( 45) = ( 0.4313726 0.0000000 -0.0000000), wk = 0.0021368 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0021368 k( 47) = ( 0.4509804 -0.0000000 0.0000000), wk = 0.0021368 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0021368 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0021368 k( 50) = ( 0.4803922 0.0000000 0.0000000), wk = 0.0021368 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0021368 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021368 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021368 k( 54) = ( 0.5000000 0.0125000 0.0000000), wk = 0.0021368 k( 55) = ( 0.5000000 0.0250000 0.0000000), wk = 0.0021368 k( 56) = ( 0.5000000 0.0375000 0.0000000), wk = 0.0021368 k( 57) = ( 0.5000000 0.0500000 0.0000000), wk = 0.0021368 k( 58) = ( 0.5000000 0.0625000 0.0000000), wk = 0.0021368 k( 59) = ( 0.5000000 0.0750000 0.0000000), wk = 0.0021368 k( 60) = ( 0.5000000 0.0875000 0.0000000), wk = 0.0021368 k( 61) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0021368 k( 62) = ( 0.5000000 0.1125000 0.0000000), wk = 0.0021368 k( 63) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0021368 k( 64) = ( 0.5000000 0.1375000 0.0000000), wk = 0.0021368 k( 65) = ( 0.5000000 0.1500000 0.0000000), wk = 0.0021368 k( 66) = ( 0.5000000 0.1625000 0.0000000), wk = 0.0021368 k( 67) = ( 0.5000000 0.1750000 0.0000000), wk = 0.0021368 k( 68) = ( 0.5000000 0.1875000 0.0000000), wk = 0.0021368 k( 69) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0021368 k( 70) = ( 0.5000000 0.2125000 0.0000000), wk = 0.0021368 k( 71) = ( 0.5000000 0.2250000 0.0000000), wk = 0.0021368 k( 72) = ( 0.5000000 0.2375000 0.0000000), wk = 0.0021368 k( 73) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0021368 k( 74) = ( 0.5000000 0.2625000 0.0000000), wk = 0.0021368 k( 75) = ( 0.5000000 0.2750000 0.0000000), wk = 0.0021368 k( 76) = ( 0.5000000 0.2875000 0.0000000), wk = 0.0021368 k( 77) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0021368 k( 78) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0021368 k( 79) = ( 0.5000000 0.3250000 0.0000000), wk = 0.0021368 k( 80) = ( 0.5000000 0.3375000 0.0000000), wk = 0.0021368 k( 81) = ( 0.5000000 0.3500000 0.0000000), wk = 0.0021368 k( 82) = ( 0.5000000 0.3625000 0.0000000), wk = 0.0021368 k( 83) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0021368 k( 84) = ( 0.5000000 0.3875000 0.0000000), wk = 0.0021368 k( 85) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0021368 k( 86) = ( 0.5000000 0.4125000 0.0000000), wk = 0.0021368 k( 87) = ( 0.5000000 0.4250000 0.0000000), wk = 0.0021368 k( 88) = ( 0.5000000 0.4375000 0.0000000), wk = 0.0021368 k( 89) = ( 0.5000000 0.4500000 0.0000000), wk = 0.0021368 k( 90) = ( 0.5000000 0.4625000 0.0000000), wk = 0.0021368 k( 91) = ( 0.5000000 0.4750000 0.0000000), wk = 0.0021368 k( 92) = ( 0.5000000 0.4875000 0.0000000), wk = 0.0021368 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021368 k( 94) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021368 k( 95) = ( 0.4901961 0.5000000 0.0000000), wk = 0.0021368 k( 96) = ( 0.4803922 0.5000000 0.0000000), wk = 0.0021368 k( 97) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0021368 k( 98) = ( 0.4607843 0.5000000 0.0000000), wk = 0.0021368 k( 99) = ( 0.4509804 0.5000000 0.0000000), wk = 0.0021368 k( 100) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0021368 k( 101) = ( 0.4313726 0.5000000 0.0000000), wk = 0.0021368 k( 102) = ( 0.4215686 0.5000000 0.0000000), wk = 0.0021368 k( 103) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0021368 k( 104) = ( 0.4019608 0.5000000 0.0000000), wk = 0.0021368 k( 105) = ( 0.3921569 0.5000000 0.0000000), wk = 0.0021368 k( 106) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0021368 k( 107) = ( 0.3725490 0.5000000 0.0000000), wk = 0.0021368 k( 108) = ( 0.3627451 0.5000000 0.0000000), wk = 0.0021368 k( 109) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0021368 k( 110) = ( 0.3431373 0.5000000 0.0000000), wk = 0.0021368 k( 111) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0021368 k( 112) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0021368 k( 113) = ( 0.3137255 0.5000000 0.0000000), wk = 0.0021368 k( 114) = ( 0.3039216 0.5000000 0.0000000), wk = 0.0021368 k( 115) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0021368 k( 116) = ( 0.2843137 0.5000000 0.0000000), wk = 0.0021368 k( 117) = ( 0.2745098 0.5000000 0.0000000), wk = 0.0021368 k( 118) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0021368 k( 119) = ( 0.2549020 0.5000000 0.0000000), wk = 0.0021368 k( 120) = ( 0.2450980 0.5000000 0.0000000), wk = 0.0021368 k( 121) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0021368 k( 122) = ( 0.2254902 0.5000000 0.0000000), wk = 0.0021368 k( 123) = ( 0.2156863 0.5000000 0.0000000), wk = 0.0021368 k( 124) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0021368 k( 125) = ( 0.1960784 0.5000000 0.0000000), wk = 0.0021368 k( 126) = ( 0.1862745 0.5000000 0.0000000), wk = 0.0021368 k( 127) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0021368 k( 128) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0021368 k( 129) = ( 0.1568627 0.5000000 0.0000000), wk = 0.0021368 k( 130) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0021368 k( 131) = ( 0.1372549 0.5000000 0.0000000), wk = 0.0021368 k( 132) = ( 0.1274510 0.5000000 0.0000000), wk = 0.0021368 k( 133) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0021368 k( 134) = ( 0.1078431 0.5000000 0.0000000), wk = 0.0021368 k( 135) = ( 0.0980392 0.5000000 0.0000000), wk = 0.0021368 k( 136) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0021368 k( 137) = ( 0.0784314 0.5000000 0.0000000), wk = 0.0021368 k( 138) = ( 0.0686275 0.5000000 0.0000000), wk = 0.0021368 k( 139) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0021368 k( 140) = ( 0.0490196 0.5000000 0.0000000), wk = 0.0021368 k( 141) = ( 0.0392157 0.5000000 0.0000000), wk = 0.0021368 k( 142) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0021368 k( 143) = ( 0.0196078 0.5000000 0.0000000), wk = 0.0021368 k( 144) = ( 0.0098039 0.5000000 0.0000000), wk = 0.0021368 k( 145) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021368 k( 146) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021368 k( 147) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0021368 k( 148) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0021368 k( 149) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0021368 k( 150) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0021368 k( 151) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0021368 k( 152) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0021368 k( 153) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0021368 k( 154) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0021368 k( 155) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0021368 k( 156) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0021368 k( 157) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0021368 k( 158) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0021368 k( 159) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0021368 k( 160) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0021368 k( 161) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0021368 k( 162) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0021368 k( 163) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0021368 k( 164) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0021368 k( 165) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0021368 k( 166) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0021368 k( 167) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0021368 k( 168) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0021368 k( 169) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0021368 k( 170) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0021368 k( 171) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0021368 k( 172) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0021368 k( 173) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0021368 k( 174) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0021368 k( 175) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0021368 k( 176) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0021368 k( 177) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0021368 k( 178) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0021368 k( 179) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0021368 k( 180) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0021368 k( 181) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0021368 k( 182) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0021368 k( 183) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0021368 k( 184) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0021368 k( 185) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0021368 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021368 k( 188) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0021368 k( 189) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0021368 k( 190) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0021368 k( 191) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0021368 k( 192) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0021368 k( 193) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0021368 k( 194) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0021368 k( 195) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0021368 k( 196) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0021368 k( 197) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0021368 k( 198) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0021368 k( 199) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0021368 k( 200) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0021368 k( 201) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0021368 k( 202) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0021368 k( 203) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0021368 k( 204) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0021368 k( 205) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0021368 k( 206) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0021368 k( 207) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0021368 k( 208) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0021368 k( 209) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0021368 k( 210) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021368 k( 211) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021368 k( 212) = ( 0.0098039 -0.0000000 0.5000000), wk = 0.0021368 k( 213) = ( 0.0196078 -0.0000000 0.5000000), wk = 0.0021368 k( 214) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0021368 k( 215) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0021368 k( 216) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0021368 k( 217) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0021368 k( 218) = ( 0.0686275 0.0000000 0.5000000), wk = 0.0021368 k( 219) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0021368 k( 220) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0021368 k( 221) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0021368 k( 222) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0021368 k( 223) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0021368 k( 224) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0021368 k( 225) = ( 0.1372549 0.0000000 0.5000000), wk = 0.0021368 k( 226) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0021368 k( 227) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0021368 k( 228) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0021368 k( 229) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0021368 k( 230) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0021368 k( 231) = ( 0.1960784 -0.0000000 0.5000000), wk = 0.0021368 k( 232) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0021368 k( 233) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0021368 k( 234) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0021368 k( 235) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0021368 k( 236) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0021368 k( 237) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0021368 k( 238) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0021368 k( 239) = ( 0.2745098 0.0000000 0.5000000), wk = 0.0021368 k( 240) = ( 0.2843137 0.0000000 0.5000000), wk = 0.0021368 k( 241) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0021368 k( 242) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0021368 k( 243) = ( 0.3137255 -0.0000000 0.5000000), wk = 0.0021368 k( 244) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0021368 k( 245) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0021368 k( 246) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0021368 k( 247) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0021368 k( 248) = ( 0.3627451 0.0000000 0.5000000), wk = 0.0021368 k( 249) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0021368 k( 250) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0021368 k( 251) = ( 0.3921569 -0.0000000 0.5000000), wk = 0.0021368 k( 252) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0021368 k( 253) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0021368 k( 254) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0021368 k( 255) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0021368 k( 256) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0021368 k( 257) = ( 0.4509804 -0.0000000 0.5000000), wk = 0.0021368 k( 258) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0021368 k( 259) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0021368 k( 260) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0021368 k( 261) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0021368 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021368 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021368 k( 264) = ( 0.5000000 0.0125000 0.5000000), wk = 0.0021368 k( 265) = ( 0.5000000 0.0250000 0.5000000), wk = 0.0021368 k( 266) = ( 0.5000000 0.0375000 0.5000000), wk = 0.0021368 k( 267) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0021368 k( 268) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0021368 k( 269) = ( 0.5000000 0.0750000 0.5000000), wk = 0.0021368 k( 270) = ( 0.5000000 0.0875000 0.5000000), wk = 0.0021368 k( 271) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0021368 k( 272) = ( 0.5000000 0.1125000 0.5000000), wk = 0.0021368 k( 273) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0021368 k( 274) = ( 0.5000000 0.1375000 0.5000000), wk = 0.0021368 k( 275) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0021368 k( 276) = ( 0.5000000 0.1625000 0.5000000), wk = 0.0021368 k( 277) = ( 0.5000000 0.1750000 0.5000000), wk = 0.0021368 k( 278) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0021368 k( 279) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0021368 k( 280) = ( 0.5000000 0.2125000 0.5000000), wk = 0.0021368 k( 281) = ( 0.5000000 0.2250000 0.5000000), wk = 0.0021368 k( 282) = ( 0.5000000 0.2375000 0.5000000), wk = 0.0021368 k( 283) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0021368 k( 284) = ( 0.5000000 0.2625000 0.5000000), wk = 0.0021368 k( 285) = ( 0.5000000 0.2750000 0.5000000), wk = 0.0021368 k( 286) = ( 0.5000000 0.2875000 0.5000000), wk = 0.0021368 k( 287) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0021368 k( 288) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0021368 k( 289) = ( 0.5000000 0.3250000 0.5000000), wk = 0.0021368 k( 290) = ( 0.5000000 0.3375000 0.5000000), wk = 0.0021368 k( 291) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0021368 k( 292) = ( 0.5000000 0.3625000 0.5000000), wk = 0.0021368 k( 293) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0021368 k( 294) = ( 0.5000000 0.3875000 0.5000000), wk = 0.0021368 k( 295) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0021368 k( 296) = ( 0.5000000 0.4125000 0.5000000), wk = 0.0021368 k( 297) = ( 0.5000000 0.4250000 0.5000000), wk = 0.0021368 k( 298) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0021368 k( 299) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0021368 k( 300) = ( 0.5000000 0.4625000 0.5000000), wk = 0.0021368 k( 301) = ( 0.5000000 0.4750000 0.5000000), wk = 0.0021368 k( 302) = ( 0.5000000 0.4875000 0.5000000), wk = 0.0021368 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021368 k( 304) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021368 k( 305) = ( 0.4901961 0.5000000 0.5000000), wk = 0.0021368 k( 306) = ( 0.4803922 0.5000000 0.5000000), wk = 0.0021368 k( 307) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0021368 k( 308) = ( 0.4607843 0.5000000 0.5000000), wk = 0.0021368 k( 309) = ( 0.4509804 0.5000000 0.5000000), wk = 0.0021368 k( 310) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0021368 k( 311) = ( 0.4313726 0.5000000 0.5000000), wk = 0.0021368 k( 312) = ( 0.4215686 0.5000000 0.5000000), wk = 0.0021368 k( 313) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0021368 k( 314) = ( 0.4019608 0.5000000 0.5000000), wk = 0.0021368 k( 315) = ( 0.3921569 0.5000000 0.5000000), wk = 0.0021368 k( 316) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0021368 k( 317) = ( 0.3725490 0.5000000 0.5000000), wk = 0.0021368 k( 318) = ( 0.3627451 0.5000000 0.5000000), wk = 0.0021368 k( 319) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0021368 k( 320) = ( 0.3431373 0.5000000 0.5000000), wk = 0.0021368 k( 321) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0021368 k( 322) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0021368 k( 323) = ( 0.3137255 0.5000000 0.5000000), wk = 0.0021368 k( 324) = ( 0.3039216 0.5000000 0.5000000), wk = 0.0021368 k( 325) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0021368 k( 326) = ( 0.2843137 0.5000000 0.5000000), wk = 0.0021368 k( 327) = ( 0.2745098 0.5000000 0.5000000), wk = 0.0021368 k( 328) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0021368 k( 329) = ( 0.2549020 0.5000000 0.5000000), wk = 0.0021368 k( 330) = ( 0.2450980 0.5000000 0.5000000), wk = 0.0021368 k( 331) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0021368 k( 332) = ( 0.2254902 0.5000000 0.5000000), wk = 0.0021368 k( 333) = ( 0.2156863 0.5000000 0.5000000), wk = 0.0021368 k( 334) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0021368 k( 335) = ( 0.1960784 0.5000000 0.5000000), wk = 0.0021368 k( 336) = ( 0.1862745 0.5000000 0.5000000), wk = 0.0021368 k( 337) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0021368 k( 338) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0021368 k( 339) = ( 0.1568627 0.5000000 0.5000000), wk = 0.0021368 k( 340) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0021368 k( 341) = ( 0.1372549 0.5000000 0.5000000), wk = 0.0021368 k( 342) = ( 0.1274510 0.5000000 0.5000000), wk = 0.0021368 k( 343) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0021368 k( 344) = ( 0.1078431 0.5000000 0.5000000), wk = 0.0021368 k( 345) = ( 0.0980392 0.5000000 0.5000000), wk = 0.0021368 k( 346) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0021368 k( 347) = ( 0.0784314 0.5000000 0.5000000), wk = 0.0021368 k( 348) = ( 0.0686275 0.5000000 0.5000000), wk = 0.0021368 k( 349) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0021368 k( 350) = ( 0.0490196 0.5000000 0.5000000), wk = 0.0021368 k( 351) = ( 0.0392157 0.5000000 0.5000000), wk = 0.0021368 k( 352) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0021368 k( 353) = ( 0.0196078 0.5000000 0.5000000), wk = 0.0021368 k( 354) = ( 0.0098039 0.5000000 0.5000000), wk = 0.0021368 k( 355) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021368 k( 356) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021368 k( 357) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0021368 k( 358) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0021368 k( 359) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0021368 k( 360) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0021368 k( 361) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0021368 k( 362) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0021368 k( 363) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0021368 k( 364) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0021368 k( 365) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0021368 k( 366) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0021368 k( 367) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0021368 k( 368) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0021368 k( 369) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0021368 k( 370) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0021368 k( 371) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0021368 k( 372) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0021368 k( 373) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0021368 k( 374) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0021368 k( 375) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0021368 k( 376) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0021368 k( 377) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0021368 k( 378) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0021368 k( 379) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0021368 k( 380) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0021368 k( 381) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0021368 k( 382) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0021368 k( 383) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0021368 k( 384) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0021368 k( 385) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0021368 k( 386) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0021368 k( 387) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0021368 k( 388) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0021368 k( 389) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0021368 k( 390) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0021368 k( 391) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0021368 k( 392) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0021368 k( 393) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0021368 k( 394) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0021368 k( 395) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0021368 k( 396) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021368 k( 397) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021368 k( 398) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0021368 k( 399) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0021368 k( 400) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0021368 k( 401) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0021368 k( 402) = ( 0.0000000 0.5000000 0.1086956), wk = 0.0021368 k( 403) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0021368 k( 404) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0021368 k( 405) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0021368 k( 406) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0021368 k( 407) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0021368 k( 408) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0021368 k( 409) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0021368 k( 410) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0021368 k( 411) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0021368 k( 412) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0021368 k( 413) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0021368 k( 414) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0021368 k( 415) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0021368 k( 416) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0021368 k( 417) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0021368 k( 418) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0021368 k( 419) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0021368 k( 420) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021368 k( 421) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021368 k( 422) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0021368 k( 423) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0021368 k( 424) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0021368 k( 425) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0021368 k( 426) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0021368 k( 427) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0021368 k( 428) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0021368 k( 429) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0021368 k( 430) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0021368 k( 431) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0021368 k( 432) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0021368 k( 433) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0021368 k( 434) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0021368 k( 435) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0021368 k( 436) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0021368 k( 437) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0021368 k( 438) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0021368 k( 439) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0021368 k( 440) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0021368 k( 441) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0021368 k( 442) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0021368 k( 443) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0021368 k( 444) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021368 k( 445) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021368 k( 446) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0021368 k( 447) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0021368 k( 448) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0021368 k( 449) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0021368 k( 450) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0021368 k( 451) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0021368 k( 452) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0021368 k( 453) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0021368 k( 454) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0021368 k( 455) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0021368 k( 456) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0021368 k( 457) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0021368 k( 458) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0021368 k( 459) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0021368 k( 460) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0021368 k( 461) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0021368 k( 462) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0021368 k( 463) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0021368 k( 464) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0021368 k( 465) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0021368 k( 466) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0021368 k( 467) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0021368 k( 468) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021368 Dense grid: 57937 G-vectors FFT dimensions: ( 36, 45, 75) Smooth grid: 28015 G-vectors FFT dimensions: ( 27, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 232, 32) NL pseudopotentials 0.20 Mb ( 116, 112) Each V/rho on FFT grid 0.07 Mb ( 4860) Each G-vector array 0.01 Mb ( 1812) G-vector shells 0.01 Mb ( 924) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 232, 128) Each subspace H/S matrix 0.25 Mb ( 128, 128) Each matrix 0.11 Mb ( 112, 2, 32) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiB.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.5 secs Computing kpt #: 12 total cpu time spent up to now is 8.0 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.4 secs Computing kpt #: 17 total cpu time spent up to now is 10.9 secs Computing kpt #: 18 total cpu time spent up to now is 11.5 secs Computing kpt #: 19 total cpu time spent up to now is 12.1 secs Computing kpt #: 20 total cpu time spent up to now is 12.6 secs Computing kpt #: 21 total cpu time spent up to now is 13.1 secs Computing kpt #: 22 total cpu time spent up to now is 13.6 secs Computing kpt #: 23 total cpu time spent up to now is 14.1 secs Computing kpt #: 24 total cpu time spent up to now is 14.6 secs Computing kpt #: 25 total cpu time spent up to now is 15.1 secs Computing kpt #: 26 total cpu time spent up to now is 15.6 secs Computing kpt #: 27 total cpu time spent up to now is 16.1 secs Computing kpt #: 28 total cpu time spent up to now is 16.6 secs Computing kpt #: 29 total cpu time spent up to now is 17.1 secs Computing kpt #: 30 total cpu time spent up to now is 17.6 secs Computing kpt #: 31 total cpu time spent up to now is 18.1 secs Computing kpt #: 32 total cpu time spent up to now is 18.6 secs Computing kpt #: 33 total cpu time spent up to now is 19.1 secs Computing kpt #: 34 total cpu time spent up to now is 19.6 secs Computing kpt #: 35 total cpu time spent up to now is 20.1 secs Computing kpt #: 36 total cpu time spent up to now is 20.6 secs Computing kpt #: 37 total cpu time spent up to now is 21.1 secs Computing kpt #: 38 total cpu time spent up to now is 21.6 secs Computing kpt #: 39 total cpu time spent up to now is 22.1 secs Computing kpt #: 40 total cpu time spent up to now is 22.5 secs Computing kpt #: 41 total cpu time spent up to now is 23.0 secs Computing kpt #: 42 total cpu time spent up to now is 23.5 secs Computing kpt #: 43 total cpu time spent up to now is 24.0 secs Computing kpt #: 44 total cpu time spent up to now is 24.4 secs Computing kpt #: 45 total cpu time spent up to now is 24.9 secs Computing kpt #: 46 total cpu time spent up to now is 25.4 secs Computing kpt #: 47 total cpu time spent up to now is 25.9 secs Computing kpt #: 48 total cpu time spent up to now is 26.4 secs Computing kpt #: 49 total cpu time spent up to now is 26.8 secs Computing kpt #: 50 total cpu time spent up to now is 27.3 secs Computing kpt #: 51 total cpu time spent up to now is 27.8 secs Computing kpt #: 52 total cpu time spent up to now is 28.3 secs Computing kpt #: 53 total cpu time spent up to now is 28.8 secs Computing kpt #: 54 total cpu time spent up to now is 29.3 secs Computing kpt #: 55 total cpu time spent up to now is 29.7 secs Computing kpt #: 56 total cpu time spent up to now is 30.2 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.2 secs Computing kpt #: 59 total cpu time spent up to now is 31.8 secs Computing kpt #: 60 total cpu time spent up to now is 32.3 secs Computing kpt #: 61 total cpu time spent up to now is 32.8 secs Computing kpt #: 62 total cpu time spent up to now is 33.3 secs Computing kpt #: 63 total cpu time spent up to now is 33.9 secs Computing kpt #: 64 total cpu time spent up to now is 34.4 secs Computing kpt #: 65 total cpu time spent up to now is 35.0 secs Computing kpt #: 66 total cpu time spent up to now is 35.7 secs Computing kpt #: 67 total cpu time spent up to now is 36.3 secs Computing kpt #: 68 total cpu time spent up to now is 37.0 secs Computing kpt #: 69 total cpu time spent up to now is 37.5 secs Computing kpt #: 70 total cpu time spent up to now is 38.1 secs Computing kpt #: 71 total cpu time spent up to now is 38.7 secs Computing kpt #: 72 total cpu time spent up to now is 39.3 secs Computing kpt #: 73 total cpu time spent up to now is 39.8 secs Computing kpt #: 74 total cpu time spent up to now is 40.4 secs Computing kpt #: 75 total cpu time spent up to now is 41.0 secs Computing kpt #: 76 total cpu time spent up to now is 41.7 secs Computing kpt #: 77 total cpu time spent up to now is 42.2 secs Computing kpt #: 78 total cpu time spent up to now is 42.8 secs Computing kpt #: 79 total cpu time spent up to now is 43.3 secs Computing kpt #: 80 total cpu time spent up to now is 43.7 secs Computing kpt #: 81 total cpu time spent up to now is 44.2 secs Computing kpt #: 82 total cpu time spent up to now is 44.6 secs Computing kpt #: 83 total cpu time spent up to now is 45.0 secs Computing kpt #: 84 total cpu time spent up to now is 45.5 secs Computing kpt #: 85 total cpu time spent up to now is 45.9 secs Computing kpt #: 86 total cpu time spent up to now is 46.3 secs Computing kpt #: 87 total cpu time spent up to now is 46.7 secs Computing kpt #: 88 total cpu time spent up to now is 47.1 secs Computing kpt #: 89 total cpu time spent up to now is 47.5 secs Computing kpt #: 90 total cpu time spent up to now is 47.9 secs Computing kpt #: 91 total cpu time spent up to now is 48.3 secs Computing kpt #: 92 total cpu time spent up to now is 48.7 secs Computing kpt #: 93 total cpu time spent up to now is 49.1 secs Computing kpt #: 94 total cpu time spent up to now is 49.5 secs Computing kpt #: 95 total cpu time spent up to now is 49.9 secs Computing kpt #: 96 total cpu time spent up to now is 50.3 secs Computing kpt #: 97 total cpu time spent up to now is 50.7 secs Computing kpt #: 98 total cpu time spent up to now is 51.1 secs Computing kpt #: 99 total cpu time spent up to now is 51.5 secs Computing kpt #: 100 total cpu time spent up to now is 51.9 secs Computing kpt #: 101 total cpu time spent up to now is 52.3 secs Computing kpt #: 102 total cpu time spent up to now is 52.7 secs Computing kpt #: 103 total cpu time spent up to now is 53.1 secs Computing kpt #: 104 total cpu time spent up to now is 53.5 secs Computing kpt #: 105 total cpu time spent up to now is 53.9 secs Computing kpt #: 106 total cpu time spent up to now is 54.3 secs Computing kpt #: 107 total cpu time spent up to now is 54.7 secs Computing kpt #: 108 total cpu time spent up to now is 55.1 secs Computing kpt #: 109 total cpu time spent up to now is 55.5 secs Computing kpt #: 110 total cpu time spent up to now is 55.9 secs Computing kpt #: 111 total cpu time spent up to now is 56.3 secs Computing kpt #: 112 total cpu time spent up to now is 56.7 secs Computing kpt #: 113 total cpu time spent up to now is 57.2 secs Computing kpt #: 114 total cpu time spent up to now is 57.6 secs Computing kpt #: 115 total cpu time spent up to now is 58.0 secs Computing kpt #: 116 total cpu time spent up to now is 58.4 secs Computing kpt #: 117 total cpu time spent up to now is 58.8 secs Computing kpt #: 118 total cpu time spent up to now is 59.2 secs Computing kpt #: 119 total cpu time spent up to now is 59.6 secs Computing kpt #: 120 total cpu time spent up to now is 60.1 secs Computing kpt #: 121 total cpu time spent up to now is 60.5 secs Computing kpt #: 122 total cpu time spent up to now is 61.0 secs Computing kpt #: 123 total cpu time spent up to now is 61.4 secs Computing kpt #: 124 total cpu time spent up to now is 61.8 secs Computing kpt #: 125 total cpu time spent up to now is 62.3 secs Computing kpt #: 126 total cpu time spent up to now is 62.7 secs Computing kpt #: 127 total cpu time spent up to now is 63.2 secs Computing kpt #: 128 total cpu time spent up to now is 63.6 secs Computing kpt #: 129 total cpu time spent up to now is 64.0 secs Computing kpt #: 130 total cpu time spent up to now is 64.4 secs Computing kpt #: 131 total cpu time spent up to now is 64.8 secs Computing kpt #: 132 total cpu time spent up to now is 65.3 secs Computing kpt #: 133 total cpu time spent up to now is 65.7 secs Computing kpt #: 134 total cpu time spent up to now is 66.1 secs Computing kpt #: 135 total cpu time spent up to now is 66.5 secs Computing kpt #: 136 total cpu time spent up to now is 66.9 secs Computing kpt #: 137 total cpu time spent up to now is 67.3 secs Computing kpt #: 138 total cpu time spent up to now is 67.8 secs Computing kpt #: 139 total cpu time spent up to now is 68.2 secs Computing kpt #: 140 total cpu time spent up to now is 68.6 secs Computing kpt #: 141 total cpu time spent up to now is 69.0 secs Computing kpt #: 142 total cpu time spent up to now is 69.4 secs Computing kpt #: 143 total cpu time spent up to now is 69.8 secs Computing kpt #: 144 total cpu time spent up to now is 70.3 secs Computing kpt #: 145 total cpu time spent up to now is 70.7 secs Computing kpt #: 146 total cpu time spent up to now is 71.2 secs Computing kpt #: 147 total cpu time spent up to now is 72.1 secs Computing kpt #: 148 total cpu time spent up to now is 73.0 secs Computing kpt #: 149 total cpu time spent up to now is 73.9 secs Computing kpt #: 150 total cpu time spent up to now is 75.1 secs Computing kpt #: 151 total cpu time spent up to now is 75.8 secs Computing kpt #: 152 total cpu time spent up to now is 76.3 secs Computing kpt #: 153 total cpu time spent up to now is 76.7 secs Computing kpt #: 154 total cpu time spent up to now is 77.2 secs Computing kpt #: 155 total cpu time spent up to now is 77.7 secs Computing kpt #: 156 total cpu time spent up to now is 78.2 secs Computing kpt #: 157 total cpu time spent up to now is 78.7 secs Computing kpt #: 158 total cpu time spent up to now is 79.3 secs Computing kpt #: 159 total cpu time spent up to now is 80.0 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.0 secs Computing kpt #: 161 total cpu time spent up to now is 81.7 secs Computing kpt #: 162 total cpu time spent up to now is 82.3 secs Computing kpt #: 163 total cpu time spent up to now is 82.9 secs Computing kpt #: 164 total cpu time spent up to now is 83.4 secs Computing kpt #: 165 total cpu time spent up to now is 84.0 secs Computing kpt #: 166 total cpu time spent up to now is 84.6 secs Computing kpt #: 167 total cpu time spent up to now is 85.2 secs Computing kpt #: 168 total cpu time spent up to now is 85.8 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.9 secs Computing kpt #: 170 total cpu time spent up to now is 87.5 secs Computing kpt #: 171 total cpu time spent up to now is 88.3 secs Computing kpt #: 172 total cpu time spent up to now is 89.0 secs Computing kpt #: 173 total cpu time spent up to now is 89.7 secs Computing kpt #: 174 total cpu time spent up to now is 90.3 secs Computing kpt #: 175 total cpu time spent up to now is 91.0 secs Computing kpt #: 176 total cpu time spent up to now is 91.7 secs Computing kpt #: 177 total cpu time spent up to now is 92.2 secs Computing kpt #: 178 total cpu time spent up to now is 92.8 secs Computing kpt #: 179 total cpu time spent up to now is 93.3 secs Computing kpt #: 180 total cpu time spent up to now is 93.8 secs Computing kpt #: 181 total cpu time spent up to now is 94.3 secs Computing kpt #: 182 total cpu time spent up to now is 94.7 secs Computing kpt #: 183 total cpu time spent up to now is 95.2 secs Computing kpt #: 184 total cpu time spent up to now is 95.7 secs Computing kpt #: 185 total cpu time spent up to now is 96.1 secs Computing kpt #: 186 total cpu time spent up to now is 96.6 secs Computing kpt #: 187 total cpu time spent up to now is 97.1 secs Computing kpt #: 188 total cpu time spent up to now is 97.5 secs Computing kpt #: 189 total cpu time spent up to now is 98.0 secs Computing kpt #: 190 total cpu time spent up to now is 98.4 secs Computing kpt #: 191 total cpu time spent up to now is 98.9 secs Computing kpt #: 192 total cpu time spent up to now is 99.3 secs Computing kpt #: 193 total cpu time spent up to now is 99.8 secs Computing kpt #: 194 total cpu time spent up to now is 100.3 secs Computing kpt #: 195 total cpu time spent up to now is 100.7 secs Computing kpt #: 196 total cpu time spent up to now is 101.2 secs Computing kpt #: 197 total cpu time spent up to now is 101.7 secs Computing kpt #: 198 total cpu time spent up to now is 102.1 secs Computing kpt #: 199 total cpu time spent up to now is 102.6 secs Computing kpt #: 200 total cpu time spent up to now is 103.0 secs Computing kpt #: 201 total cpu time spent up to now is 103.5 secs Computing kpt #: 202 total cpu time spent up to now is 104.0 secs Computing kpt #: 203 total cpu time spent up to now is 104.4 secs Computing kpt #: 204 total cpu time spent up to now is 104.9 secs Computing kpt #: 205 total cpu time spent up to now is 105.3 secs Computing kpt #: 206 total cpu time spent up to now is 105.8 secs Computing kpt #: 207 total cpu time spent up to now is 106.3 secs Computing kpt #: 208 total cpu time spent up to now is 106.7 secs Computing kpt #: 209 total cpu time spent up to now is 107.2 secs Computing kpt #: 210 total cpu time spent up to now is 107.6 secs Computing kpt #: 211 total cpu time spent up to now is 108.1 secs Computing kpt #: 212 total cpu time spent up to now is 108.6 secs Computing kpt #: 213 total cpu time spent up to now is 109.0 secs Computing kpt #: 214 total cpu time spent up to now is 109.6 secs Computing kpt #: 215 total cpu time spent up to now is 110.1 secs Computing kpt #: 216 total cpu time spent up to now is 110.6 secs Computing kpt #: 217 total cpu time spent up to now is 111.1 secs Computing kpt #: 218 total cpu time spent up to now is 111.6 secs Computing kpt #: 219 total cpu time spent up to now is 112.0 secs Computing kpt #: 220 total cpu time spent up to now is 112.5 secs Computing kpt #: 221 total cpu time spent up to now is 113.0 secs Computing kpt #: 222 total cpu time spent up to now is 113.5 secs Computing kpt #: 223 total cpu time spent up to now is 114.0 secs Computing kpt #: 224 total cpu time spent up to now is 114.6 secs Computing kpt #: 225 total cpu time spent up to now is 115.2 secs Computing kpt #: 226 total cpu time spent up to now is 115.8 secs Computing kpt #: 227 total cpu time spent up to now is 116.4 secs Computing kpt #: 228 total cpu time spent up to now is 117.0 secs Computing kpt #: 229 total cpu time spent up to now is 117.5 secs Computing kpt #: 230 total cpu time spent up to now is 118.1 secs Computing kpt #: 231 total cpu time spent up to now is 118.6 secs Computing kpt #: 232 total cpu time spent up to now is 119.1 secs Computing kpt #: 233 total cpu time spent up to now is 119.6 secs Computing kpt #: 234 total cpu time spent up to now is 120.2 secs Computing kpt #: 235 total cpu time spent up to now is 120.7 secs Computing kpt #: 236 total cpu time spent up to now is 121.2 secs Computing kpt #: 237 total cpu time spent up to now is 121.7 secs Computing kpt #: 238 total cpu time spent up to now is 122.2 secs Computing kpt #: 239 total cpu time spent up to now is 122.7 secs Computing kpt #: 240 total cpu time spent up to now is 123.3 secs Computing kpt #: 241 total cpu time spent up to now is 123.8 secs Computing kpt #: 242 total cpu time spent up to now is 124.3 secs Computing kpt #: 243 total cpu time spent up to now is 124.8 secs Computing kpt #: 244 total cpu time spent up to now is 125.3 secs Computing kpt #: 245 total cpu time spent up to now is 125.8 secs Computing kpt #: 246 total cpu time spent up to now is 126.3 secs Computing kpt #: 247 total cpu time spent up to now is 126.8 secs Computing kpt #: 248 total cpu time spent up to now is 127.3 secs Computing kpt #: 249 total cpu time spent up to now is 127.8 secs Computing kpt #: 250 total cpu time spent up to now is 128.3 secs Computing kpt #: 251 total cpu time spent up to now is 128.8 secs Computing kpt #: 252 total cpu time spent up to now is 129.2 secs Computing kpt #: 253 total cpu time spent up to now is 129.7 secs Computing kpt #: 254 total cpu time spent up to now is 130.2 secs Computing kpt #: 255 total cpu time spent up to now is 130.7 secs Computing kpt #: 256 total cpu time spent up to now is 131.3 secs Computing kpt #: 257 total cpu time spent up to now is 131.8 secs Computing kpt #: 258 total cpu time spent up to now is 132.3 secs Computing kpt #: 259 total cpu time spent up to now is 132.8 secs Computing kpt #: 260 total cpu time spent up to now is 133.3 secs Computing kpt #: 261 total cpu time spent up to now is 133.8 secs Computing kpt #: 262 total cpu time spent up to now is 134.3 secs Computing kpt #: 263 total cpu time spent up to now is 134.9 secs Computing kpt #: 264 total cpu time spent up to now is 135.4 secs Computing kpt #: 265 total cpu time spent up to now is 135.9 secs Computing kpt #: 266 total cpu time spent up to now is 136.4 secs Computing kpt #: 267 total cpu time spent up to now is 137.0 secs Computing kpt #: 268 total cpu time spent up to now is 137.5 secs Computing kpt #: 269 total cpu time spent up to now is 138.1 secs Computing kpt #: 270 total cpu time spent up to now is 138.8 secs Computing kpt #: 271 total cpu time spent up to now is 139.4 secs Computing kpt #: 272 total cpu time spent up to now is 140.0 secs Computing kpt #: 273 total cpu time spent up to now is 140.7 secs Computing kpt #: 274 total cpu time spent up to now is 141.3 secs Computing kpt #: 275 total cpu time spent up to now is 141.9 secs Computing kpt #: 276 total cpu time spent up to now is 142.5 secs Computing kpt #: 277 total cpu time spent up to now is 143.0 secs Computing kpt #: 278 total cpu time spent up to now is 143.6 secs Computing kpt #: 279 total cpu time spent up to now is 144.1 secs Computing kpt #: 280 total cpu time spent up to now is 144.7 secs Computing kpt #: 281 total cpu time spent up to now is 145.2 secs Computing kpt #: 282 total cpu time spent up to now is 145.7 secs Computing kpt #: 283 total cpu time spent up to now is 146.2 secs Computing kpt #: 284 total cpu time spent up to now is 146.7 secs Computing kpt #: 285 total cpu time spent up to now is 147.3 secs Computing kpt #: 286 total cpu time spent up to now is 147.8 secs Computing kpt #: 287 total cpu time spent up to now is 148.4 secs Computing kpt #: 288 total cpu time spent up to now is 149.0 secs Computing kpt #: 289 total cpu time spent up to now is 149.6 secs Computing kpt #: 290 total cpu time spent up to now is 150.2 secs Computing kpt #: 291 total cpu time spent up to now is 150.7 secs Computing kpt #: 292 total cpu time spent up to now is 151.2 secs Computing kpt #: 293 total cpu time spent up to now is 151.6 secs Computing kpt #: 294 total cpu time spent up to now is 152.1 secs Computing kpt #: 295 total cpu time spent up to now is 152.6 secs Computing kpt #: 296 total cpu time spent up to now is 153.0 secs Computing kpt #: 297 total cpu time spent up to now is 153.5 secs Computing kpt #: 298 total cpu time spent up to now is 153.9 secs Computing kpt #: 299 total cpu time spent up to now is 154.4 secs Computing kpt #: 300 total cpu time spent up to now is 154.8 secs Computing kpt #: 301 total cpu time spent up to now is 155.2 secs Computing kpt #: 302 total cpu time spent up to now is 155.6 secs Computing kpt #: 303 total cpu time spent up to now is 156.1 secs Computing kpt #: 304 total cpu time spent up to now is 156.5 secs Computing kpt #: 305 total cpu time spent up to now is 156.9 secs Computing kpt #: 306 total cpu time spent up to now is 157.3 secs Computing kpt #: 307 total cpu time spent up to now is 157.7 secs Computing kpt #: 308 total cpu time spent up to now is 158.2 secs Computing kpt #: 309 total cpu time spent up to now is 158.6 secs Computing kpt #: 310 total cpu time spent up to now is 159.0 secs Computing kpt #: 311 total cpu time spent up to now is 159.4 secs Computing kpt #: 312 total cpu time spent up to now is 159.8 secs Computing kpt #: 313 total cpu time spent up to now is 160.3 secs Computing kpt #: 314 total cpu time spent up to now is 160.7 secs Computing kpt #: 315 total cpu time spent up to now is 161.1 secs Computing kpt #: 316 total cpu time spent up to now is 161.5 secs Computing kpt #: 317 total cpu time spent up to now is 161.9 secs Computing kpt #: 318 total cpu time spent up to now is 162.3 secs Computing kpt #: 319 total cpu time spent up to now is 162.8 secs Computing kpt #: 320 total cpu time spent up to now is 163.2 secs Computing kpt #: 321 total cpu time spent up to now is 163.6 secs Computing kpt #: 322 total cpu time spent up to now is 164.0 secs Computing kpt #: 323 total cpu time spent up to now is 164.4 secs Computing kpt #: 324 total cpu time spent up to now is 164.9 secs Computing kpt #: 325 total cpu time spent up to now is 165.3 secs Computing kpt #: 326 total cpu time spent up to now is 165.7 secs Computing kpt #: 327 total cpu time spent up to now is 166.2 secs Computing kpt #: 328 total cpu time spent up to now is 166.7 secs Computing kpt #: 329 total cpu time spent up to now is 167.1 secs Computing kpt #: 330 total cpu time spent up to now is 167.6 secs Computing kpt #: 