Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Dec2016 at 18: 2: 2 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 64 processors R & G space division: proc/nbgrp/npool/nimage = 64 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: ./CuAgTe2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 13 10 3 561 380 61 Max 14 11 4 570 395 69 Sum 857 661 201 36111 24725 4135 bravais-lattice index = 14 lattice parameter (alat) = 5.8959 a.u. unit-cell volume = 586.2446 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.895945 celldm(2)= 1.298077 celldm(3)= 2.203526 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 1.298077 0.000000 ) a(3) = ( 0.000000 0.000000 2.203526 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.770370 -0.000000 ) b(3) = ( 0.000000 0.000000 0.453818 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Cu 11.00 63.54600 Cu( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,1,0] 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 [1,0,0] 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_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] s_v -s_v 3 -3 inv. 180 deg rotation - cart. axis [0,1,0] s_v'-s_v' 4 -4 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 464 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 2) = ( 0.0098039 -0.0000000 -0.0000000), wk = 0.0021552 k( 3) = ( 0.0196078 -0.0000000 -0.0000000), wk = 0.0021552 k( 4) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0021552 k( 5) = ( 0.0392157 -0.0000000 -0.0000000), wk = 0.0021552 k( 6) = ( 0.0490196 -0.0000000 -0.0000000), wk = 0.0021552 k( 7) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0021552 k( 8) = ( 0.0686275 -0.0000000 -0.0000000), wk = 0.0021552 k( 9) = ( 0.0784314 -0.0000000 -0.0000000), wk = 0.0021552 k( 10) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0021552 k( 11) = ( 0.0980392 -0.0000000 -0.0000000), wk = 0.0021552 k( 12) = ( 0.1078431 -0.0000000 -0.0000000), wk = 0.0021552 k( 13) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0021552 k( 14) = ( 0.1274510 -0.0000000 -0.0000000), wk = 0.0021552 k( 15) = ( 0.1372549 -0.0000000 -0.0000000), wk = 0.0021552 k( 16) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0021552 k( 17) = ( 0.1568627 -0.0000000 -0.0000000), wk = 0.0021552 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0021552 k( 19) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0021552 k( 20) = ( 0.1862745 -0.0000000 -0.0000000), wk = 0.0021552 k( 21) = ( 0.1960784 -0.0000000 -0.0000000), wk = 0.0021552 k( 22) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0021552 k( 23) = ( 0.2156863 -0.0000000 -0.0000000), wk = 0.0021552 k( 24) = ( 0.2254902 -0.0000000 -0.0000000), wk = 0.0021552 k( 25) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0021552 k( 26) = ( 0.2450980 -0.0000000 -0.0000000), wk = 0.0021552 k( 27) = ( 0.2549020 -0.0000000 -0.0000000), wk = 0.0021552 k( 28) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0021552 k( 29) = ( 0.2745098 -0.0000000 -0.0000000), wk = 0.0021552 k( 30) = ( 0.2843137 -0.0000000 -0.0000000), wk = 0.0021552 k( 31) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0021552 k( 32) = ( 0.3039216 -0.0000000 -0.0000000), wk = 0.0021552 k( 33) = ( 0.3137255 -0.0000000 -0.0000000), wk = 0.0021552 k( 34) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0021552 k( 35) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0021552 k( 36) = ( 0.3431373 -0.0000000 -0.0000000), wk = 0.0021552 k( 37) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0021552 k( 38) = ( 0.3627451 -0.0000000 -0.0000000), wk = 0.0021552 k( 39) = ( 0.3725490 -0.0000000 -0.0000000), wk = 0.0021552 k( 40) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0021552 k( 41) = ( 0.3921569 -0.0000000 -0.0000000), wk = 0.0021552 k( 42) = ( 0.4019608 -0.0000000 -0.0000000), wk = 0.0021552 k( 43) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0021552 k( 44) = ( 0.4215686 -0.0000000 -0.0000000), wk = 0.0021552 k( 45) = ( 0.4313726 -0.0000000 -0.0000000), wk = 0.0021552 k( 46) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0021552 k( 47) = ( 0.4509804 -0.0000000 -0.0000000), wk = 0.0021552 k( 48) = ( 0.4607843 -0.0000000 -0.0000000), wk = 0.0021552 k( 49) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0021552 k( 50) = ( 0.4803922 -0.0000000 -0.0000000), wk = 0.0021552 k( 51) = ( 0.4901961 -0.0000000 -0.0000000), wk = 0.0021552 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021552 k( 53) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021552 k( 54) = ( 0.5000000 0.0098765 -0.0000000), wk = 0.0021552 k( 55) = ( 0.5000000 0.0197531 -0.0000000), wk = 0.0021552 k( 56) = ( 0.5000000 0.0296296 -0.0000000), wk = 0.0021552 k( 57) = ( 0.5000000 0.0395062 -0.0000000), wk = 0.0021552 k( 58) = ( 0.5000000 0.0493827 -0.0000000), wk = 0.0021552 k( 59) = ( 0.5000000 0.0592593 -0.0000000), wk = 0.0021552 k( 60) = ( 0.5000000 0.0691358 -0.0000000), wk = 0.0021552 k( 61) = ( 0.5000000 0.0790123 -0.0000000), wk = 0.0021552 k( 62) = ( 0.5000000 0.0888889 -0.0000000), wk = 0.0021552 k( 63) = ( 0.5000000 0.0987654 -0.0000000), wk = 0.0021552 k( 64) = ( 0.5000000 0.1086420 -0.0000000), wk = 0.0021552 k( 65) = ( 0.5000000 0.1185185 -0.0000000), wk = 0.0021552 k( 66) = ( 0.5000000 0.1283951 -0.0000000), wk = 0.0021552 k( 67) = ( 0.5000000 0.1382716 -0.0000000), wk = 0.0021552 k( 68) = ( 0.5000000 0.1481481 -0.0000000), wk = 0.0021552 k( 69) = ( 0.5000000 0.1580247 -0.0000000), wk = 0.0021552 k( 70) = ( 0.5000000 0.1679012 -0.0000000), wk = 0.0021552 k( 71) = ( 0.5000000 0.1777778 -0.0000000), wk = 0.0021552 k( 72) = ( 0.5000000 0.1876543 -0.0000000), wk = 0.0021552 k( 73) = ( 0.5000000 0.1975309 -0.0000000), wk = 0.0021552 k( 74) = ( 0.5000000 0.2074074 -0.0000000), wk = 0.0021552 k( 75) = ( 0.5000000 0.2172839 -0.0000000), wk = 0.0021552 k( 76) = ( 0.5000000 0.2271605 -0.0000000), wk = 0.0021552 k( 77) = ( 0.5000000 0.2370370 -0.0000000), wk = 0.0021552 k( 78) = ( 0.5000000 0.2469136 -0.0000000), wk = 0.0021552 k( 79) = ( 0.5000000 0.2567901 -0.0000000), wk = 0.0021552 k( 80) = ( 0.5000000 0.2666667 -0.0000000), wk = 0.0021552 k( 81) = ( 0.5000000 0.2765432 -0.0000000), wk = 0.0021552 k( 82) = ( 0.5000000 0.2864198 -0.0000000), wk = 0.0021552 k( 83) = ( 0.5000000 0.2962963 -0.0000000), wk = 0.0021552 k( 84) = ( 0.5000000 0.3061728 -0.0000000), wk = 0.0021552 k( 85) = ( 0.5000000 0.3160494 -0.0000000), wk = 0.0021552 k( 86) = ( 0.5000000 0.3259259 -0.0000000), wk = 0.0021552 k( 87) = ( 0.5000000 0.3358025 -0.0000000), wk = 0.0021552 k( 88) = ( 0.5000000 0.3456790 -0.0000000), wk = 0.0021552 k( 89) = ( 0.5000000 0.3555556 -0.0000000), wk = 0.0021552 k( 90) = ( 0.5000000 0.3654321 -0.0000000), wk = 0.0021552 k( 91) = ( 0.5000000 0.3753086 -0.0000000), wk = 0.0021552 k( 92) = ( 0.5000000 0.3851852 -0.0000000), wk = 0.0021552 k( 93) = ( 0.5000000 0.3851852 -0.0000000), wk = 0.0021552 k( 94) = ( 0.4901961 0.3851852 -0.0000000), wk = 0.0021552 k( 95) = ( 0.4803922 0.3851852 -0.0000000), wk = 0.0021552 k( 96) = ( 0.4705882 0.3851852 -0.0000000), wk = 0.0021552 k( 97) = ( 0.4607843 0.3851852 -0.0000000), wk = 0.0021552 k( 98) = ( 0.4509804 0.3851852 -0.0000000), wk = 0.0021552 k( 99) = ( 0.4411765 0.3851852 -0.0000000), wk = 0.0021552 k( 100) = ( 0.4313726 0.3851852 -0.0000000), wk = 0.0021552 k( 101) = ( 0.4215686 0.3851852 -0.0000000), wk = 0.0021552 k( 102) = ( 0.4117647 0.3851852 -0.0000000), wk = 0.0021552 k( 103) = ( 0.4019608 0.3851852 -0.0000000), wk = 0.0021552 k( 104) = ( 0.3921569 0.3851852 -0.0000000), wk = 0.0021552 k( 105) = ( 0.3823529 0.3851852 -0.0000000), wk = 0.0021552 k( 106) = ( 0.3725490 0.3851852 -0.0000000), wk = 0.0021552 k( 107) = ( 0.3627451 0.3851852 -0.0000000), wk = 0.0021552 k( 108) = ( 0.3529412 0.3851852 -0.0000000), wk = 0.0021552 k( 109) = ( 0.3431373 0.3851852 -0.0000000), wk = 0.0021552 k( 110) = ( 0.3333333 0.3851852 -0.0000000), wk = 0.0021552 k( 111) = ( 0.3235294 0.3851852 -0.0000000), wk = 0.0021552 k( 112) = ( 0.3137255 0.3851852 -0.0000000), wk = 0.0021552 k( 113) = ( 0.3039216 0.3851852 -0.0000000), wk = 0.0021552 k( 114) = ( 0.2941177 0.3851852 -0.0000000), wk = 0.0021552 k( 115) = ( 0.2843137 0.3851852 -0.0000000), wk = 0.0021552 k( 116) = ( 0.2745098 0.3851852 -0.0000000), wk = 0.0021552 k( 117) = ( 0.2647059 0.3851852 -0.0000000), wk = 0.0021552 k( 118) = ( 0.2549020 0.3851852 -0.0000000), wk = 0.0021552 k( 119) = ( 0.2450980 0.3851852 -0.0000000), wk = 0.0021552 k( 120) = ( 0.2352941 0.3851852 -0.0000000), wk = 0.0021552 k( 121) = ( 0.2254902 0.3851852 -0.0000000), wk = 0.0021552 k( 122) = ( 0.2156863 0.3851852 -0.0000000), wk = 0.0021552 k( 123) = ( 0.2058823 0.3851852 -0.0000000), wk = 0.0021552 k( 124) = ( 0.1960784 0.3851852 -0.0000000), wk = 0.0021552 k( 125) = ( 0.1862745 0.3851852 -0.0000000), wk = 0.0021552 k( 126) = ( 0.1764706 0.3851852 -0.0000000), wk = 0.0021552 k( 127) = ( 0.1666667 0.3851852 -0.0000000), wk = 0.0021552 k( 128) = ( 0.1568627 0.3851852 -0.0000000), wk = 0.0021552 k( 129) = ( 0.1470588 0.3851852 -0.0000000), wk = 0.0021552 k( 130) = ( 0.1372549 0.3851852 -0.0000000), wk = 0.0021552 k( 131) = ( 0.1274510 0.3851852 -0.0000000), wk = 0.0021552 k( 132) = ( 0.1176471 0.3851852 -0.0000000), wk = 0.0021552 k( 133) = ( 0.1078431 0.3851852 -0.0000000), wk = 0.0021552 k( 134) = ( 0.0980392 0.3851852 -0.0000000), wk = 0.0021552 k( 135) = ( 0.0882353 0.3851852 -0.0000000), wk = 0.0021552 k( 136) = ( 0.0784314 0.3851852 -0.0000000), wk = 0.0021552 k( 137) = ( 0.0686275 0.3851852 -0.0000000), wk = 0.0021552 k( 138) = ( 0.0588235 0.3851852 -0.0000000), wk = 0.0021552 k( 139) = ( 0.0490196 0.3851852 -0.0000000), wk = 0.0021552 k( 140) = ( 0.0392157 0.3851852 -0.0000000), wk = 0.0021552 k( 141) = ( 0.0294118 0.3851852 -0.0000000), wk = 0.0021552 k( 142) = ( 0.0196078 0.3851852 -0.0000000), wk = 0.0021552 k( 143) = ( 0.0098039 0.3851852 -0.0000000), wk = 0.0021552 k( 144) = ( 0.0000000 0.3851852 -0.0000000), wk = 0.0021552 k( 145) = ( 0.0000000 0.3851852 -0.0000000), wk = 0.0021552 k( 146) = ( 0.0000000 0.3753086 -0.0000000), wk = 0.0021552 k( 147) = ( 0.0000000 0.3654321 -0.0000000), wk = 0.0021552 k( 148) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0021552 k( 149) = ( 0.0000000 0.3456790 -0.0000000), wk = 0.0021552 k( 150) = ( 0.0000000 0.3358025 -0.0000000), wk = 0.0021552 k( 151) = ( 0.0000000 0.3259259 -0.0000000), wk = 0.0021552 k( 152) = ( 0.0000000 0.3160494 -0.0000000), wk = 0.0021552 k( 153) = ( 0.0000000 0.3061728 -0.0000000), wk = 0.0021552 k( 154) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0021552 k( 155) = ( 0.0000000 0.2864198 -0.0000000), wk = 0.0021552 k( 156) = ( 0.0000000 0.2765432 -0.0000000), wk = 0.0021552 k( 157) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0021552 k( 158) = ( 0.0000000 0.2567901 -0.0000000), wk = 0.0021552 k( 159) = ( 0.0000000 0.2469136 -0.0000000), wk = 0.0021552 k( 160) = ( 0.0000000 0.2370370 -0.0000000), wk = 0.0021552 k( 161) = ( 0.0000000 0.2271605 -0.0000000), wk = 0.0021552 k( 162) = ( 0.0000000 0.2172839 -0.0000000), wk = 0.0021552 k( 163) = ( 0.0000000 0.2074074 -0.0000000), wk = 0.0021552 k( 164) = ( 0.0000000 0.1975309 -0.0000000), wk = 0.0021552 k( 165) = ( 0.0000000 0.1876543 -0.0000000), wk = 0.0021552 k( 166) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0021552 k( 167) = ( 0.0000000 0.1679012 -0.0000000), wk = 0.0021552 k( 168) = ( 0.0000000 0.1580247 -0.0000000), wk = 0.0021552 k( 169) = ( 0.0000000 0.1481481 -0.0000000), wk = 0.0021552 k( 170) = ( 0.0000000 0.1382716 -0.0000000), wk = 0.0021552 k( 171) = ( 0.0000000 0.1283951 -0.0000000), wk = 0.0021552 k( 172) = ( 0.0000000 0.1185185 -0.0000000), wk = 0.0021552 k( 173) = ( 0.0000000 0.1086420 -0.0000000), wk = 0.0021552 k( 174) = ( 0.0000000 0.0987654 -0.0000000), wk = 0.0021552 k( 175) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0021552 k( 176) = ( 0.0000000 0.0790123 -0.0000000), wk = 0.0021552 k( 177) = ( 0.0000000 0.0691358 -0.0000000), wk = 0.0021552 k( 178) = ( 0.0000000 0.0592593 -0.0000000), wk = 0.0021552 k( 179) = ( 0.0000000 0.0493827 -0.0000000), wk = 0.0021552 k( 180) = ( 0.0000000 0.0395062 -0.0000000), wk = 0.0021552 k( 181) = ( 0.0000000 0.0296296 -0.0000000), wk = 0.0021552 k( 182) = ( 0.0000000 0.0197531 -0.0000000), wk = 0.0021552 k( 183) = ( 0.0000000 0.0098765 -0.0000000), wk = 0.0021552 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 186) = ( 0.0000000 0.0000000 0.0098656), wk = 0.0021552 k( 187) = ( 0.0000000 0.0000000 0.0197312), wk = 0.0021552 k( 188) = ( 0.0000000 0.0000000 0.0295968), wk = 0.0021552 k( 189) = ( 0.0000000 0.0000000 0.0394624), wk = 0.0021552 k( 190) = ( 0.0000000 0.0000000 0.0493281), wk = 0.0021552 k( 191) = ( 0.0000000 0.0000000 0.0591937), wk = 0.0021552 k( 192) = ( 0.0000000 0.0000000 0.0690593), wk = 0.0021552 k( 193) = ( 0.0000000 0.0000000 0.0789249), wk = 0.0021552 k( 194) = ( 0.0000000 0.0000000 0.0887905), wk = 0.0021552 k( 195) = ( 0.0000000 0.0000000 0.0986561), wk = 0.0021552 k( 196) = ( 0.0000000 0.0000000 0.1085217), wk = 0.0021552 k( 197) = ( 0.0000000 0.0000000 0.1183874), wk = 0.0021552 k( 198) = ( 0.0000000 0.0000000 0.1282530), wk = 0.0021552 k( 199) = ( 0.0000000 0.0000000 0.1381186), wk = 0.0021552 k( 200) = ( 0.0000000 0.0000000 0.1479842), wk = 0.0021552 k( 201) = ( 0.0000000 0.0000000 0.1578498), wk = 0.0021552 k( 202) = ( 0.0000000 0.0000000 0.1677154), wk = 0.0021552 k( 203) = ( 0.0000000 0.0000000 0.1775810), wk = 0.0021552 k( 204) = ( 0.0000000 0.0000000 0.1874466), wk = 0.0021552 k( 205) = ( 0.0000000 0.0000000 0.1973123), wk = 0.0021552 k( 206) = ( 0.0000000 0.0000000 0.2071779), wk = 0.0021552 k( 207) = ( 0.0000000 0.0000000 0.2170435), wk = 0.0021552 k( 208) = ( 0.0000000 0.0000000 0.2269091), wk = 0.0021552 k( 209) = ( 0.0000000 0.0000000 0.2269091), wk = 0.0021552 k( 210) = ( 0.0098039 -0.0000000 0.2269091), wk = 0.0021552 k( 211) = ( 0.0196078 -0.0000000 0.2269091), wk = 0.0021552 k( 212) = ( 0.0294118 -0.0000000 0.2269091), wk = 0.0021552 k( 213) = ( 0.0392157 -0.0000000 0.2269091), wk = 0.0021552 k( 214) = ( 0.0490196 -0.0000000 0.2269091), wk = 0.0021552 k( 215) = ( 0.0588235 -0.0000000 0.2269091), wk = 0.0021552 k( 216) = ( 0.0686275 -0.0000000 0.2269091), wk = 0.0021552 k( 217) = ( 0.0784314 -0.0000000 0.2269091), wk = 0.0021552 k( 218) = ( 0.0882353 -0.0000000 0.2269091), wk = 0.0021552 k( 219) = ( 0.0980392 -0.0000000 0.2269091), wk = 0.0021552 k( 220) = ( 0.1078431 -0.0000000 0.2269091), wk = 0.0021552 k( 221) = ( 0.1176471 -0.0000000 0.2269091), wk = 0.0021552 k( 222) = ( 0.1274510 -0.0000000 0.2269091), wk = 0.0021552 k( 223) = ( 0.1372549 -0.0000000 0.2269091), wk = 0.0021552 k( 224) = ( 0.1470588 -0.0000000 0.2269091), wk = 0.0021552 k( 225) = ( 0.1568627 -0.0000000 0.2269091), wk = 0.0021552 k( 226) = ( 0.1666667 -0.0000000 0.2269091), wk = 0.0021552 k( 227) = ( 0.1764706 -0.0000000 0.2269091), wk = 0.0021552 k( 228) = ( 0.1862745 -0.0000000 0.2269091), wk = 0.0021552 k( 229) = ( 0.1960784 -0.0000000 0.2269091), wk = 0.0021552 k( 230) = ( 0.2058823 -0.0000000 0.2269091), wk = 0.0021552 k( 231) = ( 0.2156863 -0.0000000 0.2269091), wk = 0.0021552 k( 232) = ( 0.2254902 -0.0000000 0.2269091), wk = 0.0021552 k( 233) = ( 0.2352941 -0.0000000 0.2269091), wk = 0.0021552 k( 234) = ( 0.2450980 -0.0000000 0.2269091), wk = 0.0021552 k( 235) = ( 0.2549020 -0.0000000 0.2269091), wk = 0.0021552 k( 236) = ( 0.2647059 -0.0000000 0.2269091), wk = 0.0021552 k( 237) = ( 0.2745098 -0.0000000 0.2269091), wk = 0.0021552 k( 238) = ( 0.2843137 -0.0000000 0.2269091), wk = 0.0021552 k( 239) = ( 0.2941177 -0.0000000 0.2269091), wk = 0.0021552 k( 240) = ( 0.3039216 -0.0000000 0.2269091), wk = 0.0021552 k( 241) = ( 0.3137255 -0.0000000 0.2269091), wk = 0.0021552 k( 242) = ( 0.3235294 -0.0000000 0.2269091), wk = 0.0021552 k( 243) = ( 0.3333333 -0.0000000 0.2269091), wk = 0.0021552 k( 244) = ( 0.3431373 -0.0000000 0.2269091), wk = 0.0021552 k( 245) = ( 0.3529412 -0.0000000 0.2269091), wk = 0.0021552 k( 246) = ( 0.3627451 -0.0000000 0.2269091), wk = 0.0021552 k( 247) = ( 0.3725490 -0.0000000 0.2269091), wk = 0.0021552 k( 248) = ( 0.3823529 -0.0000000 0.2269091), wk = 0.0021552 k( 249) = ( 0.3921569 -0.0000000 0.2269091), wk = 0.0021552 k( 250) = ( 0.4019608 -0.0000000 0.2269091), wk = 0.0021552 k( 251) = ( 0.4117647 -0.0000000 0.2269091), wk = 0.0021552 k( 252) = ( 0.4215686 -0.0000000 0.2269091), wk = 0.0021552 k( 253) = ( 0.4313726 -0.0000000 0.2269091), wk = 0.0021552 k( 254) = ( 0.4411765 -0.0000000 0.2269091), wk = 0.0021552 k( 255) = ( 0.4509804 -0.0000000 0.2269091), wk = 0.0021552 k( 256) = ( 0.4607843 -0.0000000 0.2269091), wk = 0.0021552 k( 257) = ( 0.4705882 -0.0000000 0.2269091), wk = 0.0021552 k( 258) = ( 0.4803922 -0.0000000 0.2269091), wk = 0.0021552 k( 259) = ( 0.4901961 -0.0000000 0.2269091), wk = 0.0021552 k( 260) = ( 0.5000000 -0.0000000 0.2269091), wk = 0.0021552 k( 261) = ( 0.5000000 -0.0000000 0.2269091), wk = 0.0021552 k( 262) = ( 0.5000000 0.0098765 0.2269091), wk = 0.0021552 k( 263) = ( 0.5000000 0.0197531 0.2269091), wk = 0.0021552 k( 264) = ( 0.5000000 0.0296296 0.2269091), wk = 0.0021552 k( 265) = ( 0.5000000 0.0395062 0.2269091), wk = 0.0021552 k( 266) = ( 0.5000000 0.0493827 0.2269091), wk = 0.0021552 k( 267) = ( 0.5000000 0.0592593 0.2269091), wk = 0.0021552 k( 268) = ( 0.5000000 0.0691358 0.2269091), wk = 0.0021552 k( 269) = ( 0.5000000 0.0790123 0.2269091), wk = 0.0021552 k( 270) = ( 0.5000000 0.0888889 0.2269091), wk = 0.0021552 k( 271) = ( 0.5000000 0.0987654 0.2269091), wk = 0.0021552 k( 272) = ( 0.5000000 0.1086420 0.2269091), wk = 0.0021552 k( 273) = ( 0.5000000 0.1185185 0.2269091), wk = 0.0021552 k( 274) = ( 0.5000000 0.1283951 0.2269091), wk = 0.0021552 k( 275) = ( 0.5000000 0.1382716 0.2269091), wk = 0.0021552 k( 276) = ( 0.5000000 0.1481481 0.2269091), wk = 0.0021552 k( 277) = ( 0.5000000 0.1580247 0.2269091), wk = 0.0021552 k( 278) = ( 0.5000000 0.1679012 0.2269091), wk = 0.0021552 k( 279) = ( 0.5000000 0.1777778 0.2269091), wk = 0.0021552 k( 280) = ( 0.5000000 0.1876543 0.2269091), wk = 0.0021552 k( 281) = ( 0.5000000 0.1975309 0.2269091), wk = 0.0021552 k( 282) = ( 0.5000000 0.2074074 0.2269091), wk = 0.0021552 k( 283) = ( 0.5000000 0.2172839 0.2269091), wk = 0.0021552 k( 284) = ( 0.5000000 0.2271605 0.2269091), wk = 0.0021552 k( 285) = ( 0.5000000 0.2370370 0.2269091), wk = 0.0021552 k( 286) = ( 0.5000000 0.2469136 0.2269091), wk = 0.0021552 k( 287) = ( 0.5000000 0.2567901 0.2269091), wk = 0.0021552 k( 288) = ( 0.5000000 0.2666667 0.2269091), wk = 0.0021552 k( 289) = ( 0.5000000 0.2765432 0.2269091), wk = 0.0021552 k( 290) = ( 0.5000000 0.2864198 0.2269091), wk = 0.0021552 k( 291) = ( 0.5000000 0.2962963 0.2269091), wk = 0.0021552 k( 292) = ( 0.5000000 0.3061728 0.2269091), wk = 0.0021552 k( 293) = ( 0.5000000 0.3160494 0.2269091), wk = 0.0021552 k( 294) = ( 0.5000000 0.3259259 0.2269091), wk = 0.0021552 k( 295) = ( 0.5000000 0.3358025 0.2269091), wk = 0.0021552 k( 296) = ( 0.5000000 0.3456790 0.2269091), wk = 0.0021552 k( 297) = ( 0.5000000 0.3555556 0.2269091), wk = 0.0021552 k( 298) = ( 0.5000000 0.3654321 0.2269091), wk = 0.0021552 k( 299) = ( 0.5000000 0.3753086 0.2269091), wk = 0.0021552 k( 300) = ( 0.5000000 0.3851852 0.2269091), wk = 0.0021552 k( 301) = ( 0.5000000 0.3851852 0.2269091), wk = 0.0021552 k( 302) = ( 0.4901961 0.3851852 0.2269091), wk = 0.0021552 k( 303) = ( 0.4803922 0.3851852 0.2269091), wk = 0.0021552 k( 304) = ( 0.4705882 0.3851852 0.2269091), wk = 0.0021552 k( 305) = ( 0.4607843 0.3851852 0.2269091), wk = 0.0021552 k( 306) = ( 0.4509804 0.3851852 0.2269091), wk = 0.0021552 k( 307) = ( 0.4411765 0.3851852 0.2269091), wk = 0.0021552 k( 308) = ( 0.4313726 0.3851852 0.2269091), wk = 0.0021552 k( 309) = ( 0.4215686 0.3851852 0.2269091), wk = 0.0021552 k( 310) = ( 0.4117647 0.3851852 0.2269091), wk = 0.0021552 k( 311) = ( 0.4019608 0.3851852 0.2269091), wk = 0.0021552 k( 312) = ( 0.3921569 0.3851852 0.2269091), wk = 0.0021552 k( 313) = ( 0.3823529 0.3851852 0.2269091), wk = 0.0021552 k( 314) = ( 0.3725490 0.3851852 0.2269091), wk = 0.0021552 k( 315) = ( 0.3627451 0.3851852 0.2269091), wk = 0.0021552 k( 316) = ( 0.3529412 0.3851852 0.2269091), wk = 0.0021552 k( 317) = ( 0.3431373 0.3851852 0.2269091), wk = 0.0021552 k( 318) = ( 0.3333333 0.3851852 0.2269091), wk = 0.0021552 k( 319) = ( 0.3235294 0.3851852 0.2269091), wk = 0.0021552 k( 320) = ( 0.3137255 0.3851852 0.2269091), wk = 0.0021552 k( 321) = ( 0.3039216 0.3851852 0.2269091), wk = 0.0021552 k( 322) = ( 0.2941177 0.3851852 0.2269091), wk = 0.0021552 k( 323) = ( 0.2843137 0.3851852 0.2269091), wk = 0.0021552 k( 324) = ( 0.2745098 0.3851852 0.2269091), wk = 0.0021552 k( 325) = ( 0.2647059 0.3851852 0.2269091), wk = 0.0021552 k( 326) = ( 0.2549020 0.3851852 0.2269091), wk = 0.0021552 k( 327) = ( 0.2450980 0.3851852 0.2269091), wk = 0.0021552 k( 328) = ( 0.2352941 0.3851852 0.2269091), wk = 0.0021552 k( 329) = ( 0.2254902 0.3851852 0.2269091), wk = 0.0021552 k( 330) = ( 0.2156863 0.3851852 0.2269091), wk = 0.0021552 k( 331) = ( 0.2058823 0.3851852 0.2269091), wk = 0.0021552 k( 332) = ( 0.1960784 0.3851852 0.2269091), wk = 0.0021552 k( 333) = ( 0.1862745 0.3851852 0.2269091), wk = 0.0021552 k( 334) = ( 0.1764706 0.3851852 0.2269091), wk = 0.0021552 k( 335) = ( 0.1666667 0.3851852 0.2269091), wk = 0.0021552 k( 336) = ( 0.1568627 0.3851852 0.2269091), wk = 0.0021552 k( 337) = ( 0.1470588 0.3851852 0.2269091), wk = 0.0021552 k( 338) = ( 0.1372549 0.3851852 0.2269091), wk = 0.0021552 k( 339) = ( 0.1274510 0.3851852 0.2269091), wk = 0.0021552 k( 340) = ( 0.1176471 0.3851852 0.2269091), wk = 0.0021552 k( 341) = ( 0.1078431 0.3851852 0.2269091), wk = 0.0021552 k( 342) = ( 0.0980392 0.3851852 0.2269091), wk = 0.0021552 k( 343) = ( 0.0882353 0.3851852 0.2269091), wk = 0.0021552 k( 344) = ( 0.0784314 0.3851852 0.2269091), wk = 0.0021552 k( 345) = ( 0.0686275 0.3851852 0.2269091), wk = 0.0021552 k( 346) = ( 0.0588235 0.3851852 0.2269091), wk = 0.0021552 k( 347) = ( 0.0490196 0.3851852 0.2269091), wk = 0.0021552 k( 348) = ( 0.0392157 0.3851852 0.2269091), wk = 0.0021552 k( 349) = ( 0.0294118 0.3851852 0.2269091), wk = 0.0021552 k( 350) = ( 0.0196078 0.3851852 0.2269091), wk = 0.0021552 k( 351) = ( 0.0098039 0.3851852 0.2269091), wk = 0.0021552 k( 352) = ( 0.0000000 0.3851852 0.2269091), wk = 0.0021552 k( 353) = ( 0.0000000 0.3851852 0.2269091), wk = 0.0021552 k( 354) = ( 0.0000000 0.3753086 0.2269091), wk = 0.0021552 k( 355) = ( 0.0000000 0.3654321 0.2269091), wk = 0.0021552 k( 356) = ( 0.0000000 0.3555556 0.2269091), wk = 0.0021552 k( 357) = ( 0.0000000 0.3456790 0.2269091), wk = 0.0021552 k( 358) = ( 0.0000000 0.3358025 0.2269091), wk = 0.0021552 k( 359) = ( 0.0000000 0.3259259 0.2269091), wk = 0.0021552 k( 360) = ( 0.0000000 0.3160494 0.2269091), wk = 0.0021552 k( 361) = ( 0.0000000 0.3061728 0.2269091), wk = 0.0021552 k( 362) = ( 0.0000000 0.2962963 0.2269091), wk = 0.0021552 k( 363) = ( 0.0000000 0.2864198 0.2269091), wk = 0.0021552 