331 total cpu time spent up to now is 168.0 secs Computing kpt #: 332 total cpu time spent up to now is 168.5 secs Computing kpt #: 333 total cpu time spent up to now is 169.0 secs Computing kpt #: 334 total cpu time spent up to now is 169.4 secs Computing kpt #: 335 total cpu time spent up to now is 169.9 secs Computing kpt #: 336 total cpu time spent up to now is 170.4 secs Computing kpt #: 337 total cpu time spent up to now is 170.8 secs Computing kpt #: 338 total cpu time spent up to now is 171.3 secs Computing kpt #: 339 total cpu time spent up to now is 171.7 secs Computing kpt #: 340 total cpu time spent up to now is 172.2 secs Computing kpt #: 341 total cpu time spent up to now is 172.7 secs Computing kpt #: 342 total cpu time spent up to now is 173.1 secs Computing kpt #: 343 total cpu time spent up to now is 173.6 secs Computing kpt #: 344 total cpu time spent up to now is 174.0 secs Computing kpt #: 345 total cpu time spent up to now is 174.5 secs Computing kpt #: 346 total cpu time spent up to now is 174.9 secs Computing kpt #: 347 total cpu time spent up to now is 175.4 secs Computing kpt #: 348 total cpu time spent up to now is 175.8 secs Computing kpt #: 349 total cpu time spent up to now is 176.2 secs Computing kpt #: 350 total cpu time spent up to now is 176.6 secs Computing kpt #: 351 total cpu time spent up to now is 177.0 secs Computing kpt #: 352 total cpu time spent up to now is 177.5 secs Computing kpt #: 353 total cpu time spent up to now is 177.9 secs Computing kpt #: 354 total cpu time spent up to now is 178.3 secs Computing kpt #: 355 total cpu time spent up to now is 178.8 secs Computing kpt #: 356 total cpu time spent up to now is 179.3 secs Computing kpt #: 357 total cpu time spent up to now is 179.7 secs Computing kpt #: 358 total cpu time spent up to now is 180.2 secs Computing kpt #: 359 total cpu time spent up to now is 180.6 secs Computing kpt #: 360 total cpu time spent up to now is 181.1 secs Computing kpt #: 361 total cpu time spent up to now is 181.6 secs Computing kpt #: 362 total cpu time spent up to now is 182.0 secs Computing kpt #: 363 total cpu time spent up to now is 182.5 secs Computing kpt #: 364 total cpu time spent up to now is 183.0 secs Computing kpt #: 365 total cpu time spent up to now is 183.4 secs Computing kpt #: 366 total cpu time spent up to now is 183.9 secs Computing kpt #: 367 total cpu time spent up to now is 184.5 secs Computing kpt #: 368 total cpu time spent up to now is 185.0 secs Computing kpt #: 369 total cpu time spent up to now is 185.6 secs Computing kpt #: 370 total cpu time spent up to now is 186.3 secs Computing kpt #: 371 total cpu time spent up to now is 186.9 secs Computing kpt #: 372 total cpu time spent up to now is 187.4 secs Computing kpt #: 373 total cpu time spent up to now is 188.0 secs Computing kpt #: 374 total cpu time spent up to now is 188.6 secs Computing kpt #: 375 total cpu time spent up to now is 189.1 secs Computing kpt #: 376 total cpu time spent up to now is 189.7 secs Computing kpt #: 377 total cpu time spent up to now is 190.2 secs Computing kpt #: 378 total cpu time spent up to now is 190.8 secs Computing kpt #: 379 total cpu time spent up to now is 191.3 secs Computing kpt #: 380 total cpu time spent up to now is 191.9 secs Computing kpt #: 381 total cpu time spent up to now is 192.5 secs Computing kpt #: 382 total cpu time spent up to now is 193.0 secs Computing kpt #: 383 total cpu time spent up to now is 193.6 secs Computing kpt #: 384 total cpu time spent up to now is 194.2 secs Computing kpt #: 385 total cpu time spent up to now is 194.7 secs Computing kpt #: 386 total cpu time spent up to now is 195.2 secs Computing kpt #: 387 total cpu time spent up to now is 195.8 secs Computing kpt #: 388 total cpu time spent up to now is 196.3 secs Computing kpt #: 389 total cpu time spent up to now is 196.8 secs Computing kpt #: 390 total cpu time spent up to now is 197.3 secs Computing kpt #: 391 total cpu time spent up to now is 197.8 secs Computing kpt #: 392 total cpu time spent up to now is 198.3 secs Computing kpt #: 393 total cpu time spent up to now is 198.8 secs Computing kpt #: 394 total cpu time spent up to now is 199.2 secs Computing kpt #: 395 total cpu time spent up to now is 199.7 secs Computing kpt #: 396 total cpu time spent up to now is 200.1 secs Computing kpt #: 397 total cpu time spent up to now is 200.6 secs Computing kpt #: 398 total cpu time spent up to now is 201.0 secs Computing kpt #: 399 total cpu time spent up to now is 201.4 secs Computing kpt #: 400 total cpu time spent up to now is 201.8 secs Computing kpt #: 401 total cpu time spent up to now is 202.2 secs Computing kpt #: 402 total cpu time spent up to now is 202.6 secs Computing kpt #: 403 total cpu time spent up to now is 203.1 secs Computing kpt #: 404 total cpu time spent up to now is 203.5 secs Computing kpt #: 405 total cpu time spent up to now is 204.0 secs Computing kpt #: 406 total cpu time spent up to now is 204.4 secs Computing kpt #: 407 total cpu time spent up to now is 204.9 secs Computing kpt #: 408 total cpu time spent up to now is 205.4 secs Computing kpt #: 409 total cpu time spent up to now is 205.8 secs Computing kpt #: 410 total cpu time spent up to now is 206.3 secs Computing kpt #: 411 total cpu time spent up to now is 206.7 secs Computing kpt #: 412 total cpu time spent up to now is 207.2 secs Computing kpt #: 413 total cpu time spent up to now is 207.7 secs Computing kpt #: 414 total cpu time spent up to now is 208.1 secs Computing kpt #: 415 total cpu time spent up to now is 208.6 secs Computing kpt #: 416 total cpu time spent up to now is 209.0 secs Computing kpt #: 417 total cpu time spent up to now is 209.4 secs Computing kpt #: 418 total cpu time spent up to now is 209.9 secs Computing kpt #: 419 total cpu time spent up to now is 210.4 secs Computing kpt #: 420 total cpu time spent up to now is 210.8 secs Computing kpt #: 421 total cpu time spent up to now is 211.3 secs Computing kpt #: 422 total cpu time spent up to now is 211.8 secs Computing kpt #: 423 total cpu time spent up to now is 212.3 secs Computing kpt #: 424 total cpu time spent up to now is 212.8 secs Computing kpt #: 425 total cpu time spent up to now is 213.3 secs Computing kpt #: 426 total cpu time spent up to now is 213.8 secs Computing kpt #: 427 total cpu time spent up to now is 214.3 secs Computing kpt #: 428 total cpu time spent up to now is 214.9 secs Computing kpt #: 429 total cpu time spent up to now is 215.4 secs Computing kpt #: 430 total cpu time spent up to now is 215.9 secs Computing kpt #: 431 total cpu time spent up to now is 216.4 secs Computing kpt #: 432 total cpu time spent up to now is 216.9 secs Computing kpt #: 433 total cpu time spent up to now is 217.4 secs Computing kpt #: 434 total cpu time spent up to now is 217.9 secs Computing kpt #: 435 total cpu time spent up to now is 218.4 secs Computing kpt #: 436 total cpu time spent up to now is 218.9 secs Computing kpt #: 437 total cpu time spent up to now is 219.4 secs Computing kpt #: 438 total cpu time spent up to now is 219.9 secs Computing kpt #: 439 total cpu time spent up to now is 220.4 secs Computing kpt #: 440 total cpu time spent up to now is 220.8 secs Computing kpt #: 441 total cpu time spent up to now is 221.3 secs Computing kpt #: 442 total cpu time spent up to now is 221.8 secs Computing kpt #: 443 total cpu time spent up to now is 222.3 secs Computing kpt #: 444 total cpu time spent up to now is 222.7 secs Computing kpt #: 445 total cpu time spent up to now is 223.1 secs Computing kpt #: 446 total cpu time spent up to now is 223.6 secs Computing kpt #: 447 total cpu time spent up to now is 224.0 secs Computing kpt #: 448 total cpu time spent up to now is 224.4 secs Computing kpt #: 449 total cpu time spent up to now is 224.8 secs Computing kpt #: 450 total cpu time spent up to now is 225.2 secs Computing kpt #: 451 total cpu time spent up to now is 225.6 secs Computing kpt #: 452 total cpu time spent up to now is 226.0 secs Computing kpt #: 453 total cpu time spent up to now is 226.5 secs Computing kpt #: 454 total cpu time spent up to now is 226.9 secs Computing kpt #: 455 total cpu time spent up to now is 227.3 secs Computing kpt #: 456 total cpu time spent up to now is 227.7 secs Computing kpt #: 457 total cpu time spent up to now is 228.1 secs Computing kpt #: 458 total cpu time spent up to now is 228.6 secs Computing kpt #: 459 total cpu time spent up to now is 229.0 secs Computing kpt #: 460 total cpu time spent up to now is 229.4 secs Computing kpt #: 461 total cpu time spent up to now is 229.8 secs Computing kpt #: 462 total cpu time spent up to now is 230.3 secs Computing kpt #: 463 total cpu time spent up to now is 230.7 secs Computing kpt #: 464 total cpu time spent up to now is 231.1 secs Computing kpt #: 465 total cpu time spent up to now is 231.6 secs Computing kpt #: 466 total cpu time spent up to now is 232.0 secs Computing kpt #: 467 total cpu time spent up to now is 232.4 secs Computing kpt #: 468 total cpu time spent up to now is 232.8 secs ethr = 4.17E-11, avg # of iterations = 27.6 total cpu time spent up to now is 232.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3541 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0859 -5.0859 -3.9347 -3.9347 -2.6706 -2.6706 -1.2166 -1.2166 0.6888 0.6888 0.7653 0.7653 1.9163 1.9163 2.7692 2.7692 4.7994 4.7994 5.0054 5.0054 5.2946 5.2946 6.0141 6.0141 k = 0.0098-0.0000-0.0000 ( 3533 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0856 -5.0856 -3.9348 -3.9348 -2.6697 -2.6697 -1.2153 -1.2153 0.6897 0.6897 0.7639 0.7639 1.9171 1.9171 2.7648 2.7648 4.7957 4.7957 5.0061 5.0061 5.3007 5.3007 6.0140 6.0140 k = 0.0196-0.0000-0.0000 ( 3537 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5728 -42.5728 -5.0848 -5.0848 -3.9351 -3.9351 -2.6669 -2.6669 -1.2116 -1.2116 0.6924 0.6924 0.7596 0.7596 1.9194 1.9194 2.7519 2.7519 4.7845 4.7845 5.0082 5.0082 5.3187 5.3187 6.0134 6.0134 k = 0.0294-0.0000-0.0000 ( 3537 PWs) bands (ev): -49.0611 -49.0611 -48.9590 -48.9590 -42.6929 -42.6929 -42.5727 -42.5727 -5.0834 -5.0834 -3.9357 -3.9357 -2.6623 -2.6623 -1.2053 -1.2053 0.6970 0.6970 0.7525 0.7525 1.9233 1.9233 2.7309 2.7309 4.7662 4.7662 5.0118 5.0118 5.3482 5.3482 6.0126 6.0126 k = 0.0392-0.0000-0.0000 ( 3535 PWs) bands (ev): -49.0611 -49.0611 -48.9591 -48.9591 -42.6930 -42.6930 -42.5725 -42.5725 -5.0814 -5.0814 -3.9364 -3.9364 -2.6559 -2.6559 -1.1966 -1.1966 0.7034 0.7034 0.7426 0.7426 1.9287 1.9287 2.7022 2.7022 4.7412 4.7412 5.0167 5.0167 5.3884 5.3884 6.0118 6.0118 k = 0.0490-0.0000-0.0000 ( 3527 PWs) bands (ev): -49.0611 -49.0611 -48.9592 -48.9592 -42.6931 -42.6931 -42.5722 -42.5722 -5.0789 -5.0789 -3.9374 -3.9374 -2.6477 -2.6477 -1.1854 -1.1854 0.7116 0.7116 0.7299 0.7299 1.9356 1.9356 2.6667 2.6667 4.7101 4.7101 5.0230 5.0230 5.4384 5.4384 6.0115 6.0115 k = 0.0588-0.0000-0.0000 ( 3527 PWs) bands (ev): -49.0610 -49.0610 -48.9594 -48.9594 -42.6932 -42.6932 -42.5720 -42.5720 -5.0759 -5.0759 -3.9386 -3.9386 -2.6376 -2.6376 -1.1717 -1.1717 0.7145 0.7145 0.7217 0.7217 1.9440 1.9440 2.6253 2.6253 4.6735 4.6735 5.0307 5.0307 5.4970 5.4970 6.0120 6.0120 k = 0.0686-0.0000-0.0000 ( 3515 PWs) bands (ev): -49.0610 -49.0610 -48.9595 -48.9595 -42.6933 -42.6933 -42.5716 -42.5716 -5.0723 -5.0723 -3.9400 -3.9400 -2.6258 -2.6258 -1.1555 -1.1555 0.6964 0.6964 0.7336 0.7336 1.9539 1.9539 2.5786 2.5786 4.6322 4.6322 5.0397 5.0397 5.5625 5.5625 6.0142 6.0142 k = 0.0784-0.0000-0.0000 ( 3519 PWs) bands (ev): -49.0609 -49.0609 -48.9597 -48.9597 -42.6935 -42.6935 -42.5712 -42.5712 -5.0682 -5.0682 -3.9416 -3.9416 -2.6122 -2.6122 -1.1369 -1.1369 0.6756 0.6756 0.7473 0.7473 1.9652 1.9652 2.5277 2.5277 4.5870 4.5870 5.0500 5.0500 5.6330 5.6330 6.0194 6.0194 k = 0.0882-0.0000-0.0000 ( 3523 PWs) bands (ev): -49.0609 -49.0609 -48.9600 -48.9600 -42.6936 -42.6936 -42.5708 -42.5708 -5.0636 -5.0636 -3.9435 -3.9435 -2.5969 -2.5969 -1.1158 -1.1158 0.6521 0.6521 0.7628 0.7628 1.9778 1.9778 2.4732 2.4732 4.5385 4.5385 5.0616 5.0616 5.7053 5.7053 6.0300 6.0300 k = 0.0980-0.0000-0.0000 ( 3519 PWs) bands (ev): -49.0608 -49.0608 -48.9602 -48.9602 -42.6938 -42.6938 -42.5703 -42.5703 -5.0584 -5.0584 -3.9455 -3.9455 -2.5798 -2.5798 -1.0922 -1.0922 0.6262 0.6262 0.7802 0.7802 1.9918 1.9918 2.4158 2.4158 4.4875 4.4875 5.0744 5.0744 5.7741 5.7741 6.0507 6.0507 k = 0.1078-0.0000-0.0000 ( 3523 PWs) bands (ev): -49.0607 -49.0607 -48.9605 -48.9605 -42.6940 -42.6940 -42.5698 -42.5698 -5.0527 -5.0527 -3.9477 -3.9477 -2.5611 -2.5611 -1.0663 -1.0663 0.5978 0.5978 0.7993 0.7993 2.0070 2.0070 2.3563 2.3563 4.4346 4.4346 5.0884 5.0884 5.8314 5.8314 6.0889 6.0889 k = 0.1176-0.0000-0.0000 ( 3519 PWs) bands (ev): -49.0606 -49.0606 -48.9608 -48.9608 -42.6942 -42.6942 -42.5692 -42.5692 -5.0466 -5.0466 -3.9501 -3.9501 -2.5407 -2.5407 -1.0379 -1.0379 0.5670 0.5670 0.8203 0.8203 2.0234 2.0234 2.2952 2.2952 4.3805 4.3805 5.1035 5.1035 5.8709 5.8709 6.1502 6.1502 k = 0.1275-0.0000-0.0000 ( 3519 PWs) bands (ev): -49.0606 -49.0606 -48.9611 -48.9611 -42.6944 -42.6944 -42.5686 -42.5686 -5.0399 -5.0399 -3.9526 -3.9526 -2.5187 -2.5187 -1.0071 -1.0071 0.5339 0.5339 0.8430 0.8430 2.0410 2.0410 2.2330 2.2330 4.3257 4.3257 5.1196 5.1196 5.8940 5.8940 6.2327 6.2327 k = 0.1373-0.0000-0.0000 ( 3523 PWs) bands (ev): -49.0605 -49.0605 -48.9615 -48.9615 -42.6947 -42.6947 -42.5680 -42.5680 -5.0328 -5.0328 -3.9554 -3.9554 -2.4952 -2.4952 -0.9740 -0.9740 0.4987 0.4987 0.8676 0.8676 2.0595 2.0595 2.1701 2.1701 4.2708 4.2708 5.1368 5.1368 5.9068 5.9068 6.3298 6.3298 k = 0.1471-0.0000-0.0000 ( 3505 PWs) bands (ev): -49.0604 -49.0604 -48.9618 -48.9618 -42.6949 -42.6949 -42.5673 -42.5673 -5.0252 -5.0252 -3.9583 -3.9583 -2.4701 -2.4701 -0.9384 -0.9384 0.4615 0.4615 0.8939 0.8939 2.0790 2.0790 2.1069 2.1069 4.2161 4.2161 5.1548 5.1548 5.9139 5.9139 6.4366 6.4366 k = 0.1569-0.0000-0.0000 ( 3499 PWs) bands (ev): -49.0603 -49.0603 -48.9622 -48.9622 -42.6951 -42.6951 -42.5667 -42.5667 -5.0171 -5.0171 -3.9614 -3.9614 -2.4435 -2.4435 -0.9006 -0.9006 0.4224 0.4224 0.9221 0.9221 2.0436 2.0436 2.0993 2.0993 4.1620 4.1620 5.1737 5.1737 5.9180 5.9180 6.3635 6.3635 k = 0.1667-0.0000-0.0000 ( 3487 PWs) bands (ev): -49.0602 -49.0602 -48.9626 -48.9626 -42.6954 -42.6954 -42.5659 -42.5659 -5.0087 -5.0087 -3.9646 -3.9646 -2.4155 -2.4155 -0.8604 -0.8604 0.3815 0.3815 0.9520 0.9520 1.9807 1.9807 2.1203 2.1203 4.1088 4.1088 5.1933 5.1933 5.9203 5.9203 6.2840 6.2840 k = 0.1765-0.0000-0.0000 ( 3493 PWs) bands (ev): -49.0600 -49.0600 -48.9630 -48.9630 -42.6956 -42.6956 -42.5652 -42.5652 -4.9998 -4.9998 -3.9680 -3.9680 -2.3862 -2.3862 -0.8180 -0.8180 0.3390 0.3390 0.9837 0.9837 1.9183 1.9183 2.1418 2.1418 4.0568 4.0568 5.2136 5.2136 5.9215 5.9215 6.2017 6.2017 k = 0.1863-0.0000-0.0000 ( 3475 PWs) bands (ev): -49.0599 -49.0599 -48.9635 -48.9635 -42.6959 -42.6959 -42.5644 -42.5644 -4.9905 -4.9905 -3.9715 -3.9715 -2.3556 -2.3556 -0.7733 -0.7733 0.2951 0.2951 1.0171 1.0171 1.8566 1.8566 2.1638 2.1638 4.0062 4.0062 5.2344 5.2344 5.9222 5.9222 6.1168 6.1168 k = 0.1961-0.0000-0.0000 ( 3481 PWs) bands (ev): -49.0598 -49.0598 -48.9639 -48.9639 -42.6961 -42.6961 -42.5637 -42.5637 -4.9809 -4.9809 -3.9751 -3.9751 -2.3238 -2.3238 -0.7264 -0.7264 0.2500 0.2500 1.0524 1.0524 1.7959 1.7959 2.1861 2.1861 3.9571 3.9571 5.2557 5.2557 5.9224 5.9224 6.0295 6.0295 k = 0.2059-0.0000-0.0000 ( 3485 PWs) bands (ev): -49.0597 -49.0597 -48.9644 -48.9644 -42.6964 -42.6964 -42.5629 -42.5629 -4.9709 -4.9709 -3.9789 -3.9789 -2.2908 -2.2908 -0.6773 -0.6773 0.2038 0.2038 1.0893 1.0893 1.7362 1.7362 2.2084 2.2084 3.9098 3.9098 5.2772 5.2772 5.9223 5.9223 5.9401 5.9401 k = 0.2157-0.0000-0.0000 ( 3489 PWs) bands (ev): -49.0595 -49.0595 -48.9649 -48.9649 -42.6967 -42.6967 -42.5621 -42.5621 -4.9606 -4.9606 -3.9828 -3.9828 -2.2568 -2.2568 -0.6260 -0.6260 0.1567 0.1567 1.1280 1.1280 1.6777 1.6777 2.2307 2.2307 3.8642 3.8642 5.2990 5.2990 5.8488 5.8488 5.9222 5.9222 k = 0.2255-0.0000-0.0000 ( 3489 PWs) bands (ev): -49.0594 -49.0594 -48.9653 -48.9653 -42.6969 -42.6969 -42.5613 -42.5613 -4.9500 -4.9500 -3.9867 -3.9867 -2.2219 -2.2219 -0.5727 -0.5727 0.1089 0.1089 1.1684 1.1684 1.6205 1.6205 2.2527 2.2527 3.8205 3.8205 5.3209 5.3209 5.7558 5.7558 5.9219 5.9219 k = 0.2353-0.0000-0.0000 ( 3485 PWs) bands (ev): -49.0593 -49.0593 -48.9658 -48.9658 -42.6972 -42.6972 -42.5605 -42.5605 -4.9391 -4.9391 -3.9908 -3.9908 -2.1860 -2.1860 -0.5173 -0.5173 0.0607 0.0607 1.2105 1.2105 1.5648 1.5648 2.2741 2.2741 3.7787 3.7787 5.3427 5.3427 5.6613 5.6613 5.9216 5.9216 k = 0.2451-0.0000-0.0000 ( 3507 PWs) bands (ev): -49.0591 -49.0591 -48.9663 -48.9663 -42.6975 -42.6975 -42.5597 -42.5597 -4.9280 -4.9280 -3.9950 -3.9950 -2.1494 -2.1494 -0.4600 -0.4600 0.0121 0.0121 1.2543 1.2543 1.5106 1.5106 2.2949 2.2949 3.7388 3.7388 5.3643 5.3643 5.5656 5.5656 5.9212 5.9212 k = 0.2549-0.0000-0.0000 ( 3511 PWs) bands (ev): -49.0590 -49.0590 -48.9668 -48.9668 -42.6977 -42.6977 -42.5589 -42.5589 -4.9167 -4.9167 -3.9992 -3.9992 -2.1122 -2.1122 -0.4007 -0.4007 -0.0365 -0.0365 1.2998 1.2998 1.4580 1.4580 2.3146 2.3146 3.7008 3.7008 5.3855 5.3855 5.4687 5.4687 5.9209 5.9209 k = 0.2647-0.0000-0.0000 ( 3511 PWs) bands (ev): -49.0588 -49.0588 -48.9673 -48.9673 -42.6980 -42.6980 -42.5581 -42.5581 -4.9052 -4.9052 -4.0036 -4.0036 -2.0744 -2.0744 -0.3395 -0.3395 -0.0851 -0.0851 1.3470 1.3470 1.4070 1.4070 2.3331 2.3331 3.6648 3.6648 5.3710 5.3710 5.4064 5.4064 5.9206 5.9206 k = 0.2745-0.0000-0.0000 ( 3503 PWs) bands (ev): -49.0587 -49.0587 -48.9678 -48.9678 -42.6982 -42.6982 -42.5573 -42.5573 -4.8936 -4.8936 -4.0079 -4.0079 -2.0362 -2.0362 -0.2766 -0.2766 -0.1333 -0.1333 1.3578 1.3578 1.3958 1.3958 2.3500 2.3500 3.6306 3.6306 5.2725 5.2725 5.4266 5.4266 5.9203 5.9203 k = 0.2843-0.0000-0.0000 ( 3491 PWs) bands (ev): -49.0585 -49.0585 -48.9682 -48.9682 -42.6984 -42.6984 -42.5565 -42.5565 -4.8819 -4.8819 -4.0123 -4.0123 -1.9977 -1.9977 -0.2120 -0.2120 -0.1811 -0.1811 1.3104 1.3104 1.4463 1.4463 2.3651 2.3651 3.5984 3.5984 5.1735 5.1735 5.4461 5.4461 5.9201 5.9201 k = 0.2941-0.0000-0.0000 ( 3491 PWs) bands (ev): -49.0584 -49.0584 -48.9687 -48.9687 -42.6987 -42.6987 -42.5557 -42.5557 -4.8701 -4.8701 -4.0168 -4.0168 -1.9591 -1.9591 -0.2282 -0.2282 -0.1457 -0.1457 1.2647 1.2647 1.4983 1.4983 2.3781 2.3781 3.5680 3.5680 5.0741 5.0741 5.4648 5.4648 5.9198 5.9198 k = 0.3039-0.0000-0.0000 ( 3497 PWs) bands (ev): -49.0583 -49.0583 -48.9692 -48.9692 -42.6989 -42.6989 -42.5550 -42.5550 -4.8583 -4.8583 -4.0213 -4.0213 -1.9206 -1.9206 -0.2744 -0.2744 -0.0779 -0.0779 1.2210 1.2210 1.5519 1.5519 2.3886 2.3886 3.5394 3.5394 4.9745 4.9745 5.4826 5.4826 5.9196 5.9196 k = 0.3137-0.0000-0.0000 ( 3493 PWs) bands (ev): -49.0581 -49.0581 -48.9697 -48.9697 -42.6991 -42.6991 -42.5543 -42.5543 -4.8465 -4.8465 -4.0258 -4.0258 -1.8822 -1.8822 -0.3196 -0.3196 -0.0088 -0.0088 1.1792 1.1792 1.6071 1.6071 2.3965 2.3965 3.5126 3.5126 4.8749 4.8749 5.4994 5.4994 5.9194 5.9194 k = 0.3235-0.0000-0.0000 ( 3499 PWs) bands (ev): -49.0580 -49.0580 -48.9701 -48.9701 -42.6993 -42.6993 -42.5536 -42.5536 -4.8348 -4.8348 -4.0303 -4.0303 -1.8441 -1.8441 -0.3636 -0.3636 0.0617 0.0617 1.1393 1.1393 1.6638 1.6638 2.4013 2.4013 3.4875 3.4875 4.7753 4.7753 5.5152 5.5152 5.9193 5.9193 k = 0.3333-0.0000-0.0000 ( 3491 PWs) bands (ev): -49.0578 -49.0578 -48.9706 -48.9706 -42.6995 -42.6995 -42.5529 -42.5529 -4.8232 -4.8232 -4.0347 -4.0347 -1.8066 -1.8066 -0.4062 -0.4062 0.1332 0.1332 1.1014 1.1014 1.7220 1.7220 2.4029 2.4029 3.4640 3.4640 4.6759 4.6759 5.5299 5.5299 5.9192 5.9192 k = 0.3431-0.0000-0.0000 ( 3487 PWs) bands (ev): -49.0577 -49.0577 -48.9710 -48.9710 -42.6997 -42.6997 -42.5522 -42.5522 -4.8119 -4.8119 -4.0391 -4.0391 -1.7697 -1.7697 -0.4473 -0.4473 0.2057 0.2057 1.0656 1.0656 1.7815 1.7815 2.4009 2.4009 3.4422 3.4422 4.5770 4.5770 5.5436 5.5436 5.9191 5.9191 k = 0.3529-0.0000-0.0000 ( 3475 PWs) bands (ev): -49.0575 -49.0575 -48.9714 -48.9714 -42.6999 -42.6999 -42.5516 -42.5516 -4.8007 -4.8007 -4.0435 -4.0435 -1.7337 -1.7337 -0.4866 -0.4866 0.2790 0.2790 1.0318 1.0318 1.8425 1.8425 2.3953 2.3953 3.4220 3.4220 4.4786 4.4786 5.5563 5.5563 5.9191 5.9191 k = 0.3627-0.0000-0.0000 ( 3475 PWs) bands (ev): -49.0574 -49.0574 -48.9718 -48.9718 -42.7001 -42.7001 -42.5510 -42.5510 -4.7899 -4.7899 -4.0477 -4.0477 -1.6988 -1.6988 -0.5241 -0.5241 0.3528 0.3528 1.0000 1.0000 1.9048 1.9048 2.3858 2.3858 3.4033 3.4033 4.3809 4.3809 5.5680 5.5680 5.9190 5.9190 k = 0.3725-0.0000-0.0000 ( 3479 PWs) bands (ev): -49.0573 -49.0573 -48.9722 -48.9722 -42.7002 -42.7002 -42.5504 -42.5504 -4.7794 -4.7794 -4.0519 -4.0519 -1.6652 -1.6652 -0.5597 -0.5597 0.4269 0.4269 0.9704 0.9704 1.9682 1.9682 2.3724 2.3724 3.3861 3.3861 4.2841 4.2841 5.5787 5.5787 5.9189 5.9189 k = 0.3824-0.0000-0.0000 ( 3479 PWs) bands (ev): -49.0572 -49.0572 -48.9726 -48.9726 -42.7004 -42.7004 -42.5499 -42.5499 -4.7694 -4.7694 -4.0559 -4.0559 -1.6330 -1.6330 -0.5932 -0.5932 0.5010 0.5010 0.9428 0.9428 2.0328 2.0328 2.3551 2.3551 3.3704 3.3704 4.1883 4.1883 5.5887 5.5887 5.9189 5.9189 k = 0.3922-0.0000-0.0000 ( 3487 PWs) bands (ev): -49.0571 -49.0571 -48.9729 -48.9729 -42.7005 -42.7005 -42.5494 -42.5494 -4.7598 -4.7598 -4.0598 -4.0598 -1.6025 -1.6025 -0.6244 -0.6244 0.5748 0.5748 0.9174 0.9174 2.0984 2.0984 2.3340 2.3340 3.3560 3.3560 4.0938 4.0938 5.5978 5.5978 5.9189 5.9189 k = 0.4020-0.0000-0.0000 ( 3487 PWs) bands (ev): -49.0569 -49.0569 -48.9732 -48.9732 -42.7006 -42.7006 -42.5489 -42.5489 -4.7508 -4.7508 -4.0635 -4.0635 -1.5738 -1.5738 -0.6533 -0.6533 0.6477 0.6477 0.8942 0.8942 2.1648 2.1648 2.3093 2.3093 3.3431 3.3431 4.0008 4.0008 5.6063 5.6063 5.9189 5.9189 k = 0.4118-0.0000-0.0000 ( 3488 PWs) bands (ev): -49.0569 -49.0569 -48.9735 -48.9735 -42.7008 -42.7008 -42.5485 -42.5485 -4.7424 -4.7424 -4.0670 -4.0670 -1.5472 -1.5472 -0.6798 -0.6798 0.7193 0.7193 0.8731 0.8731 2.2317 2.2317 2.2815 2.2815 3.3314 3.3314 3.9096 3.9096 5.6141 5.6141 5.9189 5.9189 k = 0.4216-0.0000-0.0000 ( 3482 PWs) bands (ev): -49.0568 -49.0568 -48.9738 -48.9738 -42.7009 -42.7009 -42.5481 -42.5481 -4.7347 -4.7347 -4.0702 -4.0702 -1.5228 -1.5228 -0.7037 -0.7037 0.7890 0.7890 0.8542 0.8542 2.2511 2.2511 2.2988 2.2988 3.3211 3.3211 3.8206 3.8206 5.6212 5.6212 5.9190 5.9190 k = 0.4314-0.0000-0.0000 ( 3486 PWs) bands (ev): -49.0567 -49.0567 -48.9740 -48.9740 -42.7010 -42.7010 -42.5478 -42.5478 -4.7277 -4.7277 -4.0731 -4.0731 -1.5008 -1.5008 -0.7251 -0.7251 0.8374 0.8374 0.8559 0.8559 2.2187 2.2187 2.3657 2.3657 3.3121 3.3121 3.7343 3.7343 5.6278 5.6278 5.9190 5.9190 k = 0.4412-0.0000-0.0000 ( 3486 PWs) bands (ev): -49.0566 -49.0566 -48.9742 -48.9742 -42.7010 -42.7010 -42.5475 -42.5475 -4.7215 -4.7215 -4.0757 -4.0757 -1.4814 -1.4814 -0.7437 -0.7437 0.8229 0.8229 0.9191 0.9191 2.1854 2.1854 2.4317 2.4317 3.3043 3.3043 3.6514 3.6514 5.6336 5.6336 5.9190 5.9190 k = 0.4510-0.0000-0.0000 ( 3490 PWs) bands (ev): -49.0566 -49.0566 -48.9744 -48.9744 -42.7011 -42.7011 -42.5473 -42.5473 -4.7161 -4.7161 -4.0780 -4.0780 -1.4646 -1.4646 -0.7596 -0.7596 0.8106 0.8106 0.9773 0.9773 2.1524 2.1524 2.4957 2.4957 3.2978 3.2978 3.5731 3.5731 5.6387 5.6387 5.9190 5.9190 k = 0.4608-0.0000-0.0000 ( 3500 PWs) bands (ev): -49.0565 -49.0565 -48.9745 -48.9745 -42.7012 -42.7012 -42.5471 -42.5471 -4.7117 -4.7117 -4.0799 -4.0799 -1.4508 -1.4508 -0.7727 -0.7727 0.8005 0.8005 1.0290 1.0290 2.1213 2.1213 2.5561 2.5561 3.2924 3.2924 3.5008 3.5008 5.6430 5.6430 5.9190 5.9190 k = 0.4706-0.0000-0.0000 ( 3506 PWs) bands (ev): -49.0565 -49.0565 -48.9746 -48.9746 -42.7012 -42.7012 -42.5469 -42.5469 -4.7082 -4.7082 -4.0814 -4.0814 -1.4399 -1.4399 -0.7829 -0.7829 0.7927 0.7927 1.0723 1.0723 2.0938 2.0938 2.6105 2.6105 3.2883 3.2883 3.4372 3.4372 5.6465 5.6465 5.9190 5.9190 k = 0.4804-0.0000-0.0000 ( 3506 PWs) bands (ev): -49.0564 -49.0564 -48.9747 -48.9747 -42.7012 -42.7012 -42.5468 -42.5468 -4.7057 -4.7057 -4.0825 -4.0825 -1.4320 -1.4320 -0.7902 -0.7902 0.7871 0.7871 1.1054 1.1054 2.0721 2.0721 2.6552 2.6552 3.2853 3.2853 3.3859 3.3859 5.6490 5.6490 5.9190 5.9190 k = 0.4902-0.0000-0.0000 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7012 -42.7012 -42.5467 -42.5467 -4.7041 -4.7041 -4.0831 -4.0831 -1.4273 -1.4273 -0.7946 -0.7946 0.7837 0.7837 1.1263 1.1263 2.0580 2.0580 2.6853 2.6853 3.2836 3.2836 3.3518 3.3518 5.6506 5.6506 5.9190 5.9190 k = 0.5000-0.0000-0.0000 ( 3494 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7036 -4.7036 -4.0834 -4.0834 -1.4257 -1.4257 -0.7961 -0.7961 0.7826 0.7826 1.1334 1.1334 2.0532 2.0532 2.6961 2.6961 3.2830 3.2830 3.3397 3.3397 5.6511 5.6511 5.9190 5.9190 k = 0.5000-0.0000-0.0000 ( 3494 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7036 -4.7036 -4.0834 -4.0834 -1.4257 -1.4257 -0.7961 -0.7961 0.7826 0.7826 1.1334 1.1334 2.0532 2.0532 2.6961 2.6961 3.2830 3.2830 3.3397 3.3397 5.6511 5.6511 5.9190 5.9190 k = 0.5000 0.0096-0.0000 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7012 -42.7012 -42.5468 -42.5468 -4.7031 -4.7031 -4.0828 -4.0828 -1.4310 -1.4310 -0.7997 -0.7997 0.7892 0.7892 1.1346 1.1346 2.0545 2.0545 2.6963 2.6963 3.2643 3.2643 3.3640 3.3640 5.6488 5.6488 5.9203 5.9203 k = 0.5000 0.0193-0.0000 ( 3494 PWs) bands (ev): -49.0563 -49.0563 -48.9749 -48.9749 -42.7010 -42.7010 -42.5469 -42.5469 -4.7016 -4.7016 -4.0810 -4.0810 -1.4469 -1.4469 -0.8105 -0.8105 0.8087 0.8087 1.1382 1.1382 2.0584 2.0584 2.6970 2.6970 3.2353 3.2353 3.4097 3.4097 5.6419 5.6419 5.9239 5.9239 k = 0.5000 0.0289-0.0000 ( 3498 PWs) bands (ev): -49.0561 -49.0561 -48.9751 -48.9751 -42.7007 -42.7007 -42.5472 -42.5472 -4.6991 -4.6991 -4.0781 -4.0781 -1.4728 -1.4728 -0.8284 -0.8284 0.8406 0.8406 1.1442 1.1442 2.0650 2.0650 2.6980 2.6980 3.2083 3.2083 3.4644 3.4644 5.6304 5.6304 5.9301 5.9301 k = 0.5000 0.0386-0.0000 ( 3494 PWs) bands (ev): -49.0559 -49.0559 -48.9753 -48.9753 -42.7003 -42.7003 -42.5476 -42.5476 -4.6955 -4.6955 -4.0741 -4.0741 -1.5078 -1.5078 -0.8530 -0.8530 0.8839 0.8839 1.1527 1.1527 2.0742 2.0742 2.6995 2.6995 3.1845 3.1845 3.5265 3.5265 5.6143 5.6143 5.9387 5.9387 k = 0.5000 0.0482-0.0000 ( 3494 PWs) bands (ev): -49.0556 -49.0556 -48.9756 -48.9756 -42.6998 -42.6998 -42.5482 -42.5482 -4.6909 -4.6909 -4.0688 -4.0688 -1.5509 -1.5509 -0.8840 -0.8840 0.9377 0.9377 1.1635 1.1635 2.0860 2.0860 2.7015 2.7015 3.1639 3.1639 3.5957 3.5957 5.5936 5.5936 5.9499 5.9499 k = 0.5000 0.0579-0.0000 ( 3494 PWs) bands (ev): -49.0553 -49.0553 -48.9759 -48.9759 -42.6991 -42.6991 -42.5488 -42.5488 -4.6853 -4.6853 -4.0624 -4.0624 -1.6009 -1.6009 -0.9209 -0.9209 1.0008 1.0008 1.1768 1.1768 2.1004 2.1004 2.7038 2.7038 3.1460 3.1460 3.6719 3.6719 5.5683 5.5683 5.9635 5.9635 k = 0.5000 0.0675-0.0000 ( 3498 PWs) bands (ev): -49.0549 -49.0549 -48.9763 -48.9763 -42.6984 -42.6984 -42.5496 -42.5496 -4.6787 -4.6787 -4.0548 -4.0548 -1.6569 -1.6569 -0.9633 -0.9633 1.0719 1.0719 1.1924 1.1924 2.1174 2.1174 2.7065 2.7065 3.1306 3.1306 3.7550 3.7550 5.5384 5.5384 5.9798 5.9798 k = 0.5000 0.0772-0.0000 ( 3500 PWs) bands (ev): -49.0544 -49.0544 -48.9768 -48.9768 -42.6975 -42.6975 -42.5505 -42.5505 -4.6711 -4.6711 -4.0461 -4.0461 -1.7176 -1.7176 -1.0106 -1.0106 1.1501 1.1501 1.2105 1.2105 2.1371 2.1371 2.7097 2.7097 3.1171 3.1171 3.8448 3.8448 5.5038 5.5038 5.9987 5.9987 k = 0.5000 0.0868-0.0000 ( 3504 PWs) bands (ev): -49.0539 -49.0539 -48.9773 -48.9773 -42.6965 -42.6965 -42.5515 -42.5515 -4.6624 -4.6624 -4.0361 -4.0361 -1.7823 -1.7823 -1.0624 -1.0624 1.2308 1.2308 1.2344 1.2344 2.1593 2.1593 2.7132 2.7132 3.1054 3.1054 3.9411 3.9411 5.4647 5.4647 6.0202 6.0202 k = 0.5000 0.0965-0.0000 ( 3496 PWs) bands (ev): -49.0533 -49.0533 -48.9779 -48.9779 -42.6954 -42.6954 -42.5526 -42.5526 -4.6526 -4.6526 -4.0249 -4.0249 -1.8501 -1.8501 -1.1180 -1.1180 1.2537 1.2537 1.3236 1.3236 2.1842 2.1842 2.7172 2.7172 3.0951 3.0951 4.0435 4.0435 5.4211 5.4211 6.0446 6.0446 k = 0.5000 0.1061-0.0000 ( 3500 PWs) bands (ev): -49.0527 -49.0527 -48.9785 -48.9785 -42.6942 -42.6942 -42.5538 -42.5538 -4.6418 -4.6418 -4.0126 -4.0126 -1.9203 -1.9203 -1.1771 -1.1771 1.2788 1.2788 1.4172 1.4172 2.2116 2.2116 2.7215 2.7215 3.0859 3.0859 4.1518 4.1518 5.3731 5.3731 6.0718 6.0718 k = 0.5000 0.1158-0.0000 ( 3492 PWs) bands (ev): -49.0520 -49.0520 -48.9792 -48.9792 -42.6928 -42.6928 -42.5551 -42.5551 -4.6299 -4.6299 -3.9990 -3.9990 -1.9923 -1.9923 -1.2391 -1.2391 1.3064 1.3064 1.5144 1.5144 2.2416 2.2416 2.7263 2.7263 3.0777 3.0777 4.2655 4.2655 5.3208 5.3208 6.0724 6.0724 k = 0.5000 0.1254-0.0000 ( 3484 PWs) bands (ev): -49.0512 -49.0512 -48.9800 -48.9800 -42.6914 -42.6914 -42.5566 -42.5566 -4.6169 -4.6169 -3.9842 -3.9842 -2.0656 -2.0656 -1.3036 -1.3036 1.3363 1.3363 1.6146 1.6146 2.2742 2.2742 2.7314 2.7314 3.0702 3.0702 4.3841 4.3841 5.2643 5.2643 6.0260 6.0260 k = 0.5000 0.1351-0.0000 ( 3484 PWs) bands (ev): -49.0504 -49.0504 -48.9808 -48.9808 -42.6899 -42.6899 -42.5581 -42.5581 -4.6029 -4.6029 -3.9681 -3.9681 -2.1398 -2.1398 -1.3701 -1.3701 1.3685 1.3685 1.7171 1.7171 2.3094 2.3094 2.7369 2.7369 3.0633 3.0633 4.5071 4.5071 5.2039 5.2039 5.9786 5.9786 k = 0.5000 0.1447-0.0000 ( 3492 PWs) bands (ev): -49.0495 -49.0495 -48.9817 -48.9817 -42.6882 -42.6882 -42.5597 -42.5597 -4.5878 -4.5878 -3.9509 -3.9509 -2.2145 -2.2145 -1.4383 -1.4383 1.4030 1.4030 1.8216 1.8216 2.3471 2.3471 2.7428 2.7428 3.0570 3.0570 4.6339 4.6339 5.1396 5.1396 5.9306 5.9306 k = 0.5000 0.1544-0.0000 ( 3500 PWs) bands (ev): -49.0486 -49.0486 -48.9826 -48.9826 -42.6865 -42.6865 -42.5615 -42.5615 -4.5715 -4.5715 -3.9324 -3.9324 -2.2893 -2.2893 -1.5078 -1.5078 1.4399 1.4399 1.9274 1.9274 2.3873 2.3873 2.7491 2.7491 3.0510 3.0510 4.7634 4.7634 5.0718 5.0718 5.8832 5.8832 k = 0.5000 0.1640-0.0000 ( 3488 PWs) bands (ev): -49.0476 -49.0476 -48.9835 -48.9835 -42.6847 -42.6847 -42.5633 -42.5633 -4.5542 -4.5542 -3.9126 -3.9126 -2.3641 -2.3641 -1.5783 -1.5783 1.4790 1.4790 2.0342 2.0342 2.4301 2.4301 2.7559 2.7559 3.0453 3.0453 4.8942 4.8942 5.0007 5.0007 5.8376 5.8376 k = 0.5000 0.1737-0.0000 ( 3484 PWs) bands (ev): -49.0466 -49.0466 -48.9845 -48.9845 -42.6828 -42.6828 -42.5652 -42.5652 -4.5357 -4.5357 -3.8915 -3.8915 -2.4386 -2.4386 -1.6495 -1.6495 1.5205 1.5205 2.1415 2.1415 2.4753 2.4753 2.7632 2.7632 3.0399 3.0399 4.9265 4.9265 5.0237 5.0237 5.7964 5.7964 k = 0.5000 0.1833-0.0000 ( 3488 PWs) bands (ev): -49.0455 -49.0455 -48.9856 -48.9856 -42.6808 -42.6808 -42.5673 -42.5673 -4.5160 -4.5160 -3.8691 -3.8691 -2.5126 -2.5126 -1.7213 -1.7213 1.5641 1.5641 2.2487 2.2487 2.5231 2.5231 2.7712 2.7712 3.0346 3.0346 4.8495 4.8495 5.1466 5.1466 5.7649 5.7649 k = 0.5000 0.1930-0.0000 ( 3484 PWs) bands (ev): -49.0444 -49.0444 -48.9867 -48.9867 -42.6787 -42.6787 -42.5694 -42.5694 -4.4952 -4.4952 -3.8455 -3.8455 -2.5860 -2.5860 -1.7932 -1.7932 1.6101 1.6101 2.3553 2.3553 2.5732 2.5732 2.7801 2.7801 3.0294 3.0294 4.7701 4.7701 5.2519 5.2519 5.7537 5.7537 k = 0.5000 0.2026-0.0000 ( 3484 PWs) bands (ev): -49.0433 -49.0433 -48.9879 -48.9879 -42.6765 -42.6765 -42.5715 -42.5715 -4.4732 -4.4732 -3.8205 -3.8205 -2.6587 -2.6587 -1.8652 -1.8652 1.6582 1.6582 2.4602 2.4602 2.6258 2.6258 2.7907 2.7907 3.0243 3.0243 4.6884 4.6884 5.3213 5.3213 5.7813 5.7813 k = 0.5000 0.2123-0.0000 ( 3484 PWs) bands (ev): -49.0421 -49.0421 -48.9891 -48.9891 -42.6742 -42.6742 -42.5738 -42.5738 -4.4500 -4.4500 -3.7942 -3.7942 -2.7305 -2.7305 -1.9370 -1.9370 1.7086 1.7086 2.5617 2.5617 2.6808 2.6808 2.8044 2.8044 3.0192 3.0192 4.6049 4.6049 5.3428 5.3428 5.8595 5.8595 k = 0.5000 0.2219-0.0000 ( 3490 PWs) bands (ev): -49.0408 -49.0408 -48.9903 -48.9903 -42.6719 -42.6719 -42.5762 -42.5762 -4.4257 -4.4257 -3.7666 -3.7666 -2.8013 -2.8013 -2.0085 -2.0085 1.7611 1.7611 2.6549 2.6549 2.7381 2.7381 2.8259 2.8259 3.0142 3.0142 4.5198 4.5198 5.3269 5.3269 5.9776 5.9776 k = 0.5000 0.2316-0.0000 ( 3494 PWs) bands (ev): -49.0396 -49.0396 -48.9916 -48.9916 -42.6694 -42.6694 -42.5786 -42.5786 -4.4001 -4.4001 -3.7376 -3.7376 -2.8711 -2.8711 -2.0795 -2.0795 1.8157 1.8157 2.7270 2.7270 2.7975 2.7975 2.8676 2.8676 3.0091 3.0091 4.4335 4.4335 5.2906 5.2906 5.9537 5.9537 k = 0.5000 0.2412-0.0000 ( 3490 PWs) bands (ev): -49.0382 -49.0382 -48.9929 -48.9929 -42.6670 -42.6670 -42.5811 -42.5811 -4.3732 -4.3732 -3.7073 -3.7073 -2.9397 -2.9397 -2.1499 -2.1499 1.8725 1.8725 2.7675 2.7675 2.8591 2.8591 2.9398 2.9398 3.0040 3.0040 4.3463 4.3463 5.2438 5.2438 5.8308 5.8308 k = 0.5000 0.2508-0.0000 ( 3496 PWs) bands (ev): -49.0369 -49.0369 -48.9942 -48.9942 -42.6644 -42.6644 -42.5836 -42.5836 -4.3452 -4.3452 -3.6757 -3.6757 -3.0072 -3.0072 -2.2197 -2.2197 1.9313 1.9313 2.7887 2.7887 2.9227 2.9227 2.9988 2.9988 3.0300 3.0300 4.2586 4.2586 5.1911 5.1911 5.7087 5.7087 k = 0.5000 0.2605-0.0000 ( 3496 PWs) bands (ev): -49.0355 -49.0355 -48.9956 -48.9956 -42.6618 -42.6618 -42.5863 -42.5863 -4.3158 -4.3158 -3.6427 -3.6427 -3.0733 -3.0733 -2.2886 -2.2886 1.9922 1.9922 2.8028 2.8028 2.9878 2.9878 2.9936 2.9936 3.1259 3.1259 4.1709 4.1709 5.1349 5.1349 5.5874 5.5874 k = 0.5000 0.2701-0.0000 ( 3488 PWs) bands (ev): -49.0341 -49.0341 -48.9970 -48.9970 -42.6591 -42.6591 -42.5889 -42.5889 -4.2852 -4.2852 -3.6084 -3.6084 -3.1382 -3.1382 -2.3566 -2.3566 2.0551 2.0551 2.8140 2.8140 2.9881 2.9881 3.0545 3.0545 3.2229 3.2229 4.0837 4.0837 5.0762 5.0762 5.4671 5.4671 k = 0.5000 0.2798-0.0000 ( 3492 PWs) bands (ev): -49.0326 -49.0326 -48.9985 -48.9985 -42.6564 -42.6564 -42.5917 -42.5917 -4.2533 -4.2533 -3.5727 -3.5727 -3.2016 -3.2016 -2.4236 -2.4236 2.1199 2.1199 2.8240 2.8240 2.9826 2.9826 3.1217 3.1217 3.3195 3.3195 3.9979 3.9979 5.0157 5.0157 5.3480 5.3480 k = 0.5000 0.2894-0.0000 ( 3484 PWs) bands (ev): -49.0312 -49.0312 -48.9999 -48.9999 -42.6536 -42.6536 -42.5945 -42.5945 -4.2201 -4.2201 -3.5359 -3.5359 -3.2635 -3.2635 -2.4896 -2.4896 2.1866 2.1866 2.8332 2.8332 2.9770 2.9770 3.1884 3.1884 3.4148 3.4148 3.9150 3.9150 4.9537 4.9537 5.2303 5.2303 k = 0.5000 0.2991-0.0000 ( 3480 PWs) bands (ev): -49.0297 -49.0297 -49.0014 -49.0014 -42.6508 -42.6508 -42.5973 -42.5973 -4.1856 -4.1856 -3.4983 -3.4983 -3.3234 -3.3234 -2.5544 -2.5544 2.2552 2.2552 2.8421 2.8421 2.9712 2.9712 3.2522 3.2522 3.5085 3.5085 3.8373 3.8373 4.8904 4.8904 5.1140 5.1140 k = 0.5000 0.3087-0.0000 ( 3472 PWs) bands (ev): -49.0282 -49.0282 -49.0029 -49.0029 -42.6479 -42.6479 -42.6002 -42.6002 -4.1497 -4.1497 -3.4621 -3.4621 -3.3791 -3.3791 -2.6181 -2.6181 2.3256 2.3256 2.8506 2.8506 2.9653 2.9653 3.3079 3.3079 3.6004 3.6004 3.7704 3.7704 4.8259 4.8259 4.9993 4.9993 k = 0.5000 0.3184-0.0000 ( 3472 PWs) bands (ev): -49.0266 -49.0266 -49.0045 -49.0045 -42.6450 -42.6450 -42.6031 -42.6031 -4.1125 -4.1125 -3.4570 -3.4570 -3.4009 -3.4009 -2.6806 -2.6806 2.3977 2.3977 2.8589 2.8589 2.9593 2.9593 3.3446 3.3446 3.6904 3.6904 3.7251 3.7251 4.7603 4.7603 4.8863 4.8863 k = 0.5000 0.3280-0.0000 ( 3476 PWs) bands (ev): -49.0251 -49.0251 -49.0060 -49.0060 -42.6421 -42.6421 -42.6060 -42.6060 -4.0740 -4.0740 -3.5055 -3.5055 -3.3662 -3.3662 -2.7418 -2.7418 2.4714 2.4714 2.8670 2.8670 2.9531 2.9531 3.3469 3.3469 3.7171 3.7171 3.7784 3.7784 4.6935 4.6935 4.7751 4.7751 k = 0.5000 0.3377-0.0000 ( 3484 PWs) bands (ev): -49.0235 -49.0235 -49.0076 -49.0076 -42.6391 -42.6391 -42.6090 -42.6090 -4.0341 -4.0341 -3.5593 -3.5593 -3.3234 -3.3234 -2.8017 -2.8017 2.5467 2.5467 2.8750 2.8750 2.9467 2.9467 3.3111 3.3111 3.7500 3.7500 3.8644 3.8644 4.6255 4.6255 4.6658 4.6658 k = 0.5000 0.3473-0.0000 ( 3476 PWs) bands (ev): -49.0219 -49.0219 -49.0092 -49.0092 -42.6361 -42.6361 -42.6119 -42.6119 -3.9928 -3.9928 -3.6127 -3.6127 -3.2781 -3.2781 -2.8603 -2.8603 2.6234 2.6234 2.8828 2.8828 2.9402 2.9402 3.2509 3.2509 3.8105 3.8105 3.9484 3.9484 4.5563 4.5563 4.5586 4.5586 k = 0.5000 0.3570-0.0000 ( 3478 PWs) bands (ev): -49.0203 -49.0203 -49.0108 -49.0108 -42.6331 -42.6331 -42.6150 -42.6150 -3.9501 -3.9501 -3.6649 -3.6649 -3.2311 -3.2311 -2.9176 -2.9176 2.7014 2.7014 2.8905 2.8905 2.9336 2.9336 3.1789 3.1789 3.8859 3.8859 4.0305 4.0305 4.4535 4.4535 4.4858 4.4858 k = 0.5000 0.3666-0.0000 ( 3474 PWs) bands (ev): -49.0188 -49.0188 -49.0123 -49.0123 -42.6301 -42.6301 -42.6180 -42.6180 -3.9061 -3.9061 -3.7159 -3.7159 -3.1825 -3.1825 -2.9734 -2.9734 2.7805 2.7805 2.8981 2.8981 2.9268 2.9268 3.1014 3.1014 3.9700 3.9700 4.1106 4.1106 4.3508 4.3508 4.4139 4.4139 k = 0.5000 0.3763-0.0000 ( 3472 PWs) bands (ev): -49.0172 -49.0172 -49.0139 -49.0139 -42.6271 -42.6271 -42.6210 -42.6210 -3.8606 -3.8606 -3.7655 -3.7655 -3.1324 -3.1324 -3.0278 -3.0278 2.8605 2.8605 2.9055 2.9055 2.9198 2.9198 3.0217 3.0217 4.0597 4.0597 4.1890 4.1890 4.2507 4.2507 4.3405 4.3405 k = 0.5000 0.3859-0.0000 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8139 -3.8139 -3.8136 -3.8136 -3.0809 -3.0809 -3.0809 -3.0809 2.9127 2.9127 2.9127 2.9127 2.9411 2.9411 2.9411 2.9411 4.1535 4.1535 4.1535 4.1535 4.2655 4.2655 4.2656 4.2656 k = 0.5000 0.3859-0.0000 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8139 -3.8139 -3.8136 -3.8136 -3.0809 -3.0809 -3.0809 -3.0809 2.9127 2.9127 2.9127 2.9127 2.9411 2.9411 2.9411 2.9411 4.1535 4.1535 4.1535 4.1535 4.2655 4.2655 4.2656 4.2656 k = 0.4902 0.3859-0.0000 ( 3486 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6241 -42.6241 -42.6240 -42.6240 -3.8143 -3.8143 -3.8141 -3.8141 -3.0807 -3.0807 -3.0807 -3.0807 2.9139 2.9139 2.9140 2.9140 2.9365 2.9365 2.9365 2.9365 4.1558 4.1558 4.1558 4.1558 4.2659 4.2659 4.2659 4.2659 k = 0.4804 0.3859-0.0000 ( 3494 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6241 -42.6241 -42.6241 -42.6241 -3.8156 -3.8156 -3.8153 -3.8153 -3.0801 -3.0801 -3.0801 -3.0801 2.9176 2.9176 2.9177 2.9177 2.9227 2.9227 2.9227 2.9227 4.1624 4.1624 4.1624 4.1624 4.2668 4.2668 4.2669 4.2669 k = 0.4706 0.3859-0.0000 ( 3490 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6241 -42.6241 -42.6241 -42.6241 -3.8176 -3.8176 -3.8174 -3.8174 -3.0791 -3.0791 -3.0791 -3.0791 2.9004 2.9004 2.9004 2.9004 2.9238 2.9238 2.9238 2.9238 4.1729 4.1729 4.1730 4.1730 4.2684 4.2684 4.2684 4.2684 k = 0.4608 0.3859-0.0000 ( 3478 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6242 -42.6242 -42.6242 -42.6242 -3.8206 -3.8206 -3.8203 -3.8203 -3.0778 -3.0778 -3.0778 -3.0778 2.8702 2.8702 2.8702 2.8702 2.9324 2.9324 2.9324 2.9324 4.1866 4.1866 4.1866 4.1866 4.2706 4.2706 4.2706 4.2706 k = 0.4510 0.3859-0.0000 ( 3478 PWs) bands (ev): -49.0154 -49.0154 -49.0154 -49.0154 -42.6243 -42.6243 -42.6242 -42.6242 -3.8243 -3.8243 -3.8240 -3.8240 -3.0761 -3.0761 -3.0761 -3.0761 2.8330 2.8330 2.8330 2.8330 2.9435 2.9435 2.9435 2.9435 4.2025 4.2025 4.2026 4.2026 4.2734 4.2734 4.2735 4.2735 k = 0.4412 0.3859-0.0000 ( 3486 PWs) bands (ev): -49.0154 -49.0154 -49.0154 -49.0154 -42.6243 -42.6243 -42.6243 -42.6243 -3.8287 -3.8287 -3.8285 -3.8285 -3.0741 -3.0741 -3.0741 -3.0741 2.7898 2.7898 2.7898 2.7898 2.9570 2.9570 2.9571 2.9571 4.2199 4.2199 4.2199 4.2199 4.2768 4.2768 4.2769 4.2769 k = 0.4314 0.3859-0.0000 ( 3490 PWs) bands (ev): -49.0153 -49.0153 -49.0153 -49.0153 -42.6244 -42.6244 -42.6244 -42.6244 -3.8339 -3.8339 -3.8337 -3.8337 -3.0717 -3.0717 -3.0717 -3.0717 2.7415 2.7415 2.7415 2.7415 2.9730 2.9730 2.9730 2.9730 4.2378 4.2378 4.2378 4.2378 4.2808 4.2808 4.2809 4.2809 k = 0.4216 0.3859-0.0000 ( 3486 PWs) bands (ev): -49.0152 -49.0152 -49.0152 -49.0152 -42.6246 -42.6246 -42.6246 -42.6246 -3.8399 -3.8399 -3.8396 -3.8396 -3.0691 -3.0691 -3.0691 -3.0691 2.6890 2.6890 2.6890 2.6890 2.9914 2.9914 2.9915 2.9915 4.2554 4.2554 4.2554 4.2554 4.2855 4.2855 4.2855 4.2855 k = 0.4118 0.3859-0.0000 ( 3484 PWs) bands (ev): -49.0151 -49.0151 -49.0151 -49.0151 -42.6247 -42.6247 -42.6247 -42.6247 -3.8464 -3.8464 -3.8462 -3.8462 -3.0662 -3.0662 -3.0662 -3.0662 2.6331 2.6331 2.6331 2.6331 3.0123 3.0123 3.0123 3.0123 4.2720 4.2720 4.2721 4.2721 4.2907 4.2907 4.2907 4.2907 k = 0.4020 0.3859-0.0000 ( 3480 PWs) bands (ev): -49.0150 -49.0150 -49.0150 -49.0150 -42.6249 -42.6249 -42.6248 -42.6248 -3.8536 -3.8536 -3.8534 -3.8534 -3.0631 -3.0631 -3.0630 -3.0630 2.5744 2.5744 2.5744 2.5744 3.0356 3.0356 3.0356 3.0356 4.2872 4.2872 4.2873 4.2873 4.2964 4.2964 4.2965 4.2965 k = 0.3922 0.3859-0.0000 ( 3484 PWs) bands (ev): -49.0149 -49.0149 -49.0149 -49.0149 -42.6250 -42.6250 -42.6250 -42.6250 -3.8614 -3.8614 -3.8612 -3.8612 -3.0597 -3.0597 -3.0597 -3.0597 2.5135 2.5135 2.5135 2.5135 3.0613 3.0613 3.0613 3.0613 4.3004 4.3004 4.3004 4.3004 4.3028 4.3028 4.3029 4.3029 k = 0.3824 0.3859-0.0000 ( 3482 PWs) bands (ev): -49.0148 -49.0148 -49.0148 -49.0148 -42.6252 -42.6252 -42.6252 -42.6252 -3.8697 -3.8697 -3.8695 -3.8695 -3.0562 -3.0562 -3.0562 -3.0562 2.4511 2.4511 2.4511 2.4511 3.0894 3.0894 3.0894 3.0894 4.3095 4.3095 4.3096 4.3096 4.3115 4.3115 4.3115 4.3115 k = 0.3725 0.3859-0.0000 ( 3490 PWs) bands (ev): -49.0147 -49.0147 -49.0147 -49.0147 -42.6254 -42.6254 -42.6254 -42.6254 -3.8785 -3.8785 -3.8783 -3.8783 -3.0526 -3.0526 -3.0525 -3.0525 2.3875 2.3875 2.3875 2.3875 3.1199 3.1199 3.1199 3.1199 4.3169 4.3169 4.3170 4.3170 4.3199 4.3199 4.3199 4.3199 k = 0.3627 0.3859-0.0000 ( 3486 PWs) bands (ev): -49.0146 -49.0146 -49.0146 -49.0146 -42.6256 -42.6256 -42.6256 -42.6256 -3.8877 -3.8877 -3.8875 -3.8875 -3.0488 -3.0488 -3.0488 -3.0488 2.3231 2.3231 2.3231 2.3231 3.1527 3.1527 3.1528 3.1528 4.3246 4.3246 4.3247 4.3247 4.3258 4.3258 4.3258 4.3258 k = 0.3529 0.3859-0.0000 ( 3490 PWs) bands (ev): -49.0145 -49.0145 -49.0145 -49.0145 -42.6258 -42.6258 -42.6258 -42.6258 -3.8973 -3.8973 -3.8971 -3.8971 -3.0449 -3.0449 -3.0449 -3.0449 2.2584 2.2584 2.2584 2.2584 3.1879 3.1879 3.1879 3.1879 4.3287 4.3287 4.3287 4.3287 4.3331 4.3331 4.3332 4.3332 k = 0.3431 0.3859-0.0000 ( 3498 PWs) bands (ev): -49.0143 -49.0143 -49.0143 -49.0143 -42.6260 -42.6260 -42.6260 -42.6260 -3.9073 -3.9073 -3.9071 -3.9071 -3.0410 -3.0410 -3.0410 -3.0410 2.1936 2.1936 2.1936 2.1936 3.2254 3.2254 3.2254 3.2254 4.3290 4.3290 4.3291 4.3291 4.3419 4.3419 4.3420 4.3420 k = 0.3333 0.3859-0.0000 ( 3494 PWs) bands (ev): -49.0142 -49.0142 -49.0142 -49.0142 -42.6262 -42.6262 -42.6262 -42.6262 -3.9176 -3.9176 -3.9174 -3.9174 -3.0370 -3.0370 -3.0370 -3.0370 2.1289 2.1289 2.1290 2.1290 3.2652 3.2652 3.2652 3.2652 4.3268 4.3268 4.3268 4.3268 4.3511 4.3511 4.3512 4.3512 k = 0.3235 0.3859-0.0000 ( 3498 PWs) bands (ev): -49.0140 -49.0140 -49.0140 -49.0140 -42.6265 -42.6265 -42.6265 -42.6265 -3.9281 -3.9281 -3.9279 -3.9279 -3.0330 -3.0330 -3.0330 -3.0330 2.0647 2.0647 2.0647 2.0647 3.3072 3.3072 3.3072 3.3072 4.3220 4.3220 4.3220 4.3220 4.3607 4.3607 4.3608 4.3608 k = 0.3137 0.3859-0.0000 ( 3498 PWs) bands (ev): -49.0139 -49.0139 -49.0139 -49.0139 -42.6267 -42.6267 -42.6267 -42.6267 -3.9388 -3.9388 -3.9386 -3.9386 -3.0291 -3.0291 -3.0290 -3.0290 2.0011 2.0011 2.0011 2.0011 3.3514 3.3514 3.3514 3.3514 4.3147 4.3147 4.3148 4.3148 4.3707 4.3707 4.3708 4.3708 k = 0.3039 0.3859-0.0000 ( 3490 PWs) bands (ev): -49.0137 -49.0137 -49.0137 -49.0137 -42.6270 -42.6270 -42.6270 -42.6270 -3.9496 -3.9496 -3.9494 -3.9494 -3.0251 -3.0251 -3.0251 -3.0251 1.9383 1.9383 1.9383 1.9383 3.3977 3.3977 3.3978 3.3978 4.3053 4.3053 4.3053 4.3053 4.3811 4.3811 4.3812 4.3812 k = 0.2941 0.3859-0.0000 ( 3486 PWs) bands (ev): -49.0135 -49.0135 -49.0135 -49.0135 -42.6272 -42.6272 -42.6272 -42.6272 -3.9606 -3.9606 -3.9604 -3.9604 -3.0212 -3.0212 -3.0212 -3.0212 1.8765 1.8765 1.8765 1.8765 3.4462 3.4462 3.4462 3.4462 4.2938 4.2938 4.2939 4.2939 4.3918 4.3918 4.3919 4.3919 k = 0.2843 0.3859-0.0000 ( 3486 PWs) bands (ev): -49.0134 -49.0134 -49.0134 -49.0134 -42.6275 -42.6275 -42.6275 -42.6275 -3.9716 -3.9716 -3.9714 -3.9714 -3.0174 -3.0174 -3.0174 -3.0174 1.8157 1.8157 1.8157 1.8157 3.4966 3.4966 3.4967 3.4967 4.2805 4.2805 4.2805 4.2805 4.4028 4.4028 4.4029 4.4029 k = 0.2745 0.3859-0.0000 ( 3484 PWs) bands (ev): -49.0132 -49.0132 -49.0132 -49.0132 -42.6278 -42.6278 -42.6277 -42.6277 -3.9827 -3.9827 -3.9825 -3.9825 -3.0136 -3.0136 -3.0136 -3.0136 1.7563 1.7563 1.7563 1.7563 3.5490 3.5490 3.5491 3.5491 4.2656 4.2656 4.2656 4.2656 4.4141 4.4141 4.4142 4.4142 k = 0.2647 0.3859-0.0000 ( 3480 PWs) bands (ev): -49.0130 -49.0130 -49.0130 -49.0130 -42.6280 -42.6280 -42.6280 -42.6280 -3.9937 -3.9937 -3.9935 -3.9935 -3.0100 -3.0100 -3.0099 -3.0099 1.6981 1.6981 1.6982 1.6982 3.6033 3.6033 3.6033 3.6033 4.2492 4.2492 4.2493 4.2493 4.4256 4.4256 4.4257 4.4257 k = 0.2549 0.3859-0.0000 ( 3488 PWs) bands (ev): -49.0129 -49.0129 -49.0129 -49.0129 -42.6283 -42.6283 -42.6283 -42.6283 -4.0047 -4.0047 -4.0045 -4.0045 -3.0064 -3.0064 -3.0064 -3.0064 1.6415 1.6415 1.6415 1.6415 3.6593 3.6593 3.6594 3.6594 4.2317 4.2317 4.2317 4.2317 4.4374 4.4374 4.4375 4.4375 k = 0.2451 0.3859-0.0000 ( 3496 PWs) bands (ev): -49.0127 -49.0127 -49.0127 -49.0127 -42.6286 -42.6286 -42.6286 -42.6286 -4.0156 -4.0156 -4.0154 -4.0154 -3.0030 -3.0030 -3.0030 -3.0030 1.5864 1.5864 1.5864 1.5864 3.7170 3.7170 3.7170 3.7170 4.2132 4.2132 4.2132 4.2132 4.4494 4.4494 4.4495 4.4495 k = 0.2353 0.3859-0.0000 ( 3492 PWs) bands (ev): -49.0125 -49.0125 -49.0125 -49.0125 -42.6288 -42.6288 -42.6288 -42.6288 -4.0264 -4.0264 -4.0262 -4.0262 -2.9996 -2.9996 -2.9996 -2.9996 1.5330 1.5330 1.5330 1.5330 3.7761 3.7761 3.7762 3.7762 4.1939 4.1939 4.1940 4.1940 4.4615 4.4615 4.4616 4.4616 k = 0.2255 0.3859-0.0000 ( 3492 PWs) bands (ev): -49.0124 -49.0124 -49.0124 -49.0124 -42.6291 -42.6291 -42.6291 -42.6291 -4.0370 -4.0370 -4.0368 -4.0368 -2.9964 -2.9964 -2.9964 -2.9964 1.4813 1.4813 1.4813 1.4813 3.8367 3.8367 3.8367 3.8367 4.1741 4.1741 4.1741 4.1741 4.4739 4.4739 4.4740 4.4740 k = 0.2157 0.3859-0.0000 ( 3496 PWs) bands (ev): -49.0122 -49.0122 -49.0122 -49.0122 -42.6294 -42.6294 -42.6294 -42.6294 -4.0473 -4.0473 -4.0472 -4.0472 -2.9934 -2.9934 -2.9934 -2.9934 1.4314 1.4314 1.4314 1.4314 3.8984 3.8984 3.8985 3.8985 4.1538 4.1538 4.1539 4.1539 4.4864 4.4864 4.4865 4.4865 k = 0.2059 0.3859-0.0000 ( 3500 PWs) bands (ev): -49.0120 -49.0120 -49.0120 -49.0120 -42.6296 -42.6296 -42.6296 -42.6296 -4.0575 -4.0575 -4.0573 -4.0573 -2.9905 -2.9905 -2.9905 -2.9905 1.3833 1.3833 1.3833 1.3833 3.9611 3.9611 3.9612 3.9612 4.1334 4.1334 4.1334 4.1334 4.4991 4.4991 4.4992 4.4992 k = 0.1961 0.3859-0.0000 ( 3504 PWs) bands (ev): -49.0119 -49.0119 -49.0119 -49.0119 -42.6299 -42.6299 -42.6299 -42.6299 -4.0674 -4.0674 -4.0672 -4.0672 -2.9877 -2.9877 -2.9877 -2.9877 1.3372 1.3372 1.3372 1.3372 4.0246 4.0246 4.0247 4.0247 4.1129 4.1129 4.1129 4.1129 4.5120 4.5120 4.5121 4.5121 k = 0.1863 0.3859-0.0000 ( 3504 PWs) bands (ev): -49.0117 -49.0117 -49.0117 -49.0117 -42.6301 -42.6301 -42.6301 -42.6301 -4.0770 -4.0770 -4.0768 -4.0768 -2.9851 -2.9851 -2.9851 -2.9851 1.2930 1.2930 1.2930 1.2930 4.0884 4.0884 4.0884 4.0884 4.0926 4.0926 4.0927 4.0927 4.5251 4.5251 4.5252 4.5252 k = 0.1765 0.3859-0.0000 ( 3504 PWs) bands (ev): -49.0116 -49.0116 -49.0116 -49.0116 -42.6304 -42.6304 -42.6304 -42.6304 -4.0863 -4.0863 -4.0861 -4.0861 -2.9826 -2.9826 -2.9826 -2.9826 1.2509 1.2509 1.2509 1.2509 4.0724 4.0724 4.0724 4.0724 4.1524 4.1524 4.1525 4.1525 4.5387 4.5387 4.5387 4.5387 k = 0.1667 0.3859-0.0000 ( 3504 PWs) bands (ev): -49.0114 -49.0114 -49.0114 -49.0114 -42.6306 -42.6306 -42.6306 -42.6306 -4.0952 -4.0952 -4.0950 -4.0950 -2.9803 -2.9803 -2.9803 -2.9803 1.2108 1.2108 1.2108 1.2108 4.0526 4.0526 4.0527 4.0527 4.2159 4.2159 4.2160 4.2160 4.5528 4.5528 4.5528 4.5528 k = 0.1569 0.3859-0.0000 ( 3510 PWs) bands (ev): -49.0113 -49.0113 -49.0113 -49.0113 -42.6309 -42.6309 -42.6308 -42.6308 -4.1038 -4.1038 -4.1036 -4.1036 -2.9781 -2.9781 -2.9781 -2.9781 1.1729 1.1729 1.1729 1.1729 4.0334 4.0334 4.0335 4.0335 4.2783 4.2783 4.2784 4.2784 4.5678 4.5678 4.5679 4.5679 k = 0.1471 0.3859-0.0000 ( 3502 PWs) bands (ev): -49.0111 -49.0111 -49.0111 -49.0111 -42.6311 -42.6311 -42.6311 -42.6311 -4.1119 -4.1119 -4.1118 -4.1118 -2.9760 -2.9760 -2.9760 -2.9760 1.1371 1.1371 1.1371 1.1371 4.0149 4.0149 4.0149 4.0149 4.3386 4.3386 4.3387 4.3387 4.5844 4.5844 4.5845 4.5845 k = 0.1373 0.3859-0.0000 ( 3506 PWs) bands (ev): -49.0110 -49.0110 -49.0110 -49.0110 -42.6313 -42.6313 -42.6313 -42.6313 -4.1197 -4.1197 -4.1195 -4.1195 -2.9742 -2.9742 -2.9741 -2.9741 1.1034 1.1034 1.1034 1.1034 3.9971 3.9971 3.9971 3.9971 4.3953 4.3953 4.3953 4.3953 4.6036 4.6036 4.6037 4.6037 k = 0.1275 0.3859-0.0000 ( 3498 PWs) bands (ev): -49.0109 -49.0109 -49.0109 -49.0109 -42.6315 -42.6315 -42.6315 -42.6315 -4.1270 -4.1270 -4.1268 -4.1268 -2.9724 -2.9724 -2.9724 -2.9724 1.0720 1.0720 1.0720 1.0720 3.9801 3.9801 3.9801 3.9801 4.4462 4.4462 4.4463 4.4463 4.6273 4.6273 4.6273 4.6273 k = 0.1176 0.3859-0.0000 ( 3498 PWs) bands (ev): -49.0108 -49.0108 -49.0108 -49.0108 -42.6317 -42.6317 -42.6317 -42.6317 -4.1338 -4.1338 -4.1336 -4.1336 -2.9708 -2.9708 -2.9708 -2.9708 1.0428 1.0428 1.0428 1.0428 3.9641 3.9641 3.9641 3.9641 4.4889 4.4889 4.4890 4.4890 4.6573 4.6573 4.6573 4.6573 k = 0.1078 0.3859-0.0000 ( 3506 PWs) bands (ev): -49.0106 -49.0106 -49.0106 -49.0106 -42.6318 -42.6318 -42.6318 -42.6318 -4.1402 -4.1402 -4.1400 -4.1400 -2.9693 -2.9693 -2.9693 -2.9693 1.0158 1.0158 1.0158 1.0158 3.9490 3.9490 3.9491 3.9491 4.5220 4.5220 4.5220 4.5220 4.6946 4.6946 4.6946 4.6946 k = 0.0980 0.3859-0.0000 ( 3502 PWs) bands (ev): -49.0105 -49.0105 -49.0105 -49.0105 -42.6320 -42.6320 -42.6320 -42.6320 -4.1460 -4.1460 -4.1458 -4.1458 -2.9680 -2.9680 -2.9680 -2.9680 0.9911 0.9911 0.9911 0.9911 3.9351 3.9351 3.9351 3.9351 4.5464 4.5464 4.5464 4.5464 4.7376 4.7376 4.7377 4.7377 k = 0.0882 0.3859-0.0000 ( 3502 PWs) bands (ev): -49.0104 -49.0104 -49.0104 -49.0104 -42.6322 -42.6322 -42.6321 -42.6321 -4.1514 -4.1514 -4.1512 -4.1512 -2.9668 -2.9668 -2.9668 -2.9668 0.9688 0.9688 0.9688 0.9688 3.9222 3.9222 3.9223 3.9223 4.5644 4.5644 4.5645 4.5645 4.7836 4.7836 4.7836 4.7836 k = 0.0784 0.3859-0.0000 ( 3494 PWs) bands (ev): -49.0104 -49.0104 -49.0104 -49.0104 -42.6323 -42.6323 -42.6323 -42.6323 -4.1562 -4.1562 -4.1560 -4.1560 -2.9657 -2.9657 -2.9657 -2.9657 0.9487 0.9487 0.9487 0.9487 3.9106 3.9106 3.9107 3.9107 4.5781 4.5781 4.5782 4.5782 4.8297 4.8297 4.8297 4.8297 k = 0.0686 0.3859-0.0000 ( 3494 PWs) bands (ev): -49.0103 -49.0103 -49.0103 -49.0103 -42.6324 -42.6324 -42.6324 -42.6324 -4.1605 -4.1605 -4.1603 -4.1603 -2.9648 -2.9648 -2.9648 -2.9648 0.9310 0.9310 0.9310 0.9310 3.9003 3.9003 3.9003 3.9003 4.5889 4.5889 4.5889 4.5889 4.8739 4.8739 4.8740 4.8740 k = 0.0588 0.3859-0.0000 ( 3486 PWs) bands (ev): -49.0102 -49.0102 -49.0102 -49.0102 -42.6325 -42.6325 -42.6325 -42.6325 -4.1642 -4.1642 -4.1640 -4.1640 -2.9640 -2.9640 -2.9640 -2.9640 0.9156 0.9156 0.9156 0.9156 3.8912 3.8912 3.8913 3.8913 4.5975 4.5975 4.5975 4.5975 4.9149 4.9149 4.9149 4.9149 k = 0.0490 0.3859-0.0000 ( 3492 PWs) bands (ev): -49.0102 -49.0102 -49.0102 -49.0102 -42.6326 -42.6326 -42.6326 -42.6326 -4.1674 -4.1674 -4.1672 -4.1672 -2.9634 -2.9634 -2.9634 -2.9634 0.9025 0.9025 0.9025 0.9025 3.8835 3.8835 3.8835 3.8835 4.6044 4.6044 4.6044 4.6044 4.9514 4.9514 4.9514 4.9514 k = 0.0392 0.3859-0.0000 ( 3492 PWs) bands (ev): -49.0101 -49.0101 -49.0101 -49.0101 -42.6327 -42.6327 -42.6327 -42.6327 -4.1700 -4.1700 -4.1698 -4.1698 -2.9628 -2.9628 -2.9628 -2.9628 0.8918 0.8918 0.8918 0.8918 3.8771 3.8771 3.8772 3.8772 4.6098 4.6098 4.6099 4.6099 4.9825 4.9825 4.9825 4.9825 k = 0.0294 0.3859-0.0000 ( 3496 PWs) bands (ev): -49.0101 -49.0101 -49.0101 -49.0101 -42.6327 -42.6327 -42.6327 -42.6327 -4.1720 -4.1720 -4.1718 -4.1718 -2.9624 -2.9624 -2.9624 -2.9624 0.8835 0.8835 0.8835 0.8835 3.8721 3.8721 3.8722 3.8722 4.6139 4.6139 4.6140 4.6140 5.0075 5.0075 5.0076 5.0076 k = 0.0196 0.3859-0.0000 ( 3488 PWs) bands (ev): -49.0101 -49.0101 -49.0101 -49.0101 -42.6328 -42.6328 -42.6328 -42.6328 -4.1735 -4.1735 -4.1733 -4.1733 -2.9621 -2.9621 -2.9621 -2.9621 0.8775 0.8775 0.8775 0.8775 3.8686 3.8686 3.8686 3.8686 4.6168 4.6168 4.6169 4.6169 5.0259 5.0259 5.0259 5.0259 k = 0.0098 0.3859-0.0000 ( 3494 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1743 -4.1743 -4.1742 -4.1742 -2.9619 -2.9619 -2.9619 -2.9619 0.8740 0.8740 0.8740 0.8740 3.8664 3.8664 3.8665 3.8665 4.6185 4.6185 4.6186 4.6186 5.0371 5.0371 5.0371 5.0371 k = 0.0000 0.3859-0.0000 ( 3498 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1746 -4.1746 -4.1745 -4.1745 -2.9619 -2.9619 -2.9619 -2.9619 0.8728 0.8728 0.8728 0.8728 3.8657 3.8657 3.8658 3.8658 4.6191 4.6191 4.6191 4.6191 5.0408 5.0408 5.0409 5.0409 k = 0.0000 0.3859-0.0000 ( 3498 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1746 -4.1746 -4.1745 -4.1745 -2.9619 -2.9619 -2.9619 -2.9619 0.8728 0.8728 0.8728 0.8728 3.8657 3.8657 3.8658 3.8658 4.6191 4.6191 4.6191 4.6191 5.0408 5.0408 5.0409 5.0409 k = 0.0000 0.3763-0.0000 ( 3494 PWs) bands (ev): -49.0120 -49.0120 -49.0080 -49.0080 -42.6352 -42.6352 -42.6305 -42.6305 -4.2169 -4.2169 -4.1314 -4.1314 -3.0140 -3.0140 -2.9080 -2.9080 0.7724 0.7724 0.9753 0.9753 3.7736 3.7736 3.9596 3.9596 4.5870 4.5870 4.6500 4.6500 4.9945 4.9945 5.0873 5.0873 k = 0.0000 0.3666-0.0000 ( 3490 PWs) bands (ev): -49.0140 -49.0140 -49.0060 -49.0060 -42.6375 -42.6375 -42.6281 -42.6281 -4.2586 -4.2586 -4.0876 -4.0876 -3.0644 -3.0644 -2.8524 -2.8524 0.6742 0.6742 1.0800 1.0800 3.6833 3.6833 4.0553 4.0553 4.5537 4.5537 4.6798 4.6798 4.9481 4.9481 5.1341 5.1341 k = 0.0000 0.3570-0.0000 ( 3492 PWs) bands (ev): -49.0160 -49.0160 -49.0040 -49.0040 -42.6399 -42.6399 -42.6258 -42.6258 -4.2994 -4.2994 -4.0431 -4.0431 -3.1131 -3.1131 -2.7949 -2.7949 0.5782 0.5782 1.1868 1.1868 3.5949 3.5949 4.1525 4.1525 4.5189 4.5189 4.7087 4.7087 4.9014 4.9014 5.1813 5.1813 k = 0.0000 0.3473-0.0000 ( 3499 PWs) bands (ev): -49.0180 -49.0180 -49.0020 -49.0020 -42.6422 -42.6422 -42.6234 -42.6234 -4.3394 -4.3394 -3.9980 -3.9980 -3.1602 -3.1602 -2.7357 -2.7357 0.4845 0.4845 1.2956 1.2956 3.5084 3.5084 4.2514 4.2514 4.4825 4.4825 4.7367 4.7367 4.8541 4.8541 5.2292 5.2292 k = 0.0000 0.3377-0.0000 ( 3499 PWs) bands (ev): -49.0200 -49.0200 -49.0001 -49.0001 -42.6445 -42.6445 -42.6211 -42.6211 -4.3785 -4.3785 -3.9523 -3.9523 -3.2057 -3.2057 -2.6746 -2.6746 0.3932 0.3932 1.4063 1.4063 3.4239 3.4239 4.3517 4.3517 4.4445 4.4445 4.7638 4.7638 4.8060 4.8060 5.2777 5.2777 k = 0.0000 0.3280-0.0000 ( 3491 PWs) bands (ev): -49.0220 -49.0220 -48.9981 -48.9981 -42.6468 -42.6468 -42.6188 -42.6188 -4.4168 -4.4168 -3.9061 -3.9061 -3.2495 -3.2495 -2.6117 -2.6117 0.3041 0.3041 1.5189 1.5189 3.3414 3.3414 4.4046 4.4046 4.4534 4.4534 4.7565 4.7565 4.7902 4.7902 5.3270 5.3270 k = 0.0000 0.3184-0.0000 ( 3497 PWs) bands (ev): -49.0239 -49.0239 -48.9961 -48.9961 -42.6491 -42.6491 -42.6165 -42.6165 -4.4541 -4.4541 -3.8594 -3.8594 -3.2918 -3.2918 -2.5469 -2.5469 0.2175 0.2175 1.6334 1.6334 3.2610 3.2610 4.3628 4.3628 4.5564 4.5564 4.7053 4.7053 4.8160 4.8160 5.3771 5.3771 k = 0.0000 0.3087-0.0000 ( 3493 PWs) bands (ev): -49.0258 -49.0258 -48.9942 -48.9942 -42.6513 -42.6513 -42.6143 -42.6143 -4.4905 -4.4905 -3.8122 -3.8122 -3.3325 -3.3325 -2.4802 -2.4802 0.1332 0.1332 1.7496 1.7496 3.1827 3.1827 4.3188 4.3188 4.6518 4.6518 4.6607 4.6607 4.8411 4.8411 5.4281 5.4281 k = 0.0000 0.2991-0.0000 ( 3495 PWs) bands (ev): -49.0277 -49.0277 -48.9923 -48.9923 -42.6536 -42.6536 -42.6121 -42.6121 -4.5260 -4.5260 -3.7647 -3.7647 -3.3716 -3.3716 -2.4116 -2.4116 0.0513 0.0513 1.8675 1.8675 3.1066 3.1066 4.2725 4.2725 4.5956 4.5956 4.7659 4.7659 4.8656 4.8656 5.4801 5.4801 k = 0.0000 0.2894-0.0000 ( 3495 PWs) bands (ev): -49.0296 -49.0296 -48.9905 -48.9905 -42.6558 -42.6558 -42.6099 -42.6099 -4.5605 -4.5605 -3.7168 -3.7168 -3.4093 -3.4093 -2.3411 -2.3411 -0.0281 -0.0281 1.9870 1.9870 3.0326 3.0326 4.2237 4.2237 4.5359 4.5359 4.8721 4.8721 4.8895 4.8895 5.5330 5.5330 k = 0.0000 0.2798-0.0000 ( 3509 PWs) bands (ev): -49.0314 -49.0314 -48.9886 -48.9886 -42.6579 -42.6579 -42.6077 -42.6077 -4.5941 -4.5941 -3.6687 -3.6687 -3.4455 -3.4455 -2.2686 -2.2686 -0.1051 -0.1051 2.1080 2.1080 2.9608 2.9608 4.1724 4.1724 4.4719 4.4719 4.9129 4.9129 4.9792 4.9792 5.5869 5.5869 k = 0.0000 0.2701-0.0000 ( 3513 PWs) bands (ev): -49.0332 -49.0332 -48.9868 -48.9868 -42.6600 -42.6600 -42.6056 -42.6056 -4.6266 -4.6266 -3.6204 -3.6204 -3.4803 -3.4803 -2.1941 -2.1941 -0.1796 -0.1796 2.2304 2.2304 2.8913 2.8913 4.1184 4.1184 4.4031 4.4031 4.9358 4.9358 5.0869 5.0869 5.6417 5.6417 k = 0.0000 0.2605-0.0000 ( 3509 PWs) bands (ev): -49.0350 -49.0350 -48.9850 -48.9850 -42.6621 -42.6621 -42.6035 -42.6035 -4.6581 -4.6581 -3.5720 -3.5720 -3.5136 -3.5136 -2.1176 -2.1176 -0.2516 -0.2516 2.3540 2.3540 2.8240 2.8240 4.0616 4.0616 4.3286 4.3286 4.9581 4.9581 5.1952 5.1952 5.6975 5.6975 k = 0.0000 0.2508-0.0000 ( 3509 PWs) bands (ev): -49.0367 -49.0367 -48.9833 -48.9833 -42.6642 -42.6642 -42.6015 -42.6015 -4.6886 -4.6886 -3.5454 -3.5454 -3.5235 -3.5235 -2.0391 -2.0391 -0.3212 -0.3212 2.4787 2.4787 2.7589 2.7589 4.0018 4.0018 4.2480 4.2480 4.9800 4.9800 5.3037 5.3037 5.7542 5.7542 k = 0.0000 0.2412-0.0000 ( 3509 PWs) bands (ev): -49.0384 -49.0384 -48.9816 -48.9816 -42.6661 -42.6661 -42.5995 -42.5995 -4.7180 -4.7180 -3.5759 -3.5759 -3.4751 -3.4751 -1.9586 -1.9586 -0.3881 -0.3881 2.6044 2.6044 2.6962 2.6962 3.9385 3.9385 4.1611 4.1611 5.0013 5.0013 5.4124 5.4124 5.6496 5.6496 k = 0.0000 0.2316-0.0000 ( 3507 PWs) bands (ev): -49.0401 -49.0401 -48.9800 -48.9800 -42.6681 -42.6681 -42.5976 -42.5976 -4.7464 -4.7464 -3.6051 -3.6051 -3.4269 -3.4269 -1.8760 -1.8760 -0.4526 -0.4526 2.6358 2.6358 2.7309 2.7309 3.8713 3.8713 4.0685 4.0685 5.0221 5.0221 5.5210 5.5210 5.5453 5.5453 k = 0.0000 0.2219-0.0000 ( 3499 PWs) bands (ev): -49.0417 -49.0417 -48.9784 -48.9784 -42.6700 -42.6700 -42.5957 -42.5957 -4.7736 -4.7736 -3.6328 -3.6328 -3.3789 -3.3789 -1.7914 -1.7914 -0.5145 -0.5145 2.5777 2.5777 2.8581 2.8581 3.7987 3.7987 3.9716 3.9716 5.0423 5.0423 5.4511 5.4511 5.6292 5.6292 k = 0.0000 0.2123-0.0000 ( 3501 PWs) bands (ev): -49.0432 -49.0432 -48.9768 -48.9768 -42.6718 -42.6718 -42.5939 -42.5939 -4.7998 -4.7998 -3.6593 -3.6593 -3.3312 -3.3312 -1.7047 -1.7047 -0.5739 -0.5739 2.5220 2.5220 2.9856 2.9856 3.7182 3.7182 3.8736 3.8736 5.0619 5.0619 5.3669 5.3669 5.7369 5.7369 k = 0.0000 0.2026-0.0000 ( 3513 PWs) bands (ev): -49.0447 -49.0447 -48.9753 -48.9753 -42.6736 -42.6736 -42.5921 -42.5921 -4.8250 -4.8250 -3.6844 -3.6844 -3.2840 -3.2840 -1.6160 -1.6160 -0.6307 -0.6307 2.4687 2.4687 3.1134 3.1134 3.6260 3.6260 3.7791 3.7791 5.0810 5.0810 5.2922 5.2922 5.8437 5.8437 k = 0.0000 0.1930-0.0000 ( 3513 PWs) bands (ev): -49.0462 -49.0462 -48.9739 -48.9739 -42.6753 -42.6753 -42.5904 -42.5904 -4.8489 -4.8489 -3.7083 -3.7083 -3.2374 -3.2374 -1.5252 -1.5252 -0.6849 -0.6849 2.4177 2.4177 3.2411 3.2411 3.5196 3.5196 3.6919 3.6919 5.0994 5.0994 5.2263 5.2263 5.9493 5.9493 k = 0.0000 0.1833-0.0000 ( 3513 PWs) bands (ev): -49.0476 -49.0476 -48.9725 -48.9725 -42.6769 -42.6769 -42.5888 -42.5888 -4.8718 -4.8718 -3.7308 -3.7308 -3.1916 -3.1916 -1.4323 -1.4323 -0.7365 -0.7365 2.3692 2.3692 3.3684 3.3684 3.4004 3.4004 3.6119 3.6119 5.1172 5.1172 5.1683 5.1683 6.0534 6.0534 k = 0.0000 0.1737-0.0000 ( 3507 PWs) bands (ev): -49.0489 -49.0489 -48.9711 -48.9711 -42.6785 -42.6785 -42.5873 -42.5873 -4.8936 -4.8936 -3.7522 -3.7522 -3.1465 -3.1465 -1.3373 -1.3373 -0.7855 -0.7855 2.3231 2.3231 3.2719 3.2719 3.4951 3.4951 3.5368 3.5368 5.1173 5.1173 5.1343 5.1343 6.1556 6.1556 k = 0.0000 0.1640-0.0000 ( 3499 PWs) bands (ev): -49.0502 -49.0502 -48.9698 -48.9698 -42.6799 -42.6799 -42.5858 -42.5858 -4.9142 -4.9142 -3.7722 -3.7722 -3.1025 -3.1025 -1.2402 -1.2402 -0.8319 -0.8319 2.2794 2.2794 3.1371 3.1371 3.4651 3.4651 3.6207 3.6207 5.0724 5.0724 5.1507 5.1507 6.2478 6.2524 k = 0.0000 0.1544-0.0000 ( 3493 PWs) bands (ev): -49.0514 -49.0514 -48.9686 -48.9686 -42.6814 -42.6814 -42.5843 -42.5843 -4.9337 -4.9337 -3.7911 -3.7911 -3.0596 -3.0596 -1.1411 -1.1411 -0.8757 -0.8757 2.2381 2.2381 2.9979 2.9979 3.3960 3.3960 3.7450 3.7450 5.0330 5.0330 5.1664 5.1664 6.2155 6.2155 k = 0.0000 0.1447-0.0000 ( 3495 PWs) bands (ev): -49.0525 -49.0525 -48.9675 -48.9675 -42.6827 -42.6827 -42.5830 -42.5830 -4.9520 -4.9520 -3.8087 -3.8087 -3.0181 -3.0181 -1.0398 -1.0398 -0.9168 -0.9168 2.1993 2.1993 2.8558 2.8558 3.3292 3.3292 3.8673 3.8673 4.9983 4.9983 5.1813 5.1813 6.1865 6.1865 k = 0.0000 0.1351-0.0000 ( 3493 PWs) bands (ev): -49.0536 -49.0536 -48.9664 -48.9664 -42.6840 -42.6840 -42.5817 -42.5817 -4.9691 -4.9691 -3.8252 -3.8252 -2.9780 -2.9780 -0.9554 -0.9554 -0.9364 -0.9364 2.1630 2.1630 2.7117 2.7117 3.2649 3.2649 3.9873 3.9873 4.9677 4.9677 5.1954 5.1954 6.1605 6.1605 k = 0.0000 0.1254-0.0000 ( 3497 PWs) bands (ev): -49.0546 -49.0546 -48.9654 -48.9654 -42.6852 -42.6852 -42.5805 -42.5805 -4.9852 -4.9852 -3.8404 -3.8404 -2.9396 -2.9396 -0.9913 -0.9913 -0.8310 -0.8310 2.1291 2.1291 2.5665 2.5665 3.2031 3.2031 4.1043 4.1043 4.9408 4.9408 5.2086 5.2086 6.1374 6.1374 k = 0.0000 0.1158-0.0000 ( 3497 PWs) bands (ev): -49.0556 -49.0556 -48.9644 -48.9644 -42.6863 -42.6863 -42.5794 -42.5794 -5.0000 -5.0000 -3.8545 -3.8545 -2.9031 -2.9031 -1.0246 -1.0246 -0.7234 -0.7234 2.0977 2.0977 2.4206 2.4206 3.1443 3.1443 4.2178 4.2178 4.9171 4.9171 5.2210 5.2210 6.1168 6.1168 k = 0.0000 0.1061-0.0000 ( 3499 PWs) bands (ev): -49.0564 -49.0564 -48.9636 -48.9636 -42.6873 -42.6873 -42.5784 -42.5784 -5.0137 -5.0137 -3.8674 -3.8674 -2.8685 -2.8685 -1.0552 -1.0552 -0.6138 -0.6138 2.0688 2.0688 2.2745 2.2745 3.0886 3.0886 4.3270 4.3270 4.8962 4.8962 5.2325 5.2325 6.0986 6.0986 k = 0.0000 0.0965-0.0000 ( 3503 PWs) bands (ev): -49.0573 -49.0573 -48.9627 -48.9627 -42.6883 -42.6883 -42.5775 -42.5775 -5.0262 -5.0262 -3.8791 -3.8791 -2.8362 -2.8362 -1.0832 -1.0832 -0.5021 -0.5021 2.0424 2.0424 2.1287 2.1287 3.0364 3.0364 4.4313 4.4313 4.8779 4.8779 5.2431 5.2431 6.0825 6.0825 k = 0.0000 0.0868-0.0000 ( 3507 PWs) bands (ev): -49.0580 -49.0580 -48.9620 -48.9620 -42.6891 -42.6891 -42.5766 -42.5766 -5.0375 -5.0375 -3.8897 -3.8897 -2.8063 -2.8063 -1.1085 -1.1085 -0.3883 -0.3883 1.9833 1.9833 2.0185 2.0185 2.9881 2.9881 4.5298 4.5298 4.8619 4.8619 5.2527 5.2527 6.0686 6.0686 k = 0.0000 0.0772-0.0000 ( 3511 PWs) bands (ev): -49.0586 -49.0586 -48.9614 -48.9614 -42.6899 -42.6899 -42.5758 -42.5758 -5.0476 -5.0476 -3.8992 -3.8992 -2.7789 -2.7789 -1.1311 -1.1311 -0.2725 -0.2725 1.8387 1.8387 1.9970 1.9970 2.9439 2.9439 4.6215 4.6215 4.8481 4.8481 5.2614 5.2614 6.0564 6.0564 k = 0.0000 0.0675-0.0000 ( 3517 PWs) bands (ev): -49.0592 -49.0592 -48.9608 -48.9608 -42.6906 -42.6906 -42.5752 -42.5752 -5.0566 -5.0566 -3.9076 -3.9076 -2.7543 -2.7543 -1.1512 -1.1512 -0.1547 -0.1547 1.6952 1.6952 1.9781 1.9781 2.9042 2.9042 4.7057 4.7057 4.8362 4.8362 5.2691 5.2691 6.0461 6.0461 k = 0.0000 0.0579-0.0000 ( 3517 PWs) bands (ev): -49.0597 -49.0597 -48.9603 -48.9603 -42.6912 -42.6912 -42.5746 -42.5746 -5.0643 -5.0643 -3.9148 -3.9148 -2.7326 -2.7326 -1.1685 -1.1685 -0.0348 -0.0348 1.5527 1.5527 1.9617 1.9617 2.8692 2.8692 4.7812 4.7812 4.8262 4.8262 5.2758 5.2758 6.0373 6.0373 k = 0.0000 0.0482-0.0000 ( 3537 PWs) bands (ev): -49.0602 -49.0602 -48.9598 -48.9598 -42.6917 -42.6917 -42.5741 -42.5741 -5.0709 -5.0709 -3.9209 -3.9209 -2.7140 -2.7140 -1.1832 -1.1832 0.0869 0.0869 1.4116 1.4116 1.9479 1.9479 2.8391 2.8391 4.8178 4.8178 4.8473 4.8473 5.2816 5.2816 6.0300 6.0300 k = 0.0000 0.0386-0.0000 ( 3537 PWs) bands (ev): -49.0605 -49.0605 -48.9595 -48.9595 -42.6921 -42.6921 -42.5737 -42.5737 -5.0763 -5.0763 -3.9258 -3.9258 -2.6985 -2.6985 -1.1952 -1.1952 0.2106 0.2106 1.2720 1.2720 1.9365 1.9365 2.8142 2.8142 4.8111 4.8111 4.9028 4.9028 5.2862 5.2862 6.0242 6.0242 k = 0.0000 0.0289-0.0000 ( 3535 PWs) bands (ev): -49.0608 -49.0608 -48.9592 -48.9592 -42.6924 -42.6924 -42.5733 -42.5733 -5.0805 -5.0805 -3.9297 -3.9297 -2.6864 -2.6864 -1.2045 -1.2045 0.3361 0.3361 1.1341 1.1341 1.9277 1.9277 2.7946 2.7946 4.8060 4.8060 4.9471 4.9471 5.2899 5.2899 6.0198 6.0198 k = 0.0000 0.0193-0.0000 ( 3535 PWs) bands (ev): -49.0610 -49.0610 -48.9590 -48.9590 -42.6927 -42.6927 -42.5731 -42.5731 -5.0835 -5.0835 -3.9325 -3.9325 -2.6776 -2.6776 -1.2112 -1.2112 0.4630 0.4630 0.9982 0.9982 1.9213 1.9213 2.7805 2.7805 4.8023 4.8023 4.9793 4.9793 5.2925 5.2925 6.0166 6.0166 k = 0.0000 0.0096-0.0000 ( 3535 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6928 -42.6928 -42.5730 -42.5730 -5.0853 -5.0853 -3.9341 -3.9341 -2.6724 -2.6724 -1.2152 -1.2152 0.5900 0.5900 0.8658 0.8658 1.9176 1.9176 2.7720 2.7720 4.8002 4.8002 4.9988 4.9988 5.2941 5.2941 6.0148 6.0148 k = 0.0000 0.0000 0.0000 ( 3541 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0859 -5.0859 -3.9347 -3.9347 -2.6706 -2.6706 -1.2166 -1.2166 0.6888 0.6888 0.7653 0.7653 1.9163 1.9163 2.7692 2.7692 4.7994 4.7994 5.0054 5.0054 5.2946 5.2946 6.0141 6.0141 k = 0.0000 0.0000 0.0000 ( 3541 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0859 -5.0859 -3.9347 -3.9347 -2.6706 -2.6706 -1.2166 -1.2166 0.6888 0.6888 0.7653 0.7653 1.9163 1.9163 2.7692 2.7692 4.7994 4.7994 5.0054 5.0054 5.2946 5.2946 6.0141 6.0141 k = 0.0000 0.0000 0.0097 ( 3531 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0853 -5.0853 -3.9364 -3.9364 -2.6706 -2.6706 -1.2132 -1.2132 0.6887 0.6887 0.7653 0.7653 1.9121 1.9121 2.7691 2.7691 4.7994 4.7994 5.0059 5.0059 5.2948 5.2948 6.0139 6.0139 k = 0.0000 0.0000 0.0194 ( 3535 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0835 -5.0835 -3.9416 -3.9416 -2.6705 -2.6705 -1.2031 -1.2031 0.6883 0.6883 0.7653 0.7653 1.8996 1.8996 2.7688 2.7688 4.7992 4.7992 5.0074 5.0074 5.2955 5.2955 6.0131 6.0131 k = 0.0000 0.0000 0.0291 ( 3539 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0805 -5.0805 -3.9500 -3.9500 -2.6704 -2.6704 -1.1865 -1.1865 0.6877 0.6877 0.7653 0.7653 1.8790 1.8790 2.7683 2.7683 4.7989 4.7989 5.0100 5.0100 5.2966 5.2966 6.0118 6.0118 k = 0.0000 0.0000 0.0388 ( 3529 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0763 -5.0763 -3.9616 -3.9616 -2.6702 -2.6702 -1.1634 -1.1634 0.6869 0.6869 0.7653 0.7653 1.8506 1.8506 2.7676 2.7676 4.7986 4.7986 5.0135 5.0135 5.2981 5.2981 6.0100 6.0100 k = 0.0000 0.0000 0.0484 ( 3531 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0710 -5.0710 -3.9761 -3.9761 -2.6700 -2.6700 -1.1342 -1.1342 0.6859 0.6859 0.7652 0.7652 1.8147 1.8147 2.7667 2.7667 4.7981 4.7981 5.0180 5.0180 5.2999 5.2999 6.0077 6.0077 k = 0.0000 0.0000 0.0581 ( 3523 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0645 -5.0645 -3.9933 -3.9933 -2.6698 -2.6698 -1.0993 -1.0993 0.6847 0.6847 0.7652 0.7652 1.7718 1.7718 2.7656 2.7656 4.7976 4.7976 5.0232 5.0232 5.3020 5.3020 6.0050 6.0050 k = 0.0000 0.0000 0.0678 ( 3517 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0570 -5.0570 -4.0128 -4.0128 -2.6695 -2.6695 -1.0588 -1.0588 0.6834 0.6834 0.7652 0.7652 1.7224 1.7224 2.7644 2.7644 4.7970 4.7970 5.0292 5.0292 5.3043 5.3043 6.0018 6.0018 k = 0.0000 0.0000 0.0775 ( 3515 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0485 -5.0485 -4.0342 -4.0342 -2.6693 -2.6693 -1.0133 -1.0133 0.6819 0.6819 0.7652 0.7652 1.6671 1.6671 2.7631 2.7631 4.7963 4.7963 5.0358 5.0358 5.3067 5.3067 5.9983 5.9983 k = 0.0000 0.0000 0.0872 ( 3505 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0391 -5.0391 -4.0573 -4.0573 -2.6689 -2.6689 -0.9631 -0.9631 0.6803 0.6803 0.7652 0.7652 1.6067 1.6067 2.7618 2.7618 4.7956 4.7956 5.0430 5.0430 5.3092 5.3092 5.9946 5.9946 k = 0.0000 0.0000 0.0969 ( 3500 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0288 -5.0288 -4.0815 -4.0815 -2.6686 -2.6686 -0.9089 -0.9089 0.6786 0.6786 0.7651 0.7651 1.5417 1.5417 2.7603 2.7603 4.7949 4.7949 5.0505 5.0505 5.3117 5.3117 5.9905 5.9905 k = 0.0000 0.0000 0.1066 ( 3498 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0178 -5.0178 -4.1066 -4.1066 -2.6683 -2.6683 -0.8509 -0.8509 0.6769 0.6769 0.7651 0.7651 1.4728 1.4728 2.7588 2.7588 4.7942 4.7942 5.0583 5.0583 5.3142 5.3142 5.9862 5.9862 k = 0.0000 0.0000 0.1163 ( 3494 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -5.0062 -5.0062 -4.1322 -4.1322 -2.6679 -2.6679 -0.7899 -0.7899 0.6751 0.6751 0.7651 0.7651 1.4009 1.4009 2.7573 2.7573 4.7935 4.7935 5.0663 5.0663 5.3166 5.3166 5.9819 5.9819 k = 0.0000 0.0000 0.1259 ( 3498 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9942 -4.9942 -4.1578 -4.1578 -2.6676 -2.6676 -0.7264 -0.7264 0.6734 0.6734 0.7651 0.7651 1.3267 1.3267 2.7558 2.7558 4.7928 4.7928 5.0742 5.0742 5.3189 5.3189 5.9775 5.9775 k = 0.0000 0.0000 0.1356 ( 3492 PWs) bands (ev): -49.0611 -49.0611 -48.9588 -48.9588 -42.6929 -42.6929 -42.5729 -42.5729 -4.9819 -4.9819 -4.1830 -4.1830 -2.6673 -2.6673 -0.6611 -0.6611 0.6718 0.6718 0.7651 0.7651 1.2512 1.2512 2.7544 2.7544 4.7922 4.7922 5.0820 5.0820 5.3210 5.3210 5.9732 5.9732 k = 0.0000 0.0000 0.1453 ( 3500 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9696 -4.9696 -4.2074 -4.2074 -2.6670 -2.6670 -0.5948 -0.5948 0.6702 0.6702 0.7650 0.7650 1.1752 1.1752 2.7530 2.7530 4.7916 4.7916 5.0894 5.0894 5.3230 5.3230 5.9689 5.9689 k = 0.0000 0.0000 0.1550 ( 3502 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9574 -4.9574 -4.2306 -4.2306 -2.6667 -2.6667 -0.5285 -0.5285 0.6687 0.6687 0.7650 0.7650 1.1000 1.1000 2.7518 2.7518 4.7910 4.7910 5.0964 5.0964 5.3247 5.3247 5.9649 5.9649 k = 0.0000 0.0000 0.1647 ( 3512 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9459 -4.9459 -4.2521 -4.2521 -2.6664 -2.6664 -0.4634 -0.4634 0.6673 0.6673 0.7650 0.7650 1.0269 1.0269 2.7506 2.7506 4.7905 4.7905 5.1028 5.1028 5.3263 5.3263 5.9612 5.9612 k = 0.0000 0.0000 0.1744 ( 3512 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9351 -4.9351 -4.2714 -4.2714 -2.6662 -2.6662 -0.4011 -0.4011 0.6661 0.6661 0.7650 0.7650 0.9576 0.9576 2.7496 2.7496 4.7901 4.7901 5.1085 5.1085 5.3276 5.3276 5.9580 5.9580 k = 0.0000 0.0000 0.1841 ( 3510 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9256 -4.9256 -4.2881 -4.2881 -2.6660 -2.6660 -0.3436 -0.3436 0.6651 0.6651 0.7650 0.7650 0.8942 0.8942 2.7488 2.7488 4.7897 4.7897 5.1133 5.1133 5.3287 5.3287 5.9551 5.9551 k = 0.0000 0.0000 0.1938 ( 3510 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9177 -4.9177 -4.3017 -4.3017 -2.6658 -2.6658 -0.2936 -0.2936 0.6643 0.6643 0.7649 0.7649 0.8395 0.8395 2.7481 2.7481 4.7894 4.7894 5.1172 5.1172 5.3296 5.3296 5.9529 5.9529 k = 0.0000 0.0000 0.2034 ( 3514 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9118 -4.9118 -4.3118 -4.3118 -2.6657 -2.6657 -0.2541 -0.2541 0.6638 0.6638 0.7649 0.7649 0.7966 0.7966 2.7476 2.7476 4.7892 4.7892 5.1200 5.1200 5.3302 5.3302 5.9512 5.9512 k = 0.0000 0.0000 0.2131 ( 3528 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9081 -4.9081 -4.3180 -4.3180 -2.6656 -2.6656 -0.2286 -0.2286 0.6634 0.6634 0.7649 0.7649 0.7691 0.7691 2.7473 2.7473 4.7891 4.7891 5.1217 5.1217 5.3306 5.3306 5.9502 5.9502 k = 0.0000 0.0000 0.2228 ( 3534 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9068 -4.9068 -4.3201 -4.3201 -2.6656 -2.6656 -0.2197 -0.2197 0.6633 0.6633 0.7595 0.7595 0.7649 0.7649 2.7472 2.7472 4.7891 4.7891 5.1223 5.1223 5.3307 5.3307 5.9498 5.9498 k = 0.0000 0.0000 0.2228 ( 3534 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9068 -4.9068 -4.3201 -4.3201 -2.6656 -2.6656 -0.2197 -0.2197 0.6633 0.6633 0.7595 0.7595 0.7649 0.7649 2.7472 2.7472 4.7891 4.7891 5.1223 5.1223 5.3307 5.3307 5.9498 5.9498 k = 0.0098-0.0000 0.2228 ( 3522 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9066 -4.9066 -4.3199 -4.3199 -2.6647 -2.6647 -0.2189 -0.2189 0.6642 0.6642 0.7602 0.7602 0.7635 0.7635 2.7435 2.7435 4.7859 4.7859 5.1226 5.1226 5.3363 5.3363 5.9502 5.9502 k = 0.0196-0.0000 0.2228 ( 3522 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5728 -42.5728 -4.9061 -4.9061 -4.3194 -4.3194 -2.6619 -2.6619 -0.2163 -0.2163 0.6670 0.6670 0.7593 0.7593 0.7624 0.7624 2.7325 2.7325 4.7766 4.7766 5.1236 5.1236 5.3530 5.3530 5.9515 5.9515 k = 0.0294-0.0000 0.2228 ( 3526 PWs) bands (ev): -49.0611 -49.0611 -48.9590 -48.9590 -42.6929 -42.6929 -42.5727 -42.5727 -4.9051 -4.9051 -4.3184 -4.3184 -2.6573 -2.6573 -0.2120 -0.2120 0.6716 0.6716 0.7523 0.7523 0.7659 0.7659 2.7145 2.7145 4.7612 4.7612 5.1255 5.1255 5.3805 5.3805 5.9536 5.9536 k = 0.0392-0.0000 0.2228 ( 3514 PWs) bands (ev): -49.0611 -49.0611 -48.9591 -48.9591 -42.6930 -42.6930 -42.5725 -42.5725 -4.9038 -4.9038 -4.3171 -4.3171 -2.6509 -2.6509 -0.2061 -0.2061 0.6781 0.6781 0.7425 0.7425 0.7708 0.7708 2.6900 2.6900 4.7400 4.7400 5.1283 5.1283 5.4180 5.4180 5.9568 5.9568 k = 0.0490-0.0000 0.2228 ( 3518 PWs) bands (ev): -49.0611 -49.0611 -48.9592 -48.9592 -42.6931 -42.6931 -42.5722 -42.5722 -4.9022 -4.9022 -4.3155 -4.3155 -2.6427 -2.6427 -0.1984 -0.1984 0.6864 0.6864 0.7300 0.7300 0.7770 0.7770 2.6598 2.6598 4.7133 4.7133 5.1321 5.1321 5.4647 5.4647 5.9612 5.9612 k = 0.0588-0.0000 0.2228 ( 3518 PWs) bands (ev): -49.0610 -49.0610 -48.9594 -48.9594 -42.6932 -42.6932 -42.5720 -42.5720 -4.9002 -4.9002 -4.3135 -4.3135 -2.6327 -2.6327 -0.1891 -0.1891 0.6966 0.6966 0.7148 0.7148 0.7845 0.7845 2.6245 2.6245 4.6816 4.6816 5.1372 5.1372 5.5194 5.5194 5.9673 5.9673 k = 0.0686-0.0000 0.2228 ( 3512 PWs) bands (ev): -49.0610 -49.0610 -48.9595 -48.9595 -42.6933 -42.6933 -42.5716 -42.5716 -4.8978 -4.8978 -4.3111 -4.3111 -2.6209 -2.6209 -0.1781 -0.1781 0.6969 0.6969 0.7086 0.7086 0.7932 0.7932 2.5849 2.5849 4.6455 4.6455 5.1436 5.1436 5.5807 5.5807 5.9758 5.9758 k = 0.0784-0.0000 0.2228 ( 3510 PWs) bands (ev): -49.0609 -49.0609 -48.9597 -48.9597 -42.6935 -42.6935 -42.5712 -42.5712 -4.8951 -4.8951 -4.3084 -4.3084 -2.6073 -2.6073 -0.1656 -0.1656 0.6765 0.6765 0.7224 0.7224 