k( 364) = ( 0.0000000 0.2765432 0.2269091), wk = 0.0021552 k( 365) = ( 0.0000000 0.2666667 0.2269091), wk = 0.0021552 k( 366) = ( 0.0000000 0.2567901 0.2269091), wk = 0.0021552 k( 367) = ( 0.0000000 0.2469136 0.2269091), wk = 0.0021552 k( 368) = ( 0.0000000 0.2370370 0.2269091), wk = 0.0021552 k( 369) = ( 0.0000000 0.2271605 0.2269091), wk = 0.0021552 k( 370) = ( 0.0000000 0.2172839 0.2269091), wk = 0.0021552 k( 371) = ( 0.0000000 0.2074074 0.2269091), wk = 0.0021552 k( 372) = ( 0.0000000 0.1975309 0.2269091), wk = 0.0021552 k( 373) = ( 0.0000000 0.1876543 0.2269091), wk = 0.0021552 k( 374) = ( 0.0000000 0.1777778 0.2269091), wk = 0.0021552 k( 375) = ( 0.0000000 0.1679012 0.2269091), wk = 0.0021552 k( 376) = ( 0.0000000 0.1580247 0.2269091), wk = 0.0021552 k( 377) = ( 0.0000000 0.1481481 0.2269091), wk = 0.0021552 k( 378) = ( 0.0000000 0.1382716 0.2269091), wk = 0.0021552 k( 379) = ( 0.0000000 0.1283951 0.2269091), wk = 0.0021552 k( 380) = ( 0.0000000 0.1185185 0.2269091), wk = 0.0021552 k( 381) = ( 0.0000000 0.1086420 0.2269091), wk = 0.0021552 k( 382) = ( 0.0000000 0.0987654 0.2269091), wk = 0.0021552 k( 383) = ( 0.0000000 0.0888889 0.2269091), wk = 0.0021552 k( 384) = ( 0.0000000 0.0790123 0.2269091), wk = 0.0021552 k( 385) = ( 0.0000000 0.0691358 0.2269091), wk = 0.0021552 k( 386) = ( 0.0000000 0.0592593 0.2269091), wk = 0.0021552 k( 387) = ( 0.0000000 0.0493827 0.2269091), wk = 0.0021552 k( 388) = ( 0.0000000 0.0395062 0.2269091), wk = 0.0021552 k( 389) = ( 0.0000000 0.0296296 0.2269091), wk = 0.0021552 k( 390) = ( 0.0000000 0.0197531 0.2269091), wk = 0.0021552 k( 391) = ( 0.0000000 0.0098765 0.2269091), wk = 0.0021552 k( 392) = ( 0.0000000 0.0000000 0.2269091), wk = 0.0021552 k( 393) = ( 0.0000000 0.3851852 -0.0000000), wk = 0.0021552 k( 394) = ( 0.0000000 0.3851852 0.0098656), wk = 0.0021552 k( 395) = ( 0.0000000 0.3851852 0.0197312), wk = 0.0021552 k( 396) = ( 0.0000000 0.3851852 0.0295968), wk = 0.0021552 k( 397) = ( 0.0000000 0.3851852 0.0394624), wk = 0.0021552 k( 398) = ( 0.0000000 0.3851852 0.0493281), wk = 0.0021552 k( 399) = ( 0.0000000 0.3851852 0.0591937), wk = 0.0021552 k( 400) = ( 0.0000000 0.3851852 0.0690593), wk = 0.0021552 k( 401) = ( 0.0000000 0.3851852 0.0789249), wk = 0.0021552 k( 402) = ( 0.0000000 0.3851852 0.0887905), wk = 0.0021552 k( 403) = ( 0.0000000 0.3851852 0.0986561), wk = 0.0021552 k( 404) = ( 0.0000000 0.3851852 0.1085217), wk = 0.0021552 k( 405) = ( 0.0000000 0.3851852 0.1183874), wk = 0.0021552 k( 406) = ( 0.0000000 0.3851852 0.1282530), wk = 0.0021552 k( 407) = ( 0.0000000 0.3851852 0.1381186), wk = 0.0021552 k( 408) = ( 0.0000000 0.3851852 0.1479842), wk = 0.0021552 k( 409) = ( 0.0000000 0.3851852 0.1578498), wk = 0.0021552 k( 410) = ( 0.0000000 0.3851852 0.1677154), wk = 0.0021552 k( 411) = ( 0.0000000 0.3851852 0.1775810), wk = 0.0021552 k( 412) = ( 0.0000000 0.3851852 0.1874466), wk = 0.0021552 k( 413) = ( 0.0000000 0.3851852 0.1973123), wk = 0.0021552 k( 414) = ( 0.0000000 0.3851852 0.2071779), wk = 0.0021552 k( 415) = ( 0.0000000 0.3851852 0.2170435), wk = 0.0021552 k( 416) = ( 0.0000000 0.3851852 0.2269091), wk = 0.0021552 k( 417) = ( 0.5000000 -0.0000000 0.2269091), wk = 0.0021552 k( 418) = ( 0.5000000 -0.0000000 0.2170435), wk = 0.0021552 k( 419) = ( 0.5000000 -0.0000000 0.2071779), wk = 0.0021552 k( 420) = ( 0.5000000 -0.0000000 0.1973123), wk = 0.0021552 k( 421) = ( 0.5000000 -0.0000000 0.1874466), wk = 0.0021552 k( 422) = ( 0.5000000 -0.0000000 0.1775810), wk = 0.0021552 k( 423) = ( 0.5000000 -0.0000000 0.1677154), wk = 0.0021552 k( 424) = ( 0.5000000 -0.0000000 0.1578498), wk = 0.0021552 k( 425) = ( 0.5000000 -0.0000000 0.1479842), wk = 0.0021552 k( 426) = ( 0.5000000 -0.0000000 0.1381186), wk = 0.0021552 k( 427) = ( 0.5000000 -0.0000000 0.1282530), wk = 0.0021552 k( 428) = ( 0.5000000 -0.0000000 0.1183874), wk = 0.0021552 k( 429) = ( 0.5000000 -0.0000000 0.1085217), wk = 0.0021552 k( 430) = ( 0.5000000 -0.0000000 0.0986561), wk = 0.0021552 k( 431) = ( 0.5000000 -0.0000000 0.0887905), wk = 0.0021552 k( 432) = ( 0.5000000 -0.0000000 0.0789249), wk = 0.0021552 k( 433) = ( 0.5000000 -0.0000000 0.0690593), wk = 0.0021552 k( 434) = ( 0.5000000 -0.0000000 0.0591937), wk = 0.0021552 k( 435) = ( 0.5000000 -0.0000000 0.0493281), wk = 0.0021552 k( 436) = ( 0.5000000 -0.0000000 0.0394624), wk = 0.0021552 k( 437) = ( 0.5000000 -0.0000000 0.0295968), wk = 0.0021552 k( 438) = ( 0.5000000 -0.0000000 0.0197312), wk = 0.0021552 k( 439) = ( 0.5000000 -0.0000000 0.0098656), wk = 0.0021552 k( 440) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021552 k( 441) = ( 0.5000000 0.3851852 -0.0000000), wk = 0.0021552 k( 442) = ( 0.5000000 0.3851852 0.0098656), wk = 0.0021552 k( 443) = ( 0.5000000 0.3851852 0.0197312), wk = 0.0021552 k( 444) = ( 0.5000000 0.3851852 0.0295968), wk = 0.0021552 k( 445) = ( 0.5000000 0.3851852 0.0394624), wk = 0.0021552 k( 446) = ( 0.5000000 0.3851852 0.0493281), wk = 0.0021552 k( 447) = ( 0.5000000 0.3851852 0.0591937), wk = 0.0021552 k( 448) = ( 0.5000000 0.3851852 0.0690593), wk = 0.0021552 k( 449) = ( 0.5000000 0.3851852 0.0789249), wk = 0.0021552 k( 450) = ( 0.5000000 0.3851852 0.0887905), wk = 0.0021552 k( 451) = ( 0.5000000 0.3851852 0.0986561), wk = 0.0021552 k( 452) = ( 0.5000000 0.3851852 0.1085217), wk = 0.0021552 k( 453) = ( 0.5000000 0.3851852 0.1183874), wk = 0.0021552 k( 454) = ( 0.5000000 0.3851852 0.1282530), wk = 0.0021552 k( 455) = ( 0.5000000 0.3851852 0.1381186), wk = 0.0021552 k( 456) = ( 0.5000000 0.3851852 0.1479842), wk = 0.0021552 k( 457) = ( 0.5000000 0.3851852 0.1578498), wk = 0.0021552 k( 458) = ( 0.5000000 0.3851852 0.1677154), wk = 0.0021552 k( 459) = ( 0.5000000 0.3851852 0.1775810), wk = 0.0021552 k( 460) = ( 0.5000000 0.3851852 0.1874466), wk = 0.0021552 k( 461) = ( 0.5000000 0.3851852 0.1973123), wk = 0.0021552 k( 462) = ( 0.5000000 0.3851852 0.2071779), wk = 0.0021552 k( 463) = ( 0.5000000 0.3851852 0.2170435), wk = 0.0021552 k( 464) = ( 0.5000000 0.3851852 0.2269091), wk = 0.0021552 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0021552 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0021552 k( 4) = ( 0.0294118 0.0000000 0.0000000), wk = 0.0021552 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0021552 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0021552 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0021552 k( 8) = ( 0.0686275 0.0000000 0.0000000), wk = 0.0021552 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0021552 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0021552 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0021552 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0021552 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0021552 k( 14) = ( 0.1274510 0.0000000 0.0000000), wk = 0.0021552 k( 15) = ( 0.1372549 0.0000000 0.0000000), wk = 0.0021552 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0021552 k( 17) = ( 0.1568627 0.0000000 -0.0000000), wk = 0.0021552 k( 18) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0021552 k( 19) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0021552 k( 20) = ( 0.1862745 0.0000000 0.0000000), wk = 0.0021552 k( 21) = ( 0.1960784 0.0000000 0.0000000), wk = 0.0021552 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0021552 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0021552 k( 24) = ( 0.2254902 0.0000000 0.0000000), wk = 0.0021552 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0021552 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0021552 k( 27) = ( 0.2549020 0.0000000 0.0000000), wk = 0.0021552 k( 28) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0021552 k( 29) = ( 0.2745098 0.0000000 0.0000000), wk = 0.0021552 k( 30) = ( 0.2843137 0.0000000 0.0000000), wk = 0.0021552 k( 31) = ( 0.2941177 0.0000000 0.0000000), wk = 0.0021552 k( 32) = ( 0.3039216 0.0000000 0.0000000), wk = 0.0021552 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0021552 k( 34) = ( 0.3235294 0.0000000 -0.0000000), wk = 0.0021552 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0021552 k( 36) = ( 0.3431373 0.0000000 -0.0000000), wk = 0.0021552 k( 37) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0021552 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0021552 k( 39) = ( 0.3725490 0.0000000 0.0000000), wk = 0.0021552 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0021552 k( 41) = ( 0.3921569 0.0000000 0.0000000), wk = 0.0021552 k( 42) = ( 0.4019608 0.0000000 0.0000000), wk = 0.0021552 k( 43) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0021552 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0021552 k( 45) = ( 0.4313726 0.0000000 0.0000000), wk = 0.0021552 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0021552 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0021552 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0021552 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0021552 k( 50) = ( 0.4803922 0.0000000 0.0000000), wk = 0.0021552 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0021552 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021552 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021552 k( 54) = ( 0.5000000 0.0128205 0.0000000), wk = 0.0021552 k( 55) = ( 0.5000000 0.0256410 0.0000000), wk = 0.0021552 k( 56) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0021552 k( 57) = ( 0.5000000 0.0512821 0.0000000), wk = 0.0021552 k( 58) = ( 0.5000000 0.0641026 0.0000000), wk = 0.0021552 k( 59) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0021552 k( 60) = ( 0.5000000 0.0897436 0.0000000), wk = 0.0021552 k( 61) = ( 0.5000000 0.1025641 0.0000000), wk = 0.0021552 k( 62) = ( 0.5000000 0.1153846 0.0000000), wk = 0.0021552 k( 63) = ( 0.5000000 0.1282051 0.0000000), wk = 0.0021552 k( 64) = ( 0.5000000 0.1410256 0.0000000), wk = 0.0021552 k( 65) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0021552 k( 66) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0021552 k( 67) = ( 0.5000000 0.1794872 0.0000000), wk = 0.0021552 k( 68) = ( 0.5000000 0.1923077 0.0000000), wk = 0.0021552 k( 69) = ( 0.5000000 0.2051282 0.0000000), wk = 0.0021552 k( 70) = ( 0.5000000 0.2179487 0.0000000), wk = 0.0021552 k( 71) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0021552 k( 72) = ( 0.5000000 0.2435897 0.0000000), wk = 0.0021552 k( 73) = ( 0.5000000 0.2564103 0.0000000), wk = 0.0021552 k( 74) = ( 0.5000000 0.2692308 0.0000000), wk = 0.0021552 k( 75) = ( 0.5000000 0.2820513 0.0000000), wk = 0.0021552 k( 76) = ( 0.5000000 0.2948718 0.0000000), wk = 0.0021552 k( 77) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0021552 k( 78) = ( 0.5000000 0.3205128 0.0000000), wk = 0.0021552 k( 79) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0021552 k( 80) = ( 0.5000000 0.3461538 0.0000000), wk = 0.0021552 k( 81) = ( 0.5000000 0.3589744 0.0000000), wk = 0.0021552 k( 82) = ( 0.5000000 0.3717949 0.0000000), wk = 0.0021552 k( 83) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0021552 k( 84) = ( 0.5000000 0.3974359 0.0000000), wk = 0.0021552 k( 85) = ( 0.5000000 0.4102564 0.0000000), wk = 0.0021552 k( 86) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0021552 k( 87) = ( 0.5000000 0.4358974 0.0000000), wk = 0.0021552 k( 88) = ( 0.5000000 0.4487179 0.0000000), wk = 0.0021552 k( 89) = ( 0.5000000 0.4615385 0.0000000), wk = 0.0021552 k( 90) = ( 0.5000000 0.4743590 0.0000000), wk = 0.0021552 k( 91) = ( 0.5000000 0.4871795 0.0000000), wk = 0.0021552 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021552 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021552 k( 94) = ( 0.4901961 0.5000000 -0.0000000), wk = 0.0021552 k( 95) = ( 0.4803922 0.5000000 0.0000000), wk = 0.0021552 k( 96) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0021552 k( 97) = ( 0.4607843 0.5000000 0.0000000), wk = 0.0021552 k( 98) = ( 0.4509804 0.5000000 0.0000000), wk = 0.0021552 k( 99) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0021552 k( 100) = ( 0.4313726 0.5000000 0.0000000), wk = 0.0021552 k( 101) = ( 0.4215686 0.5000000 0.0000000), wk = 0.0021552 k( 102) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0021552 k( 103) = ( 0.4019608 0.5000000 0.0000000), wk = 0.0021552 k( 104) = ( 0.3921569 0.5000000 0.0000000), wk = 0.0021552 k( 105) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0021552 k( 106) = ( 0.3725490 0.5000000 0.0000000), wk = 0.0021552 k( 107) = ( 0.3627451 0.5000000 0.0000000), wk = 0.0021552 k( 108) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0021552 k( 109) = ( 0.3431373 0.5000000 0.0000000), wk = 0.0021552 k( 110) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0021552 k( 111) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0021552 k( 112) = ( 0.3137255 0.5000000 0.0000000), wk = 0.0021552 k( 113) = ( 0.3039216 0.5000000 0.0000000), wk = 0.0021552 k( 114) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0021552 k( 115) = ( 0.2843137 0.5000000 0.0000000), wk = 0.0021552 k( 116) = ( 0.2745098 0.5000000 0.0000000), wk = 0.0021552 k( 117) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0021552 k( 118) = ( 0.2549020 0.5000000 0.0000000), wk = 0.0021552 k( 119) = ( 0.2450980 0.5000000 0.0000000), wk = 0.0021552 k( 120) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0021552 k( 121) = ( 0.2254902 0.5000000 0.0000000), wk = 0.0021552 k( 122) = ( 0.2156863 0.5000000 0.0000000), wk = 0.0021552 k( 123) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0021552 k( 124) = ( 0.1960784 0.5000000 0.0000000), wk = 0.0021552 k( 125) = ( 0.1862745 0.5000000 0.0000000), wk = 0.0021552 k( 126) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0021552 k( 127) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0021552 k( 128) = ( 0.1568627 0.5000000 0.0000000), wk = 0.0021552 k( 129) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0021552 k( 130) = ( 0.1372549 0.5000000 0.0000000), wk = 0.0021552 k( 131) = ( 0.1274510 0.5000000 0.0000000), wk = 0.0021552 k( 132) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0021552 k( 133) = ( 0.1078431 0.5000000 0.0000000), wk = 0.0021552 k( 134) = ( 0.0980392 0.5000000 0.0000000), wk = 0.0021552 k( 135) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0021552 k( 136) = ( 0.0784314 0.5000000 0.0000000), wk = 0.0021552 k( 137) = ( 0.0686275 0.5000000 0.0000000), wk = 0.0021552 k( 138) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0021552 k( 139) = ( 0.0490196 0.5000000 0.0000000), wk = 0.0021552 k( 140) = ( 0.0392157 0.5000000 0.0000000), wk = 0.0021552 k( 141) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0021552 k( 142) = ( 0.0196078 0.5000000 0.0000000), wk = 0.0021552 k( 143) = ( 0.0098039 0.5000000 0.0000000), wk = 0.0021552 k( 144) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021552 k( 145) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021552 k( 146) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0021552 k( 147) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0021552 k( 148) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0021552 k( 149) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0021552 k( 150) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0021552 k( 151) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0021552 k( 152) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0021552 k( 153) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0021552 k( 154) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0021552 k( 155) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0021552 k( 156) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0021552 k( 157) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0021552 k( 158) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0021552 k( 159) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0021552 k( 160) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0021552 k( 161) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0021552 k( 162) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0021552 k( 163) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0021552 k( 164) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0021552 k( 165) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0021552 k( 166) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0021552 k( 167) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0021552 k( 168) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0021552 k( 169) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0021552 k( 170) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0021552 k( 171) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0021552 k( 172) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0021552 k( 173) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0021552 k( 174) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0021552 k( 175) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0021552 k( 176) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0021552 k( 177) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0021552 k( 178) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0021552 k( 179) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0021552 k( 180) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0021552 k( 181) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0021552 k( 182) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0021552 k( 183) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0021552 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 186) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0021552 k( 187) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0021552 k( 188) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0021552 k( 189) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0021552 k( 190) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0021552 k( 191) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0021552 k( 192) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0021552 k( 193) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0021552 k( 194) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0021552 k( 195) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0021552 k( 196) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0021552 k( 197) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0021552 k( 198) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0021552 k( 199) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0021552 k( 200) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0021552 k( 201) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0021552 k( 202) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0021552 k( 203) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0021552 k( 204) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0021552 k( 205) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0021552 k( 206) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0021552 k( 207) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0021552 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021552 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021552 k( 210) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0021552 k( 211) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0021552 k( 212) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0021552 k( 213) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0021552 k( 214) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0021552 k( 215) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0021552 k( 216) = ( 0.0686275 0.0000000 0.5000000), wk = 0.0021552 k( 217) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0021552 k( 218) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0021552 k( 219) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0021552 k( 220) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0021552 k( 221) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0021552 k( 222) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0021552 k( 223) = ( 0.1372549 0.0000000 0.5000000), wk = 0.0021552 k( 224) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0021552 k( 225) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0021552 k( 226) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0021552 k( 227) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0021552 k( 228) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0021552 k( 229) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0021552 k( 230) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0021552 k( 231) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0021552 k( 232) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0021552 k( 233) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0021552 k( 234) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0021552 k( 235) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0021552 k( 236) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0021552 k( 237) = ( 0.2745098 0.0000000 0.5000000), wk = 0.0021552 k( 238) = ( 0.2843137 0.0000000 0.5000000), wk = 0.0021552 k( 239) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0021552 k( 240) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0021552 k( 241) = ( 0.3137255 0.0000000 0.5000000), wk = 0.0021552 k( 242) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0021552 k( 243) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0021552 k( 244) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0021552 k( 245) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0021552 k( 246) = ( 0.3627451 0.0000000 0.5000000), wk = 0.0021552 k( 247) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0021552 k( 248) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0021552 k( 249) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0021552 k( 250) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0021552 k( 251) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0021552 k( 252) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0021552 k( 253) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0021552 k( 254) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0021552 k( 255) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0021552 k( 256) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0021552 k( 257) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0021552 k( 258) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0021552 k( 259) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0021552 k( 260) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021552 k( 261) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021552 k( 262) = ( 0.5000000 0.0128205 0.5000000), wk = 0.0021552 k( 263) = ( 0.5000000 0.0256410 0.5000000), wk = 0.0021552 k( 264) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0021552 k( 265) = ( 0.5000000 0.0512821 0.5000000), wk = 0.0021552 k( 266) = ( 0.5000000 0.0641026 0.5000000), wk = 0.0021552 k( 267) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0021552 k( 268) = ( 0.5000000 0.0897436 