0.8031 0.8031 2.5420 2.5420 4.6056 4.6056 5.1513 5.1513 5.6465 5.6465 5.9880 5.9880 k = 0.0882-0.0000 0.2228 ( 3502 PWs) bands (ev): -49.0609 -49.0609 -48.9600 -48.9600 -42.6936 -42.6936 -42.5708 -42.5708 -4.8920 -4.8920 -4.3054 -4.3054 -2.5920 -2.5920 -0.1515 -0.1515 0.6537 0.6537 0.7381 0.7381 0.8141 0.8141 2.4963 2.4963 4.5626 4.5626 5.1602 5.1602 5.7135 5.7135 6.0064 6.0064 k = 0.0980-0.0000 0.2228 ( 3498 PWs) bands (ev): -49.0608 -49.0608 -48.9602 -48.9602 -42.6938 -42.6938 -42.5703 -42.5703 -4.8887 -4.8887 -4.3020 -4.3020 -2.5750 -2.5750 -0.1359 -0.1359 0.6285 0.6285 0.7556 0.7556 0.8260 0.8260 2.4488 2.4488 4.5171 4.5171 5.1704 5.1704 5.7766 5.7766 6.0354 6.0354 k = 0.1078-0.0000 0.2228 ( 3498 PWs) bands (ev): -49.0607 -49.0607 -48.9605 -48.9605 -42.6940 -42.6940 -42.5698 -42.5698 -4.8850 -4.8850 -4.2983 -4.2983 -2.5563 -2.5563 -0.1188 -0.1188 0.6010 0.6010 0.7750 0.7750 0.8387 0.8387 2.4001 2.4001 4.4699 4.4699 5.1817 5.1817 5.8293 5.8293 6.0808 6.0808 k = 0.1176-0.0000 0.2228 ( 3502 PWs) bands (ev): -49.0606 -49.0606 -48.9608 -48.9608 -42.6942 -42.6942 -42.5692 -42.5692 -4.8810 -4.8810 -4.2942 -4.2942 -2.5359 -2.5359 -0.1005 -0.1005 0.5716 0.5716 0.7961 0.7961 0.8520 0.8520 2.3508 2.3508 4.4214 4.4214 5.1941 5.1941 5.8676 5.8676 6.1462 6.1462 k = 0.1275-0.0000 0.2228 ( 3504 PWs) bands (ev): -49.0606 -49.0606 -48.9611 -48.9611 -42.6944 -42.6944 -42.5686 -42.5686 -4.8767 -4.8767 -4.2899 -4.2899 -2.5140 -2.5140 -0.0809 -0.0809 0.5404 0.5404 0.8191 0.8191 0.8658 0.8658 2.3017 2.3017 4.3722 4.3722 5.2076 5.2076 5.8933 5.8933 6.2290 6.2290 k = 0.1373-0.0000 0.2228 ( 3504 PWs) bands (ev): -49.0605 -49.0605 -48.9615 -48.9615 -42.6947 -42.6947 -42.5680 -42.5680 -4.8722 -4.8722 -4.2852 -4.2852 -2.4905 -2.4905 -0.0604 -0.0604 0.5076 0.5076 0.8440 0.8440 0.8798 0.8798 2.2534 2.2534 4.3229 4.3229 5.2220 5.2220 5.9110 5.9110 6.3243 6.3243 k = 0.1471-0.0000 0.2228 ( 3504 PWs) bands (ev): -49.0604 -49.0604 -48.9619 -48.9619 -42.6949 -42.6949 -42.5673 -42.5673 -4.8674 -4.8674 -4.2803 -4.2803 -2.4654 -2.4654 -0.0393 -0.0393 0.4738 0.4738 0.8706 0.8706 0.8937 0.8937 2.2064 2.2064 4.2738 4.2738 5.2372 5.2372 5.9241 5.9241 6.4282 6.4282 k = 0.1569-0.0000 0.2228 ( 3502 PWs) bands (ev): -49.0603 -49.0603 -48.9622 -48.9622 -42.6951 -42.6951 -42.5667 -42.5667 -4.8623 -4.8623 -4.2750 -4.2750 -2.4389 -2.4389 -0.0180 -0.0180 0.4395 0.4395 0.8990 0.8990 0.9073 0.9073 2.1613 2.1613 4.2253 4.2253 5.2532 5.2532 5.9346 5.9346 6.3655 6.3655 k = 0.1667-0.0000 0.2228 ( 3506 PWs) bands (ev): -49.0602 -49.0602 -48.9626 -48.9626 -42.6954 -42.6954 -42.5659 -42.5659 -4.8571 -4.8571 -4.2695 -4.2695 -2.4110 -2.4110 0.0028 0.0028 0.4056 0.4056 0.9202 0.9202 0.9293 0.9293 2.1188 2.1188 4.1778 4.1778 5.2698 5.2698 5.9435 5.9435 6.2863 6.2863 k = 0.1765-0.0000 0.2228 ( 3498 PWs) bands (ev): -49.0600 -49.0600 -48.9631 -48.9631 -42.6956 -42.6956 -42.5652 -42.5652 -4.8516 -4.8516 -4.2638 -4.2638 -2.3818 -2.3818 0.0217 0.0217 0.3733 0.3733 0.9319 0.9319 0.9613 0.9613 2.0795 2.0795 4.1314 4.1314 5.2869 5.2869 5.9515 5.9515 6.2043 6.2043 k = 0.1863-0.0000 0.2228 ( 3494 PWs) bands (ev): -49.0599 -49.0599 -48.9635 -48.9635 -42.6959 -42.6959 -42.5644 -42.5644 -4.8460 -4.8460 -4.2578 -4.2578 -2.3512 -2.3512 0.0368 0.0368 0.3450 0.3450 0.9420 0.9420 0.9951 0.9951 2.0439 2.0439 4.0864 4.0864 5.3045 5.3045 5.9589 5.9589 6.1197 6.1197 k = 0.1961-0.0000 0.2228 ( 3490 PWs) bands (ev): -49.0598 -49.0598 -48.9639 -48.9639 -42.6961 -42.6961 -42.5637 -42.5637 -4.8401 -4.8401 -4.2516 -4.2516 -2.3195 -2.3195 0.0451 0.0451 0.3236 0.3236 0.9501 0.9501 1.0307 1.0307 2.0127 2.0127 4.0430 4.0430 5.3223 5.3223 5.9660 5.9660 6.0328 6.0328 k = 0.2059-0.0000 0.2228 ( 3490 PWs) bands (ev): -49.0597 -49.0597 -48.9644 -48.9644 -42.6964 -42.6964 -42.5629 -42.5629 -4.8342 -4.8342 -4.2451 -4.2451 -2.2866 -2.2866 0.0431 0.0431 0.3128 0.3128 0.9557 0.9557 1.0681 1.0681 1.9864 1.9864 4.0013 4.0013 5.3402 5.3402 5.9437 5.9437 5.9728 5.9728 k = 0.2157-0.0000 0.2228 ( 3490 PWs) bands (ev): -49.0595 -49.0595 -48.9649 -48.9649 -42.6967 -42.6967 -42.5621 -42.5621 -4.8281 -4.8281 -4.2385 -4.2385 -2.2526 -2.2526 0.0289 0.0289 0.3146 0.3146 0.9584 0.9584 1.1072 1.1072 1.9656 1.9656 3.9614 3.9614 5.3582 5.3582 5.8528 5.8528 5.9794 5.9794 k = 0.2255-0.0000 0.2228 ( 3502 PWs) bands (ev): -49.0594 -49.0594 -48.9653 -48.9653 -42.6969 -42.6969 -42.5613 -42.5613 -4.8219 -4.8219 -4.2317 -4.2317 -2.2177 -2.2177 0.0036 0.0036 0.3281 0.3281 0.9578 0.9578 1.1481 1.1481 1.9505 1.9505 3.9234 3.9234 5.3759 5.3759 5.7602 5.7602 5.9859 5.9859 k = 0.2353-0.0000 0.2228 ( 3498 PWs) bands (ev): -49.0593 -49.0593 -48.9658 -48.9658 -42.6972 -42.6972 -42.5605 -42.5605 -4.8156 -4.8156 -4.2247 -4.2247 -2.1820 -2.1820 -0.0299 -0.0299 0.3503 0.3503 0.9538 0.9538 1.1907 1.1907 1.9415 1.9415 3.8874 3.8874 5.3933 5.3933 5.6661 5.6661 5.9923 5.9923 k = 0.2451-0.0000 0.2228 ( 3498 PWs) bands (ev): -49.0591 -49.0591 -48.9663 -48.9663 -42.6975 -42.6975 -42.5597 -42.5597 -4.8093 -4.8093 -4.2176 -4.2176 -2.1455 -2.1455 -0.0686 -0.0686 0.3786 0.3786 0.9462 0.9462 1.2350 1.2350 1.9387 1.9387 3.8533 3.8533 5.4102 5.4102 5.5708 5.5708 5.9987 5.9987 k = 0.2549-0.0000 0.2228 ( 3494 PWs) bands (ev): -49.0590 -49.0590 -48.9668 -48.9668 -42.6977 -42.6977 -42.5589 -42.5589 -4.8029 -4.8029 -4.2104 -4.2104 -2.1083 -2.1083 -0.1106 -0.1106 0.4111 0.4111 0.9352 0.9352 1.2810 1.2810 1.9418 1.9418 3.8213 3.8213 5.4263 5.4263 5.4744 5.4744 6.0050 6.0050 k = 0.2647-0.0000 0.2228 ( 3494 PWs) bands (ev): -49.0588 -49.0588 -48.9673 -48.9673 -42.6980 -42.6980 -42.5581 -42.5581 -4.7966 -4.7966 -4.2031 -4.2031 -2.0706 -2.0706 -0.1546 -0.1546 0.4465 0.4465 0.9210 0.9210 1.3287 1.3287 1.9507 1.9507 3.7912 3.7912 5.3771 5.3771 5.4415 5.4415 6.0113 6.0113 k = 0.2745-0.0000 0.2228 ( 3494 PWs) bands (ev): -49.0587 -49.0587 -48.9678 -48.9678 -42.6982 -42.6982 -42.5573 -42.5573 -4.7902 -4.7902 -4.1957 -4.1957 -2.0325 -2.0325 -0.1997 -0.1997 0.4840 0.4840 0.9041 0.9041 1.3781 1.3781 1.9649 1.9649 3.7631 3.7631 5.2791 5.2791 5.4556 5.4556 6.0175 6.0175 k = 0.2843-0.0000 0.2228 ( 3510 PWs) bands (ev): -49.0585 -49.0585 -48.9683 -48.9683 -42.6984 -42.6984 -42.5565 -42.5565 -4.7839 -4.7839 -4.1883 -4.1883 -1.9941 -1.9941 -0.2453 -0.2453 0.5230 0.5230 0.8848 0.8848 1.4291 1.4291 1.9839 1.9839 3.7370 3.7370 5.1806 5.1806 5.4684 5.4684 6.0236 6.0236 k = 0.2941-0.0000 0.2228 ( 3506 PWs) bands (ev): -49.0584 -49.0584 -48.9687 -48.9687 -42.6987 -42.6987 -42.5557 -42.5557 -4.7777 -4.7777 -4.1808 -4.1808 -1.9556 -1.9556 -0.2909 -0.2909 0.5632 0.5632 0.8637 0.8637 1.4818 1.4818 2.0071 2.0071 3.7128 3.7128 5.0817 5.0817 5.4795 5.4795 6.0297 6.0297 k = 0.3039-0.0000 0.2228 ( 3506 PWs) bands (ev): -49.0583 -49.0583 -48.9692 -48.9692 -42.6989 -42.6989 -42.5550 -42.5550 -4.7715 -4.7715 -4.1734 -4.1734 -1.9172 -1.9172 -0.3361 -0.3361 0.6042 0.6042 0.8413 0.8413 1.5360 1.5360 2.0339 2.0339 3.6905 3.6905 4.9825 4.9825 5.4889 5.4889 6.0358 6.0358 k = 0.3137-0.0000 0.2228 ( 3504 PWs) bands (ev): -49.0581 -49.0581 -48.9697 -48.9697 -42.6991 -42.6991 -42.5543 -42.5543 -4.7655 -4.7655 -4.1660 -4.1660 -1.8789 -1.8789 -0.3806 -0.3806 0.6457 0.6457 0.8179 0.8179 1.5918 1.5918 2.0637 2.0637 3.6701 3.6701 4.8833 4.8833 5.4964 5.4964 6.0417 6.0417 k = 0.3235-0.0000 0.2228 ( 3500 PWs) bands (ev): -49.0580 -49.0580 -48.9701 -48.9701 -42.6993 -42.6993 -42.5536 -42.5536 -4.7595 -4.7595 -4.1587 -4.1587 -1.8409 -1.8409 -0.4243 -0.4243 0.6875 0.6875 0.7940 0.7940 1.6492 1.6492 2.0961 2.0961 3.6516 3.6516 4.7842 4.7842 5.5017 5.5017 6.0476 6.0476 k = 0.3333-0.0000 0.2228 ( 3506 PWs) bands (ev): -49.0578 -49.0578 -48.9706 -48.9706 -42.6995 -42.6995 -42.5529 -42.5529 -4.7538 -4.7538 -4.1515 -4.1515 -1.8035 -1.8035 -0.4667 -0.4667 0.7293 0.7293 0.7700 0.7700 1.7080 1.7080 2.1304 2.1304 3.6347 3.6347 4.6852 4.6852 5.5048 5.5048 6.0534 6.0534 k = 0.3431-0.0000 0.2228 ( 3506 PWs) bands (ev): -49.0577 -49.0577 -48.9710 -48.9710 -42.6997 -42.6997 -42.5522 -42.5522 -4.7482 -4.7482 -4.1445 -4.1445 -1.7668 -1.7668 -0.5079 -0.5079 0.7462 0.7462 0.7707 0.7707 1.7682 1.7682 2.1662 2.1662 3.6196 3.6196 4.5867 4.5867 5.5055 5.5055 6.0590 6.0590 k = 0.3529-0.0000 0.2228 ( 3504 PWs) bands (ev): -49.0575 -49.0575 -48.9714 -48.9714 -42.6999 -42.6999 -42.5516 -42.5516 -4.7429 -4.7429 -4.1376 -4.1376 -1.7309 -1.7309 -0.5474 -0.5474 0.7228 0.7228 0.8117 0.8117 1.8299 1.8299 2.2029 2.2029 3.6062 3.6062 4.4887 4.4887 5.5037 5.5037 6.0646 6.0646 k = 0.3627-0.0000 0.2228 ( 3504 PWs) bands (ev): -49.0574 -49.0574 -48.9718 -48.9718 -42.7001 -42.7001 -42.5510 -42.5510 -4.7377 -4.7377 -4.1309 -4.1309 -1.6961 -1.6961 -0.5852 -0.5852 0.7002 0.7002 0.8518 0.8518 1.8928 1.8928 2.2402 2.2402 3.5944 3.5944 4.3914 4.3914 5.4996 5.4996 6.0700 6.0700 k = 0.3725-0.0000 0.2228 ( 3504 PWs) bands (ev): -49.0573 -49.0573 -48.9722 -48.9722 -42.7002 -42.7002 -42.5504 -42.5504 -4.7329 -4.7329 -4.1245 -4.1245 -1.6626 -1.6626 -0.6212 -0.6212 0.6784 0.6784 0.8909 0.8909 1.9569 1.9569 2.2774 2.2774 3.5840 3.5840 4.2949 4.2949 5.4932 5.4932 6.0753 6.0753 k = 0.3824-0.0000 0.2228 ( 3504 PWs) bands (ev): -49.0572 -49.0572 -48.9726 -48.9726 -42.7004 -42.7004 -42.5499 -42.5499 -4.7283 -4.7283 -4.1183 -4.1183 -1.6305 -1.6305 -0.6551 -0.6551 0.6577 0.6577 0.9286 0.9286 2.0222 2.0222 2.3143 2.3143 3.5751 3.5751 4.1994 4.1994 5.4846 5.4846 6.0804 6.0804 k = 0.3922-0.0000 0.2228 ( 3504 PWs) bands (ev): -49.0571 -49.0571 -48.9729 -48.9729 -42.7005 -42.7005 -42.5494 -42.5494 -4.7239 -4.7239 -4.1125 -4.1125 -1.6001 -1.6001 -0.6868 -0.6868 0.6383 0.6383 0.9647 0.9647 2.0884 2.0884 2.3504 2.3504 3.5676 3.5676 4.1052 4.1052 5.4741 5.4741 6.0853 6.0853 k = 0.4020-0.0000 0.2228 ( 3502 PWs) bands (ev): -49.0570 -49.0570 -48.9732 -48.9732 -42.7006 -42.7006 -42.5489 -42.5489 -4.7199 -4.7199 -4.1070 -4.1070 -1.5715 -1.5715 -0.7162 -0.7162 0.6202 0.6202 0.9989 0.9989 2.1553 2.1553 2.3851 2.3851 3.5613 3.5613 4.0125 4.0125 5.4621 5.4621 6.0900 6.0900 k = 0.4118-0.0000 0.2228 ( 3502 PWs) bands (ev): -49.0568 -49.0568 -48.9735 -48.9735 -42.7008 -42.7008 -42.5485 -42.5485 -4.7162 -4.7162 -4.1020 -4.1020 -1.5450 -1.5450 -0.7431 -0.7431 0.6035 0.6035 1.0309 1.0309 2.2228 2.2228 2.4182 2.4182 3.5561 3.5561 3.9216 3.9216 5.4489 5.4489 6.0946 6.0946 k = 0.4216-0.0000 0.2228 ( 3506 PWs) bands (ev): -49.0568 -49.0568 -48.9738 -48.9738 -42.7009 -42.7009 -42.5481 -42.5481 -4.7129 -4.7129 -4.0973 -4.0973 -1.5206 -1.5206 -0.7675 -0.7675 0.5884 0.5884 1.0604 1.0604 2.2904 2.2904 2.4492 2.4492 3.5520 3.5520 3.8329 3.8329 5.4351 5.4351 6.0987 6.0987 k = 0.4314-0.0000 0.2228 ( 3502 PWs) bands (ev): -49.0567 -49.0567 -48.9740 -48.9740 -42.7009 -42.7009 -42.5478 -42.5478 -4.7099 -4.7099 -4.0932 -4.0932 -1.4987 -1.4987 -0.7893 -0.7893 0.5749 0.5749 1.0872 1.0872 2.3576 2.3576 2.4776 2.4776 3.5488 3.5488 3.7469 3.7469 5.4212 5.4212 6.1027 6.1027 k = 0.4412-0.0000 0.2228 ( 3496 PWs) bands (ev): -49.0566 -49.0566 -48.9742 -48.9742 -42.7010 -42.7010 -42.5475 -42.5475 -4.7073 -4.7073 -4.0895 -4.0895 -1.4794 -1.4794 -0.8084 -0.8084 0.5631 0.5631 1.1111 1.1111 2.4239 2.4239 2.5032 2.5032 3.5463 3.5463 3.6644 3.6644 5.4077 5.4077 6.1062 6.1062 k = 0.4510-0.0000 0.2228 ( 3484 PWs) bands (ev): -49.0566 -49.0566 -48.9744 -48.9744 -42.7011 -42.7011 -42.5473 -42.5473 -4.7051 -4.7051 -4.0863 -4.0863 -1.4627 -1.4627 -0.8246 -0.8246 0.5531 0.5531 1.1316 1.1316 2.4879 2.4879 2.5255 2.5255 3.5445 3.5445 3.5865 3.5865 5.3951 5.3951 6.1094 6.1094 k = 0.4608-0.0000 0.2228 ( 3480 PWs) bands (ev): -49.0565 -49.0565 -48.9745 -48.9745 -42.7012 -42.7012 -42.5471 -42.5471 -4.7032 -4.7032 -4.0837 -4.0837 -1.4489 -1.4489 -0.8380 -0.8380 0.5448 0.5448 1.1488 1.1488 2.5442 2.5442 2.5482 2.5482 3.5149 3.5149 3.5433 3.5433 5.3840 5.3840 6.1120 6.1120 k = 0.4706-0.0000 0.2228 ( 3486 PWs) bands (ev): -49.0565 -49.0565 -48.9746 -48.9746 -42.7012 -42.7012 -42.5469 -42.5469 -4.7018 -4.7018 -4.0816 -4.0816 -1.4380 -1.4380 -0.8485 -0.8485 0.5383 0.5383 1.1623 1.1623 2.5591 2.5591 2.6023 2.6023 3.4519 3.4519 3.5424 3.5424 5.3748 5.3748 6.1141 6.1141 k = 0.4804-0.0000 0.2228 ( 3474 PWs) bands (ev): -49.0564 -49.0564 -48.9747 -48.9747 -42.7012 -42.7012 -42.5468 -42.5468 -4.7007 -4.7007 -4.0801 -4.0801 -1.4302 -1.4302 -0.8560 -0.8560 0.5336 0.5336 1.1721 1.1721 2.5699 2.5699 2.6465 2.6465 3.4014 3.4014 3.5419 3.5419 5.3680 5.3680 6.1157 6.1157 k = 0.4902-0.0000 0.2228 ( 3478 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7012 -42.7012 -42.5467 -42.5467 -4.7001 -4.7001 -4.0792 -4.0792 -1.4255 -1.4255 -0.8605 -0.8605 0.5309 0.5309 1.1780 1.1780 2.5764 2.5764 2.6761 2.6761 3.3679 3.3679 3.5416 3.5416 5.3638 5.3638 6.1167 6.1167 k = 0.5000-0.0000 0.2228 ( 3472 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7012 -42.7012 -42.5467 -42.5467 -4.6999 -4.6999 -4.0789 -4.0789 -1.4239 -1.4239 -0.8621 -0.8621 0.5299 0.5299 1.1800 1.1800 2.5786 2.5786 2.6867 2.6867 3.3561 3.3561 3.5415 3.5415 5.3623 5.3623 6.1170 6.1170 k = 0.5000-0.0000 0.2228 ( 3472 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7012 -42.7012 -42.5467 -42.5467 -4.6999 -4.6999 -4.0789 -4.0789 -1.4239 -1.4239 -0.8621 -0.8621 0.5299 0.5299 1.1800 1.1800 2.5786 2.5786 2.6867 2.6867 3.3561 3.3561 3.5415 3.5415 5.3623 5.3623 6.1170 6.1170 k = 0.5000 0.0096 0.2228 ( 3484 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7012 -42.7012 -42.5467 -42.5467 -4.6994 -4.6994 -4.0783 -4.0783 -1.4294 -1.4294 -0.8653 -0.8653 0.5360 0.5360 1.1805 1.1805 2.5808 2.5808 2.6868 2.6868 3.3564 3.3564 3.5472 3.5472 5.3610 5.3610 6.1180 6.1180 k = 0.5000 0.0193 0.2228 ( 3480 PWs) bands (ev): -49.0563 -49.0563 -48.9749 -48.9749 -42.7010 -42.7010 -42.5469 -42.5469 -4.6979 -4.6979 -4.0766 -4.0766 -1.4458 -1.4458 -0.8752 -0.8752 0.5540 0.5540 1.1818 1.1818 2.5871 2.5871 2.6872 2.6872 3.3570 3.3570 3.5645 3.5645 5.3570 5.3570 6.1209 6.1209 k = 0.5000 0.0289 0.2228 ( 3492 PWs) bands (ev): -49.0561 -49.0561 -48.9751 -48.9751 -42.7007 -42.7007 -42.5472 -42.5472 -4.6954 -4.6954 -4.0737 -4.0737 -1.4724 -1.4724 -0.8914 -0.8914 0.5833 0.5833 1.1842 1.1842 2.5978 2.5978 2.6878 2.6878 3.3578 3.3578 3.5932 3.5932 5.3503 5.3503 6.1258 6.1258 k = 0.5000 0.0386 0.2228 ( 3496 PWs) bands (ev): -49.0559 -49.0559 -48.9753 -48.9753 -42.7003 -42.7003 -42.5476 -42.5476 -4.6918 -4.6918 -4.0696 -4.0696 -1.5082 -1.5082 -0.9139 -0.9139 0.6230 0.6230 1.1878 1.1878 2.6127 2.6127 2.6887 2.6887 3.3585 3.3585 3.6332 3.6332 5.3408 5.3408 6.1327 6.1327 k = 0.5000 0.0482 0.2228 ( 3500 PWs) bands (ev): -49.0556 -49.0556 -48.9756 -48.9756 -42.6998 -42.6998 -42.5482 -42.5482 -4.6873 -4.6873 -4.0644 -4.0644 -1.5522 -1.5522 -0.9423 -0.9423 0.6717 0.6717 1.1927 1.1927 2.6319 2.6319 2.6899 2.6899 3.3591 3.3591 3.6844 3.6844 5.3284 5.3284 6.1415 6.1415 k = 0.5000 0.0579 0.2228 ( 3496 PWs) bands (ev): -49.0553 -49.0553 -48.9759 -48.9759 -42.6991 -42.6991 -42.5488 -42.5488 -4.6817 -4.6817 -4.0580 -4.0580 -1.6031 -1.6031 -0.9763 -0.9763 0.7283 0.7283 1.1992 1.1992 2.6554 2.6554 2.6913 2.6913 3.3594 3.3594 3.7460 3.7460 5.3129 5.3129 6.1428 6.1428 k = 0.5000 0.0675 0.2228 ( 3496 PWs) bands (ev): -49.0549 -49.0549 -48.9763 -48.9763 -42.6984 -42.6984 -42.5496 -42.5496 -4.6751 -4.6751 -4.0504 -4.0504 -1.6599 -1.6599 -1.0155 -1.0155 0.7916 0.7916 1.2073 1.2073 2.6833 2.6833 2.6929 2.6929 3.3595 3.3595 3.8176 3.8176 5.2944 5.2944 6.1040 6.1040 k = 0.5000 0.0772 0.2228 ( 3504 PWs) bands (ev): -49.0544 -49.0544 -48.9768 -48.9768 -42.6975 -42.6975 -42.5505 -42.5505 -4.6675 -4.6675 -4.0417 -4.0417 -1.7214 -1.7214 -1.0595 -1.0595 0.8603 0.8603 1.2174 1.2174 2.6947 2.6947 2.7156 2.7156 3.3594 3.3594 3.8985 3.8985 5.2726 5.2726 6.0607 6.0607 k = 0.5000 0.0868 0.2228 ( 3504 PWs) bands (ev): -49.0539 -49.0539 -48.9773 -48.9773 -42.6965 -42.6965 -42.5515 -42.5515 -4.6588 -4.6588 -4.0317 -4.0317 -1.7867 -1.7867 -1.1079 -1.1079 0.9334 0.9334 1.2295 1.2295 2.6967 2.6967 2.7523 2.7523 3.3592 3.3592 3.9881 3.9881 5.2473 5.2473 6.0133 6.0133 k = 0.5000 0.0965 0.2228 ( 3504 PWs) bands (ev): -49.0533 -49.0533 -48.9779 -48.9779 -42.6954 -42.6954 -42.5526 -42.5526 -4.6491 -4.6491 -4.0205 -4.0205 -1.8549 -1.8549 -1.1602 -1.1602 1.0101 1.0101 1.2438 1.2438 2.6989 2.6989 2.7935 2.7935 3.3587 3.3587 4.0857 4.0857 5.2186 5.2186 5.9621 5.9621 k = 0.5000 0.1061 0.2228 ( 3508 PWs) bands (ev): -49.0527 -49.0527 -48.9785 -48.9785 -42.6942 -42.6942 -42.5538 -42.5538 -4.6383 -4.6383 -4.0082 -4.0082 -1.9255 -1.9255 -1.2160 -1.2160 1.0895 1.0895 1.2604 1.2604 2.7012 2.7012 2.8391 2.8391 3.3582 3.3582 4.1908 4.1908 5.1862 5.1862 5.9074 5.9074 k = 0.5000 0.1158 0.2228 ( 3512 PWs) bands (ev): -49.0520 -49.0520 -48.9792 -48.9792 -42.6928 -42.6928 -42.5551 -42.5551 -4.6264 -4.6264 -3.9946 -3.9946 -1.9977 -1.9977 -1.2749 -1.2749 1.1708 1.1708 1.2793 1.2793 2.7037 2.7037 2.8891 2.8891 3.3575 3.3575 4.3028 4.3028 5.1501 5.1501 5.8496 5.8496 k = 0.5000 0.1254 0.2228 ( 3512 PWs) bands (ev): -49.0512 -49.0512 -48.9800 -48.9800 -42.6914 -42.6914 -42.5566 -42.5566 -4.6135 -4.6135 -3.9798 -3.9798 -2.0712 -2.0712 -1.3363 -1.3363 1.2537 1.2537 1.3005 1.3005 2.7062 2.7062 2.9435 2.9435 3.3568 3.3568 4.4211 4.4211 5.1103 5.1103 5.7888 5.7888 k = 0.5000 0.1351 0.2228 ( 3512 PWs) bands (ev): -49.0504 -49.0504 -48.9808 -48.9808 -42.6899 -42.6899 -42.5581 -42.5581 -4.5995 -4.5995 -3.9638 -3.9638 -2.1454 -2.1454 -1.4000 -1.4000 1.3241 1.3241 1.3375 1.3375 2.7088 2.7088 3.0022 3.0022 3.3560 3.3560 4.5454 4.5454 5.0668 5.0668 5.7254 5.7254 k = 0.5000 0.1447 0.2228 ( 3508 PWs) bands (ev): -49.0495 -49.0495 -48.9817 -48.9817 -42.6882 -42.6882 -42.5597 -42.5597 -4.5844 -4.5844 -3.9466 -3.9466 -2.2201 -2.2201 -1.4655 -1.4655 1.3501 1.3501 1.4219 1.4219 2.7114 2.7114 3.0652 3.0652 3.3552 3.3552 4.6751 4.6751 5.0196 5.0196 5.6595 5.6595 k = 0.5000 0.1544 0.2228 ( 3496 PWs) bands (ev): -49.0486 -49.0486 -48.9826 -48.9826 -42.6865 -42.6865 -42.5615 -42.5615 -4.5682 -4.5682 -3.9280 -3.9280 -2.2948 -2.2948 -1.5326 -1.5326 1.3784 1.3784 1.5065 1.5065 2.7140 2.7140 3.1322 3.1322 3.3544 3.3544 4.8099 4.8099 4.9689 4.9689 5.5912 5.5912 k = 0.5000 0.1640 0.2228 ( 3492 PWs) bands (ev): -49.0476 -49.0476 -48.9835 -48.9835 -42.6847 -42.6847 -42.5633 -42.5633 -4.5509 -4.5509 -3.9082 -3.9082 -2.3695 -2.3695 -1.6008 -1.6008 1.4090 1.4090 1.5912 1.5912 2.7165 2.7165 3.2031 3.2031 3.3536 3.3536 4.9149 4.9149 4.9494 4.9494 5.5208 5.5208 k = 0.5000 0.1737 0.2228 ( 3492 PWs) bands (ev): -49.0466 -49.0466 -48.9845 -48.9845 -42.6828 -42.6828 -42.5652 -42.5652 -4.5324 -4.5324 -3.8872 -3.8872 -2.4439 -2.4439 -1.6699 -1.6699 1.4418 1.4418 1.6758 1.6758 2.7189 2.7189 3.2777 3.2777 3.3529 3.3529 4.8576 4.8576 5.0933 5.0933 5.4483 5.4483 k = 0.5000 0.1833 0.2228 ( 3492 PWs) bands (ev): -49.0455 -49.0455 -48.9856 -48.9856 -42.6808 -42.6808 -42.5673 -42.5673 -4.5128 -4.5128 -3.8649 -3.8649 -2.5178 -2.5178 -1.7397 -1.7397 1.4768 1.4768 1.7601 1.7601 2.7210 2.7210 3.3522 3.3522 3.3558 3.3558 4.7975 4.7975 5.2412 5.2412 5.3738 5.3738 k = 0.5000 0.1930 0.2228 ( 3480 PWs) bands (ev): -49.0444 -49.0444 -48.9867 -48.9867 -42.6786 -42.6786 -42.5694 -42.5694 -4.4921 -4.4921 -3.8412 -3.8412 -2.5910 -2.5910 -1.8098 -1.8098 1.5139 1.5139 1.8441 1.8441 2.7229 2.7229 3.3517 3.3517 3.4368 3.4368 4.7348 4.7348 5.2975 5.2975 5.3930 5.3930 k = 0.5000 0.2026 0.2228 ( 3476 PWs) bands (ev): -49.0433 -49.0433 -48.9879 -48.9879 -42.6765 -42.6765 -42.5715 -42.5715 -4.4702 -4.4702 -3.8163 -3.8163 -2.6634 -2.6634 -1.8801 -1.8801 1.5530 1.5530 1.9278 1.9278 2.7245 2.7245 3.3513 3.3513 3.5206 3.5206 4.6697 4.6697 5.2194 5.2194 5.5482 5.5482 k = 0.5000 0.2123 0.2228 ( 3476 PWs) bands (ev): -49.0421 -49.0421 -48.9891 -48.9891 -42.6742 -42.6742 -42.5738 -42.5738 -4.4470 -4.4470 -3.7900 -3.7900 -2.7350 -2.7350 -1.9504 -1.9504 1.5941 1.5941 2.0112 2.0112 2.7256 2.7256 3.3511 3.3511 3.6069 3.6069 4.6026 4.6026 5.1397 5.1397 5.7067 5.7067 k = 0.5000 0.2219 0.2228 ( 3472 PWs) bands (ev): -49.0408 -49.0408 -48.9903 -48.9903 -42.6719 -42.6719 -42.5762 -42.5762 -4.4227 -4.4227 -3.7624 -3.7624 -2.8056 -2.8056 -2.0205 -2.0205 1.6370 1.6370 2.0943 2.0943 2.7262 2.7262 3.3512 3.3512 3.6952 3.6952 4.5339 4.5339 5.0584 5.0584 5.8682 5.8682 k = 0.5000 0.2316 0.2228 ( 3476 PWs) bands (ev): -49.0396 -49.0396 -48.9916 -48.9916 -42.6694 -42.6694 -42.5786 -42.5786 -4.3972 -4.3972 -3.7335 -3.7335 -2.8752 -2.8752 -2.0902 -2.0902 1.6816 1.6816 2.1774 2.1774 2.7261 2.7261 3.3516 3.3516 3.7851 3.7851 4.4640 4.4640 4.9756 4.9756 6.0325 6.0325 k = 0.5000 0.2412 0.2228 ( 3484 PWs) bands (ev): -49.0382 -49.0382 -48.9929 -48.9929 -42.6670 -42.6670 -42.5811 -42.5811 -4.3705 -4.3705 -3.7032 -3.7032 -2.9436 -2.9436 -2.1595 -2.1595 1.7279 1.7279 2.2603 2.2603 2.7253 2.7253 3.3524 3.3524 3.8763 3.8763 4.3933 4.3933 4.8914 4.8914 6.1993 6.1993 k = 0.5000 0.2508 0.2228 ( 3484 PWs) bands (ev): -49.0369 -49.0369 -48.9942 -48.9942 -42.6644 -42.6644 -42.5836 -42.5836 -4.3425 -4.3425 -3.6715 -3.6715 -3.0109 -3.0109 -2.2281 -2.2281 1.7756 1.7756 2.3433 2.3433 2.7234 2.7234 3.3537 3.3537 3.9683 3.9683 4.3221 4.3221 4.8060 4.8060 6.3299 6.3299 k = 0.5000 0.2605 0.2228 ( 3480 PWs) bands (ev): -49.0355 -49.0355 -48.9956 -48.9956 -42.6618 -42.6618 -42.5863 -42.5863 -4.3132 -4.3132 -3.6385 -3.6385 -3.0769 -3.0769 -2.2960 -2.2960 1.8246 1.8246 2.4264 2.4264 2.7205 2.7205 3.3556 3.3556 4.0609 4.0609 4.2509 4.2509 4.7194 4.7194 6.2464 6.2464 k = 0.5000 0.2701 0.2228 ( 3472 PWs) bands (ev): -49.0341 -49.0341 -48.9970 -48.9970 -42.6591 -42.6591 -42.5889 -42.5889 -4.2827 -4.2827 -3.6041 -3.6041 -3.1417 -3.1417 -2.3631 -2.3631 1.8748 1.8748 2.5097 2.5097 2.7162 2.7162 3.3582 3.3582 4.1535 4.1535 4.1801 4.1801 4.6319 4.6319 6.1636 6.1636 k = 0.5000 0.2798 0.2228 ( 3480 PWs) bands (ev): -49.0326 -49.0326 -48.9985 -48.9985 -42.6564 -42.6564 -42.5917 -42.5917 -4.2509 -4.2509 -3.5683 -3.5683 -3.2052 -3.2052 -2.4293 -2.4293 1.9260 1.9260 2.5933 2.5933 2.7104 2.7104 3.3617 3.3617 4.1102 4.1102 4.2460 4.2460 4.5434 4.5434 6.0815 6.0815 k = 0.5000 0.2894 0.2228 ( 3484 PWs) bands (ev): -49.0312 -49.0312 -48.9999 -48.9999 -42.6536 -42.6536 -42.5945 -42.5945 -4.2178 -4.2178 -3.5311 -3.5311 -3.2673 -3.2673 -2.4945 -2.4945 1.9779 1.9779 2.6774 2.6774 2.7029 2.7029 3.3661 3.3661 4.0415 4.0415 4.3381 4.3381 4.4542 4.4542 6.0001 6.0001 k = 0.5000 0.2991 0.2228 ( 3484 PWs) bands (ev): -49.0297 -49.0297 -49.0014 -49.0014 -42.6508 -42.6508 -42.5973 -42.5973 -4.1834 -4.1834 -3.4924 -3.4924 -3.3282 -3.3282 -2.5586 -2.5586 2.0304 2.0304 2.6932 2.6932 2.7618 2.7618 3.3718 3.3718 3.9747 3.9747 4.3643 4.3643 4.4295 4.4295 5.9194 5.9194 k = 0.5000 0.3087 0.2228 ( 3480 PWs) bands (ev): -49.0282 -49.0282 -49.0029 -49.0029 -42.6479 -42.6479 -42.6002 -42.6002 -4.1477 -4.1477 -3.4524 -3.4524 -3.3876 -3.3876 -2.6217 -2.6217 2.0832 2.0832 2.6813 2.6813 2.8468 2.8468 3.3788 3.3788 3.9100 3.9100 4.2739 4.2739 4.5199 4.5199 5.8393 5.8393 k = 0.5000 0.3184 0.2228 ( 3484 PWs) bands (ev): -49.0266 -49.0266 -49.0045 -49.0045 -42.6450 -42.6450 -42.6031 -42.6031 -4.1106 -4.1106 -3.4457 -3.4457 -3.4110 -3.4110 -2.6836 -2.6836 2.1359 2.1359 2.6667 2.6667 2.9324 2.9324 3.3875 3.3875 3.8481 3.8481 4.1832 4.1832 4.6093 4.6093 5.7596 5.7596 k = 0.5000 0.3280 0.2228 ( 3484 PWs) bands (ev): -49.0251 -49.0251 -49.0060 -49.0060 -42.6421 -42.6421 -42.6060 -42.6060 -4.0722 -4.0722 -3.5023 -3.5023 -3.3681 -3.3681 -2.7443 -2.7443 2.1882 2.1882 2.6492 2.6492 3.0185 3.0185 3.3982 3.3982 3.7894 3.7894 4.0923 4.0923 4.6976 4.6976 5.6803 5.6803 k = 0.5000 0.3377 0.2228 ( 3476 PWs) bands (ev): -49.0235 -49.0235 -49.0076 -49.0076 -42.6391 -42.6391 -42.6090 -42.6090 -4.0324 -4.0324 -3.5576 -3.5576 -3.3238 -3.3238 -2.8037 -2.8037 2.2398 2.2398 2.6285 2.6285 3.1053 3.1053 3.4111 3.4111 3.7342 3.7342 4.0012 4.0012 4.7847 4.7847 5.6012 5.6012 k = 0.5000 0.3473 0.2228 ( 3472 PWs) bands (ev): -49.0219 -49.0219 -49.0092 -49.0092 -42.6361 -42.6361 -42.6119 -42.6119 -3.9912 -3.9912 -3.6114 -3.6114 -3.2781 -3.2781 -2.8618 -2.8618 2.2903 2.2903 2.6044 2.6044 3.1926 3.1926 3.4266 3.4266 3.6830 3.6830 3.9101 3.9101 4.8705 4.8705 5.5221 5.5221 k = 0.5000 0.3570 0.2228 ( 3472 PWs) bands (ev): -49.0203 -49.0203 -49.0108 -49.0108 -42.6331 -42.6331 -42.6150 -42.6150 -3.9486 -3.9486 -3.6638 -3.6638 -3.2309 -3.2309 -2.9187 -2.9187 2.3392 2.3392 2.5767 2.5767 3.2806 3.2806 3.4450 3.4450 3.6360 3.6360 3.8192 3.8192 4.9551 4.9551 5.4428 5.4428 k = 0.5000 0.3666 0.2228 ( 3472 PWs) bands (ev): -49.0188 -49.0188 -49.0123 -49.0123 -42.6301 -42.6301 -42.6180 -42.6180 -3.9047 -3.9047 -3.7148 -3.7148 -3.1824 -3.1824 -2.9741 -2.9741 2.3860 2.3860 2.5454 2.5454 3.3691 3.3691 3.4668 3.4668 3.5934 3.5934 3.7284 3.7284 5.0386 5.0386 5.3633 5.3633 k = 0.5000 0.3763 0.2228 ( 3480 PWs) bands (ev): -49.0172 -49.0172 -49.0139 -49.0139 -42.6271 -42.6271 -42.6210 -42.6210 -3.8593 -3.8593 -3.7644 -3.7644 -3.1324 -3.1324 -3.0283 -3.0283 2.4305 2.4305 2.5104 2.5104 3.4582 3.4582 3.4922 3.4922 3.5553 3.5553 3.6379 3.6379 5.1210 5.1210 5.2832 5.2832 k = 0.5000 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8127 -3.8127 -3.8125 -3.8125 -3.0810 -3.0810 -3.0810 -3.0810 2.4720 2.4720 2.4720 2.4720 3.5216 3.5216 3.5216 3.5216 3.5479 3.5479 3.5479 3.5479 5.2025 5.2025 5.2025 5.2025 k = 0.5000 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8127 -3.8127 -3.8125 -3.8125 -3.0810 -3.0810 -3.0810 -3.0810 2.4720 2.4720 2.4720 2.4720 3.5216 3.5216 3.5216 3.5216 3.5479 3.5479 3.5479 3.5479 5.2025 5.2025 5.2025 5.2025 k = 0.4902 0.3859 0.2228 ( 3488 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6241 -42.6241 -42.6240 -42.6240 -3.8130 -3.8130 -3.8127 -3.8127 -3.0811 -3.0811 -3.0811 -3.0811 2.4721 2.4721 2.4721 2.4721 3.5208 3.5208 3.5208 3.5208 3.5475 3.5475 3.5475 3.5475 5.2006 5.2006 5.2006 5.2006 k = 0.4804 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6241 -42.6241 -42.6241 -42.6241 -3.8138 -3.8138 -3.8136 -3.8136 -3.0812 -3.0812 -3.0812 -3.0812 2.4722 2.4722 2.4722 2.4722 3.5186 3.5186 3.5186 3.5186 3.5462 3.5462 3.5462 3.5462 5.1949 5.1949 5.1949 5.1949 k = 0.4706 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6241 -42.6241 -42.6241 -42.6241 -3.8152 -3.8152 -3.8150 -3.8150 -3.0814 -3.0814 -3.0814 -3.0814 2.4723 2.4723 2.4723 2.4723 3.5150 3.5150 3.5150 3.5150 3.5441 3.5441 3.5441 3.5441 5.1856 5.1856 5.1856 5.1856 k = 0.4608 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6242 -42.6242 -42.6242 -42.6242 -3.8172 -3.8172 -3.8170 -3.8170 -3.0817 -3.0817 -3.0817 -3.0817 2.4724 2.4724 2.4724 2.4724 3.5103 3.5103 3.5103 3.5103 3.5412 3.5412 3.5412 3.5412 5.1727 5.1727 5.1727 5.1727 k = 0.4510 0.3859 0.2228 ( 3484 PWs) bands (ev): -49.0154 -49.0154 -49.0154 -49.0154 -42.6243 -42.6243 -42.6242 -42.6242 -3.8197 -3.8197 -3.8195 -3.8195 -3.0821 -3.0821 -3.0821 -3.0821 2.4722 2.4722 2.4722 2.4722 3.5047 3.5047 3.5047 3.5047 3.5373 3.5373 3.5373 3.5373 5.1567 5.1567 5.1567 5.1567 k = 0.4412 0.3859 0.2228 ( 3488 PWs) bands (ev): -49.0154 -49.0154 -49.0154 -49.0154 -42.6243 -42.6243 -42.6243 -42.6243 -3.8227 -3.8227 -3.8225 -3.8225 -3.0826 -3.0826 -3.0826 -3.0826 2.4716 2.4716 2.4716 2.4716 3.4985 3.4985 3.4985 3.4985 3.5326 3.5326 3.5326 3.5326 5.1377 5.1377 5.1377 5.1377 k = 0.4314 0.3859 0.2228 ( 3488 PWs) bands (ev): -49.0153 -49.0153 -49.0153 -49.0153 -42.6244 -42.6244 -42.6244 -42.6244 -3.8263 -3.8263 -3.8261 -3.8261 -3.0832 -3.0832 -3.0832 -3.0832 2.4704 2.4704 2.4704 2.4704 3.4922 3.4922 3.4922 3.4922 3.5269 3.5269 3.5269 3.5269 5.1162 5.1162 5.1162 5.1162 k = 0.4216 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0152 -49.0152 -49.0152 -49.0152 -42.6246 -42.6246 -42.6246 -42.6246 -3.8304 -3.8304 -3.8302 -3.8302 -3.0839 -3.0839 -3.0839 -3.0839 2.4684 2.4684 2.4684 2.4684 3.4862 3.4862 3.4862 3.4862 3.5202 3.5202 3.5202 3.5202 5.0926 5.0926 5.0926 5.0926 k = 0.4118 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0151 -49.0151 -49.0151 -49.0151 -42.6247 -42.6247 -42.6247 -42.6247 -3.8349 -3.8349 -3.8347 -3.8347 -3.0846 -3.0846 -3.0846 -3.0846 2.4653 2.4653 2.4653 2.4653 3.4810 3.4810 3.4810 3.4810 3.5124 3.5124 3.5124 3.5124 5.0671 5.0671 5.0671 5.0671 k = 0.4020 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0150 -49.0150 -49.0150 -49.0150 -42.6248 -42.6248 -42.6248 -42.6248 -3.8400 -3.8400 -3.8397 -3.8397 -3.0855 -3.0855 -3.0855 -3.0855 2.4608 2.4608 2.4608 2.4608 3.4771 3.4771 3.4771 3.4771 3.5036 3.5036 3.5036 3.5036 5.0403 5.0403 5.0403 5.0403 k = 0.3922 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0149 -49.0149 -49.0149 -49.0149 -42.6250 -42.6250 -42.6250 -42.6250 -3.8454 -3.8454 -3.8452 -3.8452 -3.0864 -3.0864 -3.0864 -3.0864 2.4547 2.4547 2.4547 2.4547 3.4749 3.4749 3.4750 3.4750 3.4936 3.4936 3.4936 3.4936 5.0126 5.0126 5.0126 5.0126 k = 0.3824 0.3859 0.2228 ( 3488 PWs) bands (ev): -49.0148 -49.0148 -49.0148 -49.0148 -42.6252 -42.6252 -42.6252 -42.6252 -3.8513 -3.8513 -3.8511 -3.8511 -3.0875 -3.0875 -3.0875 -3.0875 2.4467 2.4467 2.4467 2.4467 3.4750 3.4750 3.4751 3.4751 3.4825 3.4825 3.4825 3.4825 4.9842 4.9842 4.9843 4.9843 k = 0.3725 0.3859 0.2228 ( 3488 PWs) bands (ev): -49.0147 -49.0147 -49.0147 -49.0147 -42.6254 -42.6254 -42.6254 -42.6254 -3.8576 -3.8576 -3.8574 -3.8574 -3.0886 -3.0886 -3.0886 -3.0886 2.4367 2.4367 2.4367 2.4367 3.4700 3.4700 3.4700 3.4700 3.4781 3.4781 3.4781 3.4781 4.9557 4.9557 4.9558 4.9558 k = 0.3627 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0146 -49.0146 -49.0146 -49.0146 -42.6256 -42.6256 -42.6256 -42.6256 -3.8642 -3.8642 -3.8640 -3.8640 -3.0898 -3.0898 -3.0898 -3.0898 2.4244 2.4244 2.4244 2.4244 3.4564 3.4564 3.4565 3.4565 3.4841 3.4841 3.4841 3.4841 4.9274 4.9274 4.9275 4.9275 k = 0.3529 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0145 -49.0145 -49.0145 -49.0145 -42.6258 -42.6258 -42.6258 -42.6258 -3.8712 -3.8712 -3.8710 -3.8710 -3.0912 -3.0912 -3.0912 -3.0912 2.4098 2.4098 2.4098 2.4098 3.4416 3.4416 3.4416 3.4416 3.4935 3.4935 3.4935 3.4935 4.8996 4.8996 4.8996 4.8996 k = 0.3431 0.3859 0.2228 ( 3468 PWs) bands (ev): -49.0143 -49.0143 -49.0143 -49.0143 -42.6260 -42.6260 -42.6260 -42.6260 -3.8785 -3.8785 -3.8783 -3.8783 -3.0926 -3.0926 -3.0926 -3.0926 2.3929 2.3929 2.3929 2.3929 3.4254 3.4254 3.4255 3.4255 3.5066 3.5066 3.5066 3.5066 4.8725 4.8725 4.8726 4.8726 k = 0.3333 0.3859 0.2228 ( 3476 PWs) bands (ev): -49.0142 -49.0142 -49.0142 -49.0142 -42.6262 -42.6262 -42.6262 -42.6262 -3.8861 -3.8861 -3.8859 -3.8859 -3.0941 -3.0941 -3.0941 -3.0941 2.3737 2.3737 2.3737 2.3737 3.4080 3.4080 3.4080 3.4080 3.5235 3.5235 3.5235 3.5235 4.8465 4.8465 4.8465 4.8465 k = 0.3235 0.3859 0.2228 ( 3468 PWs) bands (ev): -49.0140 -49.0140 -49.0140 -49.0140 -42.6265 -42.6265 -42.6265 -42.6265 -3.8939 -3.8939 -3.8937 -3.8937 -3.0957 -3.0957 -3.0957 -3.0957 2.3523 2.3523 2.3524 2.3524 3.3894 3.3894 3.3894 3.3894 3.5442 3.5442 3.5442 3.5442 4.8217 4.8217 4.8218 4.8218 k = 0.3137 0.3859 0.2228 ( 3444 PWs) bands (ev): -49.0139 -49.0139 -49.0139 -49.0139 -42.6267 -42.6267 -42.6267 -42.6267 -3.9019 -3.9019 -3.9017 -3.9017 -3.0973 -3.0973 -3.0973 -3.0973 2.3290 2.3290 2.3290 2.3290 3.3695 3.3695 3.3695 3.3695 3.5688 3.5688 3.5688 3.5688 4.7984 4.7984 4.7984 4.7984 k = 0.3039 0.3859 0.2228 ( 3452 PWs) bands (ev): -49.0137 -49.0137 -49.0137 -49.0137 -42.6270 -42.6270 -42.6270 -42.6270 -3.9102 -3.9102 -3.9100 -3.9100 -3.0991 -3.0991 -3.0991 -3.0991 2.3039 2.3039 2.3039 2.3039 3.3485 3.3485 3.3485 3.3485 3.5971 3.5971 3.5972 3.5972 4.7765 4.7765 4.7766 4.7766 k = 0.2941 0.3859 0.2228 ( 3452 PWs) bands (ev): -49.0135 -49.0135 -49.0135 -49.0135 -42.6272 -42.6272 -42.6272 -42.6272 -3.9185 -3.9185 -3.9183 -3.9183 -3.1010 -3.1010 -3.1009 -3.1009 2.2773 2.2773 2.2773 2.2773 3.3264 3.3264 3.3265 3.3265 3.6291 3.6291 3.6292 3.6292 4.7564 4.7564 4.7564 4.7564 k = 0.2843 0.3859 0.2228 ( 3452 PWs) bands (ev): -49.0134 -49.0134 -49.0134 -49.0134 -42.6275 -42.6275 -42.6275 -42.6275 -3.9270 -3.9270 -3.9268 -3.9268 -3.1029 -3.1029 -3.1029 -3.1029 2.2494 2.2494 2.2494 2.2494 3.3034 3.3034 3.3034 3.3034 3.6646 3.6646 3.6646 3.6646 4.7379 4.7379 4.7380 4.7380 k = 0.2745 0.3859 0.2228 ( 3476 PWs) bands (ev): -49.0132 -49.0132 -49.0132 -49.0132 -42.6278 -42.6278 -42.6277 -42.6277 -3.9356 -3.9356 -3.9354 -3.9354 -3.1049 -3.1049 -3.1049 -3.1049 2.2205 2.2205 2.2205 2.2205 3.2795 3.2795 3.2796 3.2796 3.7034 3.7034 3.7035 3.7035 4.7212 4.7212 4.7212 4.7212 k = 0.2647 0.3859 0.2228 ( 3492 PWs) bands (ev): -49.0131 -49.0131 -49.0131 -49.0131 -42.6280 -42.6280 -42.6280 -42.6280 -3.9443 -3.9443 -3.9440 -3.9440 -3.1069 -3.1069 -3.1069 -3.1069 2.1908 2.1908 2.1908 2.1908 3.2549 3.2549 3.2549 3.2549 3.7453 3.7453 3.7454 3.7454 4.7062 4.7062 4.7062 4.7062 k = 0.2549 0.3859 0.2228 ( 3492 PWs) bands (ev): -49.0129 -49.0129 -49.0129 -49.0129 -42.6283 -42.6283 -42.6283 -42.6283 -3.9529 -3.9529 -3.9527 -3.9527 -3.1090 -3.1090 -3.1090 -3.1090 2.1606 2.1606 2.1606 2.1606 3.2297 3.2297 3.2297 3.2297 3.7902 3.7902 3.7902 3.7902 4.6929 4.6929 4.6929 4.6929 k = 0.2451 0.3859 0.2228 ( 3484 PWs) bands (ev): -49.0127 -49.0127 -49.0127 -49.0127 -42.6286 -42.6286 -42.6286 -42.6286 -3.9615 -3.9615 -3.9613 -3.9613 -3.1111 -3.1111 -3.1111 -3.1111 2.1302 2.1302 2.1302 2.1302 3.2040 3.2040 3.2041 3.2041 3.8378 3.8378 3.8378 3.8378 4.6812 4.6812 4.6813 4.6813 k = 0.2353 0.3859 0.2228 ( 3488 PWs) bands (ev): -49.0125 -49.0125 -49.0125 -49.0125 -42.6288 -42.6288 -42.6288 -42.6288 -3.9701 -3.9701 -3.9699 -3.9699 -3.1133 -3.1133 -3.1133 -3.1133 2.0997 2.0997 2.0997 2.0997 3.1781 3.1781 3.1781 3.1781 3.8878 3.8878 3.8879 3.8879 4.6712 4.6712 4.6712 4.6712 k = 0.2255 0.3859 0.2228 ( 3496 PWs) bands (ev): -49.0124 -49.0124 -49.0124 -49.0124 -42.6291 -42.6291 -42.6291 -42.6291 -3.9786 -3.9786 -3.9784 -3.9784 -3.1155 -3.1155 -3.1155 -3.1155 2.0693 2.0693 2.0693 2.0693 3.1520 3.1520 3.1520 3.1520 3.9402 3.9402 3.9402 3.9402 4.6626 4.6626 4.6627 4.6627 k = 0.2157 0.3859 0.2228 ( 3496 PWs) bands (ev): -49.0122 -49.0122 -49.0122 -49.0122 -42.6294 -42.6294 -42.6294 -42.6294 -3.9870 -3.9870 -3.9867 -3.9867 -3.1178 -3.1178 -3.1177 -3.1177 2.0392 2.0392 2.0392 2.0392 3.1259 3.1259 3.1259 3.1259 3.9946 3.9946 3.9946 3.9946 4.6555 4.6555 4.6555 4.6555 k = 0.2059 0.3859 0.2228 ( 3488 PWs) bands (ev): -49.0120 -49.0120 -49.0120 -49.0120 -42.6296 -42.6296 -42.6296 -42.6296 -3.9952 -3.9952 -3.9950 -3.9950 -3.1200 -3.1200 -3.1200 -3.1200 2.0096 2.0096 2.0097 2.0097 3.0999 3.0999 3.1000 3.1000 4.0508 4.0508 4.0508 4.0508 4.6496 4.6496 4.6497 4.6497 k = 0.1961 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0119 -49.0119 -49.0119 -49.0119 -42.6299 -42.6299 -42.6299 -42.6299 -4.0032 -4.0032 -4.0030 -4.0030 -3.1222 -3.1222 -3.1222 -3.1222 1.9807 1.9807 1.9807 1.9807 3.0743 3.0743 3.0743 3.0743 4.1085 4.1085 4.1086 4.1086 4.6450 4.6450 4.6451 4.6451 k = 0.1863 0.3859 0.2228 ( 3468 PWs) bands (ev): -49.0117 -49.0117 -49.0117 -49.0117 -42.6301 -42.6301 -42.6301 -42.6301 -4.0111 -4.0111 -4.0109 -4.0109 -3.1244 -3.1244 -3.1244 -3.1244 1.9525 1.9525 1.9525 1.9525 3.0491 3.0491 3.0491 3.0491 4.1676 4.1676 4.1677 4.1677 4.6414 4.6414 4.6415 4.6415 k = 0.1765 0.3859 0.2228 ( 3476 PWs) bands (ev): -49.0116 -49.0116 -49.0116 -49.0116 -42.6304 -42.6304 -42.6304 -42.6304 -4.0187 -4.0187 -4.0185 -4.0185 -3.1266 -3.1266 -3.1266 -3.1266 1.9252 1.9252 1.9252 1.9252 3.0244 3.0244 3.0245 3.0245 4.2277 4.2277 4.2277 4.2277 4.6388 4.6388 4.6389 4.6389 k = 0.1667 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0114 -49.0114 -49.0114 -49.0114 -42.6306 -42.6306 -42.6306 -42.6306 -4.0261 -4.0261 -4.0259 -4.0259 -3.1288 -3.1288 -3.1287 -3.1287 1.8988 1.8988 1.8988 1.8988 3.0004 3.0004 3.0005 3.0005 4.2885 4.2885 4.2885 4.2885 4.6371 4.6371 4.6372 4.6372 k = 0.1569 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0113 -49.0113 -49.0113 -49.0113 -42.6308 -42.6308 -42.6308 -42.6308 -4.0332 -4.0332 -4.0330 -4.0330 -3.1309 -3.1309 -3.1309 -3.1309 1.8736 1.8736 1.8736 1.8736 2.9773 2.9773 2.9773 2.9773 4.3497 4.3497 4.3497 4.3497 4.6362 4.6362 4.6363 4.6363 k = 0.1471 0.3859 0.2228 ( 3492 PWs) bands (ev): -49.0111 -49.0111 -49.0111 -49.0111 -42.6311 -42.6311 -42.6311 -42.6311 -4.0400 -4.0400 -4.0398 -4.0398 -3.1329 -3.1329 -3.1329 -3.1329 1.8495 1.8495 1.8495 1.8495 2.9550 2.9550 2.9551 2.9551 4.4109 4.4109 4.4110 4.4110 4.6359 4.6359 4.6360 4.6360 k = 0.1373 0.3859 0.2228 ( 3492 PWs) bands (ev): -49.0110 -49.0110 -49.0110 -49.0110 -42.6313 -42.6313 -42.6313 -42.6313 -4.0465 -4.0465 -4.0463 -4.0463 -3.1349 -3.1349 -3.1349 -3.1349 1.8267 1.8267 1.8267 1.8267 2.9338 2.9338 2.9338 2.9338 4.4719 4.4719 4.4719 4.4719 4.6362 4.6362 4.6362 4.6362 k = 0.1275 0.3859 0.2228 ( 3508 PWs) bands (ev): -49.0109 -49.0109 -49.0109 -49.0109 -42.6315 -42.6315 -42.6315 -42.6315 -4.0526 -4.0526 -4.0524 -4.0524 -3.1368 -3.1368 -3.1368 -3.1368 1.8052 1.8052 1.8052 1.8052 2.9136 2.9136 2.9137 2.9137 4.5321 4.5321 4.5322 4.5322 4.6369 4.6369 4.6369 4.6369 k = 0.1176 0.3859 0.2228 ( 3508 PWs) bands (ev): -49.0108 -49.0108 -49.0108 -49.0108 -42.6317 -42.6317 -42.6317 -42.6317 -4.0584 -4.0584 -4.0582 -4.0582 -3.1386 -3.1386 -3.1386 -3.1386 1.7850 1.7850 1.7850 1.7850 2.8947 2.8947 2.8947 2.8947 4.5912 4.5912 4.5912 4.5912 4.6379 4.6379 4.6380 4.6380 k = 0.1078 0.3859 0.2228 ( 3516 PWs) bands (ev): -49.0106 -49.0106 -49.0106 -49.0106 -42.6318 -42.6318 -42.6318 -42.6318 -4.0637 -4.0637 -4.0635 -4.0635 -3.1403 -3.1403 -3.1403 -3.1403 1.7663 1.7663 1.7663 1.7663 2.8770 2.8770 2.8770 2.8770 4.6393 4.6393 4.6393 4.6393 4.6486 4.6486 4.6487 4.6487 k = 0.0980 0.3859 0.2228 ( 3508 PWs) bands (ev): -49.0105 -49.0105 -49.0105 -49.0105 -42.6320 -42.6320 -42.6320 -42.6320 -4.0687 -4.0687 -4.0685 -4.0685 -3.1419 -3.1419 -3.1419 -3.1419 1.7491 1.7491 1.7491 1.7491 2.8606 2.8606 2.8607 2.8607 4.6408 4.6408 4.6409 4.6409 4.7039 4.7039 4.7039 4.7039 k = 0.0882 0.3859 0.2228 ( 3516 PWs) bands (ev): -49.0104 -49.0104 -49.0104 -49.0104 -42.6322 -42.6322 -42.6321 -42.6321 -4.0732 -4.0732 -4.0730 -4.0730 -3.1434 -3.1434 -3.1434 -3.1434 1.7334 1.7334 1.7334 1.7334 2.8456 2.8456 2.8457 2.8457 4.6424 4.6424 4.6425 4.6425 4.7565 4.7565 4.7566 4.7566 k = 0.0784 0.3859 0.2228 ( 3508 PWs) bands (ev): -49.0104 -49.0104 -49.0104 -49.0104 -42.6323 -42.6323 -42.6323 -42.6323 -4.0773 -4.0773 -4.0771 -4.0771 -3.1447 -3.1447 -3.1447 -3.1447 1.7193 1.7193 1.7193 1.7193 2.8321 2.8321 2.8321 2.8321 4.6441 4.6441 4.6442 4.6442 4.8059 4.8059 4.8059 4.8059 k = 0.0686 0.3859 0.2228 ( 3500 PWs) bands (ev): -49.0103 -49.0103 -49.0103 -49.0103 -42.6324 -42.6324 -42.6324 -42.6324 -4.0809 -4.0809 -4.0807 -4.0807 -3.1459 -3.1459 -3.1459 -3.1459 1.7067 1.7067 1.7068 1.7068 2.8200 2.8200 2.8201 2.8201 4.6457 4.6457 4.6458 4.6458 4.8514 4.8514 4.8514 4.8514 k = 0.0588 0.3859 0.2228 ( 3500 PWs) bands (ev): -49.0102 -49.0102 -49.0102 -49.0102 -42.6325 -42.6325 -42.6325 -42.6325 -4.0841 -4.0841 -4.0839 -4.0839 -3.1470 -3.1470 -3.1470 -3.1470 1.6958 1.6958 1.6958 1.6958 2.8095 2.8095 2.8096 2.8096 4.6472 4.6472 4.6473 4.6473 4.8924 4.8924 4.8925 4.8925 k = 0.0490 0.3859 0.2228 ( 3500 PWs) bands (ev): -49.0102 -49.0102 -49.0102 -49.0102 -42.6326 -42.6326 -42.6326 -42.6326 -4.0868 -4.0868 -4.0866 -4.0866 -3.1479 -3.1479 -3.1479 -3.1479 1.6865 1.6865 1.6866 1.6866 2.8005 2.8005 2.8006 2.8006 4.6486 4.6486 4.6487 4.6487 4.9284 4.9284 4.9285 4.9285 k = 0.0392 0.3859 0.2228 ( 3516 PWs) bands (ev): -49.0101 -49.0101 -49.0101 -49.0101 -42.6327 -42.6327 -42.6327 -42.6327 -4.0890 -4.0890 -4.0889 -4.0889 -3.1486 -3.1486 -3.1486 -3.1486 1.6789 1.6789 1.6789 1.6789 2.7931 2.7931 2.7932 2.7932 4.6498 4.6498 4.6499 4.6499 4.9588 4.9588 4.9588 4.9588 k = 0.0294 0.3859 0.2228 ( 3508 PWs) bands (ev): -49.0101 -49.0101 -49.0101 -49.0101 -42.6327 -42.6327 -42.6327 -42.6327 -4.0908 -4.0908 -4.0906 -4.0906 -3.1492 -3.1492 -3.1492 -3.1492 1.6730 1.6730 1.6730 1.6730 2.7874 2.7874 2.7875 2.7875 4.6508 4.6508 4.6509 4.6509 4.9830 4.9830 4.9831 4.9831 k = 0.0196 0.3859 0.2228 ( 3508 PWs) bands (ev): -49.0101 -49.0101 -49.0101 -49.0101 -42.6328 -42.6328 -42.6328 -42.6328 -4.0920 -4.0920 -4.0918 -4.0918 -3.1496 -3.1496 -3.1496 -3.1496 1.6687 1.6687 1.6687 1.6687 2.7833 2.7833 2.7833 2.7833 4.6515 4.6515 4.6516 4.6516 5.0007 5.0007 5.0007 5.0007 k = 0.0098 0.3859 0.2228 ( 3500 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.0928 -4.0928 -4.0926 -4.0926 -3.1499 -3.1499 -3.1499 -3.1499 1.6662 1.6662 1.6662 1.6662 2.7808 2.7808 2.7808 2.7808 4.6520 4.6520 4.6520 4.6520 5.0114 5.0114 5.0114 5.0114 k = 0.0000 0.3859 0.2228 ( 3516 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.0930 -4.0930 -4.0928 -4.0928 -3.1500 -3.1500 -3.1500 -3.1500 1.6653 1.6653 1.6653 1.6653 2.7800 2.7800 2.7800 2.7800 4.6521 4.6521 4.6522 4.6522 5.0150 5.0150 5.0150 5.0150 k = 0.0000 0.3859 0.2228 ( 3516 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.0930 -4.0930 -4.0928 -4.0928 -3.1500 -3.1500 -3.1500 -3.1500 1.6653 1.6653 1.6653 1.6653 2.7800 2.7800 2.7800 2.7800 4.6521 4.6521 4.6522 4.6522 5.0150 5.0150 5.0150 5.0150 k = 0.0000 0.3763 0.2228 ( 3504 PWs) bands (ev): -49.0120 -49.0120 -49.0080 -49.0080 -42.6352 -42.6352 -42.6304 -42.6304 -4.1316 -4.1316 -4.0535 -4.0535 -3.2093 -3.2093 -3.0890 -3.0890 1.5752 1.5752 1.7573 1.7573 2.6821 2.6821 2.8799 2.8799 4.6216 4.6216 4.6816 4.6816 4.9679 4.9679 5.0625 5.0625 k = 0.0000 0.3666 0.2228 ( 3500 PWs) bands (ev): -49.0140 -49.0140 -49.0060 -49.0060 -42.6375 -42.6375 -42.6281 -42.6281 -4.1695 -4.1695 -4.0133 -4.0133 -3.2669 -3.2669 -3.0263 -3.0263 1.4870 1.4870 1.8510 1.8510 2.5865 2.5865 2.9818 2.9818 4.5899 4.5899 4.7101 4.7101 4.9207 4.9207 5.1103 5.1103 k = 0.0000 0.3570 0.2228 ( 3504 PWs) bands (ev): -49.0160 -49.0160 -49.0040 -49.0040 -42.6399 -42.6399 -42.6258 -42.6258 -4.2066 -4.2066 -3.9724 -3.9724 -3.3229 -3.3229 -2.9619 -2.9619 1.4006 1.4006 1.9465 1.9465 2.4930 2.4930 3.0856 3.0856 4.5571 4.5571 4.7377 4.7377 4.8735 4.8735 5.1586 5.1586 k = 0.0000 0.3473 0.2228 ( 3502 PWs) bands (ev): -49.0180 -49.0180 -49.0020 -49.0020 -42.6422 -42.6422 -42.6234 -42.6234 -4.2428 -4.2428 -3.9308 -3.9308 -3.3773 -3.3773 -2.8959 -2.8959 1.3163 1.3163 2.0436 2.0436 2.4017 2.4017 3.1912 3.1912 4.5229 4.5229 4.7645 4.7645 4.8258 4.8258 5.2077 5.2077 k = 0.0000 0.3377 0.2228 ( 3512 PWs) bands (ev): -49.0200 -49.0200 -49.0001 -49.0001 -42.6445 -42.6445 -42.6211 -42.6211 -4.2782 -4.2782 -3.8886 -3.8886 -3.4300 -3.4300 -2.8281 -2.8281 1.2340 1.2340 2.1422 2.1422 2.3128 2.3128 3.2982 3.2982 4.4875 4.4875 4.7773 4.7773 4.7906 4.7906 5.2574 5.2574 k = 0.0000 0.3280 0.2228 ( 3504 PWs) bands (ev): -49.0220 -49.0220 -48.9981 -48.9981 -42.6468 -42.6468 -42.6188 -42.6188 -4.3127 -4.3127 -3.8458 -3.8458 -3.4811 -3.4811 -2.7585 -2.7585 1.1537 1.1537 2.2262 2.2262 2.2424 2.2424 3.4065 3.4065 4.4509 4.4509 4.7278 4.7278 4.8160 4.8160 5.3079 5.3079 k = 0.0000 0.3184 0.2228 ( 3508 PWs) bands (ev): -49.0239 -49.0239 -48.9962 -48.9962 -42.6491 -42.6491 -42.6165 -42.6165 -4.3463 -4.3463 -3.8024 -3.8024 -3.5307 -3.5307 -2.6872 -2.6872 1.0755 1.0755 2.1419 2.1419 2.3439 2.3439 3.5156 3.5156 4.4134 4.4134 4.6767 4.6767 4.8409 4.8409 5.3593 5.3593 k = 0.0000 0.3087 0.2228 ( 3508 PWs) bands (ev): -49.0258 -49.0258 -48.9942 -48.9942 -42.6513 -42.6513 -42.6143 -42.6143 -4.3791 -4.3791 -3.7585 -3.7585 -3.5786 -3.5786 -2.6141 -2.6141 0.9995 0.9995 2.0601 2.0601 2.4467 2.4467 3.6245 3.6245 4.3757 4.3757 4.6234 4.6234 4.8652 4.8652 5.4116 5.4116 k = 0.0000 0.2991 0.2228 ( 3504 PWs) bands (ev): -49.0277 -49.0277 -48.9923 -48.9923 -42.6536 -42.6536 -42.6121 -42.6121 -4.4109 -4.4109 -3.7141 -3.7141 -3.6249 -3.6249 -2.5393 -2.5393 0.9256 0.9256 1.9806 1.9806 2.5508 2.5508 3.7316 3.7316 4.3393 4.3393 4.5675 4.5675 4.8890 4.8890 5.4649 5.4649 k = 0.0000 0.2894 0.2228 ( 3506 PWs) bands (ev): -49.0296 -49.0296 -48.9905 -48.9905 -42.6558 -42.6558 -42.6099 -42.6099 -4.4418 -4.4418 -3.6697 -3.6697 -3.6693 -3.6693 -2.4626 -2.4626 0.8538 0.8538 1.9036 1.9036 2.6559 2.6559 3.8335 3.8335 4.3074 4.3074 4.5081 4.5081 4.9123 4.9123 5.5191 5.5191 k = 0.0000 0.2798 0.2228 ( 3512 PWs) bands (ev): -49.0314 -49.0314 -48.9886 -48.9886 -42.6579 -42.6579 -42.6077 -42.6077 -4.4718 -4.4718 -3.7130 -3.7130 -3.6242 -3.6242 -2.3842 -2.3842 0.7843 0.7843 1.8290 1.8290 2.7619 2.7619 3.9215 3.9215 4.2884 4.2884 4.4445 4.4445 4.9352 4.9352 5.5742 5.5742 k = 0.0000 0.2701 0.2228 ( 3504 PWs) bands (ev): -49.0332 -49.0332 -48.9868 -48.9868 -42.6600 -42.6600 -42.6056 -42.6056 -4.5008 -4.5008 -3.7546 -3.7546 -3.5787 -3.5787 -2.3039 -2.3039 0.7170 0.7170 1.7568 1.7568 2.8687 2.8687 3.9783 3.9783 4.2996 4.2996 4.3758 4.3758 4.9577 4.9577 5.6304 5.6304 k = 0.0000 0.2605 0.2228 ( 3508 PWs) bands (ev): -49.0350 -49.0350 -48.9850 -48.9850 -42.6621 -42.6621 -42.6035 -42.6035 -4.5289 -4.5289 -3.7948 -3.7948 -3.5331 -3.5331 -2.2218 -2.2218 0.6519 0.6519 1.6871 1.6871 2.9761 2.9761 3.9891 3.9891 4.3011 4.3011 4.3556 4.3556 4.9798 4.9798 5.6875 5.6875 k = 0.0000 0.2508 0.2228 ( 3504 PWs) bands (ev): -49.0367 -49.0367 -48.9833 -48.9833 -42.6642 -42.6642 -42.6015 -42.6015 -4.5560 -4.5560 -3.8334 -3.8334 -3.4873 -3.4873 -2.1379 -2.1379 0.5890 0.5890 1.6199 1.6199 3.0839 3.0839 3.9646 3.9646 4.2197 4.2197 4.4458 4.4458 5.0015 5.0015 5.7455 5.7455 k = 0.0000 0.2412 0.2228 ( 3506 PWs) bands (ev): -49.0384 -49.0384 -48.9816 -48.9816 -42.6661 -42.6661 -42.5995 -42.5995 -4.5822 -4.5822 -3.8705 -3.8705 -3.4414 -3.4414 -2.0521 -2.0521 0.5285 0.5285 1.5552 1.5552 3.1918 3.1918 3.9218 3.9218 4.1311 4.1311 4.5527 4.5527 5.0228 5.0228 5.6441 5.6441 k = 0.0000 0.2316 0.2228 ( 3508 PWs) bands (ev): -49.0401 -49.0401 -48.9800 -48.9800 -42.6681 -42.6681 -42.5976 -42.5976 -4.6074 -4.6074 -3.9060 -3.9060 -3.3956 -3.3956 -1.9644 -1.9644 0.4702 0.4702 1.4930 1.4930 3.2993 3.2993 3.8698 3.8698 4.0350 4.0350 4.6673 4.6673 5.0436 5.0436 5.5390 5.5390 k = 0.0000 0.2219 0.2228 ( 3504 PWs) bands (ev): -49.0417 -49.0417 -48.9784 -48.9784 -42.6700 -42.6700 -42.5957 -42.5957 -4.6315 -4.6315 -3.9401 -3.9401 -3.3499 -3.3499 -1.8749 -1.8749 0.4143 0.4143 1.4333 1.4333 3.4055 3.4055 3.8124 3.8124 3.9322 3.9322 4.7857 4.7857 5.0640 5.0640 5.4444 5.4444 k = 0.0000 0.2123 0.2228 ( 3498 PWs) bands (ev): -49.0432 -49.0432 -48.9768 -48.9768 -42.6718 -42.6718 -42.5939 -42.5939 -4.6547 -4.6547 -3.9727 -3.9727 -3.3045 -3.3045 -1.7835 -1.7835 0.3606 0.3606 1.3761 1.3761 3.5077 3.5077 3.7515 3.7515 3.8256 3.8256 4.9057 4.9057 5.0839 5.0839 5.3599 5.3599 k = 0.0000 0.2026 0.2228 ( 3498 PWs) bands (ev): -49.0447 -49.0447 -48.9753 -48.9753 -42.6735 -42.6735 -42.5921 -42.5921 -4.6770 -4.6770 -4.0037 -4.0037 -3.2593 -3.2593 -1.6901 -1.6901 0.3093 0.3093 1.3214 1.3214 3.5858 3.5858 3.6884 3.6884 3.7353 3.7353 5.0259 5.0259 5.1034 5.1034 5.2852 5.2852 k = 0.0000 0.1930 0.2228 ( 3506 PWs) bands (ev): -49.0462 -49.0462 -48.9739 -48.9739 -42.6752 -42.6752 -42.5904 -42.5904 -4.6982 -4.6982 -4.0333 -4.0333 -3.2147 -3.2147 -1.5949 -1.5949 0.2603 0.2603 1.2692 1.2692 3.5391 3.5391 3.6237 3.6237 3.7626 3.7626 5.1223 5.1223 5.1451 5.1451 5.2194 5.2194 k = 0.0000 0.1833 0.2228 ( 3514 PWs) bands (ev): -49.0476 -49.0476 -48.9725 -48.9725 -42.6769 -42.6769 -42.5888 -42.5888 -4.7184 -4.7184 -4.0614 -4.0614 -3.1707 -3.1707 -1.4978 -1.4978 0.2137 0.2137 1.2196 1.2196 3.4196 3.4196 3.5581 3.5581 3.8563 3.8563 5.1406 5.1406 5.1617 5.1617 5.2620 5.2620 k = 0.0000 0.1737 0.2228 ( 3518 PWs) bands (ev): -49.0489 -49.0489 -48.9711 -48.9711 -42.6785 -42.6785 -42.5873 -42.5873 -4.7376 -4.7376 -4.0881 -4.0881 -3.1274 -3.1274 -1.3988 -1.3988 0.1694 0.1694 1.1725 1.1725 3.2870 3.2870 3.4923 3.4923 3.9572 3.9572 5.1112 5.1112 5.1584 5.1584 5.3751 5.3751 k = 0.0000 0.1640 0.2228 ( 3518 PWs) bands (ev): -49.0502 -49.0502 -48.9698 -48.9698 -42.6799 -42.6799 -42.5858 -42.5858 -4.7558 -4.7558 -4.1133 -4.1133 -3.0850 -3.0850 -1.2978 -1.2978 0.1275 0.1275 1.1279 1.1279 3.1488 3.1488 3.4266 3.4266 4.0584 4.0584 5.0669 5.0669 5.1755 5.1755 5.4825 5.4825 k = 0.0000 0.1544 0.2228 ( 3518 PWs) bands (ev): -49.0514 -49.0514 -48.9686 -48.9686 -42.6814 -42.6814 -42.5843 -42.5843 -4.7729 -4.7729 -4.1370 -4.1370 -3.0437 -3.0437 -1.1949 -1.1949 0.0879 0.0879 1.0859 1.0859 3.0070 3.0070 3.3616 3.3616 4.1583 4.1583 5.0282 5.0282 5.1919 5.1919 5.5819 5.5819 k = 0.0000 0.1447 0.2228 ( 3522 PWs) bands (ev): -49.0525 -49.0525 -48.9675 -48.9675 -42.6827 -42.6827 -42.5830 -42.5830 -4.7891 -4.7891 -4.1592 -4.1592 -3.0035 -3.0035 -1.0901 -1.0901 0.0507 0.0507 1.0464 1.0464 2.8629 2.8629 3.2978 3.2978 4.2560 4.2560 4.9943 4.9943 5.2077 5.2077 5.6708 5.6708 k = 0.0000 0.1351 0.2228 ( 3518 PWs) bands (ev): -49.0536 -49.0536 -48.9664 -48.9664 -42.6840 -42.6840 -42.5817 -42.5817 -4.8042 -4.8042 -4.1800 -4.1800 -2.9648 -2.9648 -0.9833 -0.9833 0.0159 0.0159 1.0094 1.0094 2.7172 2.7172 3.2356 3.2356 4.3509 4.3509 4.9647 4.9647 5.2226 5.2226 5.7466 5.7466 k = 0.0000 0.1254 0.2228 ( 3514 PWs) bands (ev): -49.0546 -49.0546 -48.9654 -48.9654 -42.6852 -42.6852 -42.5805 -42.5805 -4.8183 -4.8183 -4.1993 -4.1993 -2.9275 -2.9275 -0.8746 -0.8746 -0.0165 -0.0165 0.9750 0.9750 2.5705 2.5705 3.1755 3.1755 4.4423 4.4423 4.9389 4.9389 5.2368 5.2368 5.8077 5.8077 k = 0.0000 0.1158 0.2228 ( 3518 PWs) bands (ev): -49.0556 -49.0556 -48.9644 -48.9644 -42.6863 -42.6863 -42.5794 -42.5794 -4.8314 -4.8314 -4.2172 -4.2172 -2.8921 -2.8921 -0.7640 -0.7640 -0.0465 -0.0465 0.9431 0.9431 2.4233 2.4233 3.1179 3.1179 4.5296 4.5296 4.9168 4.9168 5.2501 5.2501 5.8542 5.8542 k = 0.0000 0.1061 0.2228 ( 3524 PWs) bands (ev): -49.0564 -49.0564 -48.9636 -48.9636 -42.6873 -42.6873 -42.5784 -42.5784 -4.8434 -4.8434 -4.2337 -4.2337 -2.8586 -2.8586 -0.6514 -0.6514 -0.0742 -0.0742 0.9138 0.9138 2.2761 2.2761 3.0632 3.0632 4.6118 4.6118 4.8983 4.8983 5.2625 5.2625 5.8876 5.8876 k = 0.0000 0.0965 0.2228 ( 3528 PWs) bands (ev): -49.0573 -49.0573 -48.9628 -48.9628 -42.6883 -42.6883 -42.5775 -42.5775 -4.8544 -4.8544 -4.2487 -4.2487 -2.8271 -2.8271 -0.5369 -0.5369 -0.0994 -0.0994 0.8870 0.8870 2.1291 2.1291 3.0119 3.0119 4.6874 4.6874 4.8841 4.8841 5.2740 5.2740 5.9105 5.9105 k = 0.0000 0.0868 0.2228 ( 3524 PWs) bands (ev): -49.0580 -49.0580 -48.9620 -48.9620 -42.6891 -42.6891 -42.5766 -42.5766 -4.8643 -4.8643 -4.2623 -4.2623 -2.7980 -2.7980 -0.4205 -0.4205 -0.1223 -0.1223 0.8628 0.8628 1.9827 1.9827 2.9642 2.9642 4.7526 4.7526 4.8772 4.8772 5.2845 5.2845 5.9258 5.9258 k = 0.0000 0.0772 0.2228 ( 3516 PWs) bands (ev): -49.0586 -49.0586 -48.9614 -48.9614 -42.6899 -42.6899 -42.5758 -42.5758 -4.8732 -4.8732 -4.2744 -4.2744 -2.7713 -2.7713 -0.3022 -0.3022 -0.1427 -0.1427 0.8411 0.8411 1.8370 1.8370 2.9205 2.9205 4.7962 4.7962 4.8882 4.8882 5.2940 5.2940 5.9356 5.9356 k = 0.0000 0.0675 0.2228 ( 3520 PWs) bands (ev): -49.0592 -49.0592 -48.9608 -48.9608 -42.6906 -42.6906 -42.5752 -42.5752 -4.8811 -4.8811 -4.2851 -4.2851 -2.7474 -2.7474 -0.1820 -0.1820 -0.1608 -0.1608 0.8220 0.8220 1.6924 1.6924 2.8811 2.8811 4.8091 4.8091 4.9254 4.9254 5.3025 5.3025 5.9418 5.9418 k = 0.0000 0.0579 0.2228 ( 3512 PWs) bands (ev): -49.0597 -49.0597 -48.9603 -48.9603 -42.6912 -42.6912 -42.5746 -42.5746 -4.8879 -4.8879 -4.2944 -4.2944 -2.7262 -2.7262 -0.1764 -0.1764 -0.0599 -0.0599 0.8054 0.8054 1.5489 1.5489 2.8464 2.8464 4.8077 4.8077 4.9717 4.9717 5.3099 5.3099 5.9455 5.9455 k = 0.0000 0.0482 0.2228 ( 3510 PWs) bands (ev): -49.0602 -49.0602 -48.9598 -48.9598 -42.6917 -42.6917 -42.5741 -42.5741 -4.8937 -4.8937 -4.3023 -4.3023 -2.7080 -2.7080 -0.1896 -0.1896 0.0639 0.0639 0.7914 0.7914 1.4067 1.4067 2.8166 2.8166 4.8031 4.8031 5.0153 5.0153 5.3162 5.3162 5.9477 5.9477 k = 0.0000 0.0386 0.2228 ( 3510 PWs) bands (ev): -49.0605 -49.0605 -48.9595 -48.9595 -42.6921 -42.6921 -42.5737 -42.5737 -4.8984 -4.8984 -4.3087 -4.3087 -2.6929 -2.6929 -0.2005 -0.2005 0.1894 0.1894 0.7799 0.7799 1.2660 1.2660 2.7919 2.7919 4.7984 4.7984 5.0528 5.0528 5.3214 5.3214 5.9489 5.9489 k = 0.0000 0.0289 0.2228 ( 3514 PWs) bands (ev): -49.0608 -49.0608 -48.9592 -48.9592 -42.6924 -42.6924 -42.5733 -42.5733 -4.9021 -4.9021 -4.3137 -4.3137 -2.6810 -2.6810 -0.2089 -0.2089 0.3165 0.3165 0.7710 0.7710 1.1270 1.1270 2.7724 2.7724 4.7944 4.7944 5.0828 5.0828 5.3254 5.3254 5.9495 5.9495 k = 0.0000 0.0193 0.2228 ( 3516 PWs) bands (ev): -49.0610 -49.0610 -48.9590 -48.9590 -42.6927 -42.6927 -42.5731 -42.5731 -4.9047 -4.9047 -4.3172 -4.3172 -2.6725 -2.6725 -0.2149 -0.2149 0.4446 0.4446 0.7646 0.7646 0.9904 0.9904 2.7584 2.7584 4.7915 4.7915 5.1046 5.1046 5.3284 5.3284 5.9497 5.9497 k = 0.0000 0.0096 0.2228 ( 3528 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6928 -42.6928 -42.5730 -42.5730 -4.9063 -4.9063 -4.3194 -4.3194 -2.6673 -2.6673 -0.2185 -0.2185 0.5716 0.5716 0.7608 0.7608 0.8584 0.8584 2.7500 2.7500 4.7897 4.7897 5.1179 5.1179 5.3301 5.3301 5.9498 5.9498 k = 0.0000 0.0000 0.2228 ( 3534 PWs) bands (ev): -49.0611 -49.0611 -48.9589 -48.9589 -42.6929 -42.6929 -42.5729 -42.5729 -4.9068 -4.9068 -4.3201 -4.3201 -2.6656 -2.6656 -0.2197 -0.2197 0.6633 0.6633 0.7595 0.7595 0.7649 0.7649 2.7472 2.7472 4.7891 4.7891 5.1223 5.1223 5.3307 5.3307 5.9498 5.9498 k = 0.0000 0.3859-0.0000 ( 3498 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1746 -4.1746 -4.1745 -4.1745 -2.9619 -2.9619 -2.9619 -2.9619 0.8728 0.8728 0.8728 0.8728 3.8657 3.8657 3.8658 3.8658 4.6191 4.6191 4.6191 4.6191 5.0408 5.0408 5.0409 5.0409 k = 0.0000 0.3859 0.0097 ( 3498 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1743 -4.1743 -4.1741 -4.1741 -2.9627 -2.9627 -2.9627 -2.9627 0.8754 0.8754 0.8754 0.8754 3.8614 3.8614 3.8615 3.8615 4.6192 4.6192 4.6193 4.6193 5.0407 5.0407 5.0408 5.0408 k = 0.0000 0.3859 0.0194 ( 3502 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1733 -4.1733 -4.1731 -4.1731 -2.9653 -2.9653 -2.9653 -2.9653 0.8831 0.8831 0.8831 0.8831 3.8487 3.8487 3.8488 3.8488 4.6197 4.6197 4.6198 4.6198 5.0405 5.0405 5.0405 5.0405 k = 0.0000 0.3859 0.0291 ( 3502 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1717 -4.1717 -4.1715 -4.1715 -2.9695 -2.9695 -2.9695 -2.9695 0.8960 0.8960 0.8960 0.8960 3.8277 3.8277 3.8278 3.8278 4.6205 4.6205 4.6206 4.6206 5.0401 5.0401 5.0402 5.0402 k = 0.0000 0.3859 0.0388 ( 3506 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1694 -4.1694 -4.1692 -4.1692 -2.9754 -2.9754 -2.9754 -2.9754 0.9139 0.9139 0.9139 0.9139 3.7989 3.7989 3.7989 3.7989 4.6216 4.6216 4.6217 4.6217 5.0395 5.0395 5.0396 5.0396 k = 0.0000 0.3859 0.0484 ( 3492 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1665 -4.1665 -4.1663 -4.1663 -2.9827 -2.9827 -2.9827 -2.9827 0.9366 0.9366 0.9367 0.9367 3.7626 3.7626 3.7627 3.7627 4.6230 4.6230 4.6231 4.6231 5.0387 5.0387 5.0388 5.0388 k = 0.0000 0.3859 0.0581 ( 3488 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1631 -4.1631 -4.1629 -4.1629 -2.9913 -2.9913 -2.9913 -2.9913 0.9640 0.9640 0.9641 0.9641 3.7195 3.7195 3.7196 3.7196 4.6245 4.6245 4.6246 4.6246 5.0378 5.0378 5.0379 5.0379 k = 0.0000 0.3859 0.0678 ( 3496 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1591 -4.1591 -4.1589 -4.1589 -3.0012 -3.0012 -3.0011 -3.0011 0.9959 0.9959 0.9960 0.9960 3.6702 3.6702 3.6703 3.6703 4.6263 4.6263 4.6264 4.6264 5.0367 5.0367 5.0368 5.0368 k = 0.0000 0.3859 0.0775 ( 3490 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1547 -4.1547 -4.1545 -4.1545 -3.0120 -3.0120 -3.0120 -3.0120 1.0320 1.0320 1.0321 1.0321 3.6154 3.6154 3.6155 3.6155 4.6282 4.6282 4.6283 4.6283 5.0354 5.0354 5.0355 5.0355 k = 0.0000 0.3859 0.0872 ( 3494 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1499 -4.1499 -4.1497 -4.1497 -3.0236 -3.0236 -3.0236 -3.0236 1.0720 1.0720 1.0721 1.0721 3.5559 3.5559 3.5559 3.5559 4.6303 4.6303 4.6304 4.6304 5.0339 5.0339 5.0340 5.0340 k = 0.0000 0.3859 0.0969 ( 3494 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1447 -4.1447 -4.1446 -4.1446 -3.0359 -3.0359 -3.0359 -3.0359 1.1156 1.1156 1.1157 1.1157 3.4923 3.4923 3.4924 3.4924 4.6324 4.6324 4.6325 4.6325 5.0323 5.0323 5.0324 5.0324 k = 0.0000 0.3859 0.1066 ( 3496 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1394 -4.1394 -4.1392 -4.1392 -3.0485 -3.0485 -3.0485 -3.0485 1.1623 1.1623 1.1624 1.1624 3.4255 3.4255 3.4256 3.4256 4.6346 4.6346 4.6347 4.6347 5.0306 5.0306 5.0307 5.0307 k = 0.0000 0.3859 0.1163 ( 3500 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1338 -4.1338 -4.1337 -4.1337 -3.0613 -3.0613 -3.0613 -3.0613 1.2117 1.2117 1.2118 1.2118 3.3564 3.3564 3.3565 3.3565 4.6368 4.6368 4.6369 4.6369 5.0288 5.0288 5.0289 5.0289 k = 0.0000 0.3859 0.1259 ( 3508 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1283 -4.1283 -4.1281 -4.1281 -3.0740 -3.0740 -3.0740 -3.0740 1.2633 1.2633 1.2634 1.2634 3.2858 3.2858 3.2858 3.2858 4.6390 4.6390 4.6391 4.6391 5.0270 5.0270 5.0271 5.0271 k = 0.0000 0.3859 0.1356 ( 3512 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1227 -4.1227 -4.1226 -4.1226 -3.0864 -3.0864 -3.0864 -3.0864 1.3164 1.3164 1.3165 1.3165 3.2146 3.2146 3.2147 3.2147 4.6411 4.6411 4.6412 4.6412 5.0251 5.0251 5.0252 5.0252 k = 0.0000 0.3859 0.1453 ( 3508 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1174 -4.1174 -4.1172 -4.1172 -3.0983 -3.0983 -3.0982 -3.0982 1.3703 1.3703 1.3704 1.3704 3.1439 3.1439 3.1440 3.1440 4.6432 4.6432 4.6433 4.6433 5.0233 5.0233 5.0234 5.0234 k = 0.0000 0.3859 0.1550 ( 3502 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1123 -4.1123 -4.1121 -4.1121 -3.1093 -3.1093 -3.1093 -3.1093 1.4240 1.4240 1.4241 1.4241 3.0748 3.0748 3.0749 3.0749 4.6451 4.6451 4.6452 4.6452 5.0216 5.0216 5.0217 5.0217 k = 0.0000 0.3859 0.1647 ( 3510 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1076 -4.1076 -4.1074 -4.1074 -3.1194 -3.1194 -3.1194 -3.1194 1.4763 1.4763 1.4764 1.4764 3.0087 3.0087 3.0088 3.0088 4.6468 4.6468 4.6469 4.6469 5.0200 5.0200 5.0201 5.0201 k = 0.0000 0.3859 0.1744 ( 3508 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.1034 -4.1034 -4.1032 -4.1032 -3.1284 -3.1284 -3.1283 -3.1283 1.5260 1.5260 1.5260 1.5260 2.9472 2.9472 2.9473 2.9473 4.6484 4.6484 4.6484 4.6484 5.0185 5.0185 5.0186 5.0186 k = 0.0000 0.3859 0.1841 ( 3504 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.0998 -4.0998 -4.0996 -4.0996 -3.1359 -3.1359 -3.1359 -3.1359 1.5711 1.5711 1.5712 1.5712 2.8921 2.8921 2.8922 2.8922 4.6497 4.6497 4.6498 4.6498 5.0173 5.0173 5.0174 5.0174 k = 0.0000 0.3859 0.1938 ( 3512 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.0969 -4.0969 -4.0967 -4.0967 -3.1420 -3.1420 -3.1419 -3.1419 1.6098 1.6098 1.6099 1.6099 2.8456 2.8456 2.8457 2.8457 4.6507 4.6507 4.6508 4.6508 5.0163 5.0163 5.0164 5.0164 k = 0.0000 0.3859 0.2034 ( 3506 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.0948 -4.0948 -4.0946 -4.0946 -3.1464 -3.1464 -3.1464 -3.1464 1.6397 1.6397 1.6398 1.6398 2.8101 2.8101 2.8102 2.8102 4.6515 4.6515 4.6516 4.6516 5.0156 5.0156 5.0156 5.0156 k = 0.0000 0.3859 0.2131 ( 3506 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.0935 -4.0935 -4.0933 -4.0933 -3.1491 -3.1491 -3.1491 -3.1491 1.6588 1.6588 1.6588 1.6588 2.7876 2.7876 2.7877 2.7877 4.6520 4.6520 4.6520 4.6520 5.0152 5.0152 5.0152 5.0152 k = 0.0000 0.3859 0.2228 ( 3516 PWs) bands (ev): -49.0100 -49.0100 -49.0100 -49.0100 -42.6328 -42.6328 -42.6328 -42.6328 -4.0930 -4.0930 -4.0928 -4.0928 -3.1500 -3.1500 -3.1500 -3.1500 1.6653 1.6653 1.6653 1.6653 2.7800 2.7800 2.7800 2.7800 4.6521 4.6521 4.6522 4.6522 5.0150 5.0150 5.0150 5.0150 k = 0.5000-0.0000 0.2228 ( 3472 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7012 -42.7012 -42.5467 -42.5467 -4.6999 -4.6999 -4.0789 -4.0789 -1.4239 -1.4239 -0.8621 -0.8621 0.5299 0.5299 1.1800 1.1800 2.5786 2.5786 2.6867 2.6867 3.3561 3.3561 3.5415 3.5415 5.3623 5.3623 6.1170 6.1170 k = 0.5000-0.0000 0.2131 ( 3484 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.6999 -4.6999 -4.0789 -4.0789 -1.4239 -1.4239 -0.8618 -0.8618 0.5309 0.5309 1.1798 1.1798 2.5762 2.5762 2.6867 2.6867 3.3560 3.3560 3.5401 3.5401 5.3637 5.3637 6.1162 6.1162 k = 0.5000-0.0000 0.2034 ( 3482 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7012 -42.7012 -42.5467 -42.5467 -4.7000 -4.7000 -4.0790 -4.0790 -1.4239 -1.4239 -0.8609 -0.8609 0.5337 0.5337 1.1792 1.1792 2.5691 2.5691 2.6868 2.6868 3.3558 3.3558 3.5361 3.5361 5.3677 5.3677 6.1137 6.1137 k = 0.5000-0.0000 0.1938 ( 3484 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7012 -42.7012 -42.5467 -42.5467 -4.7001 -4.7001 -4.0791 -4.0791 -1.4240 -1.4240 -0.8594 -0.8594 0.5383 0.5383 1.1782 1.1782 2.5574 2.5574 2.6870 2.6870 3.3554 3.3554 3.5295 3.5295 5.3742 5.3742 6.1096 6.1096 k = 0.5000-0.0000 0.1841 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7002 -4.7002 -4.0792 -4.0792 -1.4240 -1.4240 -0.8574 -0.8574 0.5447 0.5447 1.1769 1.1769 2.5413 2.5413 2.6873 2.6873 3.3549 3.3549 3.5206 3.5206 5.3832 5.3832 6.1041 6.1041 k = 0.5000-0.0000 0.1744 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7003 -4.7003 -4.0794 -4.0794 -1.4241 -1.4241 -0.8549 -0.8549 0.5529 0.5529 1.1752 1.1752 2.5211 2.5211 2.6877 2.6877 3.3542 3.3542 3.5094 3.5094 5.3944 5.3944 6.0971 6.0971 k = 0.5000-0.0000 0.1647 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7005 -4.7005 -4.0796 -4.0796 -1.4242 -1.4242 -0.8519 -0.8519 0.5627 0.5627 1.1731 1.1731 2.4973 2.4973 2.6882 2.6882 3.3535 3.3535 3.4963 3.4963 5.4075 5.4075 6.0889 6.0889 k = 0.5000-0.0000 0.1550 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7007 -4.7007 -4.0799 -4.0799 -1.4243 -1.4243 -0.8485 -0.8485 0.5741 0.5741 1.1708 1.1708 2.4703 2.4703 2.6887 2.6887 3.3526 3.3526 3.4817 3.4817 5.4223 5.4223 6.0796 6.0796 k = 0.5000-0.0000 0.1453 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7009 -4.7009 -4.0801 -4.0801 -1.4244 -1.4244 -0.8448 -0.8448 0.5869 0.5869 1.1682 1.1682 2.4405 2.4405 2.6892 2.6892 3.3516 3.3516 3.4657 3.4657 5.4384 5.4384 6.0693 6.0693 k = 0.5000-0.0000 0.1356 ( 3502 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7012 -4.7012 -4.0804 -4.0804 -1.4245 -1.4245 -0.8407 -0.8407 0.6010 0.6010 1.1654 1.1654 2.4085 2.4085 2.6898 2.6898 3.3506 3.3506 3.4489 3.4489 5.4556 5.4556 6.0582 6.0582 k = 0.5000-0.0000 0.1259 ( 3500 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7014 -4.7014 -4.0807 -4.0807 -1.4246 -1.4246 -0.8364 -0.8364 0.6162 0.6162 1.1624 1.1624 2.3748 2.3748 2.6904 2.6904 3.3495 3.3495 3.4314 3.4314 5.4736 5.4736 6.0465 6.0465 k = 0.5000-0.0000 0.1163 ( 3500 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7016 -4.7016 -4.0810 -4.0810 -1.4247 -1.4247 -0.8320 -0.8320 0.6323 0.6323 1.1593 1.1593 2.3401 2.3401 2.6911 2.6911 3.3484 3.3484 3.4138 3.4138 5.4921 5.4921 6.0342 6.0342 k = 0.5000-0.0000 0.1066 ( 3508 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7019 -4.7019 -4.0813 -4.0813 -1.4248 -1.4248 -0.8275 -0.8275 0.6491 0.6491 1.1561 1.1561 2.3048 2.3048 2.6917 2.6917 3.3473 3.3473 3.3962 3.3962 5.5109 5.5109 6.0216 6.0216 k = 0.5000-0.0000 0.0969 ( 3510 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7022 -4.7022 -4.0816 -4.0816 -1.4250 -1.4250 -0.8230 -0.8230 0.6663 0.6663 1.1529 1.1529 2.2696 2.2696 2.6923 2.6923 3.3462 3.3462 3.3791 3.3791 5.5296 5.5296 6.0089 6.0089 k = 0.5000-0.0000 0.0872 ( 3506 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7024 -4.7024 -4.0819 -4.0819 -1.4251 -1.4251 -0.8186 -0.8186 0.6836 0.6836 1.1498 1.1498 2.2351 2.2351 2.6930 2.6930 3.3451 3.3451 3.3627 3.3627 5.5480 5.5480 5.9961 5.9961 k = 0.5000-0.0000 0.0775 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7026 -4.7026 -4.0822 -4.0822 -1.4252 -1.4252 -0.8144 -0.8144 0.7007 0.7007 1.1468 1.1468 2.2019 2.2019 2.6936 2.6936 3.3441 3.3441 3.3473 3.3473 5.5659 5.5659 5.9834 5.9834 k = 0.5000-0.0000 0.0678 ( 3494 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7028 -4.7028 -4.0824 -4.0824 -1.4253 -1.4253 -0.8105 -0.8105 0.7172 0.7172 1.1440 1.1440 2.1706 2.1706 2.6941 2.6941 3.3331 3.3331 3.3432 3.3432 5.5829 5.5829 5.9711 5.9711 k = 0.5000-0.0000 0.0581 ( 3494 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7030 -4.7030 -4.0826 -4.0826 -1.4254 -1.4254 -0.8069 -0.8069 0.7327 0.7327 1.1413 1.1413 2.1419 2.1419 2.6946 2.6946 3.3204 3.3204 3.3423 3.3423 5.5988 5.5988 5.9593 5.9593 k = 0.5000-0.0000 0.0484 ( 3494 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7032 -4.7032 -4.0829 -4.0829 -1.4255 -1.4255 -0.8038 -0.8038 0.7468 0.7468 1.1390 1.1390 2.1163 2.1163 2.6951 2.6951 3.3093 3.3093 3.3416 3.3416 5.6133 5.6133 5.9484 5.9484 k = 0.5000-0.0000 0.0388 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7033 -4.7033 -4.0830 -4.0830 -1.4255 -1.4255 -0.8011 -0.8011 0.7590 0.7590 1.1371 1.1371 2.0944 2.0944 2.6954 2.6954 3.3000 3.3000 3.3409 3.3409 5.6261 5.6261 5.9387 5.9387 k = 0.5000-0.0000 0.0291 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7034 -4.7034 -4.0832 -4.0832 -1.4256 -1.4256 -0.7989 -0.7989 0.7690 0.7690 1.1355 1.1355 2.0767 2.0767 2.6957 2.6957 3.2926 3.2926 3.3404 3.3404 5.6366 5.6366 5.9305 5.9305 k = 0.5000-0.0000 0.0194 ( 3498 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7035 -4.7035 -4.0833 -4.0833 -1.4256 -1.4256 -0.7974 -0.7974 0.7765 0.7765 1.1343 1.1343 2.0638 2.0638 2.6959 2.6959 3.2873 3.2873 3.3400 3.3400 5.6445 5.6445 5.9243 5.9243 k = 0.5000-0.0000 0.0097 ( 3510 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7036 -4.7036 -4.0834 -4.0834 -1.4257 -1.4257 -0.7964 -0.7964 0.7811 0.7811 1.1336 1.1336 2.0558 2.0558 2.6961 2.6961 3.2841 3.2841 3.3398 3.3398 5.6494 5.6494 5.9204 5.9204 k = 0.5000-0.0000-0.0000 ( 3494 PWs) bands (ev): -49.0564 -49.0564 -48.9748 -48.9748 -42.7013 -42.7013 -42.5467 -42.5467 -4.7036 -4.7036 -4.0834 -4.0834 -1.4257 -1.4257 -0.7961 -0.7961 0.7826 0.7826 1.1334 1.1334 2.0532 2.0532 2.6961 2.6961 3.2830 3.2830 3.3397 3.3397 5.6511 5.6511 5.9190 5.9190 k = 0.5000 0.3859-0.0000 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8139 -3.8139 -3.8136 -3.8136 -3.0809 -3.0809 -3.0809 -3.0809 2.9127 2.9127 2.9127 2.9127 2.9411 2.9411 2.9411 2.9411 4.1535 4.1535 4.1535 4.1535 4.2655 4.2655 4.2656 4.2656 k = 0.5000 0.3859 0.0097 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8139 -3.8139 -3.8136 -3.8136 -3.0809 -3.0809 -3.0809 -3.0809 2.8898 2.8898 2.8900 2.8900 2.9644 2.9644 2.9645 2.9645 4.1339 4.1339 4.1340 4.1340 4.2865 4.2865 4.2866 4.2866 k = 0.5000 0.3859 0.0194 ( 3484 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8138 -3.8138 -3.8136 -3.8136 -3.0809 -3.0809 -3.0809 -3.0809 2.8577 2.8577 2.8578 2.8578 2.9982 2.9982 2.9984 2.9984 4.0945 4.0945 4.0947 4.0947 4.3299 4.3299 4.3300 4.3300 k = 0.5000 0.3859 0.0291 ( 3484 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8138 -3.8138 -3.8136 -3.8136 -3.0809 -3.0809 -3.0809 -3.0809 2.8255 2.8255 2.8256 2.8256 3.0332 3.0332 3.0334 3.0334 4.0509 4.0509 4.0511 4.0511 4.3803 4.3803 4.3803 4.3803 k = 0.5000 0.3859 0.0388 ( 3484 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8138 -3.8138 -3.8136 -3.8136 -3.0809 -3.0809 -3.0809 -3.0809 2.7940 2.7940 2.7941 2.7941 3.0685 3.0685 3.0687 3.0687 4.0070 4.0070 4.0071 4.0071 4.4335 4.4335 4.4336 4.4336 k = 0.5000 0.3859 0.0484 ( 3484 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8137 -3.8137 -3.8135 -3.8135 -3.0809 -3.0809 -3.0809 -3.0809 2.7635 2.7635 2.7636 2.7636 3.1039 3.1039 3.1041 3.1041 3.9640 3.9640 3.9642 3.9642 4.4883 4.4883 4.4884 4.4884 k = 0.5000 0.3859 0.0581 ( 3472 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8137 -3.8137 -3.8135 -3.8135 -3.0809 -3.0809 -3.0809 -3.0809 2.7340 2.7340 2.7341 2.7341 3.1390 3.1390 3.1393 3.1393 3.9225 3.9225 3.9227 3.9227 4.5439 4.5439 4.5440 4.5440 k = 0.5000 0.3859 0.0678 ( 3468 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6240 -42.6240 -42.6240 -42.6240 -3.8136 -3.8136 -3.8134 -3.8134 -3.0809 -3.0809 -3.0809 -3.0809 2.7058 2.7058 2.7058 2.7058 3.1738 3.1738 3.1741 3.1741 3.8827 3.8827 3.8830 3.8830 4.6000 4.6000 4.6000 4.6000 k = 0.5000 0.3859 0.0775 ( 3472 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6240 -42.6240 -42.6240 -42.6240 -3.8135 -3.8135 -3.8133 -3.8133 -3.0809 -3.0809 -3.0809 -3.0809 2.6788 2.6788 2.6789 2.6789 3.2080 3.2080 3.2083 3.2083 3.8449 3.8449 3.8452 3.8452 4.6560 4.6560 4.6561 4.6561 k = 0.5000 0.3859 0.0872 ( 3476 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6240 -42.6240 -42.6240 -42.6240 -3.8135 -3.8135 -3.8133 -3.8133 -3.0809 -3.0809 -3.0809 -3.0809 2.6533 2.6533 2.6533 2.6533 3.2414 3.2414 3.2418 3.2418 3.8091 3.8091 3.8095 3.8095 4.7117 4.7117 4.7117 4.7117 k = 0.5000 0.3859 0.0969 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8134 -3.8134 -3.8132 -3.8132 -3.0809 -3.0809 -3.0809 -3.0809 2.6292 2.6292 2.6292 2.6292 3.2739 3.2739 3.2742 3.2742 3.7755 3.7755 3.7758 3.7758 4.7666 4.7666 4.7667 4.7667 k = 0.5000 0.3859 0.1066 ( 3484 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8133 -3.8133 -3.8131 -3.8131 -3.0810 -3.0810 -3.0809 -3.0809 2.6066 2.6066 2.6066 2.6066 3.3051 3.3051 3.3054 3.3054 3.7441 3.7441 3.7445 3.7445 4.8204 4.8204 4.8204 4.8204 k = 0.5000 0.3859 0.1163 ( 3488 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8132 -3.8132 -3.8130 -3.8130 -3.0810 -3.0810 -3.0810 -3.0810 2.5856 2.5856 2.5857 2.5857 3.3348 3.3348 3.3353 3.3353 3.7149 3.7149 3.7153 3.7153 4.8726 4.8726 4.8726 4.8726 k = 0.5000 0.3859 0.1259 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8132 -3.8132 -3.8129 -3.8129 -3.0810 -3.0810 -3.0810 -3.0810 2.5663 2.5663 2.5663 2.5663 3.3630 3.3630 3.3635 3.3635 3.6881 3.6881 3.6885 3.6885 4.9227 4.9227 4.9227 4.9227 k = 0.5000 0.3859 0.1356 ( 3476 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8131 -3.8131 -3.8129 -3.8129 -3.0810 -3.0810 -3.0810 -3.0810 2.5487 2.5487 2.5487 2.5487 3.3894 3.3894 3.3899 3.3899 3.6636 3.6636 3.6641 3.6641 4.9703 4.9703 4.9703 4.9703 k = 0.5000 0.3859 0.1453 ( 3476 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8130 -3.8130 -3.8128 -3.8128 -3.0810 -3.0810 -3.0810 -3.0810 2.5328 2.5328 2.5328 2.5328 3.4138 3.4138 3.4143 3.4143 3.6414 3.6414 3.6420 3.6420 5.0149 5.0149 5.0149 5.0149 k = 0.5000 0.3859 0.1550 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8129 -3.8129 -3.8127 -3.8127 -3.0810 -3.0810 -3.0810 -3.0810 2.5187 2.5187 2.5187 2.5187 3.4360 3.4360 3.4366 3.4366 3.6216 3.6216 3.6222 3.6222 5.0559 5.0559 5.0559 5.0559 k = 0.5000 0.3859 0.1647 ( 3476 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8129 -3.8129 -3.8126 -3.8126 -3.0810 -3.0810 -3.0810 -3.0810 2.5064 2.5064 2.5064 2.5064 3.4559 3.4559 3.4565 3.4565 3.6041 3.6041 3.6048 3.6048 5.0928 5.0928 5.0928 5.0928 k = 0.5000 0.3859 0.1744 ( 3468 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6240 -42.6240 -42.6240 -42.6240 -3.8128 -3.8128 -3.8126 -3.8126 -3.0810 -3.0810 -3.0810 -3.0810 2.4959 2.4959 2.4960 2.4960 3.4734 3.4734 3.4741 3.4741 3.5890 3.5890 3.5897 3.5897 5.1251 5.1251 5.1251 5.1251 k = 0.5000 0.3859 0.1841 ( 3468 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6240 -42.6240 -42.6240 -42.6240 -3.8128 -3.8128 -3.8125 -3.8125 -3.0810 -3.0810 -3.0810 -3.0810 2.4874 2.4874 2.4874 2.4874 3.4884 3.4884 3.4892 3.4892 3.5760 3.5760 3.5768 3.5768 5.1523 5.1523 5.1523 5.1523 k = 0.5000 0.3859 0.1938 ( 3468 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6240 -42.6240 -42.6240 -42.6240 -3.8127 -3.8127 -3.8125 -3.8125 -3.0810 -3.0810 -3.0810 -3.0810 2.4807 2.4807 2.4807 2.4807 3.5010 3.5010 3.5018 3.5018 3.5652 3.5652 3.5660 3.5660 5.1740 5.1740 5.1740 5.1740 k = 0.5000 0.3859 0.2034 ( 3468 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6240 -42.6240 -42.6240 -42.6240 -3.8127 -3.8127 -3.8125 -3.8125 -3.0810 -3.0810 -3.0810 -3.0810 2.4759 2.4759 2.4759 2.4759 3.5112 3.5112 3.5119 3.5119 3.5564 3.5564 3.5572 3.5572 5.1897 5.1897 5.1898 5.1898 k = 0.5000 0.3859 0.2131 ( 3472 PWs) bands (ev): -49.0155 -49.0155 -49.0155 -49.0155 -42.6240 -42.6240 -42.6240 -42.6240 -3.8127 -3.8127 -3.8125 -3.8125 -3.0810 -3.0810 -3.0810 -3.0810 2.4730 2.4730 2.4730 2.4730 3.5185 3.5185 3.5190 3.5190 3.5502 3.5502 3.5507 3.5507 5.1993 5.1993 5.1993 5.1993 k = 0.5000 0.3859 0.2228 ( 3480 PWs) bands (ev): -49.0156 -49.0156 -49.0156 -49.0156 -42.6240 -42.6240 -42.6240 -42.6240 -3.8127 -3.8127 -3.8125 -3.8125 -3.0810 -3.0810 -3.0810 -3.0810 2.4720 2.4720 2.4720 2.4720 3.5216 3.5216 3.5216 3.5216 3.5479 3.5479 3.5479 3.5479 5.2025 5.2025 5.2025 5.2025 Writing output data file LiB.save init_run : 0.28s CPU 0.53s WALL ( 1 calls) electrons : 228.07s CPU 230.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 228.07s CPU 230.92s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.03s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 468 calls) cegterg : 207.24s CPU 209.47s WALL ( 848 calls) Called by sum_band: Called by *egterg: h_psi : 147.19s CPU 154.66s WALL ( 14252 calls) s_psi : 7.52s CPU 7.70s WALL ( 14252 calls) g_psi : 0.30s CPU 0.39s WALL ( 12936 calls) cdiaghg : 45.54s CPU 41.47s WALL ( 13404 calls) cegterg:over : 9.86s CPU 9.79s WALL ( 12936 calls) cegterg:upda : 2.13s CPU 4.36s WALL ( 12936 calls) cegterg:last : 2.76s CPU 3.86s WALL ( 3103 calls) Called by h_psi: h_psi:vloc : 134.20s CPU 141.24s WALL ( 14252 calls) h_psi:vnl : 12.91s CPU 13.15s WALL ( 14252 calls) add_vuspsi : 4.99s CPU 5.65s WALL ( 14252 calls) General routines calbec : 7.89s CPU 7.47s WALL ( 14252 calls) fft : 0.02s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 129.38s CPU 135.61s WALL ( 1254088 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.15s CPU 0.15s WALL ( 936 calls) Parallel routines fft_scatter : 92.93s CPU 96.01s WALL ( 1254111 calls) PWSCF : 4m 7.88s CPU 4m15.41s WALL This run was terminated on: 17:42:44 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=