0.5000000), wk = 0.0021552 k( 269) = ( 0.5000000 0.1025641 0.5000000), wk = 0.0021552 k( 270) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0021552 k( 271) = ( 0.5000000 0.1282051 0.5000000), wk = 0.0021552 k( 272) = ( 0.5000000 0.1410256 0.5000000), wk = 0.0021552 k( 273) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0021552 k( 274) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0021552 k( 275) = ( 0.5000000 0.1794872 0.5000000), wk = 0.0021552 k( 276) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0021552 k( 277) = ( 0.5000000 0.2051282 0.5000000), wk = 0.0021552 k( 278) = ( 0.5000000 0.2179487 0.5000000), wk = 0.0021552 k( 279) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0021552 k( 280) = ( 0.5000000 0.2435897 0.5000000), wk = 0.0021552 k( 281) = ( 0.5000000 0.2564103 0.5000000), wk = 0.0021552 k( 282) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0021552 k( 283) = ( 0.5000000 0.2820513 0.5000000), wk = 0.0021552 k( 284) = ( 0.5000000 0.2948718 0.5000000), wk = 0.0021552 k( 285) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0021552 k( 286) = ( 0.5000000 0.3205128 0.5000000), wk = 0.0021552 k( 287) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0021552 k( 288) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0021552 k( 289) = ( 0.5000000 0.3589744 0.5000000), wk = 0.0021552 k( 290) = ( 0.5000000 0.3717949 0.5000000), wk = 0.0021552 k( 291) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0021552 k( 292) = ( 0.5000000 0.3974359 0.5000000), wk = 0.0021552 k( 293) = ( 0.5000000 0.4102564 0.5000000), wk = 0.0021552 k( 294) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0021552 k( 295) = ( 0.5000000 0.4358974 0.5000000), wk = 0.0021552 k( 296) = ( 0.5000000 0.4487179 0.5000000), wk = 0.0021552 k( 297) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0021552 k( 298) = ( 0.5000000 0.4743590 0.5000000), wk = 0.0021552 k( 299) = ( 0.5000000 0.4871795 0.5000000), wk = 0.0021552 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 k( 302) = ( 0.4901961 0.5000000 0.5000000), wk = 0.0021552 k( 303) = ( 0.4803922 0.5000000 0.5000000), wk = 0.0021552 k( 304) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0021552 k( 305) = ( 0.4607843 0.5000000 0.5000000), wk = 0.0021552 k( 306) = ( 0.4509804 0.5000000 0.5000000), wk = 0.0021552 k( 307) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0021552 k( 308) = ( 0.4313726 0.5000000 0.5000000), wk = 0.0021552 k( 309) = ( 0.4215686 0.5000000 0.5000000), wk = 0.0021552 k( 310) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0021552 k( 311) = ( 0.4019608 0.5000000 0.5000000), wk = 0.0021552 k( 312) = ( 0.3921569 0.5000000 0.5000000), wk = 0.0021552 k( 313) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0021552 k( 314) = ( 0.3725490 0.5000000 0.5000000), wk = 0.0021552 k( 315) = ( 0.3627451 0.5000000 0.5000000), wk = 0.0021552 k( 316) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0021552 k( 317) = ( 0.3431373 0.5000000 0.5000000), wk = 0.0021552 k( 318) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0021552 k( 319) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0021552 k( 320) = ( 0.3137255 0.5000000 0.5000000), wk = 0.0021552 k( 321) = ( 0.3039216 0.5000000 0.5000000), wk = 0.0021552 k( 322) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0021552 k( 323) = ( 0.2843137 0.5000000 0.5000000), wk = 0.0021552 k( 324) = ( 0.2745098 0.5000000 0.5000000), wk = 0.0021552 k( 325) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0021552 k( 326) = ( 0.2549020 0.5000000 0.5000000), wk = 0.0021552 k( 327) = ( 0.2450980 0.5000000 0.5000000), wk = 0.0021552 k( 328) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0021552 k( 329) = ( 0.2254902 0.5000000 0.5000000), wk = 0.0021552 k( 330) = ( 0.2156863 0.5000000 0.5000000), wk = 0.0021552 k( 331) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0021552 k( 332) = ( 0.1960784 0.5000000 0.5000000), wk = 0.0021552 k( 333) = ( 0.1862745 0.5000000 0.5000000), wk = 0.0021552 k( 334) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0021552 k( 335) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0021552 k( 336) = ( 0.1568627 0.5000000 0.5000000), wk = 0.0021552 k( 337) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0021552 k( 338) = ( 0.1372549 0.5000000 0.5000000), wk = 0.0021552 k( 339) = ( 0.1274510 0.5000000 0.5000000), wk = 0.0021552 k( 340) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0021552 k( 341) = ( 0.1078431 0.5000000 0.5000000), wk = 0.0021552 k( 342) = ( 0.0980392 0.5000000 0.5000000), wk = 0.0021552 k( 343) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0021552 k( 344) = ( 0.0784314 0.5000000 0.5000000), wk = 0.0021552 k( 345) = ( 0.0686275 0.5000000 0.5000000), wk = 0.0021552 k( 346) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0021552 k( 347) = ( 0.0490196 0.5000000 0.5000000), wk = 0.0021552 k( 348) = ( 0.0392157 0.5000000 0.5000000), wk = 0.0021552 k( 349) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0021552 k( 350) = ( 0.0196078 0.5000000 0.5000000), wk = 0.0021552 k( 351) = ( 0.0098039 0.5000000 0.5000000), wk = 0.0021552 k( 352) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021552 k( 353) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021552 k( 354) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0021552 k( 355) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0021552 k( 356) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0021552 k( 357) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0021552 k( 358) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0021552 k( 359) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0021552 k( 360) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0021552 k( 361) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0021552 k( 362) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0021552 k( 363) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0021552 k( 364) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0021552 k( 365) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0021552 k( 366) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0021552 k( 367) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0021552 k( 368) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0021552 k( 369) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0021552 k( 370) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0021552 k( 371) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0021552 k( 372) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0021552 k( 373) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0021552 k( 374) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0021552 k( 375) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0021552 k( 376) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0021552 k( 377) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0021552 k( 378) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0021552 k( 379) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0021552 k( 380) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0021552 k( 381) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0021552 k( 382) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0021552 k( 383) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0021552 k( 384) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0021552 k( 385) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0021552 k( 386) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0021552 k( 387) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0021552 k( 388) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0021552 k( 389) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0021552 k( 390) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0021552 k( 391) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0021552 k( 392) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021552 k( 393) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021552 k( 394) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0021552 k( 395) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0021552 k( 396) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0021552 k( 397) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0021552 k( 398) = ( 0.0000000 0.5000000 0.1086956), wk = 0.0021552 k( 399) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0021552 k( 400) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0021552 k( 401) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0021552 k( 402) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0021552 k( 403) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0021552 k( 404) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0021552 k( 405) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0021552 k( 406) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0021552 k( 407) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0021552 k( 408) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0021552 k( 409) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0021552 k( 410) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0021552 k( 411) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0021552 k( 412) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0021552 k( 413) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0021552 k( 414) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0021552 k( 415) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0021552 k( 416) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021552 k( 417) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021552 k( 418) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0021552 k( 419) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0021552 k( 420) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0021552 k( 421) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0021552 k( 422) = ( 0.5000000 0.0000000 0.3913043), wk = 0.0021552 k( 423) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0021552 k( 424) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0021552 k( 425) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0021552 k( 426) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0021552 k( 427) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0021552 k( 428) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0021552 k( 429) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0021552 k( 430) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0021552 k( 431) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0021552 k( 432) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0021552 k( 433) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0021552 k( 434) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0021552 k( 435) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0021552 k( 436) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0021552 k( 437) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0021552 k( 438) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0021552 k( 439) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0021552 k( 440) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021552 k( 441) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021552 k( 442) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0021552 k( 443) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0021552 k( 444) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0021552 k( 445) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0021552 k( 446) = ( 0.5000000 0.5000000 0.1086956), wk = 0.0021552 k( 447) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0021552 k( 448) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0021552 k( 449) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0021552 k( 450) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0021552 k( 451) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0021552 k( 452) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0021552 k( 453) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0021552 k( 454) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0021552 k( 455) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0021552 k( 456) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0021552 k( 457) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0021552 k( 458) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0021552 k( 459) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0021552 k( 460) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0021552 k( 461) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0021552 k( 462) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0021552 k( 463) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0021552 k( 464) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021552 Dense grid: 36111 G-vectors FFT dimensions: ( 30, 40, 64) Smooth grid: 24725 G-vectors FFT dimensions: ( 25, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 114, 42) NL pseudopotentials 0.12 Mb ( 57, 136) Each V/rho on FFT grid 0.02 Mb ( 1200) Each G-vector array 0.00 Mb ( 567) G-vector shells 0.00 Mb ( 249) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 114, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.17 Mb ( 136, 2, 42) The potential is recalculated from file : ./CuAgTe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.5 secs Computing kpt #: 12 total cpu time spent up to now is 11.2 secs Computing kpt #: 13 total cpu time spent up to now is 12.1 secs Computing kpt #: 14 total cpu time spent up to now is 12.8 secs Computing kpt #: 15 total cpu time spent up to now is 13.8 secs Computing kpt #: 16 total cpu time spent up to now is 14.7 secs Computing kpt #: 17 total cpu time spent up to now is 15.3 secs Computing kpt #: 18 total cpu time spent up to now is 15.9 secs Computing kpt #: 19 total cpu time spent up to now is 16.9 secs Computing kpt #: 20 total cpu time spent up to now is 17.6 secs Computing kpt #: 21 total cpu time spent up to now is 18.3 secs Computing kpt #: 22 total cpu time spent up to now is 18.9 secs Computing kpt #: 23 total cpu time spent up to now is 19.6 secs Computing kpt #: 24 total cpu time spent up to now is 20.4 secs Computing kpt #: 25 total cpu time spent up to now is 21.1 secs Computing kpt #: 26 total cpu time spent up to now is 21.8 secs Computing kpt #: 27 total cpu time spent up to now is 22.4 secs Computing kpt #: 28 total cpu time spent up to now is 22.9 secs Computing kpt #: 29 total cpu time spent up to now is 23.3 secs Computing kpt #: 30 total cpu time spent up to now is 23.7 secs Computing kpt #: 31 total cpu time spent up to now is 24.1 secs Computing kpt #: 32 total cpu time spent up to now is 24.5 secs Computing kpt #: 33 total cpu time spent up to now is 24.9 secs Computing kpt #: 34 total cpu time spent up to now is 25.4 secs Computing kpt #: 35 total cpu time spent up to now is 25.9 secs Computing kpt #: 36 total cpu time spent up to now is 26.4 secs Computing kpt #: 37 total cpu time spent up to now is 26.8 secs Computing kpt #: 38 total cpu time spent up to now is 27.5 secs Computing kpt #: 39 total cpu time spent up to now is 28.3 secs Computing kpt #: 40 total cpu time spent up to now is 28.9 secs Computing kpt #: 41 total cpu time spent up to now is 29.8 secs Computing kpt #: 42 total cpu time spent up to now is 30.4 secs Computing kpt #: 43 total cpu time spent up to now is 31.1 secs Computing kpt #: 44 total cpu time spent up to now is 31.9 secs Computing kpt #: 45 total cpu time spent up to now is 32.6 secs Computing kpt #: 46 total cpu time spent up to now is 33.2 secs Computing kpt #: 47 total cpu time spent up to now is 33.9 secs Computing kpt #: 48 total cpu time spent up to now is 34.5 secs Computing kpt #: 49 total cpu time spent up to now is 35.0 secs Computing kpt #: 50 total cpu time spent up to now is 35.6 secs Computing kpt #: 51 total cpu time spent up to now is 36.4 secs Computing kpt #: 52 total cpu time spent up to now is 37.0 secs Computing kpt #: 53 total cpu time spent up to now is 37.7 secs Computing kpt #: 54 total cpu time spent up to now is 38.4 secs Computing kpt #: 55 total cpu time spent up to now is 39.4 secs Computing kpt #: 56 total cpu time spent up to now is 40.0 secs Computing kpt #: 57 total cpu time spent up to now is 44.0 secs Computing kpt #: 58 total cpu time spent up to now is 44.9 secs Computing kpt #: 59 total cpu time spent up to now is 45.6 secs Computing kpt #: 60 total cpu time spent up to now is 46.6 secs Computing kpt #: 61 total cpu time spent up to now is 47.3 secs Computing kpt #: 62 total cpu time spent up to now is 48.0 secs Computing kpt #: 63 total cpu time spent up to now is 48.7 secs Computing kpt #: 64 total cpu time spent up to now is 49.3 secs Computing kpt #: 65 total cpu time spent up to now is 50.1 secs Computing kpt #: 66 total cpu time spent up to now is 50.9 secs Computing kpt #: 67 total cpu time spent up to now is 51.6 secs Computing kpt #: 68 total cpu time spent up to now is 52.3 secs Computing kpt #: 69 total cpu time spent up to now is 52.8 secs Computing kpt #: 70 total cpu time spent up to now is 53.3 secs Computing kpt #: 71 total cpu time spent up to now is 53.8 secs Computing kpt #: 72 total cpu time spent up to now is 54.3 secs Computing kpt #: 73 total cpu time spent up to now is 54.8 secs Computing kpt #: 74 total cpu time spent up to now is 55.3 secs Computing kpt #: 75 total cpu time spent up to now is 56.0 secs Computing kpt #: 76 total cpu time spent up to now is 56.5 secs Computing kpt #: 77 total cpu time spent up to now is 57.0 secs Computing kpt #: 78 total cpu time spent up to now is 57.9 secs Computing kpt #: 79 total cpu time spent up to now is 58.7 secs Computing kpt #: 80 total cpu time spent up to now is 59.5 secs Computing kpt #: 81 total cpu time spent up to now is 60.2 secs Computing kpt #: 82 total cpu time spent up to now is 61.1 secs Computing kpt #: 83 total cpu time spent up to now is 61.9 secs Computing kpt #: 84 total cpu time spent up to now is 62.6 secs Computing kpt #: 85 total cpu time spent up to now is 63.2 secs Computing kpt #: 86 total cpu time spent up to now is 63.8 secs Computing kpt #: 87 total cpu time spent up to now is 64.5 secs Computing kpt #: 88 total cpu time spent up to now is 65.1 secs Computing kpt #: 89 total cpu time spent up to now is 65.8 secs Computing kpt #: 90 total cpu time spent up to now is 66.5 secs Computing kpt #: 91 total cpu time spent up to now is 67.2 secs Computing kpt #: 92 total cpu time spent up to now is 67.8 secs Computing kpt #: 93 total cpu time spent up to now is 68.5 secs Computing kpt #: 94 total cpu time spent up to now is 69.4 secs Computing kpt #: 95 total cpu time spent up to now is 70.0 secs Computing kpt #: 96 total cpu time spent up to now is 70.8 secs Computing kpt #: 97 total cpu time spent up to now is 71.7 secs Computing kpt #: 98 total cpu time spent up to now is 72.7 secs Computing kpt #: 99 total cpu time spent up to now is 73.8 secs Computing kpt #: 100 total cpu time spent up to now is 74.9 secs Computing kpt #: 101 total cpu time spent up to now is 75.6 secs Computing kpt #: 102 total cpu time spent up to now is 76.6 secs Computing kpt #: 103 total cpu time spent up to now is 77.5 secs Computing kpt #: 104 total cpu time spent up to now is 78.3 secs Computing kpt #: 105 total cpu time spent up to now is 79.0 secs Computing kpt #: 106 total cpu time spent up to now is 79.7 secs Computing kpt #: 107 total cpu time spent up to now is 80.5 secs Computing kpt #: 108 total cpu time spent up to now is 81.2 secs Computing kpt #: 109 total cpu time spent up to now is 81.9 secs Computing kpt #: 110 total cpu time spent up to now is 82.5 secs Computing kpt #: 111 total cpu time spent up to now is 83.0 secs Computing kpt #: 112 total cpu time spent up to now is 83.5 secs Computing kpt #: 113 total cpu time spent up to now is 84.0 secs Computing kpt #: 114 total cpu time spent up to now is 84.5 secs Computing kpt #: 115 total cpu time spent up to now is 85.0 secs Computing kpt #: 116 total cpu time spent up to now is 85.6 secs Computing kpt #: 117 total cpu time spent up to now is 86.1 secs Computing kpt #: 118 total cpu time spent up to now is 86.6 secs Computing kpt #: 119 total cpu time spent up to now is 87.2 secs Computing kpt #: 120 total cpu time spent up to now is 88.0 secs Computing kpt #: 121 total cpu time spent up to now is 88.7 secs Computing kpt #: 122 total cpu time spent up to now is 89.5 secs Computing kpt #: 123 total cpu time spent up to now is 90.2 secs Computing kpt #: 124 total cpu time spent up to now is 90.9 secs Computing kpt #: 125 total cpu time spent up to now is 91.9 secs Computing kpt #: 126 total cpu time spent up to now is 92.5 secs Computing kpt #: 127 total cpu time spent up to now is 93.2 secs Computing kpt #: 128 total cpu time spent up to now is 93.9 secs Computing kpt #: 129 total cpu time spent up to now is 94.5 secs Computing kpt #: 130 total cpu time spent up to now is 95.0 secs Computing kpt #: 131 total cpu time spent up to now is 95.6 secs Computing kpt #: 132 total cpu time spent up to now is 96.4 secs Computing kpt #: 133 total cpu time spent up to now is 97.0 secs Computing kpt #: 134 total cpu time spent up to now is 97.8 secs Computing kpt #: 135 total cpu time spent up to now is 98.6 secs Computing kpt #: 136 total cpu time spent up to now is 99.5 secs Computing kpt #: 137 total cpu time spent up to now is 100.1 secs Computing kpt #: 138 total cpu time spent up to now is 100.9 secs Computing kpt #: 139 total cpu time spent up to now is 101.8 secs Computing kpt #: 140 total cpu time spent up to now is 102.7 secs Computing kpt #: 141 total cpu time spent up to now is 103.8 secs Computing kpt #: 142 total cpu time spent up to now is 104.7 secs Computing kpt #: 143 total cpu time spent up to now is 105.3 secs Computing kpt #: 144 total cpu time spent up to now is 106.0 secs Computing kpt #: 145 total cpu time spent up to now is 107.1 secs Computing kpt #: 146 total cpu time spent up to now is 107.7 secs Computing kpt #: 147 total cpu time spent up to now is 108.4 secs Computing kpt #: 148 total cpu time spent up to now is 109.1 secs Computing kpt #: 149 total cpu time spent up to now is 109.7 secs Computing kpt #: 150 total cpu time spent up to now is 110.5 secs Computing kpt #: 151 total cpu time spent up to now is 111.1 secs Computing kpt #: 152 total cpu time spent up to now is 111.8 secs Computing kpt #: 153 total cpu time spent up to now is 112.4 secs Computing kpt #: 154 total cpu time spent up to now is 112.9 secs Computing kpt #: 155 total cpu time spent up to now is 113.4 secs Computing kpt #: 156 total cpu time spent up to now is 113.9 secs Computing kpt #: 157 total cpu time spent up to now is 114.4 secs Computing kpt #: 158 total cpu time spent up to now is 114.9 secs Computing kpt #: 159 total cpu time spent up to now is 115.5 secs Computing kpt #: 160 total cpu time spent up to now is 116.3 secs Computing kpt #: 161 total cpu time spent up to now is 117.0 secs Computing kpt #: 162 total cpu time spent up to now is 117.9 secs Computing kpt #: 163 total cpu time spent up to now is 118.7 secs Computing kpt #: 164 total cpu time spent up to now is 119.4 secs Computing kpt #: 165 total cpu time spent up to now is 120.1 secs Computing kpt #: 166 total cpu time spent up to now is 120.8 secs Computing kpt #: 167 total cpu time spent up to now is 121.6 secs Computing kpt #: 168 total cpu time spent up to now is 122.3 secs Computing kpt #: 169 total cpu time spent up to now is 122.9 secs Computing kpt #: 170 total cpu time spent up to now is 123.5 secs Computing kpt #: 171 total cpu time spent up to now is 124.2 secs Computing kpt #: 172 total cpu time spent up to now is 124.8 secs Computing kpt #: 173 total cpu time spent up to now is 125.3 secs Computing kpt #: 174 total cpu time spent up to now is 126.0 secs Computing kpt #: 175 total cpu time spent up to now is 126.6 secs Computing kpt #: 176 total cpu time spent up to now is 127.2 secs Computing kpt #: 177 total cpu time spent up to now is 127.8 secs Computing kpt #: 178 total cpu time spent up to now is 128.4 secs Computing kpt #: 179 total cpu time spent up to now is 129.3 secs Computing kpt #: 180 total cpu time spent up to now is 129.8 secs Computing kpt #: 181 total cpu time spent up to now is 130.3 secs Computing kpt #: 182 total cpu time spent up to now is 131.1 secs Computing kpt #: 183 total cpu time spent up to now is 131.8 secs Computing kpt #: 184 total cpu time spent up to now is 132.7 secs Computing kpt #: 185 total cpu time spent up to now is 133.5 secs Computing kpt #: 186 total cpu time spent up to now is 134.3 secs Computing kpt #: 187 total cpu time spent up to now is 135.0 secs Computing kpt #: 188 total cpu time spent up to now is 135.6 secs Computing kpt #: 189 total cpu time spent up to now is 136.3 secs Computing kpt #: 190 total cpu time spent up to now is 137.1 secs Computing kpt #: 191 total cpu time spent up to now is 138.2 secs Computing kpt #: 192 total cpu time spent up to now is 138.8 secs Computing kpt #: 193 total cpu time spent up to now is 139.3 secs Computing kpt #: 194 total cpu time spent up to now is 140.0 secs Computing kpt #: 195 total cpu time spent up to now is 140.6 secs Computing kpt #: 196 total cpu time spent up to now is 141.3 secs Computing kpt #: 197 total cpu time spent up to now is 142.0 secs Computing kpt #: 198 total cpu time spent up to now is 142.6 secs Computing kpt #: 199 total cpu time spent up to now is 143.1 secs Computing kpt #: 200 total cpu time spent up to now is 143.6 secs Computing kpt #: 201 total cpu time spent up to now is 144.1 secs Computing kpt #: 202 total cpu time spent up to now is 144.7 secs Computing kpt #: 203 total cpu time spent up to now is 145.2 secs Computing kpt #: 204 total cpu time spent up to now is 145.8 secs Computing kpt #: 205 total cpu time spent up to now is 146.4 secs Computing kpt #: 206 total cpu time spent up to now is 146.8 secs Computing kpt #: 207 total cpu time spent up to now is 147.7 secs Computing kpt #: 208 total cpu time spent up to now is 148.4 secs Computing kpt #: 209 total cpu time spent up to now is 149.2 secs Computing kpt #: 210 total cpu time spent up to now is 150.0 secs Computing kpt #: 211 total cpu time spent up to now is 150.7 secs Computing kpt #: 212 total cpu time spent up to now is 151.7 secs Computing kpt #: 213 total cpu time spent up to now is 152.4 secs Computing kpt #: 214 total cpu time spent up to now is 153.0 secs Computing kpt #: 215 total cpu time spent up to now is 153.7 secs Computing kpt #: 216 total cpu time spent up to now is 154.3 secs Computing kpt #: 217 total cpu time spent up to now is 154.9 secs Computing kpt #: 218 total cpu time spent up to now is 155.4 secs Computing kpt #: 219 total cpu time spent up to now is 156.2 secs Computing kpt #: 220 total cpu time spent up to now is 156.8 secs Computing kpt #: 221 total cpu time spent up to now is 157.5 secs Computing kpt #: 222 total cpu time spent up to now is 158.1 secs Computing kpt #: 223 total cpu time spent up to now is 159.0 secs Computing kpt #: 224 total cpu time spent up to now is 159.7 secs Computing kpt #: 225 total cpu time spent up to now is 160.3 secs Computing kpt #: 226 total cpu time spent up to now is 161.2 secs Computing kpt #: 227 total cpu time spent up to now is 162.1 secs Computing kpt #: 228 total cpu time spent up to now is 163.0 secs Computing kpt #: 229 total cpu time spent up to now is 164.1 secs Computing kpt #: 230 total cpu time spent up to now is 165.0 secs Computing kpt #: 231 total cpu time spent up to now is 165.7 secs Computing kpt #: 232 total cpu time spent up to now is 166.7 secs Computing kpt #: 233 total cpu time spent up to now is 167.6 secs Computing kpt #: 234 total cpu time spent up to now is 168.3 secs Computing kpt #: 235 total cpu time spent up to now is 169.0 secs Computing kpt #: 236 total cpu time spent up to now is 169.7 secs Computing kpt #: 237 total cpu time spent up to now is 170.5 secs Computing kpt #: 238 total cpu time spent up to now is 171.2 secs Computing kpt #: 239 total cpu time spent up to now is 171.9 secs Computing kpt #: 240 total cpu time spent up to now is 172.5 secs Computing kpt #: 241 total cpu time spent up to now is 173.0 secs Computing kpt #: 242 total cpu time spent up to now is 173.4 secs Computing kpt #: 243 total cpu time spent up to now is 173.9 secs Computing kpt #: 244 total cpu time spent up to now is 174.4 secs Computing kpt #: 245 total cpu time spent up to now is 174.9 secs Computing kpt #: 246 total cpu time spent up to now is 175.3 secs Computing kpt #: 247 total cpu time spent up to now is 176.0 secs Computing kpt #: 248 total cpu time spent up to now is 176.5 secs Computing kpt #: 249 total cpu time spent up to now is 176.9 secs Computing kpt #: 250 total cpu time spent up to now is 177.8 secs Computing kpt #: 251 total cpu time spent up to now is 178.6 secs Computing kpt #: 252 total cpu time spent up to now is 179.3 secs Computing kpt #: 253 total cpu time spent up to now is 180.1 secs Computing kpt #: 254 total cpu time spent up to now is 180.8 secs Computing kpt #: 255 total cpu time spent up to now is 181.6 secs Computing kpt #: 256 total cpu time spent up to now is 182.3 secs Computing kpt #: 257 total cpu time spent up to now is 182.9 secs Computing kpt #: 258 total cpu time spent up to now is 183.6 secs Computing kpt #: 259 total cpu time spent up to now is 184.3 secs Computing kpt #: 260 total cpu time spent up to now is 184.8 secs Computing kpt #: 261 total cpu time spent up to now is 185.3 secs Computing kpt #: 262 total cpu time spent up to now is 186.2 secs Computing kpt #: 263 total cpu time spent up to now is 186.9 secs Computing kpt #: 264 total cpu time spent up to now is 187.6 secs Computing kpt #: 265 total cpu time spent up to now is 188.3 secs Computing kpt #: 266 total cpu time spent up to now is 189.4 secs Computing kpt #: 267 total cpu time spent up to now is 190.1 secs Computing kpt #: 268 total cpu time spent up to now is 191.0 secs Computing kpt #: 269 total cpu time spent up to now is 192.2 secs Computing kpt #: 270 total cpu time spent up to now is 193.2 secs Computing kpt #: 271 total cpu time spent up to now is 194.3 secs Computing kpt #: 272 total cpu time spent up to now is 195.2 secs Computing kpt #: 273 total cpu time spent up to now is 195.9 secs Computing kpt #: 274 total cpu time spent up to now is 197.3 secs Computing kpt #: 275 total cpu time spent up to now is 198.3 secs Computing kpt #: 276 total cpu time spent up to now is 199.0 secs Computing kpt #: 277 total cpu time spent up to now is 199.8 secs Computing kpt #: 278 total cpu time spent up to now is 200.6 secs Computing kpt #: 279 total cpu time spent up to now is 201.4 secs Computing kpt #: 280 total cpu time spent up to now is 202.1 secs Computing kpt #: 281 total cpu time spent up to now is 202.7 secs Computing kpt #: 282 total cpu time spent up to now is 203.3 secs Computing kpt #: 283 total cpu time spent up to now is 203.8 secs Computing kpt #: 284 total cpu time spent up to now is 204.5 secs Computing kpt #: 285 total cpu time spent up to now is 205.0 secs Computing kpt #: 286 total cpu time spent up to now is 205.7 secs Computing kpt #: 287 total cpu time spent up to now is 206.3 secs Computing kpt #: 288 total cpu time spent up to now is 206.8 secs Computing kpt #: 289 total cpu time spent up to now is 207.8 secs Computing kpt #: 290 total cpu time spent up to now is 208.9 secs Computing kpt #: 291 total cpu time spent up to now is 210.1 secs Computing kpt #: 292 total cpu time spent up to now is 211.1 secs Computing kpt #: 293 total cpu time spent up to now is 212.1 secs Computing kpt #: 294 total cpu time spent up to now is 212.8 secs Computing kpt #: 295 total cpu time spent up to now is 213.5 secs Computing kpt #: 296 total cpu time spent up to now is 214.1 secs Computing kpt #: 297 total cpu time spent up to now is 214.7 secs Computing kpt #: 298 total cpu time spent up to now is 215.2 secs Computing kpt #: 299 total cpu time spent up to now is 216.0 secs Computing kpt #: 300 total cpu time spent up to now is 216.6 secs Computing kpt #: 301 total cpu time spent up to now is 217.4 secs Computing kpt #: 302 total cpu time spent up to now is 218.0 secs Computing kpt #: 303 total cpu time spent up to now is 219.0 secs Computing kpt #: 304 total cpu time spent up to now is 219.8 secs Computing kpt #: 305 total cpu time spent up to now is 220.5 secs Computing kpt #: 306 total cpu time spent up to now is 221.5 secs Computing kpt #: 307 total cpu time spent up to now is 222.5 secs Computing kpt #: 308 total cpu time spent up to now is 223.6 secs Computing kpt #: 309 total cpu time spent up to now is 224.8 secs Computing kpt #: 310 total cpu time spent up to now is 225.5 secs Computing kpt #: 311 total cpu time spent up to now is 226.4 secs Computing kpt #: 312 total cpu time spent up to now is 227.3 secs Computing kpt #: 313 total cpu time spent up to now is 228.1 secs Computing kpt #: 314 total cpu time spent up to now is 228.8 secs Computing kpt #: 315 total cpu time spent up to now is 229.4 secs Computing kpt #: 316 total cpu time spent up to now is 230.1 secs Computing kpt #: 317 total cpu time spent up to now is 230.9 secs Computing kpt #: 318 total cpu time spent up to now is 231.5 secs Computing kpt #: 319 total cpu time spent up to now is 232.2 secs Computing kpt #: 320 total cpu time spent up to now is 232.8 secs Computing kpt #: 321 total cpu time spent up to now is 233.2 secs Computing kpt #: 322 total cpu time spent up to now is 233.7 secs Computing kpt #: 323 total cpu time spent up to now is 234.2 secs Computing kpt #: 324 total cpu time spent up to now is 234.7 secs Computing kpt #: 325 total cpu time spent up to now is 235.2 secs Computing kpt #: 326 total cpu time spent up to now is 235.8 secs Computing kpt #: 327 total cpu time spent up to now is 236.3 secs Computing kpt #: 328 total cpu time spent up to now is 236.8 secs Computing kpt #: 329 total cpu time spent up to now is 237.4 secs Computing kpt #: 330 total cpu time spent up to now is 238.2 secs Computing kpt #: 331 total cpu time spent up to now is 238.9 secs Computing kpt #: 332 total cpu time spent up to now is 239.8 secs Computing kpt #: 333 total cpu time spent up to now is 240.5 secs Computing kpt #: 334 total cpu time spent up to now is 241.2 secs Computing kpt #: 335 total cpu time spent up to now is 242.0 secs Computing kpt #: 336 total cpu time spent up to now is 242.7 secs Computing kpt #: 337 total cpu time spent up to now is 243.3 secs Computing kpt #: 338 total cpu time spent up to now is 244.0 secs Computing kpt #: 339 total cpu time spent up to now is 244.5 secs Computing kpt #: 340 total cpu time spent up to now is 245.1 secs Computing kpt #: 341 total cpu time spent up to now is 245.7 secs Computing kpt #: 342 total cpu time spent up to now is 246.5 secs Computing kpt #: 343 total cpu time spent up to now is 247.2 secs Computing kpt #: 344 total cpu time spent up to now is 248.0 secs Computing kpt #: 345 total cpu time spent up to now is 249.3 secs Computing kpt #: 346 total cpu time spent up to now is 250.1 secs Computing kpt #: 347 total cpu time spent up to now is 251.3 secs Computing kpt #: 348 total cpu time spent up to now is 252.5 secs Computing kpt #: 349 total cpu time spent up to now is 253.8 secs Computing kpt #: 350 total cpu time spent up to now is 254.9 secs Computing kpt #: 351 total cpu time spent up to now is 255.8 secs Computing kpt #: 352 total cpu time spent up to now is 257.1 secs Computing kpt #: 353 total cpu time spent up to now is 257.9 secs Computing kpt #: 354 total cpu time spent up to now is 258.8 secs Computing kpt #: 355 total cpu time spent up to now is 259.6 secs Computing kpt #: 356 total cpu time spent up to now is 260.6 secs Computing kpt #: 357 total cpu time spent up to now is 261.5 secs Computing kpt #: 358 total cpu time spent up to now is 262.4 secs Computing kpt #: 359 total cpu time spent up to now is 263.2 secs Computing kpt #: 360 total cpu time spent up to now is 263.9 secs Computing kpt #: 361 total cpu time spent up to now is 264.6 secs Computing kpt #: 362 total cpu time spent up to now is 265.3 secs Computing kpt #: 363 total cpu time spent up to now is 266.3 secs Computing kpt #: 364 total cpu time spent up to now is 267.3 secs Computing kpt #: 365 total cpu time spent up to now is 268.5 secs Computing kpt #: 366 total cpu time spent up to now is 269.6 secs Computing kpt #: 367 total cpu time spent up to now is 270.4 secs Computing kpt #: 368 total cpu time spent up to now is 271.5 secs Computing kpt #: 369 total cpu time spent up to now is 272.3 secs Computing kpt #: 370 total cpu time spent up to now is 273.0 secs Computing kpt #: 371 total cpu time spent up to now is 273.7 secs Computing kpt #: 372 total cpu time spent up to now is 274.4 secs Computing kpt #: 373 total cpu time spent up to now is 275.0 secs Computing kpt #: 374 total cpu time spent up to now is 275.6 secs Computing kpt #: 375 total cpu time spent up to now is 276.4 secs Computing kpt #: 376 total cpu time spent up to now is 277.0 secs Computing kpt #: 377 total cpu time spent up to now is 277.7 secs Computing kpt #: 378 total cpu time spent up to now is 278.4 secs Computing kpt #: 379 total cpu time spent up to now is 279.4 secs Computing kpt #: 380 total cpu time spent up to now is 280.0 secs Computing kpt #: 381 total cpu time spent up to now is 280.7 secs Computing kpt #: 382 total cpu time spent up to now is 281.7 secs Computing kpt #: 383 total cpu time spent up to now is 282.6 secs Computing kpt #: 384 total cpu time spent up to now is 283.7 secs Computing kpt #: 385 total cpu time spent up to now is 284.8 secs Computing kpt #: 386 total cpu time spent up to now is 285.5 secs Computing kpt #: 387 total cpu time spent up to now is 286.5 secs Computing kpt #: 388 total cpu time spent up to now is 287.5 secs Computing kpt #: 389 total cpu time spent up to now is 288.2 secs Computing kpt #: 390 total cpu time spent up to now is 288.9 secs Computing kpt #: 391 total cpu time spent up to now is 289.6 secs Computing kpt #: 392 total cpu time spent up to now is 290.4 secs Computing kpt #: 393 total cpu time spent up to now is 291.0 secs Computing kpt #: 394 total cpu time spent up to now is 291.7 secs Computing kpt #: 395 total cpu time spent up to now is 292.3 secs Computing kpt #: 396 total cpu time spent up to now is 292.8 secs Computing kpt #: 397 total cpu time spent up to now is 293.3 secs Computing kpt #: 398 total cpu time spent up to now is 293.7 secs Computing kpt #: 399 total cpu time spent up to now is 294.2 secs Computing kpt #: 400 total cpu time spent up to now is 294.7 secs Computing kpt #: 401 total cpu time spent up to now is 295.3 secs Computing kpt #: 402 total cpu time spent up to now is 295.9 secs Computing kpt #: 403 total cpu time spent up to now is 296.5 secs Computing kpt #: 404 total cpu time spent up to now is 297.2 secs Computing kpt #: 405 total cpu time spent up to now is 298.3 secs Computing kpt #: 406 total cpu time spent up to now is 299.3 secs Computing kpt #: 407 total cpu time spent up to now is 300.4 secs Computing kpt #: 408 total cpu time spent up to now is 301.5 secs Computing kpt #: 409 total cpu time spent up to now is 302.4 secs Computing kpt #: 410 total cpu time spent up to now is 303.2 secs Computing kpt #: 411 total cpu time spent up to now is 304.0 secs Computing kpt #: 412 total cpu time spent up to now is 304.7 secs Computing kpt #: 413 total cpu time spent up to now is 305.3 secs Computing kpt #: 414 total cpu time spent up to now is 306.3 secs Computing kpt #: 415 total cpu time spent up to now is 307.1 secs Computing kpt #: 416 total cpu time spent up to now is 307.9 secs Computing kpt #: 417 total cpu time spent up to now is 308.7 secs Computing kpt #: 418 total cpu time spent up to now is 309.6 secs Computing kpt #: 419 total cpu time spent up to now is 310.2 secs Computing kpt #: 420 total cpu time spent up to now is 311.1 secs Computing kpt #: 421 total cpu time spent up to now is 312.0 secs Computing kpt #: 422 total cpu time spent up to now is 312.9 secs Computing kpt #: 423 total cpu time spent up to now is 313.9 secs Computing kpt #: 424 total cpu time spent up to now is 314.9 secs Computing kpt #: 425 total cpu time spent up to now is 315.5 secs Computing kpt #: 426 total cpu time spent up to now is 316.5 secs Computing kpt #: 427 total cpu time spent up to now is 317.3 secs Computing kpt #: 428 total cpu time spent up to now is 318.0 secs Computing kpt #: 429 total cpu time spent up to now is 318.6 secs Computing kpt #: 430 total cpu time spent up to now is 319.2 secs Computing kpt #: 431 total cpu time spent up to now is 319.9 secs Computing kpt #: 432 total cpu time spent up to now is 320.6 secs Computing kpt #: 433 total cpu time spent up to now is 321.3 secs Computing kpt #: 434 total cpu time spent up to now is 322.0 secs Computing kpt #: 435 total cpu time spent up to now is 322.6 secs Computing kpt #: 436 total cpu time spent up to now is 323.0 secs Computing kpt #: 437 total cpu time spent up to now is 323.5 secs Computing kpt #: 438 total cpu time spent up to now is 324.0 secs Computing kpt #: 439 total cpu time spent up to now is 324.4 secs Computing kpt #: 440 total cpu time spent up to now is 324.9 secs Computing kpt #: 441 total cpu time spent up to now is 325.4 secs Computing kpt #: 442 total cpu time spent up to now is 326.0 secs Computing kpt #: 443 total cpu time spent up to now is 326.4 secs Computing kpt #: 444 total cpu time spent up to now is 326.9 secs Computing kpt #: 445 total cpu time spent up to now is 327.7 secs Computing kpt #: 446 total cpu time spent up to now is 328.5 secs Computing kpt #: 447 total cpu time spent up to now is 329.1 secs Computing kpt #: 448 total cpu time spent up to now is 330.0 secs Computing kpt #: 449 total cpu time spent up to now is 330.6 secs Computing kpt #: 450 total cpu time spent up to now is 331.5 secs Computing kpt #: 451 total cpu time spent up to now is 332.2 secs Computing kpt #: 452 total cpu time spent up to now is 332.8 secs Computing kpt #: 453 total cpu time spent up to now is 333.4 secs Computing kpt #: 454 total cpu time spent up to now is 334.1 secs Computing kpt #: 455 total cpu time spent up to now is 334.6 secs Computing kpt #: 456 total cpu time spent up to now is 335.1 secs Computing kpt #: 457 total cpu time spent up to now is 335.8 secs Computing kpt #: 458 total cpu time spent up to now is 336.5 secs Computing kpt #: 459 total cpu time spent up to now is 337.2 secs Computing kpt #: 460 total cpu time spent up to now is 337.9 secs Computing kpt #: 461 total cpu time spent up to now is 338.6 secs Computing kpt #: 462 total cpu time spent up to now is 339.5 secs Computing kpt #: 463 total cpu time spent up to now is 340.0 secs Computing kpt #: 464 total cpu time spent up to now is 340.8 secs ethr = 2.94E-11, avg # of iterations = 27.9 total cpu time spent up to now is 340.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3105 PWs) bands (ev): -4.0633 -4.0633 -2.9767 -2.9767 2.0854 2.0854 2.9432 2.9432 3.1062 3.1062 3.9342 3.9342 4.0853 4.0853 4.3997 4.3997 5.8934 5.8934 6.1969 6.1969 6.5412 6.5412 6.6675 6.6675 6.8585 6.8585 7.3205 7.3205 8.3519 8.3519 9.8459 9.8459 11.0389 11.0389 11.4042 11.4042 12.4587 12.4587 13.0556 13.0556 13.2407 13.2407 k = 0.0098-0.0000-0.0000 ( 3101 PWs) bands (ev): -4.0620 -4.0619 -2.9757 -2.9755 2.0858 2.0873 2.9439 2.9440 3.1065 3.1066 3.9307 3.9367 4.0817 4.0892 4.3934 4.4052 5.8936 5.8938 6.1946 6.1997 6.5405 6.5419 6.6639 6.6705 6.8537 6.8572 7.3227 7.3261 8.3534 8.3535 9.8465 9.8465 11.0348 11.0381 11.3920 11.3956 12.4584 12.4595 13.0354 13.0408 13.2428 13.2429 k = 0.0196-0.0000-0.0000 ( 3109 PWs) bands (ev): -4.0580 -4.0578 -2.9725 -2.9720 2.0887 2.0917 2.9462 2.9464 3.1076 3.1078 3.9258 3.9378 4.0781 4.0932 4.3863 4.4099 5.8941 5.8944 6.1927 6.2027 6.5395 6.5423 6.6596 6.6729 6.8432 6.8498 7.3323 7.3387 8.3580 8.3581 9.8484 9.8485 11.0243 11.0314 11.3605 11.3682 12.4584 12.4610 12.9816 12.9924 13.2494 13.2495 k = 0.0294-0.0000-0.0000 ( 3105 PWs) bands (ev): -4.0513 -4.0510 -2.9670 -2.9662 2.0939 2.0984 2.9500 2.9502 3.1095 3.1098 3.9200 3.9378 4.0745 4.0976 4.3785 4.4140 5.8950 5.8955 6.1911 6.2061 6.5385 6.5425 6.6546 6.6748 6.8281 6.8368 7.3489 7.3577 8.3656 8.3658 9.8516 9.8517 11.0026 11.0145 11.3156 11.3283 12.4574 12.4624 12.8983 12.9150 13.2602 13.2606 k = 0.0392-0.0000-0.0000 ( 3105 PWs) bands (ev): -4.0420 -4.0416 -2.9592 -2.9582 2.1015 2.1075 2.9553 2.9555 3.1120 3.1127 3.9131 3.9366 4.0709 4.1023 4.3698 4.4175 5.8962 5.8970 6.1899 6.2099 6.5372 6.5422 6.6489 6.6762 6.8099 6.8194 7.3713 7.3819 8.3761 8.3764 9.8560 9.8562 10.9613 10.9782 11.2682 11.2864 12.4524 12.4612 12.7923 12.8161 13.2756 13.2763 k = 0.0490-0.0000-0.0000 ( 3101 PWs) bands (ev): -4.0300 -4.0295 -2.9493 -2.9480 2.1114 2.1190 2.9621 2.9621 3.1153 3.1164 3.9052 3.9343 4.0670 4.1072 4.3604 4.4205 5.8978 5.8989 6.1891 6.2138 6.5356 6.5413 6.6422 6.6771 6.7897 6.7985 7.3986 7.4103 8.3896 8.3900 9.8616 9.8620 10.8915 10.9114 11.2321 11.2541 12.4346 12.4495 12.6764 12.7093 13.2955 13.2966 k = 0.0588-0.0000-0.0000 ( 3105 PWs) bands (ev): -4.0154 -4.0148 -2.9371 -2.9356 2.1235 2.1327 2.9700 2.9704 3.1192 3.1211 3.8962 3.9308 4.0628 4.1124 4.3503 4.4232 5.8996 5.9012 6.1885 6.2180 6.5337 6.5396 6.6344 6.6778 6.7690 6.7751 7.4297 7.4421 8.4059 8.4063 9.8684 9.8689 10.7908 10.8112 11.2125 11.2364 12.3807 12.3966 12.5859 12.6229 13.3201 13.3215 k = 0.0686-0.0000-0.0000 ( 3103 PWs) bands (ev): -3.9980 -3.9974 -2.9227 -2.9210 2.1378 2.1488 2.9792 2.9802 3.1238 3.1268 3.8865 3.9263 4.0583 4.1178 4.3397 4.4256 5.9017 5.9038 6.1882 6.2223 6.5312 6.5367 6.6251 6.6781 6.7492 6.7502 7.4641 7.4766 8.4248 8.4253 9.8762 9.8769 10.6644 10.6841 11.2054 11.2305 12.2696 12.2731 12.5545 12.5825 13.3494 13.3511 k = 0.0784-0.0000-0.0000 ( 3105 PWs) bands (ev): -3.9781 -3.9773 -2.9062 -2.9042 2.1542 2.1669 2.9894 2.9914 3.1291 3.1336 3.8758 3.9207 4.0533 4.1231 4.3287 4.4279 5.9040 5.9067 6.1881 6.2265 6.5280 6.5325 6.6137 6.6780 6.7246 6.7315 7.5009 7.5134 8.4463 8.4468 9.8848 9.8859 10.5191 10.5376 11.2045 11.2318 12.1127 12.1213 12.5525 12.5729 13.3833 13.3854 k = 0.0882-0.0000-0.0000 ( 3105 PWs) bands (ev): -3.9555 -3.9547 -2.8874 -2.8852 2.1726 2.1872 3.0006 3.0040 3.1350 3.1415 3.8643 3.9142 4.0478 4.1284 4.3176 4.4303 5.9065 5.9098 6.1881 6.2307 6.5240 6.5265 6.5999 6.6763 6.7001 6.7172 7.5399 7.5521 8.4701 8.4706 9.8940 9.8957 10.3603 10.3776 11.2042 11.2360 11.9399 11.9591 12.5602 12.5761 13.4219 13.4243 k = 0.0980-0.0000-0.0000 ( 3109 PWs) bands (ev): -3.9303 -3.9294 -2.8666 -2.8641 2.1929 2.2094 3.0127 3.0179 3.1414 3.1506 3.8520 3.9069 4.0417 4.1334 4.3066 4.4327 5.9090 5.9133 6.1881 6.2347 6.5185 6.5188 6.5837 6.6642 6.6860 6.7067 7.5807 7.5924 8.4959 8.4964 9.9027 9.9058 10.1929 10.2083 11.1975 11.2373 11.7664 11.7975 12.5722 12.5854 13.4650 13.4678 k = 0.1078-0.0000-0.0000 ( 3111 PWs) bands (ev): -3.9026 -3.9015 -2.8436 -2.8409 2.2150 2.2336 3.0254 3.0332 3.1485 3.1612 3.8390 3.8988 4.0351 4.1378 4.2961 4.4355 5.9115 5.9169 6.1882 6.2384 6.5081 6.5124 6.5659 6.6404 6.6841 6.7001 7.6230 7.6341 8.5235 8.5239 9.9040 9.9138 10.0266 10.0350 11.1710 11.2226 11.6079 11.6534 12.5869 12.5983 13.5126 13.5157 k = 0.1176-0.0000-0.0000 ( 3107 PWs) bands (ev): -3.8722 -3.8711 -2.8186 -2.8157 2.2387 2.2595 3.0385 3.0496 3.1561 3.1733 3.8253 3.8900 4.0278 4.1414 4.2864 4.4385 5.9140 5.9206 6.1882 6.2415 6.4951 6.5044 6.5477 6.6150 6.6848 6.6968 7.6667 7.6770 8.5525 8.5527 9.8141 9.8404 9.9390 9.9474 11.1032 11.1614 11.4969 11.5510 12.6038 12.6138 13.5646 13.5680 k = 0.1275-0.0000-0.0000 ( 3113 PWs) bands (ev): -3.8393 -3.8381 -2.7915 -2.7884 2.2640 2.2870 3.0518 3.0671 3.1642 3.1870 3.8109 3.8805 4.0199 4.1437 4.2781 4.4419 5.9163 5.9245 6.1880 6.2440 6.4791 6.4945 6.5300 6.5902 6.6861 6.6959 7.7114 7.7209 8.5818 8.5820 9.6402 9.6623 9.9456 9.9502 10.9829 11.0329 11.4559 11.5034 12.6225 12.6315 13.6209 13.6245 k = 0.1373-0.0000-0.0000 ( 3121 PWs) bands (ev): -3.8039 -3.8026 -2.7624 -2.7591 2.2905 2.3159 3.0652 3.0855 3.1728 3.2024 3.7959 3.8705 4.0114 4.1443 4.2715 4.4458 5.9183 5.9284 6.1875 6.2454 6.4607 6.4825 6.5132 6.5664 6.6880 6.6969 7.7570 7.7656 8.6103 8.6111 9.4602 9.4808 9.9549 9.9587 10.8275 10.8664 11.4577 11.4953 12.6429 12.6511 13.6814 13.6853 k = 0.1471-0.0000-0.0000 ( 3129 PWs) bands (ev): -3.7660 -3.7646 -2.7314 -2.7278 2.3182 2.3461 3.0784 3.1048 3.1819 3.2197 3.7805 3.8600 4.0024 4.1432 4.2671 4.4502 5.9200 5.9323 6.1866 6.2456 6.4408 6.4682 6.4972 6.5438 6.6901 6.6994 7.8031 7.8108 8.6355 8.6375 9.2833 9.3028 9.9614 9.9656 10.6586 10.6894 11.4778 11.5085 12.6648 12.6724 13.7460 13.7502 k = 0.1569-0.0000-0.0000 ( 3129 PWs) bands (ev): -3.7256 -3.7242 -2.6985 -2.6947 2.3468 2.3774 3.0914 3.1248 3.1916 3.2389 3.7647 3.8491 3.9930 4.1401 4.2651 4.4551 5.9214 5.9362 6.1853 6.2441 6.4202 6.4518 6.4817 6.5223 6.6927 6.7029 7.8495 7.8561 8.6517 8.6563 9.1173 9.1348 9.9599 9.9656 10.4917 10.5165 11.5067 11.5331 12.6882 12.6953 13.8146 13.8190 k = 0.1667-0.0000-0.0000 ( 3117 PWs) bands (ev): -3.6828 -3.6813 -2.6637 -2.6597 2.3762 2.4095 3.1040 3.1454 3.2017 3.2599 3.7486 3.8381 3.9832 4.1355 4.2653 4.4605 5.9222 5.9401 6.1835 6.2406 6.4001 6.4337 6.4662 6.5016 6.6954 6.7072 7.8952 7.9007 8.6435 8.6535 8.9790 8.9921 9.9386 9.9485 10.3440 10.3624 11.5412 11.5649 12.7130 12.7198 13.8871 13.8917 k = 0.1765-0.0000-0.0000 ( 3107 PWs) bands (ev): -3.6377 -3.6361 -2.6272 -2.6230 2.4060 2.4423 3.1163 3.1663 3.2122 3.2824 3.7322 3.8267 3.9732 4.1296 4.2674 4.4663 5.9223 5.9438 6.1811 6.2343 6.3809 6.4142 6.4507 6.4809 6.6983 6.7120 7.9384 7.9426 8.5820 8.6001 8.8992 8.9056 9.8753 9.8928 10.2412 10.2513 11.5798 11.6018 12.7390 12.7456 13.9633 13.9682 k = 0.1863-0.0000-0.0000 ( 3123 PWs) bands (ev): -3.5901 -3.5885 -2.5890 -2.5845 2.4361 2.4753 3.1281 3.1870 3.2231 3.3064 3.7157 3.8152 3.9628 4.1229 4.2709 4.4726 5.9214 5.9473 6.1776 6.2249 6.3631 6.3939 6.4348 6.4593 6.7010 6.7169 7.9749 7.9778 8.4710 8.4938 8.8774 8.8811 9.7613 9.7861 10.1951 10.1987 11.6217 11.6426 12.7662 12.7726 14.0432 14.0483 k = 0.1961-0.0000-0.0000 ( 3119 PWs) bands (ev): -3.5403 -3.5387 -2.5491 -2.5445 2.4661 2.5084 3.1396 3.2073 3.2348 3.3315 3.6992 3.8036 3.9524 4.1161 4.2757 4.4793 5.9196 5.9506 6.1733 6.2119 6.3468 6.3734 6.4190 6.4362 6.7034 6.7219 7.9925 7.9950 8.3567 8.3802 8.8773 8.8821 9.6214 9.6514 10.1851 10.1858 11.6665 11.6868 12.7941 12.8006 14.1266 14.1320 k = 0.2059-0.0000-0.0000 ( 3111 PWs) bands (ev): -3.4883 -3.4866 -2.5077 -2.5029 2.4958 2.5413 3.1508 3.2266 3.2475 3.3575 3.6828 3.7921 3.9420 4.1091 4.2815 4.4865 5.9164 5.9538 6.1680 6.1953 6.3319 6.3529 6.4031 6.4108 6.7055 6.7268 7.9637 7.9690 8.2862 8.3060 8.8742 8.8816 9.4826 9.5174 10.1907 10.1915 11.7140 11.7340 12.8226 12.8294 14.2133 14.2192 k = 0.2157-0.0000-0.0000 ( 3115 PWs) bands (ev): -3.4341 -3.4323 -2.4648 -2.4599 2.5248 2.5737 3.1616 3.2438 3.2617 3.3839 3.6666 3.7806 3.9316 4.1021 4.2884 4.4940 5.9114 5.9565 6.1611 6.1752 6.3179 6.3326 6.3823 6.3871 6.7070 6.7313 7.8757 7.8857 8.2799 8.2937 8.8505 8.8604 9.3661 9.4053 10.2038 10.2053 11.7639 11.7839 12.8511 12.8583 14.3024 14.3097 k = 0.2255-0.0000-0.0000 ( 3109 PWs) bands (ev): -3.3777 -3.3759 -2.4207 -2.4155 2.5530 2.6051 3.1721 3.2586 3.2778 3.4106 3.6508 3.7693 3.9214 4.0950 4.2963 4.5019 5.9040 5.9590 6.1519 6.1527 6.3041 6.3124 6.3505 6.3712 6.7077 6.7353 7.7595 7.7717 8.3107 8.3205 8.7917 8.8008 9.2912 9.3316 10.2210 10.2230 11.8161 11.8362 12.8787 12.8868 14.3643 14.4003 k = 0.2353-0.0000-0.0000 ( 3107 PWs) bands (ev): -3.3194 -3.3175 -2.3753 -2.3700 2.5799 2.6354 3.1823 3.2716 3.2947 3.4368 3.6355 3.7582 3.9113 4.0871 4.3058 4.5101 5.8934 5.9611 6.1262 6.1420 6.2903 6.2917 6.3157 6.3554 6.7073 6.7385 7.6398 7.6520 8.3563 8.3637 8.6963 8.7008 9.2607 9.2988 10.2403 10.2429 11.8704 11.8908 12.9043 12.9137 14.2037 14.2235 k = 0.2451-0.0000-0.0000 ( 3107 PWs) bands (ev): -3.2590 -3.2572 -2.3288 -2.3233 2.6054 2.6641 3.1921 3.2837 3.3112 3.4621 3.6209 3.7476 3.9014 4.0778 4.3171 4.5188 5.8780 5.9627 6.0989 6.1281 6.2655 6.2763 6.2830 6.3394 6.7055 6.7406 7.5269 7.5375 8.4070 8.4129 8.5769 8.5786 9.2598 9.2948 10.2607 10.2639 11.9268 11.9476 12.9259 12.9371 14.0393 14.0579 k = 0.2549-0.0000-0.0000 ( 3101 PWs) bands (ev): -3.1968 -3.1949 -2.2814 -2.2758 2.6291 2.6910 3.2015 3.2951 3.3269 3.4859 3.6071 3.7375 3.8916 4.0661 4.3308 4.5280 5.8563 5.9638 6.0717 6.1091 6.2275 6.2605 6.2622 6.3230 6.7020 6.7413 7.4254 7.4332 8.4216 8.4226 8.4878 8.4892 9.2734 9.3061 10.2816 10.2854 11.9851 12.0063 12.9401 12.9542 13.8909 13.9077 k = 0.2647-0.0000-0.0000 ( 3097 PWs) bands (ev): -3.1328 -3.1309 -2.2332 -2.2275 2.6508 2.7157 3.2105 3.3059 3.3415 3.5072 3.5947 3.7280 3.8816 4.0511 4.3473 4.5378 5.8263 5.9640 6.0465 6.0817 6.1878 6.2416 6.2482 6.3058 6.6967 6.7403 7.3375 7.3414 8.2948 8.3047 8.5341 8.5357 9.2929 9.3242 10.3024 10.3069 12.0451 12.0669 12.9422 12.9605 13.7647 13.7784 k = 0.2745-0.0000-0.0000 ( 3093 PWs) bands (ev): -3.0672 -3.0653 -2.1845 -2.1786 2.6703 2.7380 3.2189 3.3161 3.3549 3.5241 3.5851 3.7193 3.8711 4.0317 4.3669 4.5483 5.7872 5.9625 6.0249 6.0426 6.1538 6.2239 6.2345 6.2876 6.6891 6.7373 7.2633 7.2641 8.1617 8.1763 8.5944 8.5955 9.3135 9.3440 10.3226 10.3278 12.1067 12.1291 12.9263 12.9500 13.6679 13.6770 k = 0.2843-0.0000-0.0000 ( 3089 PWs) bands (ev): -3.0000 -2.9981 -2.1353 -2.1293 2.6874 2.7576 3.2267 3.3255 3.3671 3.5325 3.5822 3.7115 3.8596 4.0071 4.3895 4.5597 5.7396 5.9539 5.9981 6.0075 6.1263 6.2071 6.2213 6.2682 6.6793 6.7322 7.1988 7.2049 8.0341 8.0529 8.6575 8.6579 9.3323 9.3626 10.3418 10.3479 12.1697 12.1928 12.8879 12.9173 13.6060 13.6100 k = 0.2941-0.0000-0.0000 ( 3087 PWs) bands (ev): -2.9314 -2.9295 -2.0860 -2.0799 2.7019 2.7744 3.2339 3.3338 3.3784 3.5291 3.5886 3.7046 3.8464 3.9766 4.4149 4.5720 5.6857 5.9151 5.9757 5.9937 6.1026 6.1910 6.2083 6.2477 6.6674 6.7248 7.1472 7.1588 7.9147 7.9370 8.7219 8.7222 9.3472 9.3775 10.3596 10.3667 12.2340 12.2576 12.8284 12.8625 13.5785 13.5789 k = 0.3039-0.0000-0.0000 ( 3073 PWs) bands (ev): -2.8615 -2.8597 -2.0367 -2.0305 2.7138 2.7883 3.2405 3.3410 3.3888 3.5178 3.6002 3.6987 3.8311 3.9401 4.4424 4.5851 5.6286 5.8565 5.9698 5.9829 6.0805 6.1759 6.1951 6.2269 6.6537 6.7154 7.1070 7.1243 7.8052 7.8304 8.7872 8.7883 9.3567 9.3871 10.3755 10.3837 12.2991 12.3233 12.7554 12.7926 13.5770 13.5804 k = 0.3137-0.0000-0.0000 ( 3077 PWs) bands (ev): -2.7905 -2.7887 -1.9877 -1.9815 2.7230 2.7990 3.2464 3.3467 3.3984 3.5021 3.6128 3.6936 3.8133 3.8977 4.4710 4.5988 5.5711 5.7959 5.9654 5.9742 6.0590 6.1617 6.1802 6.2070 6.6384 6.7041 7.0760 7.0993 7.7069 7.7340 8.8536 8.8553 9.3592 9.3898 10.3892 10.3985 12.3646 12.3893 12.6783 12.7171 13.5974 13.6025 k = 0.3235-0.0000-0.0000 ( 3075 PWs) bands (ev): -2.7186 -2.7169 -1.9393 -1.9331 2.7295 2.8068 3.2517 3.3510 3.4073 3.4824 3.6253 3.6887 3.7933 3.8505 4.4995 4.6124 5.5160 5.7380 5.9594 5.9672 6.0390 6.1486 6.1619 6.1906 6.6222 6.6912 7.0521 7.0821 7.6210 7.6487 8.9208 8.9232 9.3536 9.3843 10.4002 10.4108 12.4294 12.4540 12.6055 12.6453 13.6328 13.6390 k = 0.3333-0.0000-0.0000 ( 3075 PWs) bands (ev): -2.6460 -2.6443 -1.8919 -1.8856 2.7334 2.8115 3.2564 3.3536 3.4152 3.4583 3.6373 3.6819 3.7718 3.8015 4.5267 4.6249 5.4658 5.6849 5.9504 5.9614 6.0221 6.1366 6.1403 6.1780 6.6054 6.6771 7.0333 7.0709 7.5485 7.5748 8.9888 8.9918 9.3387 9.3694 10.4083 10.4203 12.4844 12.5085 12.5509 12.5913 13.6785 13.6856 k = 0.3431-0.0000-0.0000 ( 3075 PWs) bands (ev): -2.5728 -2.5712 -1.8456 -1.8394 2.7348 2.8135 3.2604 3.3548 3.4216 3.4288 3.6483 3.6662 3.7504 3.7588 4.5509 4.6350 5.4222 5.6380 5.9378 5.9568 6.0097 6.1176 6.1255 6.1677 6.5885 6.6619 7.0178 7.0641 7.4898 7.5126 9.0573 9.0608 9.3137 9.3442 10.4134 10.4267 12.4700 12.5013 12.5770 12.6096 13.7318 13.7395 k = 0.3529-0.0000-0.0000 ( 3061 PWs) bands (ev): -2.4994 -2.4979 -1.8010 -1.7948 2.7340 2.8129 3.2639 3.3548 3.3933 3.4251 3.6310 3.6571 3.7321 3.7356 4.5707 4.6411 5.3869 5.5980 5.9230 5.9532 6.0017 6.0958 6.1155 6.1587 6.5718 6.6459 7.0044 7.0603 7.4452 7.4623 9.1262 9.1299 9.2781 9.3082 10.4155 10.4299 12.4325 12.4646 12.6388 12.6695 13.7908 13.7992 k = 0.3627-0.0000-0.0000 ( 3065 PWs) bands (ev): -2.4260 -2.4245 -1.7584 -1.7523 2.7311 2.8098 3.2664 3.3518 3.3534 3.4222 3.5824 3.6602 3.7211 3.7300 4.5845 4.6418 5.3606 5.5649 5.9089 5.9505 5.9966 6.0761 6.1062 6.1504 6.5554 6.6290 6.9922 7.0580 7.4143 7.4239 9.1952 9.1976 9.2317 9.2629 10.4144 10.4299 12.4060 12.4368 12.7025 12.7329 13.8543 13.8633 k = 0.3725-0.0000-0.0000 ( 3070 PWs) bands (ev): -2.3528 -2.3515 -1.7183 -1.7122 2.7263 2.8048 3.2658 3.3070 3.3509 3.4049 3.5395 3.6546 3.7214 3.7323 4.5913 4.6358 5.3437 5.5386 5.8982 5.9485 5.9932 6.0598 6.0978 6.1426 6.5394 6.6112 6.9812 7.0562 7.3964 7.3976 9.1746 9.1985 9.2645 9.2734 10.4103 10.4267 12.3931 12.4219 12.7650 12.7952 13.9213 13.9312 k = 0.3824-0.0000-0.0000 ( 3066 PWs) bands (ev): -2.2803 -2.2791 -1.6809 -1.6750 2.7201 2.7981 3.2402 3.2818 3.3455 3.3664 3.5162 3.6437 3.7301 3.7385 4.5905 4.6229 5.3354 5.5182 5.8930 5.9472 5.9908 6.0481 6.0902 6.1352 6.5240 6.5927 6.9713 7.0538 7.3835 7.3904 9.1076 9.1318 9.3335 9.3412 10.4033 10.4203 12.3934 12.4199 12.8249 12.8550 13.9912 14.0019 k = 0.3922-0.0000-0.0000 ( 3064 PWs) bands (ev): -2.2087 -2.2077 -1.6469 -1.6411 2.7127 2.7901 3.1870 3.2805 3.3028 3.3471 3.5091 3.6315 3.7426 3.7471 4.5821 4.6035 5.3345 5.5028 5.8944 5.9462 5.9889 6.0416 6.0834 6.1282 6.5090 6.5736 6.9629 7.0499 7.3814 7.3950 9.0317 9.0545 9.4021 9.4099 10.3933 10.4107 12.4062 12.4302 12.8813 12.9111 14.0629 14.0747 k = 0.4020-0.0000-0.0000 ( 3060 PWs) bands (ev): -2.1384 -2.1376 -1.6166 -1.6110 2.7046 2.7812 3.1290 3.2385 3.2821 3.3424 3.5092 3.6199 3.7568 3.7573 4.5669 4.5787 5.3391 5.4912 5.9031 5.9455 5.9872 6.0408 6.0775 6.1215 6.4945 6.5540 6.9561 7.0446 7.3908 7.4092 8.9479 8.9691 9.4701 9.4784 10.3804 10.3980 12.4301 12.4515 12.9329 12.9621 14.1357 14.1486 k = 0.4118-0.0000-0.0000 ( 3062 PWs) bands (ev): -2.0699 -2.0692 -1.5905 -1.5851 2.6961 2.7719 3.0703 3.1726 3.2841 3.3380 3.5121 3.6094 3.7687 3.7717 4.5461 4.5500 5.3474 5.4822 5.9185 5.9450 5.9855 6.0455 6.0724 6.1150 6.4804 6.5339 6.9512 7.0378 7.4108 7.4322 8.8575 8.8770 9.5372 9.5461 10.3645 10.3821 12.4636 12.4824 12.9786 13.0068 14.2083 14.2226 k = 0.4216-0.0000-0.0000 ( 3062 PWs) bands (ev): -2.0035 -2.0031 -1.5691 -1.5640 2.6877 2.7627 3.0128 3.1083 3.2861 3.3337 3.5162 3.6000 3.7809 3.7868 4.5191 4.5212 5.3578 5.4749 5.9397 5.9447 5.9839 6.0551 6.0683 6.1088 6.4666 6.5136 6.9481 7.0302 7.4408 7.4633 8.7620 8.7799 9.6034 9.6127 10.3455 10.3629 12.5052 12.5215 13.0170 13.0438 14.2793 14.2949 k = 0.4314-0.0000-0.0000 ( 3062 PWs) bands (ev): -1.9397 -1.9396 -1.5527 -1.5479 2.6800 2.7539 2.9580 3.0477 3.2882 3.3294 3.5207 3.5916 3.7937 3.8016 4.4875 4.4939 5.3691 5.4687 5.9449 5.9646 5.9829 6.0652 6.0685 6.1029 6.4531 6.4932 6.9467 7.0221 7.4799 7.5024 8.6627 8.6792 9.6682 9.6781 10.3233 10.3404 12.5533 12.5671 13.0470 13.0719 14.3468 14.3636 k = 0.4412-0.0000-0.0000 ( 3064 PWs) bands (ev): -1.8792 -1.8791 -1.5418 -1.5373 2.6734 2.7462 2.9072 2.9916 3.2903 3.3252 3.5252 3.5841 3.8066 3.8158 4.4567 4.4657 5.3802 5.4631 5.9456 5.9770 5.9972 6.0630 6.0841 6.0974 6.4399 6.4730 6.9468 7.0138 7.5274 7.5491 8.5611 8.5763 9.7315 9.7419 10.2978 10.3145 12.6063 12.6176 13.0673 13.0899 14.4084 14.4259 k = 0.4510-0.0000-0.0000 ( 3068 PWs) bands (ev): -1.8225 -1.8221 -1.5366 -1.5325 2.6686 2.7396 2.8616 2.9411 3.2924 3.3211 3.5297 3.5773 3.8192 3.8288 4.4281 4.4383 5.3908 5.4579 5.9468 5.9753 6.0265 6.0619 6.0907 6.1024 6.4272 6.4533 6.9483 7.0056 7.5829 7.6032 8.4582 8.4725 9.7929 9.8038 10.2689 10.2852 12.6626 12.6714 13.0772 13.0971 14.4620 14.4793 k = 0.4608-0.0000-0.0000 ( 3068 PWs) bands (ev): -1.7699 -1.7692 -1.5374 -1.5336 2.6662 2.7340 2.8227 2.8967 3.2945 3.3173 3.5341 3.5713 3.8311 3.8403 4.4030 4.4131 5.4006 5.4529 5.9485 5.9725 6.0564 6.0618 6.0860 6.1183 6.4153 6.4346 6.9509 6.9977 7.6459 7.6646 8.3554 8.3689 9.8521 9.8635 10.2368 10.2525 12.7203 12.7267 13.0763 13.0932 14.5059 14.5216 k = 0.4706-0.0000-0.0000 ( 3070 PWs) bands (ev): -1.7220 -1.7210 -1.5442 -1.5409 2.6666 2.7281 2.7930 2.8587 3.2967 3.3136 3.5384 3.5657 3.8417 3.8496 4.3825 4.3913 5.4095 5.4479 5.9507 5.9694 6.0624 6.0812 6.0846 6.1322 6.4046 6.4178 6.9545 6.9901 7.7158 7.7330 8.2538 8.2669 9.9088 9.9206 10.2015 10.2166 12.7774 12.7814 13.0654 13.0790 14.5394 14.5522 k = 0.4804-0.0000-0.0000 ( 3070 PWs) bands (ev): -1.6797 -1.6783 -1.5569 -1.5540 2.6704 2.7184 2.7768 2.8273 3.2990 3.3103 3.5427 3.5606 3.8504 3.8562 4.3677 4.3742 5.4176 5.4427 5.9533 5.9661 6.0640 6.0768 6.1091 6.1417 6.3960 6.4039 6.9590 6.9829 7.7920 7.8078 8.1545 8.1675 9.9623 9.9743 10.1638 10.1780 12.8309 12.8326 13.0462 13.0563 14.5629 14.5718 k = 0.4902-0.0000-0.0000 ( 3072 PWs) bands (ev): -1.6443 -1.6428 -1.5740 -1.5718 2.6781 2.7040 2.7755 2.8027 3.3015 3.3071 3.5470 3.5558 3.8566 3.8596 4.3592 4.3627 5.4248 5.4372 5.9562 5.9627 6.0663 6.0728 6.1283 6.1449 6.3907 6.3942 6.9641 6.9761 7.8737 7.8880 8.0591 8.0720 10.0108 10.0217 10.1262 10.1382 12.8748 12.8748 13.0243 13.0302 14.5774 14.5820 k = 0.5000-0.0000-0.0000 ( 3072 PWs) bands (ev): -1.6247 -1.6247 -1.5857 -1.5857 2.6896 2.6896 2.7851 2.7851 3.3042 3.3042 3.5513 3.5513 3.8598 3.8598 4.3576 4.3576 5.4313 5.4313 5.9594 5.9594 6.0693 6.0693 6.1405 6.1405 6.3898 6.3898 6.9699 6.9699 7.9491 7.9491 7.9925 7.9925 10.0429 10.0429 10.1086 10.1086 12.8940 12.8940 13.0144 13.0144 14.5837 14.5837 k = 0.5000-0.0000-0.0000 ( 3072 PWs) bands (ev): -1.6247 -1.6247 -1.5857 -1.5857 2.6896 2.6896 2.7851 2.7851 3.3042 3.3042 3.5513 3.5513 3.8598 3.8598 4.3576 4.3576 5.4313 5.4313 5.9594 5.9594 6.0693 6.0693 6.1405 6.1405 6.3898 6.3898 6.9699 6.9699 7.9491 7.9491 7.9925 7.9925 10.0429 10.0429 10.1086 10.1086 12.8940 12.8940 13.0144 13.0144 14.5837 14.5837 k = 0.5000 0.0099-0.0000 ( 3064 PWs) bands (ev): -1.6242 -1.6241 -1.5850 -1.5850 2.6876 2.6919 2.7797 2.7897 3.2951 3.3125 3.5428 3.5592 3.8568 3.8643 4.3543 4.3655 5.4297 5.4327 5.9522 5.9657 6.0669 6.0709 6.1388 6.1448 6.3887 6.3902 6.9691 6.9705 7.9482 7.9500 7.9914 7.9934 10.0332 10.0374 10.0938 10.1085 12.8918 12.8951 13.0070 13.0221 14.5919 14.5958 k = 0.5000 0.0198-0.0000 ( 3068 PWs) bands (ev): -1.6225 -1.6222 -1.5832 -1.5832 2.6858 2.6944 2.7737 2.7935 3.2851 3.3196 3.5334 3.5662 3.8552 3.8704 4.3557 4.3780 5.4278 5.4338 5.9442 5.9709 6.0637 6.0718 6.1395 6.1510 6.3869 6.3899 6.9680 6.9708 7.9471 7.9509 7.9903 7.9943 10.0084 10.0168 10.0644 10.0933 12.8888 12.8951 12.9999 13.0294 14.6199 14.6276 k = 0.5000 0.0296-0.0000 ( 3062 PWs) bands (ev): -1.6195 -1.6192 -1.5802 -1.5801 2.6843 2.6970 2.7669 2.7966 3.2748 3.3256 3.5234 3.5727 3.8551 3.8779 4.3618 4.3947 5.4257 5.4347 5.9356 5.9748 6.0604 6.0726 6.1425 6.1589 6.3845 6.3889 6.9668 6.9710 7.9460 7.9516 7.9890 7.9950 9.9693 9.9817 10.0213 10.0636 12.8850 12.8937 12.9934 13.0360 14.6660 14.6775 k = 0.5000 0.0395-0.0000 ( 3054 PWs) bands (ev): -1.6154 -1.6150 -1.5759 -1.5758 2.6830 2.6997 2.7594 2.7986 3.2645 3.3305 3.5131 3.5788 3.8565 3.8868 4.3722 4.4151 5.4234 5.4354 5.9264 5.9768 6.0578 6.0735 6.1475 6.1679 6.3816 6.3873 6.9653 6.9710 7.9448 7.9523 7.9876 7.9956 9.9171 9.9333 9.9656 10.0201 12.8805 12.8910 12.9874 13.0413 14.7268 14.7417 k = 0.5000 0.0494-0.0000 ( 3058 PWs) bands (ev): -1.6102 -1.6096 -1.5705 -1.5703 2.6817 2.7022 2.7511 2.7996 3.2546 3.3344 3.5026 3.5847 3.8593 3.8970 4.3865 4.4389 5.4209 5.4357 5.9168 5.9765 6.0565 6.0746 6.1541 6.1777 6.3780 6.3848 6.9636 6.9707 7.9434 7.9528 7.9860 7.9960 9.8531 9.8729 9.8987 9.9640 12.8753 12.8868 12.9814 13.0448 14.7946 14.8130 k = 0.5000 0.0593-0.0000 ( 3066 PWs) bands (ev): -1.6038 -1.6031 -1.5639 -1.5637 2.6803 2.7043 2.7422 2.7995 3.2456 3.3376 3.4923 3.5906 3.8636 3.9083 4.4042 4.4654 5.4182 5.4358 5.9069 5.9738 6.0572 6.0763 6.1621 6.1883 6.3740 6.3817 6.9615 6.9702 7.9419 7.9532 7.9843 7.9962 9.7789 9.8020 9.8219 9.8967 12.8693 12.8810 12.9752 13.0461 14.8520 14.8725 k = 0.5000 0.0691-0.0000 ( 3062 PWs) bands (ev): -1.5963 -1.5955 -1.5561 -1.5560 2.6782 2.7056 2.7331 2.7983 3.2380 3.3405 3.4826 3.5967 3.8693 3.9208 4.4247 4.4943 5.4154 5.4357 5.8968 5.9689 6.0600 6.0786 6.1712 6.1994 6.3696 6.3780 6.9592 6.9694 7.9403 7.9534 7.9824 7.9962 9.6960 9.7222 9.7368 9.8197 12.8623 12.8737 12.9683 13.0447 14.8622 14.8790 k = 0.5000 0.0790-0.0000 ( 3064 PWs) bands (ev): -1.5877 -1.5869 -1.5473 -1.5472 2.6749 2.7057 2.7242 2.7963 3.2323 3.3434 3.4736 3.6031 3.8763 3.9341 4.4475 4.5249 5.4125 5.4352 5.8867 5.9623 6.0647 6.0816 6.1812 6.2111 6.3649 6.3736 6.9565 6.9684 7.9384 7.9534 7.9802 7.9959 9.6060 9.6351 9.6448 9.7344 12.8541 12.8646 12.9601 13.0404 14.8021 14.8103 k = 0.5000 0.0889-0.0000 ( 3068 PWs) bands (ev): -1.5781 -1.5772 -1.5375 -1.5373 2.6691 2.7038 2.7167 2.7937 3.2288 3.3467 3.4656 3.6098 3.8847 3.9482 4.4720 4.5569 5.4094 5.4346 5.8766 5.9543 6.0711 6.0852 6.1921 6.2232 6.3602 6.3687 6.9535 6.9670 7.9363 7.9531 7.9777 7.9953 9.5103 9.5422 9.5473 9.6423 12.8444 12.8536 12.9501 13.0328 14.6973 14.6995 k = 0.5000 0.0988-0.0000 ( 3072 PWs) bands (ev): -1.5675 -1.5665 -1.5266 -1.5264 2.6597 2.6992 2.7115 2.7913 3.2280 3.3507 3.4589 3.6170 3.8943 3.9630 4.4975 4.5896 5.4062 5.4337 5.8668 5.9457 6.0785 6.0895 6.2038 6.2359 6.3556 6.3634 6.9501 6.9653 7.9338 7.9526 7.9749 7.9944 9.4104 9.4449 9.4456 9.5449 12.8329 12.8405 12.9378 13.0217 14.5730 14.5743 k = 0.5000 0.1086-0.0000 ( 3064 PWs) bands (ev): -1.5559 -1.5548 -1.5149 -1.5147 2.6466 2.6911 2.7089 2.7896 3.2300 3.3559 3.4536 3.6248 3.9051 3.9783 4.5236 4.6226 5.4029 5.4325 5.8576 5.9368 6.0869 6.0944 6.2161 6.2491 6.3516 6.3578 6.9462 6.9632 7.9310 7.9516 7.9717 7.9930 9.3073 9.3408 9.3445 9.4435 12.8193 12.8252 12.9227 13.0069 14.4414 14.4445 k = 0.5000 0.1185-0.0000 ( 3060 PWs) bands (ev): -1.5435 -1.5423 -1.5022 -1.5020 2.6304 2.6791 2.7083 2.7892 3.2348 3.3624 3.4498 3.6330 3.9168 3.9939 4.5496 4.6555 5.3995 5.4311 5.8489 5.9278 6.0959 6.0999 6.2289 6.2629 6.3484 6.3521 6.9419 6.9606 7.9279 7.9502 7.9681 7.9910 9.2023 9.2341 9.2421 9.3393 12.8032 12.8075 12.9043 12.9882 14.3088 14.3127 k = 0.5000 0.1284-0.0000 ( 3060 PWs) bands (ev): -1.5302 -1.5289 -1.4887 -1.4885 2.6118 2.6635 2.7089 2.7899 3.2425 3.3703 3.4476 3.6419 3.9293 4.0098 4.5751 4.6877 5.3960 5.4293 5.8412 5.9190 6.1052 6.1057 6.2419 6.2770 6.3466 6.3469 6.9370 6.9575 7.9241 7.9483 7.9640 7.9885 9.0963 9.1263 9.1388 9.2333 12.7845 12.7872 12.8822 12.9654 14.1772 14.1812 k = 0.5000 0.1383-0.0000 ( 3064 PWs) bands (ev): -1.5161 -1.5148 -1.4745 -1.4743 2.5912 2.6446 2.7104 2.7916 3.2528 3.3799 3.4470 3.6513 3.9424 4.0257 4.5996 4.7187 5.3923 5.4273 5.8346 5.9106 6.1118 6.1144 6.2547 6.2912 6.3421 6.3478 6.9316 6.9538 7.9198 7.9456 7.9592 7.9853 8.9901 9.0185 9.0354 9.1265 12.7628 12.7642 12.8561 12.9384 14.0477 14.0514 k = 0.5000 0.1481-0.0000 ( 3064 PWs) bands (ev): -1.5013 -1.5000 -1.4597 -1.4595 2.5692 2.6231 2.7125 2.7939 3.2657 3.3911 3.4481 3.6613 3.9561 4.0417 4.6227 4.7481 5.3884 5.4248 5.8293 5.9029 6.1178 6.1231 6.2668 6.3045 6.3399 6.3524 6.9256 6.9493 7.9148 7.9423 7.9538 7.9813 8.8846 8.9115 8.9328 9.0199 12.7380 12.7384 12.8259 12.9070 13.9213 13.9240 k = 0.5000 0.1580-0.0000 ( 3076 PWs) bands (ev): -1.4860 -1.4846 -1.4443 -1.4441 2.5460 2.5994 2.7150 2.7967 3.2808 3.4039 3.4509 3.6717 3.9702 4.0575 4.6441 4.7755 5.3843 5.4219 5.8256 5.8959 6.1234 6.1307 6.2780 6.3136 6.3438 6.3615 6.9188 6.9440 7.9091 7.9381 7.9476 7.9763 8.7803 8.8060 8.8317 8.9140 12.7097 12.7100 12.7915 12.8714 13.7983 13.7997 k = 0.5000 0.1679-0.0000 ( 3072 PWs) bands (ev): -1.4700 -1.4686 -1.4284 -1.4282 2.5219 2.5741 2.7179 2.7996 3.2981 3.4184 3.4554 3.6828 3.9846 4.0731 4.6633 4.8004 5.3799 5.4186 5.8239 5.8899 6.1281 6.1367 6.2887 6.3170 6.3560 6.3756 6.9114 6.9378 7.9025 7.9329 7.9406 7.9704 8.6778 8.7027 8.7329 8.8098 12.6781 12.6787 12.7527 12.8316 13.6789 13.6793 k = 0.5000 0.1778-0.0000 ( 3064 PWs) bands (ev): -1.4536 -1.4522 -1.4121 -1.4119 2.4971 2.5476 2.7211 2.8026 3.3172 3.4343 3.4616 3.6942 3.9992 4.0885 4.6803 4.8225 5.3751 5.4146 5.8244 5.8851 6.1313 6.1405 6.3000 6.3188 6.3732 6.3943 6.9033 6.9306 7.8949 7.9266 7.9327 7.9633 8.5778 8.6025 8.6369 8.7079 12.6437 12.6442 12.7099 12.7877 13.5621 13.5646 k = 0.5000 0.1877-0.0000 ( 3062 PWs) bands (ev): -1.4369 -1.4355 -1.3955 -1.3953 2.4718 2.5203 2.7246 2.8054 3.3380 3.4517 3.4693 3.7058 4.0139 4.1034 4.6946 4.8415 5.3699 5.4101 5.8270 5.8813 6.1324 6.1419 6.3129 6.3222 6.3928 6.4168 6.8944 6.9221 7.8862 7.9189 7.9237 7.9549 8.4807 8.5059 8.5444 8.6088 12.6066 12.6067 12.6633 12.7402 13.4494 13.4544 k = 0.5000 0.1975-0.0000 ( 3070 PWs) bands (ev): -1.4199 -1.4184 -1.3788 -1.3786 2.4463 2.4926 2.7282 2.8082 3.3602 3.4703 3.4784 3.7176 4.0286 4.1177 4.7063 4.8571 5.3642 5.4048 5.8319 5.8787 6.1308 6.1410 6.3279 6.3284 6.4138 6.4426 6.8849 6.9122 7.8763 7.9098 7.9134 7.9449 8.3868 8.4135 8.4559 8.5132 12.5662 12.5672 12.6134 12.6893 13.3413 13.3489 k = 0.5000 0.2074-0.0000 ( 3074 PWs) bands (ev): -1.4027 -1.4013 -1.3620 -1.3618 2.4208 2.4646 2.7321 2.8107 3.3837 3.4890 3.4900 3.7294 4.0433 4.1315 4.7153 4.8692 5.3581 5.3988 5.8393 5.8774 6.1266 6.1381 6.3379 6.3452 6.4360 6.4713 6.8749 6.9009 7.8649 7.8989 7.9018 7.9331 8.2969 8.3261 8.3719 8.4217 12.5231 12.5256 12.5608 12.6358 13.2379 13.2483 k = 0.5000 0.2173-0.0000 ( 3082 PWs) bands (ev): -1.3855 -1.3841 -1.3452 -1.3450 2.3953 2.4367 2.7362 2.8129 3.4083 3.5007 3.5106 3.7411 4.0579 4.1447 4.7215 4.8778 5.3514 5.3920 5.8490 5.8772 6.1197 6.1339 6.3508 6.3646 6.4589 6.5025 6.8646 6.8881 7.8520 7.8861 7.8885 7.9192 8.2115 8.2440 8.2929 8.3349 12.4779 12.4822 12.5063 12.5800 13.1395 13.1528 k = 0.5000 0.2272-0.0000 ( 3082 PWs) bands (ev): -1.3684 -1.3670 -1.3285 -1.3284 2.3703 2.4091 2.7404 2.8150 3.4337 3.5137 3.5319 3.7525 4.0725 4.1572 4.7252 4.8828 5.3443 5.3845 5.8611 5.8780 6.1105 6.1288 6.3667 6.3859 6.4821 6.5357 6.8545 6.8737 7.8373 7.8711 7.8730 7.9028 8.1314 8.1678 8.2194 8.2537 12.4308 12.4374 12.4508 12.5229 13.0462 13.0623 k = 0.5000 0.2370-0.0000 ( 3078 PWs) bands (ev): -1.3514 -1.3500 -1.3121 -1.3120 2.3458 2.3821 2.7447 2.8168 3.4598 3.5277 3.5537 3.7635 4.0871 4.1690 4.7264 4.8845 5.3368 5.3763 5.8753 5.8798 6.0994 6.1235 6.3851 6.4086 6.5048 6.5705 6.8453 6.8579 7.8205 7.8536 7.8547 7.8833 8.0576 8.0980 8.1513 8.1794 12.3822 12.3917 12.3953 12.4650 12.9583 12.9769 k = 0.5000 0.2469-0.0000 ( 3082 PWs) bands (ev): -1.3347 -1.3334 -1.2961 -1.2960 2.3220 2.3557 2.7492 2.8183 3.4864 3.5426 3.5758 3.7738 4.1015 4.1799 4.7254 4.8829 5.3290 5.3674 5.8822 5.8913 6.0868 6.1183 6.4056 6.4322 6.5258 6.6061 6.8381 6.8413 7.8012 7.8325 7.8332 7.8602 7.9916 8.0351 8.0880 8.1136 12.3318 12.3417 12.3455 12.4073 12.8759 12.8968 k = 0.5000 0.2568-0.0000 ( 3090 PWs) bands (ev): -1.3185 -1.3172 -1.2805 -1.2805 2.2990 2.3302 2.7538 2.8195 3.5130 3.5584 3.5978 3.7833 4.1158 4.1900 4.7225 4.8782 5.3211 5.3581 5.8850 5.9090 6.0732 6.1138 6.4275 6.4563 6.5437 6.6411 6.8250 6.8344 7.7786 7.8054 7.8097 7.8330 7.9352 7.9798 8.0293 8.0579 12.2797 12.2911 12.2995 12.3504 12.7990 12.8218 k = 0.5000 0.2667-0.0000 ( 3086 PWs) bands (ev): -1.3028 -1.3016 -1.2656 -1.2655 2.2771 2.3058 2.7585 2.8205 3.5393 3.5752 3.6195 3.7919 4.1299 4.1994 4.7180 4.8708 5.3132 5.3484 5.8880 5.9282 6.0589 6.1105 6.4500 6.4803 6.5570 6.6722 6.8125 6.8362 7.7505 7.7747 7.7831 7.8017 7.8890 7.9327 7.9761 8.0114 12.2281 12.2431 12.2540 12.2951 12.7278 12.7520 k = 0.5000 0.2765-0.0000 ( 3090 PWs) bands (ev): -1.2877 -1.2866 -1.2514 -1.2513 2.2563 2.2825 2.7632 2.8213 3.5645 3.5933 3.6405 3.7995 4.1438 4.2078 4.7123 4.8610 5.3055 5.3385 5.8908 5.9484 6.0443 6.1087 6.4721 6.5033 6.5646 6.6920 6.8111 6.8449 7.7148 7.7445 7.7536 7.7672 7.8512 7.8938 7.9295 7.9723 12.1786 12.1971 12.2098 12.2420 12.6622 12.6873 k = 0.5000 0.2864-0.0000 ( 3086 PWs) bands (ev): -1.2735 -1.2725 -1.2380 -1.2379 2.2370 2.2607 2.7680 2.8218 3.5878 3.6134 3.6606 3.8060 4.1574 4.2154 4.7057 4.8489 5.2980 5.3286 5.8933 5.9693 6.0301 6.1088 6.4916 6.5241 6.5679 6.6941 6.8282 6.8612 7.6744 7.7160 7.7215 7.7314 7.8186 7.8626 7.8892 7.9389 12.1322 12.1534 12.1673 12.1917 12.6025 12.6278 k = 0.5000 0.2963-0.0000 ( 3082 PWs) bands (ev): -1.2602 -1.2592 -1.2255 -1.2254 2.2191 2.2403 2.7727 2.8219 3.6085 3.6355 3.6792 3.8114 4.1705 4.2222 4.6989 4.8352 5.2910 5.3188 5.8953 5.9883 6.0189 6.1111 6.5038 6.5404 6.5718 6.6844 6.8595 6.8841 7.6344 7.6865 7.6883 7.6976 7.7893 7.8371 7.8541 7.9094 12.0895 12.1126 12.1271 12.1446 12.5484 12.5735 k = 0.5000 0.3062-0.0000 ( 3078 PWs) bands (ev): -1.2479 -1.2470 -1.2140 -1.2140 2.2028 2.2216 2.7775 2.8219 3.6268 3.6591 3.6960 3.8157 4.1830 4.2281 4.6922 4.8199 5.2845 5.3094 5.8968 5.9916 6.0243 6.1156 6.5034 6.5485 6.5827 6.6740 6.8971 6.9122 7.5972 7.6505 7.6614 7.6664 7.7630 7.8156 7.8229 7.8827 12.0508 12.0750 12.0896 12.1013 12.5002 12.5243 k = 0.5000 0.3160-0.0000 ( 3084 PWs) bands (ev): -1.2368 -1.2360 -1.2036 -1.2036 2.1882 2.2046 2.7821 2.8215 3.6436 3.6827 3.7105 3.8189 4.1947 4.2331 4.6861 4.8037 5.2786 5.3005 5.8978 5.9806 6.0451 6.1223 6.4922 6.5443 6.6000 6.6706 6.9366 6.9435 7.5642 7.6162 7.6353 7.6372 7.7394 7.7948 7.7971 7.8581 12.0167 12.0412 12.0552 12.0621 12.4579 12.4804 k = 0.5000 0.3259-0.0000 ( 3076 PWs) bands (ev): -1.2269 -1.2262 -1.1945 -1.1945 2.1755 2.1896 2.7866 2.8208 3.6593 3.7057 3.7223 3.8210 4.2055 4.2373 4.6813 4.7868 5.2735 5.2923 5.8985 5.9681 6.0686 6.1310 6.4753 6.5283 6.6199 6.6752 6.9759 6.9767 7.5360 7.5848 7.6100 7.6105 7.7188 7.7691 7.7812 7.8354 11.9872 12.0115 12.0243 12.0273 12.4213 12.4417 k = 0.5000 0.3358-0.0000 ( 3080 PWs) bands (ev): -1.2183 -1.2178 -1.1866 -1.1866 2.1647 2.1764 2.7910 2.8197 3.6739 3.7274 3.7311 3.8221 4.2152 4.2406 4.6780 4.7697 5.2693 5.2848 5.8993 5.9559 6.0925 6.1411 6.4562 6.5052 6.6396 6.6840 7.0099 7.0134 7.5129 7.5568 7.5851 7.5869 7.7016 7.7458 7.7679 7.8146 11.9627 11.9861 11.9958 11.9984 12.3907 12.4085 k = 0.5000 0.3457-0.0000 ( 3072 PWs) bands (ev): -1.2112 -1.2107 -1.1800 -1.1800 2.1560 2.1653 2.7952 2.8184 3.6876 3.7366 3.7474 3.8220 4.2236 4.2431 4.6768 4.7529 5.2660 5.2783 5.9003 5.9447 6.1159 6.1520 6.4373 6.4794 6.6580 6.6933 7.0417 7.0476 7.4951 7.5325 7.5629 7.5650 7.6881 7.7251 7.7574 7.7958 11.9431 11.9653 11.9703 11.9755 12.3659 12.3808 k = 0.5000 0.3556-0.0000 ( 3060 PWs) bands (ev): -1.2055 -1.2052 -1.1749 -1.1749 2.1494 2.1564 2.7992 2.8166 3.7001 3.7390 3.7654 3.8206 4.2306 4.2446 4.6781 4.7369 5.2636 5.2728 5.9019 5.9347 6.1376 6.1627 6.4205 6.4539 6.6742 6.7009 7.0702 7.0769 7.4824 7.5120 7.5439 7.5457 7.6786 7.7073 7.7500 7.7795 11.9287 11.9494 11.9494 11.9573 12.3472 12.3586 k = 0.5000 0.3654-0.0000 ( 3060 PWs) bands (ev): -1.2015 -1.2012 -1.1712 -1.1712 2.1450 2.1496 2.8029 2.8146 3.7113 3.7383 3.7810 3.8174 4.2362 4.2452 4.6819 4.7220 5.2623 5.2684 5.9043 5.9259 6.1561 6.1717 6.4077 6.4310 6.6876 6.7055 7.0937 7.0993 7.4748 7.4954 7.5291 7.5303 7.6732 7.6927 7.7459 7.7660 11.9194 11.9333 11.9383 11.9438 12.3343 12.3421 k = 0.5000 0.3753-0.0000 ( 3060 PWs) bands (ev): -1.1990 -1.1989 -1.1689 -1.1689 2.1428 2.1451 2.8063 2.8122 3.7210 3.7348 3.7939 3.8121 4.2404 4.2448 4.6883 4.7087 5.2621 5.2652 5.9078 5.9185 6.1698 6.1771 6.4012 6.4133 6.6976 6.7067 7.1098 7.1130 7.4724 7.4829 7.5196 7.5201 7.6719 7.6818 7.7455 7.7556 11.9152 11.9222 11.9323 11.9350 12.3274 12.3313 k = 0.5000 0.3852-0.0000 ( 3060 PWs) bands (ev): -1.1981 -1.1981 -1.1682 -1.1682 2.1428 2.1428 2.8094 2.8094 3.7289 3.7289 3.8043 3.8043 4.2432 4.2432 4.6973 4.6973 5.2631 5.2631 5.9125 5.9125 6.1769 6.1769 6.4030 6.4030 6.7041 6.7041 7.1166 7.1166 7.4751 7.4751 7.5165 7.5165 7.6748 7.6748 7.7487 7.7487 11.9162 11.9162 11.9312 11.9312 12.3264 12.3264 k = 0.5000 0.3852-0.0000 ( 3060 PWs) bands (ev): -1.1981 -1.1981 -1.1682 -1.1682 2.1428 2.1428 2.8094 2.8094 3.7289 3.7289 3.8043 3.8043 4.2432 4.2432 4.6973 4.6973 5.2631 5.2631 5.9125 5.9125 6.1769 6.1769 6.4030 6.4030 6.7041 6.7041 7.1166 7.1166 7.4751 7.4751 7.5165 7.5165 7.6748 7.6748 7.7487 7.7487 11.9162 11.9162 11.9312 11.9312 12.3264 12.3264 k = 0.4902 0.3852-0.0000 ( 3056 PWs) bands (ev): -1.2015 -1.2009 -1.1724 -1.1707 2.1430 2.1473 2.8046 2.8170 3.7188 3.7388 3.8009 3.8124 4.2378 4.2470 4.6981 4.7036 5.2572 5.2706 5.9108 5.9132 6.1749 6.1770 6.3908 6.4058 6.6842 6.7207 7.1093 7.1199 7.4609 7.4862 7.5108 7.5211 7.6583 7.6927 7.7325 7.7682 11.9128 11.9257 11.9282 11.9428 12.3255 12.3401 k = 0.4804 0.3852-0.0000 ( 3064 PWs) bands (ev): -1.2110 -1.2097 -1.1833 -1.1801 2.1479 2.1566 2.8026 2.8272 3.7093 3.7473 3.8011 3.8260 4.2311 4.2491 4.7060 4.7165 5.2530 5.2799 5.9080 5.9129 6.1710 6.1753 6.3704 6.3982 6.6632 6.7330 7.0978 7.1194 7.4459 7.4926 7.5024 7.5246 7.6465 7.7035 7.7274 7.7884 11.9161 11.9342 11.9415 11.9625 12.3376 12.3660 k = 0.4706 0.3852-0.0000 ( 3072 PWs) bands (ev): -1.2264 -1.2246 -1.2008 -1.1960 2.1572 2.1703 2.8033 2.8401 3.7011 3.7541 3.8042 3.8453 4.2234 4.2493 4.7212 4.7355 5.2504 5.2908 5.9042 5.9116 6.1652 6.1716 6.3423 6.3791 6.6433 6.7405 7.0821 7.1149 7.4321 7.4904 7.4958 7.5246 7.6418 7.6998 7.7402 7.8074 11.9271 11.9494 11.9639 11.9901 12.3626 12.4031 k = 0.4608 0.3852-0.0000 ( 3068 PWs) bands (ev): -1.2476 -1.2452 -1.2245 -1.2182 2.1708 2.1884 2.8066 2.8552 3.6946 3.7597 3.8098 3.8695 4.2151 4.2478 4.7436 4.7605 5.2492 5.3035 5.8993 5.9091 6.1576 6.1660 6.3071 6.3484 6.6264 6.7437 7.0620 7.1066 7.4207 7.4752 7.4980 7.5202 7.6437 7.6952 7.7563 7.8242 11.9467 11.9741 11.9931 12.0257 12.3997 12.4507 k = 0.4510 0.3852-0.0000 ( 3068 PWs) bands (ev): -1.2742 -1.2713 -1.2541 -1.2463 2.1881 2.2104 2.8122 2.8723 3.6894 3.7645 3.8177 3.8977 4.2063 4.2447 4.7729 4.7907 5.2495 5.3178 5.8932 5.9053 6.1481 6.1576 6.2656 6.3078 6.6131 6.7432 7.0377 7.0943 7.4121 7.4586 7.4998 7.5142 7.6489 7.6924 7.7707 7.8379 11.9754 12.0084 12.0297 12.0697 12.4480 12.5076 k = 0.4412 0.3852-0.0000 ( 3068 PWs) bands (ev): -1.3059 -1.3025 -1.2891 -1.2800 2.2087 2.2358 2.8199 2.8910 3.6856 3.7689 3.8276 3.9286 4.1971 4.2404 4.8087 4.8259 5.2509 5.3333 5.8857 5.8997 6.1368 6.1450 6.2189 6.2615 6.6030 6.7400 7.0095 7.0779 7.4063 7.4427 7.4995 7.5119 7.6544 7.6906 7.7825 7.8480 12.0137 12.0528 12.0740 12.1224 12.5063 12.5730 k = 0.4314 0.3852-0.0000 ( 3072 PWs) bands (ev): -1.3423 -1.3384 -1.3291 -1.3187 2.2321 2.2642 2.8295 2.9110 3.6828 3.7732 3.8393 3.9613 4.1878 4.2353 4.8504 4.8654 5.2532 5.3495 5.8769 5.8918 6.1233 6.1239 6.1689 6.2171 6.5952 6.7349 6.9781 7.0578 7.4029 7.4295 7.4963 7.5160 7.6579 7.6885 7.7912 7.8543 12.0616 12.1073 12.1266 12.1842 12.5735 12.6458 k = 0.4216 0.3852-0.0000 ( 3076 PWs) bands (ev): -1.3830 -1.3787 -1.3735 -1.3620 2.2578 2.2950 2.8405 2.9320 3.6808 3.7775 3.8525 3.9945 4.1785 4.2299 4.8971 4.9088 5.2559 5.3654 5.8668 5.8806 6.0859 6.1087 6.1186 6.1847 6.5892 6.7286 6.9442 7.0343 7.4006 7.4210 7.4942 7.5239 7.6583 7.6854 7.7970 7.8568 12.1193 12.1717 12.1877 12.2551 12.6484 12.7254 k = 0.4118 0.3852-0.0000 ( 3080 PWs) bands (ev): -1.4275 -1.4229 -1.4217 -1.4092 2.2853 2.3277 2.8529 2.9536 3.6793 3.7818 3.8666 4.0268 4.1693 4.2251 4.9481 4.9552 5.2583 5.3793 5.8551 5.8644 6.0355 6.0674 6.0955 6.1652 6.5845 6.7220 6.9087 7.0082 7.3982 7.4188 7.4947 7.5345 7.6554 7.6810 7.8000 7.8556 12.1865 12.2460 12.2573 12.3350 12.7299 12.8107 k = 0.4020 0.3852-0.0000 ( 3084 PWs) bands (ev): -1.4754 -1.4733 -1.4705 -1.4598 2.3141 2.3619 2.8663 2.9756 3.6780 3.7863 3.8814 4.0562 4.1602 4.2221 5.0018 5.0038 5.2595 5.3887 5.8417 5.8420 5.9825 6.0237 6.0800 6.1524 6.5812 6.7156 6.8724 6.9806 7.3962 7.4219 7.4977 7.5477 7.6494 7.6755 7.8007 7.8512 12.2629 12.3296 12.3355 12.4237 12.8169 12.9010 k = 0.3922 0.3852-0.0000 ( 3088 PWs) bands (ev): -1.5279 -1.5261 -1.5211 -1.5134 2.3438 2.3970 2.8806 2.9978 3.6769 3.7908 3.8961 4.0803 4.1514 4.2226 5.0533 5.0561 5.2589 5.3899 5.8118 5.8270 5.9355 5.9879 6.0654 6.1428 6.5793 6.7098 6.8363 6.9524 7.3961 7.4280 7.5031 7.5631 7.6412 7.6695 7.7998 7.8440 12.3481 12.4218 12.4221 12.5207 12.9086 12.9956 k = 0.3824 0.3852-0.0000 ( 3092 PWs) bands (ev): -1.5847 -1.5794 -1.5745 -1.5692 2.3739 2.4325 2.8956 3.0199 3.6757 3.7955 3.9103 4.0966 4.1430 4.2286 5.1019 5.1059 5.2579 5.3791 5.7769 5.8097 5.9015 5.9601 6.0526 6.1357 6.5792 6.7053 6.8011 6.9246 7.3980 7.4355 7.5098 7.5790 7.6341 7.6645 7.7982 7.8351 12.4415 12.5161 12.5225 12.6253 13.0040 13.0936 k = 0.3725 0.3852-0.0000 ( 3088 PWs) bands (ev): -1.6434 -1.6347 -1.6307 -1.6264 2.4041 2.4682 2.9110 3.0420 3.6744 3.8003 3.9235 4.1041 4.1353 4.2404 5.1389 5.1469 5.2651 5.3543 5.7410 5.7903 5.8837 5.9382 6.0427 6.1311 6.5810 6.7025 6.7676 6.8981 7.4014 7.4427 7.5153 7.5893 7.6368 7.6628 7.7971 7.8257 12.5424 12.6177 12.6303 12.7366 13.1024 13.1943 k = 0.3627 0.3852-0.0000 ( 3080 PWs) bands (ev): -1.7036 -1.6917 -1.6895 -1.6842 2.4341 2.5036 2.9269 3.0640 3.6729 3.8052 3.9350 4.1043 4.1282 4.2563 5.1380 5.1821 5.2942 5.3198 5.7074 5.7712 5.8800 5.9204 6.0367 6.1299 6.5851 6.7019 6.7366 6.8734 7.4051 7.4477 7.5153 7.5905 7.6571 7.6674 7.7984 7.8180 12.6501 12.7260 12.7443 12.8538 13.2031 13.2971 k = 0.3529 0.3852-0.0000 ( 3084 PWs) bands (ev): -1.7650 -1.7501 -1.7499 -1.7428 2.4635 2.5384 2.9429 3.0857 3.6710 3.8101 3.9444 4.0996 4.1219 4.2733 5.1077 5.1886 5.2948 5.3382 5.6772 5.7545 5.8849 5.9056 6.0354 6.1333 6.5915 6.7038 6.7090 6.8510 7.4075 7.4487 7.5056 7.5911 7.6815 7.6894 7.8041 7.8150 12.7637 12.8402 12.8635 12.9755 13.3056 13.4013 k = 0.3431 0.3852-0.0000 ( 3086 PWs) bands (ev): -1.8271 -1.8117 -1.8091 -1.8021 2.4922 2.5724 2.9592 3.1071 3.6689 3.8151 3.9514 4.0922 4.1167 4.2893 5.0602 5.1478 5.2995 5.3837 5.6499 5.7413 5.8927 5.8936 6.0392 6.1427 6.5992 6.6863 6.7085 6.8313 7.4061 7.4454 7.4869 7.5922 7.7076 7.7302 7.8168 7.8212 12.8822 12.9591 12.9868 13.1004 13.4094 13.5063 k = 0.3333 0.3852-0.0000 ( 3088 PWs) bands (ev): -1.8896 -1.8740 -1.8690 -1.8620 2.5199 2.6052 2.9755 3.1283 3.6665 3.8201 3.9556 4.0834 4.1128 4.3032 5.0021 5.0827 5.3121 5.4232 5.6252 5.7325 5.8840 5.8988 6.0485 6.1589 6.6053 6.6720 6.7161 6.8143 7.3988 7.4390 7.4623 7.5888 7.7465 7.7793 7.8391 7.8410 13.0041 13.0813 13.1127 13.2269 13.5145 13.6119 k = 0.3235 0.3852-0.0000 ( 3082 PWs) bands (ev): -1.9522 -1.9364 -1.9291 -1.9221 2.5465 2.6367 2.9918 3.1493 3.6638 3.8250 3.9569 4.0738 4.1101 4.3143 4.9373 5.0093 5.3180 5.4503 5.6048 5.7281 5.8760 5.9006 6.0631 6.1814 6.6046 6.6715 6.7264 6.8002 7.3849 7.4301 7.4344 7.5783 7.7984 7.8372 7.8734 7.8765 13.1281 13.2050 13.2399 13.3530 13.6214 13.7180 k = 0.3137 0.3852-0.0000 ( 3082 PWs) bands (ev): -2.0146 -1.9989 -1.9893 -1.9824 2.5718 2.6666 3.0080 3.1699 3.6611 3.8299 3.9551 4.0639 4.1088 4.3222 4.8685 4.9326 5.3141 5.4583 5.5934 5.7273 5.8684 5.8976 6.0824 6.2083 6.5974 6.6843 6.7388 6.7891 7.3659 7.4045 7.4182 7.5609 7.8631 7.9046 7.9212 7.9277 13.2519 13.3274 13.3667 13.4769 13.7309 13.8249 k = 0.3039 0.3852-0.0000 ( 3086 PWs) bands (ev): -2.0767 -2.0610 -2.0493 -2.0424 2.5957 2.6947 3.0241 3.1903 3.6584 3.8346 3.9502 4.0541 4.1088 4.3267 4.7981 4.8551 5.3008 5.4448 5.5929 5.7284 5.8602 5.8903 6.1053 6.2369 6.5891 6.7043 6.7523 6.7809 7.3436 7.3734 7.4027 7.5385 7.9403 7.9823 7.9832 7.9935 13.3733 13.4450 13.4913 13.5968 13.8446 13.9336 k = 0.2941 0.3852-0.0000 ( 3094 PWs) bands (ev): -2.1381 -2.1225 -2.1089 -2.1021 2.6180 2.7208 3.0399 3.2103 3.6560 3.8391 3.9422 4.0447 4.1102 4.3272 4.7281 4.7782 5.2797 5.4165 5.5975 5.7295 5.8505 5.8795 6.1304 6.2648 6.5830 6.7275 6.7641 6.7777 7.3194 7.3418 7.3838 7.5125 8.0301 8.0595 8.0707 8.0728 13.4891 13.5537 13.6116 13.7111 13.9643 14.0456 k = 0.2843 0.3852-0.0000 ( 3102 PWs) bands (ev): -2.1988 -2.1833 -2.1678 -2.1611 2.6387 2.7447 3.0554 3.2299 3.6540 3.8434 3.9312 4.0358 4.1127 4.3233 4.6604 4.7028 5.2526 5.3802 5.6015 5.7292 5.8387 5.8663 6.1564 6.2901 6.5804 6.7516 6.7662 6.7860 7.2941 7.3101 7.3621 7.4841 8.1321 8.1498 8.1647 8.1706 13.5961 13.6502 13.7258 13.8185 14.0916 14.1626 k = 0.2745 0.3852-0.0000 ( 3102 PWs) bands (ev): -2.2584 -2.2432 -2.2259 -2.2193 2.6576 2.7664 3.0706 3.2492 3.6529 3.8474 3.9171 4.0276 4.1164 4.3138 4.5975 4.6299 5.2213 5.3398 5.6027 5.7265 5.8246 5.8512 6.1821 6.3115 6.5817 6.7648 6.7751 6.7988 7.2686 7.2788 7.3383 7.4542 8.2457 8.2539 8.2690 8.2815 13.6915 13.7328 13.8320 13.9169 14.2272 14.2862 k = 0.2647 0.3852-0.0000 ( 3102 PWs) bands (ev): -2.3169 -2.3019 -2.2831 -2.2766 2.6749 2.7856 3.0853 3.2679 3.6528 3.8508 3.9000 4.0203 4.1211 4.2969 4.5421 4.5601 5.1869 5.2972 5.6007 5.7209 5.8084 5.8348 6.2064 6.3285 6.5864 6.7641 6.7969 6.8107 7.2432 7.2482 7.3128 7.4232 8.3679 8.3735 8.3848 8.4033 13.7735 13.8015 13.9285 14.0047 14.3707 14.4174 k = 0.2549 0.3852-0.0000 ( 3100 PWs) bands (ev): -2.3741 -2.3594 -2.3391 -2.3327 2.6902 2.8022 3.0995 3.2860 3.6541 3.8535 3.8799 4.0139 4.1269 4.2709 4.4942 4.4971 5.1506 5.2535 5.5957 5.7124 5.7901 5.8175 6.2288 6.3414 6.5940 6.7644 6.8164 6.8208 7.2182 7.2188 7.2862 7.3916 8.4968 8.5086 8.5117 8.5357 13.8415 13.8577 14.0142 14.0808 14.5207 14.5556 k = 0.2451 0.3852-0.0000 ( 3094 PWs) bands (ev): -2.4299 -2.4155 -2.3938 -2.3876 2.7038 2.8161 3.1130 3.3033 3.6570 3.8551 3.8567 4.0085 4.1334 4.2355 4.4325 4.4637 5.1129 5.2092 5.5882 5.7012 5.7704 5.7995 6.2492 6.3509 6.6034 6.7654 6.8285 6.8329 7.1909 7.1941 7.2592 7.3597 8.6358 8.6488 8.6543 8.6778 13.8963 13.9026 14.0887 14.1452 14.6751 14.6992 k = 0.2353 0.3852-0.0000 ( 3098 PWs) bands (ev): -2.4841 -2.4701 -2.4471 -2.4411 2.7154 2.8272 3.1258 3.3196 3.6617 3.8304 3.8549 4.0040 4.1408 4.1937 4.3756 4.4404 5.0746 5.1648 5.5785 5.6875 5.7494 5.7810 6.2674 6.3577 6.6135 6.7669 6.8335 6.8460 7.1649 7.1708 7.2321 7.3278 8.7845 8.7953 8.8090 8.8289 13.9378 13.9390 14.1519 14.1986 14.8315 14.8460 k = 0.2255 0.3852-0.0000 ( 3096 PWs) bands (ev): -2.5367 -2.5231 -2.4988 -2.4930 2.7252 2.8356 3.1376 3.3348 3.6683 3.8015 3.8520 4.0005 4.1488 4.1499 4.3238 4.4240 5.0360 5.1207 5.5668 5.6718 5.7278 5.7623 6.2837 6.3628 6.6237 6.7687 6.8357 6.8555 7.1413 7.1483 7.2058 7.2961 8.9421 8.9504 8.9719 8.9882 13.9645 13.9713 14.2045 14.2420 14.9871 14.9929 k = 0.2157 0.3852-0.0000 ( 3092 PWs) bands (ev): -2.5876 -2.5744 -2.5490 -2.5433 2.7331 2.8413 3.1485 3.3484 3.6769 3.7705 3.8450 3.9980 4.1086 4.1573 4.2773 4.4121 4.9975 5.0772 5.5536 5.6544 5.7059 5.7435 6.2982 6.3666 6.6333 6.7707 6.8350 6.8610 7.1204 7.1261 7.1811 7.2648 9.1074 9.1133 9.1418 9.1548 13.9839 13.9946 14.2473 14.2763 15.1367 15.1389 k = 0.2059 0.3852-0.0000 ( 3096 PWs) bands (ev): -2.6366 -2.6239 -2.5974 -2.5920 2.7393 2.8445 3.1581 3.3601 3.6871 3.7385 3.8323 3.9964 4.0736 4.1658 4.2365 4.4030 4.9593 5.0344 5.5388 5.6356 5.6842 5.7247 6.3111 6.3697 6.6419 6.7727 6.8313 6.8625 7.1024 7.1037 7.1589 7.2341 9.2797 9.2830 9.3181 9.3279 13.9971 14.0105 14.2812 14.3028 15.2734 15.2832 k = 0.1961 0.3852-0.0000 ( 3100 PWs) bands (ev): -2.6838 -2.6715 -2.6440 -2.6388 2.7439 2.8452 3.1663 3.3693 3.6928 3.7125 3.8129 3.9954 4.0475 4.1711 4.2041 4.3957 4.9217 4.9925 5.5228 5.6158 5.6631 5.7061 6.3228 6.3723 6.6493 6.7747 6.8249 6.8602 7.0804 7.0874 7.1401 7.2044 9.4580 9.4588 9.4999 9.5066 14.0050 14.0202 14.3075 14.3226 15.3989 15.4155 k = 0.1863 0.3852-0.0000 ( 3096 PWs) bands (ev): -2.7289 -2.7172 -2.6887 -2.6837 2.7469 2.8438 3.1729 3.3753 3.6684 3.7194 3.7872 3.9945 4.0315 4.1574 4.1956 4.3898 4.8849 4.9517 5.5056 5.5951 5.6429 5.6878 6.3333 6.3747 6.6555 6.7765 6.8161 6.8543 7.0559 7.0751 7.1251 7.1760 9.6398 9.6415 9.6862 9.6900 14.0086 14.0249 14.3273 14.3366 15.5087 15.5312 k = 0.1765 0.3852-0.0000 ( 3092 PWs) bands (ev): -2.7720 -2.7609 -2.7315 -2.7267 2.7484 2.8405 3.1776 3.3769 3.6393 3.7355 3.7573 3.9926 4.0249 4.1315 4.2035 4.3848 4.8490 4.9119 5.4875 5.5740 5.6238 5.6699 6.3429 6.3769 6.6604 6.7782 6.8051 6.8455 7.0307 7.0645 7.1135 7.1497 9.8252 9.8293 9.8764 9.8775 14.0088 14.0256 14.3416 14.3458 15.5993 15.6261 k = 0.1667 0.3852-0.0000 ( 3088 PWs) bands (ev): -2.8131 -2.8025 -2.7722 -2.7677 2.7488 2.8355 3.1802 3.3731 3.6140 3.7259 3.7539 3.9897 4.0256 4.1069 4.2139 4.3807 4.8141 4.8733 5.4688 5.5525 5.6061 5.6526 6.3518 6.3791 6.6641 6.7795 6.7927 6.8344 7.0053 7.0542 7.1045 7.1263 10.0142 10.0205 10.0680 10.0696 14.0063 14.0231 14.3511 14.3514 15.6690 15.6981 k = 0.1569 0.3852-0.0000 ( 3092 PWs) bands (ev): -2.8520 -2.8419 -2.8109 -2.8066 2.7480 2.8291 3.1803 3.3627 3.5943 3.6951 3.7737 3.9867 4.0307 4.0849 4.2251 4.3774 4.7804 4.8359 5.4496 5.5308 5.5896 5.6358 6.3599 6.3813 6.6665 6.7761 6.7832 6.8220 6.9800 7.0422 7.0977 7.1075 10.2059 10.2143 10.2609 10.2650 14.0016 14.0183 14.3533 14.3575 15.7184 15.7479 k = 0.1471 0.3852-0.0000 ( 3092 PWs) bands (ev): -2.8887 -2.8792 -2.8474 -2.8434 2.7463 2.8216 3.1780 3.3459 3.5809 3.6667 3.7948 3.9839 4.0384 4.0654 4.2365 4.3746 4.7478 4.7999 5.4304 5.5093 5.5745 5.6198 6.3675 6.3834 6.6677 6.7621 6.7834 6.8088 6.9552 7.0268 7.0926 7.0944 10.3995 10.4098 10.4551 10.4616 13.9955 14.0118 14.3530 14.3607 15.7501 15.7785 k = 0.1373 0.3852-0.0000 ( 3088 PWs) bands (ev): -2.9232 -2.9143 -2.8818 -2.8780 2.7438 2.8133 3.1730 3.3237 3.5732 3.6417 3.8167 3.9814 4.0477 4.0485 4.2481 4.3726 4.7166 4.7651 5.4114 5.4880 5.5607 5.6044 6.3746 6.3856 6.6679 6.7465 6.7844 6.7956 6.9313 7.0085 7.0865 7.0887 10.5940 10.6060 10.6498 10.6585 13.9885 14.0042 14.3508 14.3617 15.7677 15.7942 k = 0.1275 0.3852-0.0000 ( 3084 PWs) bands (ev): -2.9554 -2.9471 -2.9139 -2.9104 2.7408 2.8044 3.1656 3.2979 3.5697 3.6204 3.8390 3.9791 4.0340 4.0580 4.2597 4.3711 4.6867 4.7316 5.3930 5.4670 5.5481 5.5899 6.3812 6.3877 6.6670 6.7306 6.7827 6.7854 6.9083 6.9887 7.0819 7.0857 10.7883 10.8018 10.8438 10.8548 13.9810 13.9959 14.3474 14.3610 15.7747 15.7988 k = 0.1176 0.3852-0.0000 ( 3084 PWs) bands (ev): -2.9854 -2.9776 -2.9438 -2.9405 2.7374 2.7952 3.1559 3.2703 3.5689 3.6031 3.8614 3.9769 4.0219 4.0689 4.2712 4.3701 4.6582 4.6994 5.3755 5.4467 5.5367 5.5761 6.3874 6.3898 6.6651 6.7147 6.7704 6.7863 6.8865 6.9687 7.0794 7.0835 10.9814 10.9961 11.0360 11.0491 13.9735 13.9875 14.3431 14.3592 15.7742 15.7958 k = 0.1078 0.3852-0.0000 ( 3072 PWs) bands (ev): -3.0130 -3.0059 -2.9714 -2.9684 2.7338 2.7859 3.1445 3.2422 3.5697 3.5896 3.8832 3.9746 4.0126 4.0801 4.2825 4.3697 4.6312 4.6686 5.3591 5.4270 5.5264 5.5632 6.3919 6.3931 6.6625 6.6993 6.7590 6.7870 6.8662 6.9493 7.0781 7.0819 11.1719 11.1876 11.2252 11.2402 13.9663 13.9794 14.3384 14.3568 15.7684 15.7877 k = 0.0980 0.3852-0.0000 ( 3068 PWs) bands (ev): -3.0383 -3.0318 -2.9967 -2.9939 2.7300 2.7766 3.1318 3.2146 3.5712 3.5795 3.9036 3.9722 4.0065 4.0912 4.2935 4.3697 4.6057 4.6391 5.3439 5.4082 5.5172 5.5512 6.3940 6.3984 6.6591 6.6845 6.7486 6.7871 6.8476 6.9310 7.0774 7.0807 11.3584 11.3746 11.4098 11.4265 13.9597 13.9718 14.3338 14.3540 15.7592 15.7763 k = 0.0882 0.3852-0.0000 ( 3072 PWs) bands (ev): -3.0611 -3.0553 -3.0196 -3.0171 2.7264 2.7676 3.1187 3.1884 3.5724 3.5729 3.9209 3.9697 4.0050 4.1020 4.3040 4.3701 4.5817 4.6110 5.3303 5.3903 5.5091 5.5401 6.3961 6.4031 6.6551 6.6706 6.7393 6.7863 6.8313 6.9139 7.0770 7.0798 11.5391 11.5555 11.5881 11.6063 13.9541 13.9651 14.3295 14.3512 15.7479 15.7629 k = 0.0784 0.3852-0.0000 ( 3080 PWs) bands (ev): -3.0816 -3.0764 -3.0402 -3.0380 2.7229 2.7589 3.1055 3.1638 3.5677 3.5744 3.9333 3.9672 4.0095 4.1120 4.3142 4.3709 4.5593 4.5844 5.3183 5.3734 5.5021 5.5298 6.3981 6.4073 6.6506 6.6577 6.7310 6.7833 6.8186 6.8983 7.0768 7.0791 11.7120 11.7282 11.7582 11.7776 13.9496 13.9595 14.3259 14.3486 15.7356 15.7486 k = 0.0686 0.3852-0.0000 ( 3074 PWs) bands (ev): -3.0997 -3.0951 -3.0583 -3.0564 2.7198 2.7508 3.0930 3.1413 3.5649 3.5756 3.9402 3.9646 4.0205 4.1211 4.3239 4.3722 4.5386 4.5594 5.3080 5.3578 5.4961 5.5205 6.4003 6.4109 6.6458 6.6464 6.7241 6.7767 6.8111 6.8843 7.0768 7.0786 11.8748 11.8903 11.9179 11.9380 13.9465 13.9553 14.3233 14.3463 15.7228 15.7340 k = 0.0588 0.3852-0.0000 ( 3080 PWs) bands (ev): -3.1154 -3.1114 -3.0741 -3.0725 2.7171 2.7433 3.0816 3.1211 3.5636 3.5764 3.9431 3.9620 4.0360 4.1287 4.3332 4.3736 4.5196 4.5361 5.2996 5.3434 5.4911 5.5122 6.4025 6.4137 6.6366 6.6408 6.7184 6.7671 6.8083 6.8717 7.0768 7.0781 12.0250 12.0392 12.0648 12.0851 13.9449 13.9525 14.3218 14.3445 15.7103 15.7197 k = 0.0490 0.3852-0.0000 ( 3080 PWs) bands (ev): -3.1286 -3.1253 -3.0875 -3.0861 2.7150 2.7365 3.0718 3.1034 3.5635 3.5766 3.9440 3.9593 4.0535 4.1347 4.3420 4.3753 4.5026 4.5148 5.2931 5.3304 5.4872 5.5049 6.4047 6.4159 6.6285 6.6358 6.7142 6.7564 6.8083 6.8607 7.0769 7.0779 12.1597 12.1721 12.1963 12.2160 13.9448 13.9511 14.3216 14.3430 15.6985 15.7063 k = 0.0392 0.3852-0.0000 ( 3080 PWs) bands (ev): -3.1394 -3.1367 -3.0984 -3.0973 2.7135 2.7305 3.0637 3.0883 3.5643 3.5763 3.9444 3.9568 4.0713 4.1386 4.3503 4.3771 4.4876 4.4959 5.2884 5.3189 5.4843 5.4985 6.4069 6.4172 6.6224 6.6309 6.7115 6.7461 6.8097 6.8509 7.0770 7.0777 12.2758 12.2860 12.3097 12.3278 13.9458 13.9509 14.3226 14.3417 15.6880 15.6942 k = 0.0294 0.3852-0.0000 ( 3080 PWs) bands (ev): -3.1477 -3.1457 -3.1068 -3.1060 2.7127 2.7253 3.0579 3.0759 3.5656 3.5755 3.9448 3.9543 4.0882 4.1401 4.3581 4.3786 4.4749 4.4799 5.2858 5.3090 5.4825 5.4932 6.4092 6.4177 6.6182 6.6262 6.7103 6.7368 6.8121 6.8425 7.0771 7.0776 12.3702 12.3780 12.4024 12.4176 13.9477 13.9515 14.3247 14.3404 15.6793 15.6839 k = 0.0196 0.3852-0.0000 ( 3084 PWs) bands (ev): -3.1535 -3.1522 -3.1128 -3.1123 2.7126 2.7210 3.0544 3.0662 3.5673 3.5743 3.9455 3.9519 4.1034 4.1387 4.3652 4.3793 4.4651 4.4675 5.2850 5.3006 5.4817 5.4888 6.4114 6.4175 6.6158 6.6221 6.7108 6.7286 6.8152 6.8352 7.0771 7.0774 12.4402 12.4453 12.4718 12.4829 13.9499 13.9524 14.3276 14.3388 15.6727 15.6758 k = 0.0098 0.3852-0.0000 ( 3084 PWs) bands (ev): -3.1569 -3.1562 -3.1164 -3.1161 2.7134 2.7176 3.0534 3.0592 3.5691 3.5728 3.9465 3.9498 4.1165 4.1343 4.3714 4.3786 4.4587 4.4596 5.2861 5.2940 5.4819 5.4855 6.4134 6.4166 6.6153 6.6187 6.7129 6.7219 6.8190 6.8289 7.0772 7.0773 12.4836 12.4862 12.5158 12.5216 13.9518 13.9530 14.3309 14.3367 15.6689 15.6704 k = 0.0000 0.3852-0.0000 ( 3080 PWs) bands (ev): -3.1578 -3.1578 -3.1175 -3.1175 2.7150 2.7150 3.0550 3.0550 3.5710 3.5710 3.9480 3.9480 4.1269 4.1269 4.3760 4.3760 4.4567 4.4567 5.2892 5.2892 5.4832 5.4832 6.4152 6.4152 6.6163 6.6163 6.7167 6.7167 6.8236 6.8236 7.0773 7.0773 12.4991 12.4991 12.5327 12.5327 13.9529 13.9529 14.3340 14.3340 15.6681 15.6681 k = 0.0000 0.3852-0.0000 ( 3080 PWs) bands (ev): -3.1578 -3.1578 -3.1175 -3.1175 2.7150 2.7150 3.0550 3.0550 3.5710 3.5710 3.9480 3.9480 4.1269 4.1269 4.3760 4.3760 4.4567 4.4567 5.2892 5.2892 5.4832 5.4832 6.4152 6.4152 6.6163 6.6163 6.7167 6.7167 6.8236 6.8236 7.0773 7.0773 12.4991 12.4991 12.5327 12.5327 13.9529 13.9529 14.3340 14.3340 15.6681 15.6681 k = 0.0000 0.3753-0.0000 ( 3084 PWs) bands (ev): -3.1720 -3.1679 -3.1089 -3.1045 2.7047 2.7249 3.0505 3.0583 3.5667 3.5811 3.9366 3.9558 4.1191 4.1327 4.3572 4.3893 4.4517 4.4572 5.2793 5.3123 5.4699 5.5046 6.4165 6.4178 6.6022 6.6298 6.7086 6.7257 6.8227 6.8245 7.0768 7.0813 12.4730 12.4917 12.5374 12.5583 13.9436 13.9466 14.3299 14.3328 15.6679 15.6780 k = 0.0000 0.3654-0.0000 ( 3090 PWs) bands (ev): -3.1955 -3.1908 -3.0904 -3.0849 2.6940 2.7339 3.0451 3.0605 3.5679 3.5970 3.9215 3.9598 4.1100 4.1361 4.3332 4.3960 4.4437 4.4545 5.2822 5.3466 5.4654 5.5340 6.4215 6.4242 6.5879 6.6414 6.7026 6.7351 6.8219 6.8259 7.0800 7.0888 12.4421 12.4615 12.5618 12.5855 13.9201 13.9252 14.3205 14.3255 15.6783 15.6973 k = 0.0000 0.3556-0.0000 ( 3088 PWs) bands (ev): -3.2219 -3.2172 -3.0710 -3.0651 2.6831 2.7420 3.0389 3.0612 3.5744 3.6187 3.9027 3.9595 4.1000 4.1365 4.3055 4.3936 4.4348 4.4530 5.2960 5.3861 5.4732 5.5712 6.4304 6.4347 6.5737 6.6496 6.7003 6.7445 6.8213 6.8285 7.0870 7.0995 12.4094 12.4283 12.5860 12.6117 13.8846 13.8906 14.3049 14.3106 15.7000 15.7262 k = 0.0000 0.3457-0.0000 ( 3088 PWs) bands (ev): -3.2499 -3.2454 -3.0524 -3.0463 2.6720 2.7487 3.0322 3.0606 3.5857 3.6461 3.8801 3.9541 4.0895 4.1330 4.2769 4.3818 4.4265 4.4558 5.3180 5.4189 5.5021 5.6156 6.4428 6.4493 6.5599 6.6527 6.7026 6.7537 6.8215 6.8329 7.0978 7.1135 12.3750 12.3934 12.6087 12.6365 13.8400 13.8453 14.2823 14.2872 15.7334 15.7650 k = 0.0000 0.3358-0.0000 ( 3084 PWs) bands (ev): -3.2792 -3.2748 -3.0352 -3.0289 2.6608 2.7538 3.0251 3.0586 3.6006 3.6789 3.8545 3.9422 4.0791 4.1255 4.2513 4.3649 4.4195 4.4616 5.3456 5.4402 5.5536 5.6662 6.4587 6.4680 6.5465 6.6521 6.7078 6.7629 6.8236 6.8396 7.1124 7.1305 12.3393 12.3572 12.6295 12.6596 13.7886 13.7920 14.2524 14.2551 15.7781 15.8137 k = 0.0000 0.3259-0.0000 ( 3086 PWs) bands (ev): -3.3095 -3.3053 -3.0193 -3.0129 2.6495 2.7570 3.0178 3.0551 3.6171 3.7164 3.8276 3.9227 4.0692 4.1148 4.2311 4.3469 4.4138 4.4686 5.3768 5.4578 5.6170 5.7213 6.4774 6.4906 6.5337 6.6504 6.7125 6.7729 6.8290 6.8488 7.1309 7.1506 12.3023 12.3199 12.6483 12.6812 13.7328 13.7328 14.2149 14.2151 15.8329 15.8715 k = 0.0000 0.3160-0.0000 ( 3090 PWs) bands (ev): -3.3406 -3.3366 -3.0050 -2.9984 2.6380 2.7579 3.0106 3.0504 3.6308 3.7561 3.8040 3.8972 4.0602 4.1036 4.2166 4.3305 4.4095 4.4760 5.4105 5.4764 5.6849 5.7791 6.4977 6.5162 6.5219 6.6503 6.7145 6.7853 6.8388 6.8605 7.1532 7.1738 12.2642 12.2815 12.6649 12.7011 13.6696 13.6744 14.1674 14.1714 15.8961 15.9372 k = 0.0000 0.3062-0.0000 ( 3094 PWs) bands (ev): -3.3724 -3.3686 -2.9921 -2.9854 2.6262 2.7563 3.0036 3.0445 3.6334 3.7874 3.7920 3.8772 4.0524 4.0942 4.2059 4.3173 4.4064 4.4835 5.4459 5.4972 5.7536 5.8376 6.5054 6.5239 6.5421 6.6554 6.7130 6.8024 6.8536 6.8745 7.1794 7.2003 12.2250 12.2421 12.6791 12.7194 13.6038 13.6147 14.1138 14.1221 15.9657 16.0093 k = 0.0000 0.2963-0.0000 ( 3094 PWs) bands (ev): -3.4048 -3.4012 -2.9807 -2.9739 2.6139 2.7517 2.9972 3.0376 3.6178 3.7787 3.7982 3.8958 4.0465 4.0875 4.1977 4.3084 4.4044 4.4909 5.4826 5.5204 5.8210 5.8951 6.4948 6.5435 6.5631 6.6711 6.7085 6.8264 6.8735 6.8910 7.2097 7.2304 12.1849 12.2018 12.6909 12.7359 13.5364 13.5550 14.0551 14.0684 16.0398 16.0858 k = 0.0000 0.2864-0.0000 ( 3094 PWs) bands (ev): -3.4375 -3.4341 -2.9708 -2.9639 2.6010 2.7439 2.9914 3.0299 3.5872 3.7401 3.8188 3.9442 4.0428 4.0838 4.1911 4.3047 4.4035 4.4985 5.5202 5.5456 5.8855 5.9500 6.4832 6.5615 6.5748 6.6992 6.7035 6.8580 6.8988 6.9114 7.2443 7.2642 12.1440 12.1609 12.7000 12.7508 13.4683 13.4963 13.9924 14.0111 16.1158 16.1646 k = 0.0000 0.2765-0.0000 ( 3102 PWs) bands (ev): -3.4705 -3.4674 -2.9622 -2.9553 2.5873 2.7328 2.9867 3.0216 3.5490 3.6939 3.8450 3.9978 4.0422 4.0851 4.1868 4.3073 4.4036 4.5065 5.5583 5.5726 5.9460 6.0014 6.4715 6.5758 6.5785 6.6929 6.7424 6.8928 6.9306 6.9414 7.2833 7.3021 12.1025 12.1193 12.7062 12.7639 13.4000 13.4395 13.9264 13.9511 16.1912 16.2431 k = 0.0000 0.2667-0.0000 ( 3098 PWs) bands (ev): -3.5037 -3.5007 -2.9551 -2.9481 2.5726 2.7181 2.9830 3.0129 3.5079 3.6462 3.8700 4.0383 4.0453 4.1003 4.1890 4.3173 4.4050 4.5157 5.5967 5.6010 6.0020 6.0487 6.4597 6.5778 6.5861 6.6836 6.7877 6.9211 6.9714 6.9900 7.3270 7.3445 12.0603 12.0771 12.7093 12.7754 13.3319 13.3853 13.8577 13.8892 16.2624 16.3182 k = 0.0000 0.2568-0.0000 ( 3092 PWs) bands (ev): -3.5369 -3.5341 -2.9492 -2.9422 2.5567 2.7001 2.9806 3.0041 3.4661 3.5988 3.8897 4.0517 4.0520 4.1257 4.2126 4.3355 4.4083 4.5271 5.6302 5.6350 6.0535 6.0918 6.4479 6.5746 6.5933 6.6739 6.8315 6.9436 7.0236 7.0552 7.3757 7.3918 12.0178 12.0346 12.7089 12.7851 13.2644 13.3345 13.7870 13.8260 16.3240 16.3854 k = 0.0000 0.2469-0.0000 ( 3092 PWs) bands (ev): -3.5699 -3.5673 -2.9445 -2.9376 2.5395 2.6786 2.9793 2.9954 3.4251 3.5530 3.9026 4.0539 4.0611 4.1333 4.2664 4.3610 4.4156 4.5431 5.6601 5.6731 6.1006 6.1308 6.4360 6.5698 6.5982 6.6643 6.8706 6.9641 7.0882 7.1308 7.4296 7.4444 11.9749 11.9918 12.7049 12.7932 13.1977 13.2876 13.7144 13.7620 16.3647 16.4343 k = 0.0000 0.2370-0.0000 ( 3084 PWs) bands (ev): -3.6027 -3.6002 -2.9410 -2.9341 2.5209 2.6542 2.9792 2.9870 3.3856 3.5093 3.9096 4.0535 4.0704 4.1305 4.3261 4.3900 4.4348 4.5679 5.6901 5.7106 6.1437 6.1660 6.4239 6.5636 6.6018 6.6555 6.9046 6.9841 7.1635 7.2133 7.4889 7.5028 11.9319 11.9489 12.6969 12.7995 13.1317 13.2451 13.6404 13.6978 16.3486 16.4106 k = 0.0000 0.2272-0.0000 ( 3084 PWs) bands (ev): -3.6351 -3.6328 -2.9385 -2.9317 2.5007 2.6270 2.9791 2.9801 3.3482 3.4680 3.9124 4.0524 4.0783 4.1244 4.3641 4.4164 4.4841 4.6068 5.7201 5.7473 6.1833 6.1977 6.4119 6.5558 6.6047 6.6476 6.9349 7.0040 7.2467 7.3000 7.5538 7.5675 11.8888 11.9061 12.6849 12.8041 13.0664 13.2073 13.5651 13.6339 16.2241 16.2499 k = 0.0000 0.2173-0.0000 ( 3086 PWs) bands (ev): -3.6670 -3.6649 -2.9370 -2.9303 2.4791 2.5975 2.9719 2.9819 3.3129 3.4294 3.9126 4.0510 4.0845 4.1170 4.3788 4.4354 4.5616 4.6626 5.7499 5.7830 6.2199 6.2260 6.4000 6.5465 6.6074 6.6411 6.9628 7.0239 7.3349 7.3889 7.6247 7.6390 11.8459 11.8633 12.6688 12.8070 13.0016 13.1743 13.4888 13.5705 16.0326 16.0440 k = 0.0000 0.2074-0.0000 ( 3086 PWs) bands (ev): -3.6983 -3.6963 -2.9363 -2.9297 2.4562 2.5663 2.9655 2.9844 3.2801 3.3936 3.9113 4.0496 4.0890 4.1092 4.3850 4.4472 4.6517 4.7334 5.7795 5.8176 6.2508 6.2537 6.3889 6.5356 6.6101 6.6362 6.9890 7.0438 7.4259 7.4783 7.7014 7.7174 11.8032 11.8209 12.6488 12.8082 12.9369 13.1457 13.4117 13.5084 15.8200 15.8260 k = 0.0000 0.1975-0.0000 ( 3099 PWs) bands (ev): -3.7288 -3.7270 -2.9365 -2.9300 2.4320 2.5336 2.9598 2.9875 3.2496 3.3605 3.9092 4.0482 4.0923 4.1010 4.3882 4.4537 4.7476 4.8156 5.8089 5.8510 6.2712 6.2851 6.3795 6.5234 6.6131 6.6326 7.0141 7.0637 7.5179 7.5670 7.7841 7.8026 11.7610 11.7788 12.6251 12.8077 12.8718 13.1211 13.3342 13.4479 15.6015 15.6052 k = 0.0000 0.1877-0.0000 ( 3093 PWs) bands (ev): -3.7585 -3.7568 -2.9373 -2.9310 2.4068 2.5001 2.9551 2.9911 3.2215 3.3302 3.9068 4.0469 4.0929 4.0947 4.3902 4.4569 4.8468 4.9058 5.8384 5.8834 6.2858 6.3143 6.3741 6.5101 6.6165 6.6304 7.0384 7.0836 7.6096 7.6544 7.8727 7.8941 11.7194 11.7374 12.5978 12.8021 12.8092 13.0995 13.2572 13.3897 15.3832 15.3860 k = 0.0000 0.1778-0.0000 ( 3091 PWs) bands (ev): -3.7873 -3.7858 -2.9387 -2.9325 2.3810 2.4662 2.9512 2.9950 3.1957 3.3024 3.9043 4.0456 4.0849 4.0965 4.3915 4.4578 4.9479 5.0018 5.8684 5.9148 6.2916 6.3413 6.3754 6.4962 6.6204 6.6293 7.0620 7.1033 7.6997 7.7400 7.9668 7.9911 11.6785 11.6968 12.5670 12.7372 12.8026 13.0785 13.1828 13.3343 15.1685 15.1710 k = 0.0000 0.1679-0.0000 ( 3087 PWs) bands (ev): -3.8151 -3.8136 -2.9406 -2.9346 2.3548 2.4322 2.9480 2.9990 3.1722 3.2772 3.9020 4.0441 4.0774 4.0979 4.3923 4.4571 5.0495 5.1016 5.8995 5.9457 6.2888 6.3660 6.3838 6.4821 6.6247 6.6292 7.0851 7.1229 7.7873 7.8235 8.0660 8.0926 11.6385 11.6570 12.5322 12.6665 12.7976 13.0511 13.1184 13.2823 14.9592 14.9621 k = 0.0000 0.1580-0.0000 ( 3083 PWs) bands (ev): -3.8417 -3.8404 -2.9429 -2.9372 2.3284 2.3986 2.9455 3.0029 3.1509 3.2544 3.9000 4.0421 4.0706 4.0990 4.3929 4.4553 5.1503 5.2037 5.9325 5.9765 6.2802 6.3879 6.3966 6.4686 6.6293 6.6298 7.1075 7.1421 7.8714 7.9046 8.1701 8.1978 11.5995 11.6183 12.4926 12.5924 12.7913 13.0013 13.0805 13.2341 14.7571 14.7606 k = 0.0000 0.1481-0.0000 ( 3083 PWs) bands (ev): -3.8671 -3.8659 -2.9455 -2.9400 2.3024 2.3657 2.9435 3.0064 3.1319 3.2338 3.8984 4.0392 4.0651 4.0999 4.3932 4.4526 5.2486 5.3063 5.9682 6.0077 6.2687 6.4048 6.4111 6.4580 6.6311 6.6342 7.1294 7.1609 7.9513 7.9823 8.2784 8.3062 11.5618 11.5808 12.4468 12.5140 12.7839 12.9376 13.0620 13.1901 14.5635 14.5681 k = 0.0000 0.1383-0.0000 ( 3079 PWs) bands (ev): -3.8913 -3.8902 -2.9483 -2.9431 2.2768 2.3338 2.9420 3.0092 3.1155 3.2154 3.8971 4.0347 4.0613 4.1005 4.3934 4.4493 5.3426 5.4075 6.0082 6.0405 6.2561 6.4115 6.4260 6.4562 6.6331 6.6395 7.1504 7.1792 8.0258 8.0557 8.3908 8.4174 11.5254 11.5445 12.3927 12.4311 12.7751 12.8751 13.0495 13.1505 14.3798 14.3857 k = 0.0000 0.1284-0.0000 ( 3089 PWs) bands (ev): -3.9141 -3.9131 -2.9513 -2.9464 2.2520 2.3031 2.9408 3.0106 3.1018 3.1989 3.8963 4.0288 4.0593 4.1009 4.3935 4.4455 5.4302 5.5052 6.0534 6.0760 6.2432 6.4056 6.4406 6.4655 6.6355 6.6448 7.1707 7.1969 8.0941 8.1238 8.5067 8.5313 11.4903 11.5098 12.3289 12.3433 12.7649 12.8187 13.0392 13.1153 14.2073 14.2148 k = 0.0000 0.1185-0.0000 ( 3091 PWs) bands (ev): -3.9354 -3.9346 -2.9544 -2.9498 2.2283 2.2740 2.9398 3.0102 3.0915 3.1845 3.8961 4.0219 4.0588 4.1012 4.3935 4.4415 5.5093 5.5963 6.1048 6.1157 6.2314 6.3951 6.4547 6.4788 6.6385 6.6503 7.1901 7.2138 8.1552 8.1853 8.6259 8.6477 11.4568 11.4765 12.2508 12.2542 12.7527 12.7702 13.0301 13.0847 14.0472 14.0567 k = 0.0000 0.1086-0.0000 ( 3091 PWs) bands (ev): -3.9553 -3.9545 -2.9575 -2.9532 2.2058 2.2464 2.9389 3.0075 3.0847 3.1718 3.8964 4.0145 4.0592 4.1013 4.3934 4.4372 5.5785 5.6779 6.1587 6.1616 6.2239 6.3856 6.4683 6.4921 6.6421 6.6559 7.2086 7.2300 8.2085 8.2392 8.7478 8.7664 11.4246 11.4447 12.1541 12.1693 12.7292 12.7377 13.0220 13.0589 13.9009 13.9127 k = 0.0000 0.0988-0.0000 ( 3095 PWs) bands (ev): -3.9737 -3.9730 -2.9605 -2.9566 2.1848 2.2207 2.9382 3.0026 3.0813 3.1607 3.8972 4.0068 4.0602 4.1011 4.3934 4.4329 5.6373 5.7472 6.1863 6.2194 6.2412 6.3825 6.4813 6.5042 6.6462 6.6615 7.2260 7.2451 8.2533 8.2846 8.8720 8.8871 11.3938 11.4143 12.0538 12.0756 12.6940 12.7188 13.0151 13.0384 13.7697 13.7838 k = 0.0000 0.0889-0.0000 ( 3097 PWs) bands (ev): -3.9904 -3.9898 -2.9634 -2.9598 2.1655 2.1970 2.9375 2.9960 3.0806 3.1512 3.8986 3.9989 4.0618 4.1007 4.3934 4.4286 5.6862 5.8026 6.1847 6.2641 6.2975 6.3983 6.4942 6.5148 6.6510 6.6671 7.2423 7.2592 8.2894 8.3210 8.9976 9.0093 11.3638 11.3849 11.9514 11.9755 12.6625 12.6950 13.0095 13.0239 13.6545 13.6707 k = 0.0000 0.0790-0.0000 ( 3099 PWs) bands (ev): -4.0055 -4.0050 -2.9661 -2.9629 2.1480 2.1753 2.9369 2.9887 3.0817 3.1430 3.9006 3.9910 4.0637 4.1000 4.3934 4.4243 5.7267 5.8445 6.1780 6.2807 6.3659 6.4456 6.5080 6.5236 6.6566 6.6730 7.2573 7.2721 8.3168 8.3483 9.1238 9.1321 11.3341 11.3560 11.8485 11.8718 12.6325 12.6660 13.0061 13.0155 13.5558 13.5736 k = 0.0000 0.0691-0.0000 ( 3101 PWs) bands (ev): -4.0189 -4.0184 -2.9686 -2.9658 2.1324 2.1558 2.9365 2.9811 3.0839 3.1360 3.9030 3.9833 4.0660 4.0991 4.3936 4.4202 5.7603 5.8746 6.1721 6.2782 6.4335 6.5112 6.5261 6.5311 6.6640 6.6797 7.2709 7.2837 8.3359 8.3667 9.2493 9.2544 11.3033 11.3265 11.7478 11.7680 12.6027 12.6328 13.0054 13.0131 13.4735 13.4919 k = 0.0000 0.0593-0.0000 ( 3103 PWs) bands (ev): -4.0306 -4.0302 -2.9708 -2.9684 2.1189 2.1386 2.9363 2.9738 3.0868 3.1301 3.9060 3.9755 4.0684 4.0979 4.3938 4.4164 5.7885 5.8949 6.1683 6.2688 6.4832 6.5363 6.5593 6.5779 6.6759 6.6886 7.2830 7.2939 8.3475 8.3768 9.3724 9.3746 11.2694 11.2943 11.6533 11.6685 12.5726 12.5970 13.0079 13.0157 13.4064 13.4243 k = 0.0000 0.0494-0.0000 ( 3113 PWs) bands (ev): -4.0406 -4.0402 -2.9727 -2.9707 2.1075 2.1237 2.9363 2.9669 3.0899 3.1249 3.9095 3.9680 4.0711 4.0964 4.3942 4.4128 5.8125 5.9072 6.1670 6.2570 6.5067 6.5404 6.6071 6.6268 6.7021 6.7044 7.2935 7.3025 8.3529 8.3798 9.4906 9.4908 11.2299 11.2562 11.5701 11.5795 12.5429 12.5611 13.0137 13.0222 13.3531 13.3691 k = 0.0000 0.0395-0.0000 ( 3113 PWs) bands (ev): -4.0487 -4.0485 -2.9743 -2.9726 2.0984 2.1112 2.9366 2.9607 3.0932 3.1204 3.9136 3.9607 4.0739 4.0946 4.3948 4.4095 5.8334 5.9130 6.1685 6.2445 6.5189 6.5431 6.6423 6.6488 6.7358 6.7479 7.3024 7.3095 8.3538 8.3773 9.5992 9.6012 11.1829 11.2092 11.5035 11.5077 12.5151 12.5279 13.0223 13.0311 13.3114 13.3247 k = 0.0000 0.0296-0.0000 ( 3113 PWs) bands (ev): -4.0551 -4.0549 -2.9755 -2.9743 2.0915 2.1011 2.9374 2.9551 3.0964 3.1164 3.9181 3.9536 4.0768 4.0926 4.3957 4.4065 5.8516 5.9136 6.1726 6.2318 6.5271 6.5444 6.6581 6.6581 6.7789 6.7949 7.3096 7.3149 8.3523 8.3712 9.6957 9.6988 11.1308 11.1542 11.4560 11.4571 12.4912 12.4996 13.0325 13.0408 13.2799 13.2899 k = 0.0000 0.0198-0.0000 ( 3105 PWs) bands (ev): -4.0596 -4.0595 -2.9763 -2.9755 2.0871 2.0934 2.9388 2.9504 3.0997 3.1128 3.9231 3.9469 4.0797 4.0904 4.3967 4.4039 5.8676 5.9100 6.1790 6.2195 6.5332 6.5446 6.6632 6.6646 6.8187 6.8316 7.3150 7.3186 8.3504 8.3637 9.7741 9.7772 11.0821 11.0996 11.4257 11.4259 12.4730 12.4779 13.0428 13.0493 13.2576 13.2640 k = 0.0000 0.0099-0.0000 ( 3101 PWs) bands (ev): -4.0624 -4.0623 -2.9767 -2.9763 2.0850 2.0882 2.9407 2.9464 3.1029 3.1094 3.9285 3.9404 4.0826 4.0880 4.3981 4.4016 5.8816 5.9031 6.1873 6.2078 6.5379 6.5435 6.6662 6.6672 6.8465 6.8535 7.3187 7.3205 8.3499 8.3568 9.8266 9.8285 11.0483 11.0576 11.4092 11.4095 12.4618 12.4640 13.0512 13.0548 13.2442 13.2473 k = 0.0000 0.0000 0.0000 ( 3105 PWs) bands (ev): -4.0633 -4.0633 -2.9767 -2.9767 2.0854 2.0854 2.9432 2.9432 3.1062 3.1062 3.9342 3.9342 4.0853 4.0853 4.3997 4.3997 5.8934 5.8934 6.1969 6.1969 6.5412 6.5412 6.6675 6.6675 6.8585 6.8585 7.3205 7.3205 8.3519 8.3519 9.8459 9.8459 11.0389 11.0389 11.4042 11.4042 12.4587 12.4587 13.0556 13.0556 13.2407 13.2407 k = 0.0000 0.0000 0.0000 ( 3105 PWs) bands (ev): -4.0633 -4.0633 -2.9767 -2.9767 2.0854 2.0854 2.9432 2.9432 3.1062 3.1062 3.9342 3.9342 4.0853 4.0853 4.3997 4.3997 5.8934 5.8934 6.1969 6.1969 6.5412 6.5412 6.6675 6.6675 6.8585 6.8585 7.3205 7.3205 8.3519 8.3519 9.8459 9.8459 11.0389 11.0389 11.4042 11.4042 12.4587 12.4587 13.0556 13.0556 13.2407 13.2407 k = 0.0000 0.0000 0.0099 ( 3105 PWs) bands (ev): -4.0623 -4.0623 -2.9783 -2.9783 2.0872 2.0872 2.9427 2.9427 3.1061 3.1061 3.9342 3.9342 4.0863 4.0863 4.4002 4.4002 5.8938 5.8938 6.1968 6.1968 6.5412 6.5412 6.6676 6.6676 6.8594 6.8594 7.3205 7.3205 8.3446 8.3446 9.8411 9.8411 11.0454 11.0454 11.4072 11.4072 12.4586 12.4586 13.0530 13.0530 13.2475 13.2475 k = 0.0000 0.0000 0.0197 ( 3100 PWs) bands (ev): -4.0596 -4.0596 -2.9831 -2.9831 2.0926 2.0926 2.9411 2.9411 3.1058 3.1058 3.9341 3.9341 4.0892 4.0892 4.4017 4.4017 5.8949 5.8949 6.1962 6.1962 6.5411 6.5411 6.6679 6.6679 6.8620 6.8620 7.3205 7.3205 8.3230 8.3230 9.8271 9.8271 11.0641 11.0641 11.4166 11.4166 12.4586 12.4586 13.0456 13.0456 13.2674 13.2674 k = 0.0000 0.0000 0.0296 ( 3104 PWs) bands (ev): -4.0550 -4.0550 -2.9909 -2.9909 2.1014 2.1014 2.9385 2.9385 3.1053 3.1053 3.9339 3.9339 4.0940 4.0940 4.4043 4.4043 5.8967 5.8967 6.1953 6.1953 6.5408 6.5408 6.6684 6.6684 6.8663 6.8663 7.3205 7.3205 8.2880 8.2880 9.8042 9.8042 11.0932 11.0932 11.4328 11.4328 12.4586 12.4586 13.0341 13.0341 13.2995 13.2995 k = 0.0000 0.0000 0.0395 ( 3100 PWs) bands (ev): -4.0485 -4.0485 -3.0018 -3.0018 2.1137 2.1137 2.9349 2.9349 3.1047 3.1047 3.9337 3.9337 4.1006 4.1006 4.4080 4.4080 5.8991 5.8991 6.1939 6.1939 6.5404 6.5404 6.6691 6.6691 6.8723 6.8723 7.3204 7.3204 8.2410 8.2410 9.7735 9.7735 11.1300 11.1300 11.4571 11.4571 12.4586 12.4586 13.0191 13.0191 13.3427 13.3427 k = 0.0000 0.0000 0.0493 ( 3110 PWs) bands (ev): -4.0403 -4.0403 -3.0156 -3.0156 2.1291 2.1291 2.9302 2.9302 3.1039 3.1039 3.9334 3.9334 4.1087 4.1087 4.4129 4.4129 5.9020 5.9020 6.1920 6.1920 6.5399 6.5399 6.6698 6.6698 6.8800 6.8800 7.3202 7.3202 8.1837 8.1837 9.7357 9.7357 11.1709 11.1709 11.4909 11.4909 12.4588 12.4588 13.0008 13.0008 13.3958 13.3958 k = 0.0000 0.0000 0.0592 ( 3114 PWs) bands (ev): -4.0303 -4.0303 -3.0321 -3.0321 2.1474 2.1474 2.9246 2.9246 3.1030 3.1030 3.9331 3.9331 4.1181 4.1181 4.4194 4.4194 5.9054 5.9054 6.1896 6.1896 6.5393 6.5393 6.6708 6.6708 6.8894 6.8894 7.3201 7.3201 8.1179 8.1179 9.6920 9.6920 11.2124 11.2124 11.5353 11.5353 12.4592 12.4592 12.9795 12.9795 13.4579 13.4579 k = 0.0000 0.0000 0.0691 ( 3120 PWs) bands (ev): -4.0186 -4.0186 -3.0513 -3.0513 2.1684 2.1684 2.9181 2.9181 3.1018 3.1018 3.9328 3.9328 4.1286 4.1286 4.4276 4.4276 5.9090 5.9090 6.1867 6.1867 6.5385 6.5385 6.6720 6.6720 6.9005 6.9005 7.3199 7.3199 8.0455 8.0455 9.6434 9.6434 11.2519 11.2519 11.5907 11.5907 12.4600 12.4600 12.9555 12.9555 13.5278 13.5278 k = 0.0000 0.0000 0.0789 ( 3118 PWs) bands (ev): -4.0052 -4.0052 -3.0728 -3.0728 2.1918 2.1918 2.9105 2.9105 3.1005 3.1005 3.9325 3.9325 4.1399 4.1399 4.4376 4.4376 5.9129 5.9129 6.1832 6.1832 6.5377 6.5377 6.6733 6.6733 6.9131 6.9131 7.3197 7.3197 7.9684 7.9684 9.5911 9.5911 11.2883 11.2883 11.6558 11.6558 12.4613 12.4613 12.9290 12.9290 13.6044 13.6044 k = 0.0000 0.0000 0.0888 ( 3118 PWs) bands (ev): -3.9901 -3.9901 -3.0965 -3.0965 2.2172 2.2172 2.9021 2.9021 3.0991 3.0991 3.9322 3.9322 4.1515 4.1515 4.4499 4.4499 5.9167 5.9167 6.1790 6.1790 6.5366 6.5366 6.6747 6.6747 6.9273 6.9273 7.3193 7.3193 7.8882 7.8882 9.5359 9.5359 11.3217 11.3217 11.7284 11.7284 12.4632 12.4632 12.9003 12.9003 13.6864 13.6864 k = 0.0000 0.0000 0.0987 ( 3114 PWs) bands (ev): -3.9735 -3.9735 -3.1221 -3.1221 2.2443 2.2443 2.8928 2.8928 3.0975 3.0975 3.9318 3.9318 4.1631 4.1631 4.4645 4.4645 5.9203 5.9203 6.1742 6.1742 6.5355 6.5355 6.6764 6.6764 6.9427 6.9427 7.3189 7.3189 7.8066 7.8066 9.4790 9.4790 11.3527 11.3527 11.8055 11.8055 12.4660 12.4660 12.8698 12.8698 13.7726 13.7726 k = 0.0000 0.0000 0.1085 ( 3118 PWs) bands (ev): -3.9554 -3.9554 -3.1494 -3.1494 2.2728 2.2728 2.8825 2.8825 3.0959 3.0959 3.9316 3.9316 4.1743 4.1743 4.4816 4.4816 5.9235 5.9235 6.1685 6.1685 6.5341 6.5341 6.6781 6.6781 6.9594 6.9594 7.3183 7.3183 7.7250 7.7250 9.4213 9.4213 11.3821 11.3821 11.8840 11.8840 12.4699 12.4699 12.8379 12.8379 13.8612 13.8612 k = 0.0000 0.0000 0.1184 ( 3114 PWs) bands (ev): -3.9359 -3.9359 -3.1782 -3.1782 2.3022 2.3022 2.8715 2.8715 3.0942 3.0942 3.9313 3.9313 4.1849 4.1849 4.5012 4.5012 5.9261 5.9261 6.1621 6.1621 6.5327 6.5327 6.6801 6.6801 6.9769 6.9769 7.3174 7.3174 7.6452 7.6452 9.3638 9.3638 11.4104 11.4104 11.9611 11.9611 12.4754 12.4754 12.8051 12.8051 13.9506 13.9506 k = 0.0000 0.0000 0.1283 ( 3112 PWs) bands (ev): -3.9151 -3.9151 -3.2080 -3.2080 2.3321 2.3321 2.8595 2.8595 3.0925 3.0925 3.9311 3.9311 4.1945 4.1945 4.5232 4.5232 5.9280 5.9280 6.1551 6.1551 6.5311 6.5311 6.6821 6.6821 6.9951 6.9951 7.3160 7.3160 7.5684 7.5684 9.3072 9.3072 11.4378 11.4378 12.0341 12.0341 12.4828 12.4828 12.7719 12.7719 14.0380 14.0380 k = 0.0000 0.0000 0.1381 ( 3108 PWs) bands (ev): -3.8932 -3.8932 -3.2386 -3.2386 2.3623 2.3623 2.8469 2.8469 3.0908 3.0908 3.9309 3.9309 4.2030 4.2030 4.5473 4.5473 5.9288 5.9288 6.1474 6.1474 6.5294 6.5294 6.6844 6.6844 7.0136 7.0136 7.3136 7.3136 7.4965 7.4965 9.2525 9.2525 11.4645 11.4645 12.1007 12.1007 12.4923 12.4923 12.7392 12.7392 14.1190 14.1190 k = 0.0000 0.0000 0.1480 ( 3110 PWs) bands (ev): -3.8704 -3.8704 -3.2697 -3.2697 2.3923 2.3923 2.8335 2.8335 3.0891 3.0891 3.9308 3.9308 4.2104 4.2104 4.5728 4.5728 5.9284 5.9284 6.1394 6.1394 6.5276 6.5276 6.6867 6.6867 7.0320 7.0320 7.3088 7.3088 7.4320 7.4320 9.2006 9.2006 11.4903 11.4903 12.1588 12.1588 12.5040 12.5040 12.7080 12.7080 14.1844 14.1844 k = 0.0000 0.0000 0.1578 ( 3106 PWs) bands (ev): -3.8469 -3.8469 -3.3008 -3.3008 2.4217 2.4217 2.8195 2.8195 3.0876 3.0876 3.9306 3.9306 4.2167 4.2167 4.5992 4.5992 5.9267 5.9267 6.1314 6.1314 6.5258 6.5258 6.6891 6.6891 7.0496 7.0496 7.2974 7.2974 7.3802 7.3802 9.1523 9.1523 11.5149 11.5149 12.2071 12.2071 12.5167 12.5167 12.6800 12.6800 14.2223 14.2223 k = 0.0000 0.0000 0.1677 ( 3102 PWs) bands (ev): -3.8231 -3.8231 -3.3315 -3.3315 2.4500 2.4500 2.8050 2.8050 3.0861 3.0861 3.9305 3.9305 4.2219 4.2219 4.6254 4.6254 5.9236 5.9236 6.1236 6.1236 6.5241 6.5241 6.6917 6.6917 7.0661 7.0661 7.2715 7.2715 7.3499 7.3499 9.1083 9.1083 11.5379 11.5379 12.2456 12.2456 12.5274 12.5274 12.6579 12.6579 14.2374 14.2374 k = 0.0000 0.0000 0.1776 ( 3098 PWs) bands (ev): -3.7995 -3.7995 -3.3611 -3.3611 2.4768 2.4768 2.7904 2.7904 3.0849 3.0849 3.9304 3.9304 4.2262 4.2262 4.6505 4.6505 5.9193 5.9193 6.1165 6.1165 6.5225 6.5225 6.6941 6.6941 7.0806 7.0806 7.2353 7.2353 7.3380 7.3380 9.0695 9.0695 11.5589 11.5589 12.2750 12.2750 12.5315 12.5315 12.6456 12.6456 14.2443 14.2443 k = 0.0000 0.0000 0.1874 ( 3096 PWs) bands (ev): -3.7769 -3.7769 -3.3888 -3.3888 2.5014 2.5014 2.7761 2.7761 3.0838 3.0838 3.9303 3.9303 4.2295 4.2295 4.6733 4.6733 5.9143 5.9143 6.1103 6.1103 6.5210 6.5210 6.6965 6.6965 7.0921 7.0921 7.2011 7.2011 7.3332 7.3332 9.0366 9.0366 11.5772 11.5772 12.2971 12.2971 12.5261 12.5261 12.6448 12.6448 14.2498 14.2498 k = 0.0000 0.0000 0.1973 ( 3092 PWs) bands (ev): -3.7563 -3.7563 -3.4135 -3.4135 2.5230 2.5230 2.7627 2.7627 3.0829 3.0829 3.9303 3.9303 4.2320 4.2320 4.6926 4.6926 5.9092 5.9092 6.1054 6.1054 6.5198 6.5198 6.6985 6.6985 7.0993 7.0993 7.1750 7.1750 7.3310 7.3310 9.0102 9.0102 11.5924 11.5924 12.3134 12.3134 12.5146 12.5146 12.6511 12.6511 14.2553 14.2553 k = 0.0000 0.0000 0.2072 ( 3086 PWs) bands (ev): -3.7393 -3.7393 -3.4334 -3.4334 2.5404 2.5404 2.7513 2.7513 3.0822 3.0822 3.9302 3.9302 4.2338 4.2338 4.7074 4.7074 5.9048 5.9048 6.1019 6.1019 6.5188 6.5188 6.7002 6.7002 7.1011 7.1011 7.1593 7.1593 7.3298 7.3298 8.9909 8.9909 11.6037 11.6037 12.3249 12.3249 12.5025 12.5025 12.6588 12.6588 14.2602 14.2602 k = 0.0000 0.0000 0.2170 ( 3090 PWs) bands (ev): -3.7278 -3.7278 -3.4467 -3.4467 2.5518 2.5518 2.7434 2.7434 3.0818 3.0818 3.9302 3.9302 4.2348 4.2348 4.7166 4.7166 5.9017 5.9017 6.0998 6.0998 6.5182 6.5182 6.7012 6.7012 7.0991 7.0991 7.1528 7.1528 7.3291 7.3291 8.9792 8.9792 11.6107 11.6107 12.3320 12.3320 12.4938 12.4938 12.6645 12.6645 14.2637 14.2637 k = 0.0000 0.0000 0.2269 ( 3092 PWs) bands (ev): -3.7237 -3.7237 -3.4514 -3.4514 2.5559 2.5559 2.7406 2.7406 3.0817 3.0817 3.9302 3.9302 4.2350 4.2350 4.7197 4.7197 5.9006 5.9006 6.0991 6.0991 6.5180 6.5180 6.7015 6.7015 7.0978 7.0978 7.1514 7.1514 7.3289 7.3289 8.9752 8.9752 11.6131 11.6131 12.3344 12.3344 12.4906 12.4906 12.6665 12.6665 14.2650 14.2650 k = 0.0000 0.0000 0.2269 ( 3092 PWs) bands (ev): -3.7237 -3.7237 -3.4514 -3.4514 2.5559 2.5559 2.7406 2.7406 3.0817 3.0817 3.9302 3.9302 4.2350 4.2350 4.7197 4.7197 5.9006 5.9006 6.0991 6.0991 6.5180 6.5180 6.7015 6.7015 7.0978 7.0978 7.1514 7.1514 7.3289 7.3289 8.9752 8.9752 11.6131 11.6131 12.3344 12.3344 12.4906 12.4906 12.6665 12.6665 14.2650 14.2650 k = 0.0098-0.0000 0.2269 ( 3088 PWs) bands (ev): -3.7224 -3.7223 -3.4503 -3.4501 2.5561 2.5570 2.7395 2.7437 3.0814 3.0828 3.9269 3.9321 4.2237 4.2446 4.7076 4.7337 5.9009 5.9012 6.0994 6.0996 6.5176 6.5180 6.6975 6.7050 7.0857 7.1018 7.1366 7.1546 7.3406 7.3407 8.9760 8.9760 11.5990 11.6026 12.3258 12.3384 12.4629 12.4835 12.6675 12.6748 14.2642 14.2658 k = 0.0196-0.0000 0.2269 ( 3088 PWs) bands (ev): -3.7186 -3.7182 -3.4467 -3.4464 2.5577 2.5594 2.7406 2.7490 3.0819 3.0847 3.9222 3.9328 4.2108 4.2519 4.6977 4.7490 5.9022 5.9028 6.1005 6.1010 6.5168 6.5175 6.6930 6.7077 7.0642 7.0896 7.1240 7.1528 7.3702 7.3706 8.9785 8.9785 11.5610 11.5678 12.3034 12.3399 12.4042 12.4535 12.6760 12.6880 14.2636 14.2665 k = 0.0294-0.0000 0.2269 ( 3090 PWs) bands (ev): -3.7121 -3.7116 -3.4408 -3.4403 2.5606 2.5631 2.7436 2.7564 3.0831 3.0874 3.9160 3.9322 4.1968 4.2566 4.6903 4.7655 5.9044 5.9053 6.1024 6.1033 6.5156 6.5162 6.6881 6.7096 7.0341 7.0572 7.1254 7.1532 7.4097 7.4107 8.9825 8.9825 11.4998 11.5092 12.2490 12.3018 12.3579 12.4260 12.6878 12.7026 14.2633 14.2670 k = 0.0392-0.0000 0.2269 ( 3094 PWs) bands (ev): -3.7030 -3.7023 -3.4324 -3.4318 2.5647 2.5681 2.7486 2.7659 3.0851 3.0909 3.9083 3.9304 4.1819 4.2584 4.6856 4.7827 5.9075 5.9087 6.1052 6.1066 6.5141 6.5142 6.6829 6.7107 6.9990 7.0187 7.1314 7.1571 7.4547 7.4560 8.9881 8.9882 11.4169 11.4282 12.1543 12.1918 12.3613 12.4147 12.7013 12.7179 14.2631 14.2672 k = 0.0490-0.0000 0.2269 ( 3094 PWs) bands (ev): -3.6912 -3.6905 -3.4217 -3.4209 2.5702 2.5744 2.7556 2.7776 3.0879 3.0952 3.8991 3.9274 4.1666 4.2572 4.6839 4.8005 5.9112 5.9128 6.1087 6.1108 6.5111 6.5126 6.6775 6.7110 6.9619 6.9784 7.1397 7.1639 7.5029 7.5044 8.9953 8.9954 11.3140 11.3267 12.0286 12.0571 12.3712 12.4150 12.7166 12.7343 14.2632 14.2671 k = 0.0588-0.0000 0.2269 ( 3098 PWs) bands (ev): -3.6769 -3.6760 -3.4086 -3.4077 2.5769 2.5818 2.7643 2.7914 3.0914 3.1003 3.8884 3.9233 4.1509 4.2530 4.6852 4.8187 5.9156 5.9174 6.1130 6.1161 6.5071 6.5108 6.6720 6.7104 6.9242 6.9379 7.1498 7.1730 7.5534 7.5549 9.0041 9.0042 11.1934 11.2070 11.8810 11.9046 12.3845 12.4217 12.7342 12.7524 14.2633 14.2664 k = 0.0686-0.0000 0.2269 ( 3092 PWs) bands (ev): -3.6600 -3.6589 -3.3930 -3.3920 2.5848 2.5905 2.7748 2.8072 3.0957 3.1062 3.8762 3.9183 4.1351 4.2460 4.6893 4.8371 5.9204 5.9226 6.1181 6.1225 6.5019 6.5088 6.6664 6.7091 6.8873 6.8976 7.1619 7.1841 7.6056 7.6068 9.0144 9.0145 11.0572 11.0715 11.7174 11.7382 12.4006 12.4327 12.7544 12.7728 14.2633 14.2650 k = 0.0784-0.0000 0.2269 ( 3088 PWs) bands (ev): -3.6405 -3.6393 -3.3752 -3.3740 2.5939 2.6003 2.7869 2.8250 3.1006 3.1130 3.8625 3.9123 4.1194 4.2365 4.6960 4.8555 5.9256 5.9279 6.1239 6.1302 6.4954 6.5065 6.6604 6.7071 6.8517 6.8580 7.1759 7.1970 7.6591 7.6601 9.0261 9.0263 10.9078 10.9227 11.5419 11.5610 12.4195 12.4471 12.7775 12.7956 14.2630 14.2631 k = 0.0882-0.0000 0.2269 ( 3088 PWs) bands (ev): -3.6185 -3.6171 -3.3550 -3.3536 2.6042 2.6111 2.8005 2.8448 3.1063 3.1206 3.8474 3.9052 4.1037 4.2248 4.7049 4.8739 5.9310 5.9333 6.1304 6.1390 6.4874 6.5040 6.6535 6.7044 6.8185 6.8192 7.1917 7.2116 7.7137 7.7143 9.0393 9.0394 10.7476 10.7630 11.3579 11.3759 12.4409 12.4644 12.8036 12.8212 14.2600 14.2624 k = 0.0980-0.0000 0.2269 ( 3088 PWs) bands (ev): -3.5939 -3.5924 -3.3324 -3.3309 2.6155 2.6230 2.8154 2.8663 3.1126 3.1289 3.8310 3.8973 4.0883 4.2115 4.7157 4.8920 5.9365 5.9386 6.1376 6.1491 6.4780 6.5012 6.6449 6.7010 6.7816 6.7887 7.2094 7.2278 7.7692 7.7694 9.0537 9.0539 10.5787 10.5944 11.1678 11.1852 12.4648 12.4845 12.8327 12.8498 14.2557 14.2609 k = 0.1078-0.0000 0.2269 ( 3088 PWs) bands (ev): -3.5668 -3.5651 -3.3076 -3.3060 2.6278 2.6359 2.8313 2.8896 3.1195 3.1382 3.8133 3.8885 4.0731 4.1969 4.7278 4.9098 5.9420 5.9436 6.1452 6.1604 6.4670 6.4979 6.6337 6.6970 6.7452 6.7634 7.2290 7.2456 7.8252 7.8256 9.0694 9.0696 10.4031 10.4192 10.9740 10.9910 12.4909 12.5070 12.8650 12.8814 14.2501 14.2583 k = 0.1176-0.0000 0.2269 ( 3086 PWs) bands (ev): -3.5372 -3.5354 -3.2805 -3.2787 2.6411 2.6497 2.8482 2.9145 3.1271 3.1482 3.7946 3.8790 4.0582 4.1815 4.7411 4.9272 5.9473 5.9482 6.1533 6.1729 6.4545 6.4942 6.6189 6.6920 6.7107 6.7437 7.2504 7.2649 7.8817 7.8825 9.0861 9.0864 10.2226 10.2390 10.7782 10.7951 12.5193 12.5319 12.9005 12.9161 14.2426 14.2543 k = 0.1275-0.0000 0.2269 ( 3086 PWs) bands (ev): -3.5051 -3.5032 -3.2511 -3.2492 2.6553 2.6643 2.8657 2.9406 3.1353 3.1591 3.7750 3.8687 4.0436 4.1657 4.7551 4.9441 5.9522 5.9523 6.1615 6.1864 6.4404 6.4897 6.6003 6.6748 6.6896 6.7299 7.2736 7.2858 7.9387 7.9401 9.1035 9.1039 10.0388 10.0555 10.5823 10.5991 12.5497 12.5590 12.9391 12.9540 14.2331 14.2485 k = 0.1373-0.0000 0.2269 ( 3090 PWs) bands (ev): -3.4706 -3.4686 -3.2196 -3.2175 2.6703 2.6798 2.8836 2.9679 3.1441 3.1707 3.7546 3.8576 4.0293 4.1499 4.7695 4.9604 5.9555 5.9571 6.1696 6.2008 6.4247 6.4842 6.5787 6.6438 6.6836 6.7210 7.2986 7.3081 7.9960 7.9980 9.1212 9.1217 9.8534 9.8704 10.3880 10.4048 12.5821 12.5882 12.9809 12.9950 14.2211 14.2406 k = 0.1471-0.0000 0.2269 ( 3088 PWs) bands (ev): -3.4338 -3.4317 -3.1858 -3.1836 2.6861 2.6960 2.9017 2.9962 3.1535 3.1832 3.7338 3.8459 4.0153 4.1344 4.7841 4.9759 5.9581 5.9615 6.1775 6.2159 6.4073 6.4773 6.5555 6.6143 6.6783 6.7159 7.3255 7.3320 8.0535 8.0560 9.1384 9.1391 9.6678 9.6853 10.1971 10.2138 12.6164 12.6194 13.0259 13.0392 14.2063 14.2302 k = 0.1569-0.0000 0.2269 ( 3080 PWs) bands (ev): -3.3945 -3.3923 -3.1499 -3.1475 2.7027 2.7128 2.9195 3.0249 3.1635 3.1965 3.7127 3.8335 4.0016 4.1196 4.7984 4.9905 5.9600 5.9655 6.1848 6.2314 6.3882 6.4685 6.5319 6.5871 6.6729 6.7132 7.3542 7.3573 8.1107 8.1138 9.1538 9.1547 9.4836 9.5019 10.0121 10.0286 12.6525 12.6526 13.0739 13.0864 14.1882 14.2169 k = 0.1667-0.0000 0.2269 ( 3078 PWs) bands (ev): -3.3530 -3.3507 -3.1119 -3.1094 2.7199 2.7303 2.9369 3.0538 3.1741 3.2105 3.6914 3.8205 3.9882 4.1056 4.8123 5.0040 5.9611 5.9692 6.1912 6.2469 6.3675 6.4571 6.5087 6.5627 6.6676 6.7120 7.3839 7.3846 8.1670 8.1708 9.1643 9.1650 9.3029 9.3229 9.8367 9.8525 12.6875 12.6905 13.1250 13.1365 14.1666 14.2005 k = 0.1765-0.0000 0.2269 ( 3078 PWs) bands (ev): -3.3092 -3.3069 -3.0719 -3.0692 2.7376 2.7483 2.9535 3.0824 3.1853 3.2250 3.6704 3.8070 3.9751 4.0928 4.8255 5.0162 5.9613 5.9724 6.1962 6.2621 6.3450 6.4428 6.4862 6.5410 6.6626 6.7118 7.4118 7.4166 8.2212 8.2257 9.1250 9.1325 9.1663 9.1824 9.6784 9.6924 12.7241 12.7301 13.1789 13.1895 14.1412 14.1805 k = 0.1863-0.0000 0.2269 ( 3082 PWs) bands (ev): -3.2633 -3.2608 -3.0299 -3.0270 2.7559 2.7667 2.9691 3.1101 3.1971 3.2401 3.6498 3.7930 3.9625 4.0812 4.8376 5.0270 5.9607 5.9752 6.1994 6.2762 6.3213 6.4258 6.4649 6.5218 6.6579 6.7119 7.4405 7.4501 8.2708 8.2758 8.9602 8.9767 9.1398 9.1520 9.5518 9.5619 12.7623 12.7713 13.2355 13.2450 14.1115 14.1568 k = 0.1961-0.0000 0.2269 ( 3086 PWs) bands (ev): -3.2152 -3.2126 -2.9859 -2.9829 2.7745 2.7855 2.9835 3.1362 3.2095 3.2556 3.6300 3.7784 3.9503 4.0712 4.8484 5.0359 5.9591 5.9776 6.2005 6.2840 6.3008 6.4066 6.4451 6.5040 6.6537 6.7123 7.4696 7.4847 8.3096 8.3145 8.8115 8.8292 9.0715 9.0887 9.4761 9.4811 12.8020 12.8139 13.2947 13.3027 14.0777 14.1293 k = 0.2059-0.0000 0.2269 ( 3090 PWs) bands (ev): -3.1650 -3.1624 -2.9401 -2.9370 2.7934 2.8046 2.9964 3.1599 3.2227 3.2712 3.6114 3.7635 3.9386 4.0627 4.8575 5.0428 5.9567 5.9796 6.1987 6.2636 6.3048 6.3861 6.4273 6.4868 6.6499 6.7123 7.4983 7.5199 8.3223 8.3244 8.6989 8.7151 8.9625 8.9838 9.4503 9.4517 12.8429 12.8579 13.3558 13.3618 14.0400 14.0980 k = 0.2157-0.0000 0.2269 ( 3086 PWs) bands (ev): -3.1128 -3.1102 -2.8926 -2.8892 2.8125 2.8240 3.0079 3.1807 3.2365 3.2868 3.5946 3.7482 3.9274 4.0557 4.8646 5.0472 5.9532 5.9812 6.1935 6.2343 6.3125 6.3649 6.4125 6.4695 6.6466 6.7120 7.5251 7.5547 8.2785 8.2847 8.6513 8.6608 8.8344 8.8585 9.4536 9.4538 12.8847 12.9030 13.4183 13.4211 13.9992 14.0636 k = 0.2255-0.0000 0.2269 ( 3084 PWs) bands (ev): -3.0587 -3.0561 -2.8433 -2.8398 2.8317 2.8435 3.0176 3.1978 3.2505 3.3022 3.5798 3.7327 3.9170 4.0500 4.8693 5.0487 5.9484 5.9825 6.1839 6.2024 6.3160 6.3436 6.4021 6.4520 6.6432 6.7106 7.5474 7.5871 8.1845 8.2008 8.6620 8.6628 8.7048 8.7344 9.4706 9.4714 12.9272 12.9488 13.4782 13.4810 13.9575 14.0271 k = 0.2353-0.0000 0.2269 ( 3084 PWs) bands (ev): -3.0028 -3.0002 -2.7924 -2.7887 2.8507 2.8630 3.0256 3.2110 3.2641 3.3172 3.5677 3.7171 3.9071 4.0453 4.8710 5.0467 5.9422 5.9833 6.1684 6.1689 6.3136 6.3223 6.3972 6.4347 6.6392 6.7080 7.5606 7.6130 8.0788 8.1044 8.5766 8.5967 8.7070 8.7135 9.4953 9.4964 12.9697 12.9947 13.5281 13.5414 13.9201 13.9915 k = 0.2451-0.0000 0.2269 ( 3084 PWs) bands (ev): -2.9452 -2.9426 -2.7400 -2.7362 2.8695 2.8825 3.0320 3.2201 3.2769 3.3318 3.5583 3.7013 3.8978 4.0412 4.8694 5.0409 5.9337 5.9837 6.1327 6.1476 6.3015 6.3058 6.3973 6.4181 6.6340 6.7034 7.5575 7.6237 7.9878 8.0215 8.4611 8.4852 8.7603 8.7622 9.5244 9.5257 13.0111 13.0395 13.5612 13.5948 13.8971 13.9621 k = 0.2549-0.0000 0.2269 ( 3092 PWs) bands (ev): -2.8860 -2.8834 -2.6862 -2.6822 2.8878 2.9018 3.0368 3.2245 3.2888 3.3457 3.5517 3.6854 3.8890 4.0371 4.8640 5.0306 5.9219 5.9835 6.0963 6.1194 6.2813 6.2946 6.4001 6.4029 6.6266 6.6963 7.5310 7.6057 7.9311 7.9659 8.3589 8.3858 8.8192 8.8193 9.5564 9.5578 13.0501 13.0810 13.5653 13.6322 13.9021 13.9495 k = 0.2647-0.0000 0.2269 ( 3094 PWs) bands (ev): -2.8254 -2.8227 -2.6312 -2.6270 2.9051 2.9210 3.0403 3.2240 3.3003 3.3589 3.5474 3.6697 3.8806 4.0322 4.8542 5.0152 5.9050 5.9825 6.0614 6.0846 6.2621 6.2819 6.3895 6.4038 6.6163 6.6860 7.4817 7.5558 7.9132 7.9384 8.2742 8.3047 8.8799 8.8811 9.5903 9.5918 13.0838 13.1146 13.5409 13.6444 13.9376 13.9655 k = 0.2745-0.0000 0.2269 ( 3098 PWs) bands (ev): -2.7634 -2.7608 -2.5750 -2.5706 2.9211 2.9398 3.0429 3.2186 3.3119 3.3715 3.5446 3.6542 3.8720 4.0258 4.8396 4.9941 5.8808 5.9792 6.0309 6.0453 6.2439 6.2689 6.3778 6.4073 6.6022 6.6719 7.4198 7.4897 7.9158 7.9266 8.2128 8.2474 8.9425 8.9445 9.6257 9.6272 13.1081 13.1311 13.5060 13.6346 13.9890 14.0111 k = 0.2843-0.0000 0.2269 ( 3100 PWs) bands (ev): -2.7002 -2.6977 -2.5179 -2.5133 2.9349 2.9582 3.0453 3.2089 3.3237 3.3833 3.5423 3.6390 3.8628 4.0167 4.8195 4.9668 5.8477 5.9665 6.0071 6.0102 6.2268 6.2560 6.3675 6.4101 6.5840 6.6536 7.3566 7.4229 7.9163 7.9173 8.1823 8.2194 9.0063 9.0089 9.6621 9.6636 13.1164 13.1166 13.4825 13.6184 13.8591 13.9857 k = 0.2941-0.0000 0.2269 ( 3100 PWs) bands (ev): -2.6360 -2.6337 -2.4599 -2.4551 2.9456 2.9759 3.0485 3.1957 3.3358 3.3945 3.5396 3.6242 3.8524 4.0042 4.7938 4.9329 5.8073 5.9303 5.9899 5.9957 6.2107 6.2436 6.3582 6.4118 6.5617 6.6308 7.2988 7.3631 7.9010 7.9073 8.1859 8.2210 9.0706 9.0737 9.6992 9.7007 13.0613 13.1027 13.4798 13.6000 13.6637 13.8430 k = 0.3039-0.0000 0.2269 ( 3096 PWs) bands (ev): -2.5710 -2.5688 -2.4013 -2.3964 2.9522 2.9930 3.0534 3.1799 3.3480 3.4050 3.5358 3.6099 3.8400 3.9872 4.7619 4.8921 5.7627 5.8826 5.9777 5.9916 6.1954 6.2318 6.3493 6.4124 6.5362 6.6044 7.2497 7.3130 7.8834 7.8902 8.2157 8.2457 9.1352 9.1387 9.7367 9.7382 12.9721 13.0633 13.4378 13.4747 13.6332 13.7095 k = 0.3137-0.0000 0.2269 ( 3092 PWs) bands (ev): -2.5054 -2.5034 -2.3424 -2.3372 2.9539 3.0088 3.0608 3.1626 3.3601 3.4147 3.5303 3.5961 3.8249 3.9649 4.7239 4.8445 5.7173 5.8340 5.9687 5.9899 6.1810 6.2205 6.3404 6.4118 6.5091 6.5754 7.2100 7.2729 7.8691 7.8743 8.2612 8.2855 9.1996 9.2036 9.7744 9.7759 12.8595 13.0010 13.2386 13.4018 13.6614 13.6633 k = 0.3235-0.0000 0.2269 ( 3086 PWs) bands (ev): -2.4394 -2.4376 -2.2832 -2.2778 2.9509 3.0230 3.0704 3.1447 3.3722 3.4237 3.5226 3.5829 3.8066 3.9370 4.6798 4.7904 5.6738 5.7880 5.9618 5.9889 6.1675 6.2099 6.3307 6.4099 6.4821 6.5454 7.1790 7.2414 7.8620 7.8650 8.3156 8.3348 9.2637 9.2681 9.8121 9.8136 12.7314 12.9211 13.0420 13.2683 13.6934 13.7050 k = 0.3333-0.0000 0.2269 ( 3084 PWs) bands (ev): -2.3734 -2.3718 -2.2241 -2.2185 2.9439 3.0341 3.0816 3.1280 3.3839 3.4317 3.5124 3.5703 3.7849 3.9031 4.6301 4.7307 5.6342 5.7466 5.9563 5.9882 6.1546 6.1998 6.3198 6.4065 6.4574 6.5161 7.1552 7.2170 7.8637 7.8646 8.3752 8.3902 9.3273 9.3320 9.8495 9.8509 12.5927 12.8259 12.8526 13.1224 13.7486 13.7590 k = 0.3431-0.0000 0.2269 ( 3084 PWs) bands (ev): -2.3075 -2.3062 -2.1653 -2.1595 2.9338 3.0391 3.0936 3.1157 3.3950 3.4385 3.4992 3.5582 3.7602 3.8638 4.5754 4.6663 5.5998 5.7110 5.9519 5.9876 6.1425 6.1903 6.3075 6.4014 6.4362 6.4892 7.1372 7.1982 7.8737 7.8748 8.4381 8.4494 9.3899 9.3951 9.8864 9.8877 12.4471 12.6587 12.7314 12.9769 13.8136 13.8204 k = 0.3529-0.0000 0.2269 ( 3092 PWs) bands (ev): -2.2421 -2.2411 -2.1072 -2.1011 2.9213 3.0344 3.1055 3.1117 3.4050 3.4437 3.4826 3.5468 3.7334 3.8200 4.5167 4.5985 5.5714 5.6816 5.9483 5.9872 6.1310 6.1810 6.2940 6.3941 6.4193 6.4660 7.1237 7.1833 7.8922 7.8954 8.5029 8.5110 9.4515 9.4571 9.9226 9.9237 12.2977 12.4764 12.6246 12.8343 13.8843 13.8872 k = 0.3627-0.0000 0.2269 ( 3094 PWs) bands (ev): -2.1775 -2.1769 -2.0500 -2.0437 2.9070 3.0201 3.1160 3.1168 3.4117 3.4463 3.4637 3.5362 3.7059 3.7735 4.4551 4.5286 5.5494 5.6586 5.9455 5.9868 6.1202 6.1722 6.2800 6.3841 6.4064 6.4476 7.1137 7.1715 7.9200 7.9249 8.5686 8.5738 9.5118 9.5179 9.9577 9.9585 12.1472 12.2994 12.5144 12.6950 13.9584 13.9590 k = 0.3725-0.0000 0.2269 ( 3090 PWs) bands (ev): -2.1142 -2.1139 -1.9942 -1.9876 2.8914 3.0005 3.1246 3.1272 3.4069 3.4446 3.4499 3.5268 3.6798 3.7268 4.3918 4.4580 5.5335 5.6414 5.9434 5.9865 6.1102 6.1637 6.2665 6.3718 6.3968 6.4340 7.1063 7.1618 7.9563 7.9629 8.6341 8.6367 9.5704 9.5771 9.9915 9.9920 11.9980 12.1289 12.4018 12.5589 14.0329 14.0367 k = 0.3824-0.0000 0.2269 ( 3088 PWs) bands (ev): -2.0526 -2.0525 -1.9400 -1.9333 2.8748 2.9784 3.1347 3.1360 3.3806 3.4357 3.4505 3.5196 3.6565 3.6834 4.3280 4.3880 5.5233 5.6294 5.9419 5.9862 6.1008 6.1554 6.2543 6.3583 6.3898 6.4239 7.1009 7.1536 8.0004 8.0086 8.6984 8.6987 9.6272 9.6347 10.0237 10.0238 11.8521 11.9659 12.2878 12.4257 14.1102 14.1168 k = 0.3922-0.0000 0.2269 ( 3088 PWs) bands (ev): -1.9934 -1.9929 -1.8879 -1.8810 2.8577 2.9553 3.1427 3.1448 3.3420 3.4167 3.4571 3.5155 3.6371 3.6470 4.2650 4.3196 5.5182 5.6216 5.9409 5.9858 6.0922 6.1472 6.2439 6.3447 6.3845 6.4162 7.0970 7.1466 8.0518 8.0614 8.7586 8.7604 9.6819 9.6902 10.0533 10.0541 11.7116 11.8113 12.1735 12.2956 14.1897 14.1987 k = 0.4020-0.0000 0.2269 ( 3088 PWs) bands (ev): -1.9368 -1.9358 -1.8382 -1.8312 2.8405 2.9320 3.1464 3.1541 3.2977 3.3875 3.4646 3.5145 3.6200 3.6217 4.2039 4.2538 5.5175 5.6171 5.9405 5.9853 6.0845 6.1392 6.2355 6.3318 6.3806 6.4098 7.0943 7.1404 8.1097 8.1205 8.8151 8.8189 9.7343 9.7436 10.0804 10.0822 11.5784 11.6665 12.0598 12.1686 14.2708 14.2821 k = 0.4118-0.0000 0.2269 ( 3084 PWs) bands (ev): -1.8832 -1.8818 -1.7915 -1.7844 2.8236 2.9090 3.1457 3.1607 3.2521 3.3521 3.4720 3.5153 3.6021 3.6102 4.1457 4.1916 5.5204 5.6151 5.9406 5.9846 6.0778 6.1313 6.2292 6.3199 6.3776 6.4042 7.0927 7.1349 8.1733 8.1852 8.8665 8.8722 9.7840 9.7946 10.1046 10.1076 11.4546 11.5329 11.9475 12.0451 14.3531 14.3662 k = 0.4216-0.0000 0.2269 ( 3084 PWs) bands (ev): -1.8332 -1.8314 -1.7482 -1.7411 2.8076 2.8868 3.1386 3.1577 3.2144 3.3167 3.4787 3.5169 3.5914 3.6019 4.0912 4.1335 5.5260 5.6146 5.9412 5.9836 6.0721 6.1236 6.2249 6.3090 6.3754 6.3993 7.0918 7.1299 8.2417 8.2547 8.9112 8.9188 9.8309 9.8429 10.1254 10.1300 11.3423 11.4125 11.8377 11.9256 14.4357 14.4503 k = 0.4314-0.0000 0.2269 ( 3084 PWs) bands (ev): -1.7873 -1.7851 -1.7086 -1.7017 2.7929 2.8657 3.1227 3.1296 3.2021 3.2875 3.4846 3.5185 3.5860 3.5965 4.0413 4.0801 5.5337 5.6148 5.9424 5.9822 6.0676 6.1160 6.2225 6.2990 6.3737 6.3947 7.0916 7.1253 8.3141 8.3281 8.9474 8.9568 9.8748 9.8885 10.1423 10.1489 11.2438 11.3072 11.7313 11.8107 14.5178 14.5335 k = 0.4412-0.0000 0.2269 ( 3088 PWs) bands (ev): -1.7460 -1.7436 -1.6732 -1.6666 2.7801 2.8460 3.0887 3.0978 3.2048 3.2674 3.4899 3.5197 3.5843 3.5936 3.9966 4.0319 5.5428 5.6152 5.9439 5.9804 6.0643 6.1086 6.2219 6.2897 6.3725 6.3905 7.0918 7.1211 8.3894 8.4043 8.9730 8.9841 9.9155 9.9309 10.1547 10.1637 11.1613 11.2189 11.6295 11.7013 14.5982 14.6145 k = 0.4510-0.0000 0.2269 ( 3088 PWs) bands (ev): -1.7099 -1.7073 -1.6424 -1.6363 2.7697 2.8281 3.0487 3.0672 3.2103 3.2554 3.4944 3.5202 3.5851 3.5926 3.9579 3.9892 5.5527 5.6151 5.9460 5.9780 6.0625 6.1015 6.2227 6.2810 6.3718 6.3867 7.0926 7.1172 8.4665 8.4822 8.9863 8.9990 9.9527 9.9697 10.1625 10.1740 11.0968 11.1494 11.5339 11.5986 14.6751 14.6914 k = 0.4608-0.0000 0.2269 ( 3088 PWs) bands (ev): -1.6794 -1.6769 -1.6165 -1.6111 2.7622 2.8120 3.0138 3.0355 3.2162 3.2484 3.4986 3.5200 3.5875 3.5930 3.9257 3.9524 5.5629 5.6143 5.9484 5.9752 6.0621 6.0947 6.2250 6.2727 6.3715 6.3833 7.0938 7.1136 8.5440 8.5603 8.9861 9.0002 9.9862 10.0045 10.1658 10.1796 11.0516 11.0993 11.4465 11.5040 14.7465 14.7620 k = 0.4706-0.0000 0.2269 ( 3092 PWs) bands (ev): -1.6549 -1.6528 -1.5959 -1.5915 2.7580 2.7976 2.9861 3.0065 3.2216 3.2440 3.5023 3.5190 3.5907 3.5943 3.9007 3.9220 5.5728 5.6123 5.9512 5.9720 6.0629 6.0882 6.2284 6.2649 6.3715 6.3803 7.0953 7.1103 8.6201 8.6366 8.9721 8.9872 10.0156 10.0340 10.1653 10.1804 11.0257 11.0677 11.3703 11.4197 14.8094 14.8228 k = 0.4804-0.0000 0.2269 ( 3100 PWs) bands (ev): -1.6370 -1.6354 -1.5807 -1.5775 2.7572 2.7850 2.9670 2.9827 3.2264 3.2406 3.5058 3.5173 3.5937 3.5958 3.8835 3.8984 5.5822 5.6090 5.9543 5.9685 6.0649 6.0822 6.2328 6.2575 6.3719 6.3777 7.0972 7.1071 8.6922 8.7085 8.9456 8.9610 10.0404 10.0567 10.1631 10.1771 11.0172 11.0509 11.3101 11.3488 14.8599 14.8701 k = 0.4902-0.0000 0.2269 ( 3100 PWs) bands (ev): -1.6259 -1.6250 -1.5711 -1.5695 2.7599 2.7743 2.9572 2.9658 3.2307 3.2376 3.5092 3.5151 3.5960 3.5969 3.8746 3.8823 5.5908 5.6043 5.9576 5.9648 6.0680 6.0768 6.2380 6.2505 6.3727 6.3756 7.0993 7.1043 8.7557 8.7693 8.9122 8.9254 10.0594 10.0695 10.1621 10.1712 11.0218 11.0417 11.2736 11.2960 14.8940 14.8995 k = 0.5000-0.0000 0.2269 ( 3104 PWs) bands (ev): -1.6218 -1.6218 -1.5674 -1.5674 2.7657 2.7657 2.9570 2.9570 3.2343 3.2343 3.5123 3.5123 3.5971 3.5971 3.8742 3.8742 5.5982 5.5982 5.9612 5.9612 6.0720 6.0720 6.2440 6.2440 6.3739 6.3739 7.1017 7.1017 8.7936 8.7936 8.8970 8.8970 10.0701 10.0701 10.1651 10.1651 11.0323 11.0323 11.2687 11.2687 14.9078 14.9078 k = 0.5000-0.0000 0.2269 ( 3104 PWs) bands (ev): -1.6218 -1.6218 -1.5674 -1.5674 2.7657 2.7657 2.9570 2.9570 3.2343 3.2343 3.5123 3.5123 3.5971 3.5971 3.8742 3.8742 5.5982 5.5982 5.9612 5.9612 6.0720 6.0720 6.2440 6.2440 6.3739 6.3739 7.1017 7.1017 8.7936 8.7936 8.8970 8.8970 10.0701 10.0701 10.1651 10.1651 11.0323 11.0323 11.2687 11.2687 14.9078 14.9078 k = 0.5000 0.0099 0.2269 ( 3100 PWs) bands (ev): -1.6213 -1.6212 -1.5668 -1.5667 2.7634 2.7684 2.9490 2.9595 3.2329 3.2396 3.4963 3.5295 3.5951 3.6006 3.8682 3.8840 5.5965 5.5991 5.9536 5.9671 6.0694 6.0717 6.2405 6.2490 6.3742 6.3744 7.1007 7.1021 8.7835 8.7998 8.8859 8.9040 10.0517 10.0773 10.1511 10.1676 11.0268 11.0424 11.2648 11.2767 14.9112 14.9129 k = 0.5000 0.0198 0.2269 ( 3100 PWs) bands (ev): -1.6196 -1.6194 -1.5650 -1.5649 2.7616 2.7715 2.9363 2.9563 3.2355 3.2482 3.4819 3.5469 3.5951 3.6057 3.8660 3.8971 5.5942 5.5994 5.9445 5.9712 6.0641 6.0688 6.2385 6.2552 6.3752 6.3755 7.0992 7.1019 8.7695 8.8020 8.8707 8.9069 10.0227 10.0730 10.1260 10.1587 11.0262 11.0567 11.2655 11.2888 14.9225 14.9251 k = 0.5000 0.0296 0.2269 ( 3100 PWs) bands (ev): -1.6167 -1.6164 -1.5621 -1.5620 2.7602 2.7751 2.9198 2.9476 3.2418 3.2594 3.4695 3.5631 3.5981 3.6122 3.8680 3.9133 5.5912 5.5990 5.9342 5.9733 6.0564 6.0635 6.2380 6.2623 6.3769 6.3772 7.0972 7.1012 8.7516 8.8002 8.8515 8.9056 9.9838 10.0573 10.0903 10.1385 11.0310 11.0749 11.2708 11.3046 14.9393 14.9413 k = 0.5000 0.0395 0.2269 ( 3100 PWs) bands (ev): -1.6126 -1.6122 -1.5580 -1.5579 2.7593 2.7790 2.9002 2.9340 3.2511 3.2727 3.4594 3.5753 3.6064 3.6200 3.8744 3.9325 5.5875 5.5978 5.9229 5.9733 6.0466 6.0561 6.2388 6.2698 6.3793 6.3794 7.0946 7.1000 8.7298 8.7944 8.8281 8.9002 9.9362 10.0306 10.0450 10.1076 11.0412 11.0969 11.2808 11.3241 14.9562 14.9575 k = 0.5000 0.0494 0.2269 ( 3088 PWs) bands (ev): -1.6074 -1.6069 -1.5528 -1.5526 2.7586 2.7833 2.8785 2.9166 3.2626 3.2876 3.4516 3.5827 3.6202 3.6294 3.8854 3.9543 5.5832 5.5959 5.9108 5.9711 6.0354 6.0471 6.2408 6.2776 6.3819 6.3822 7.0916 7.0982 8.7041 8.7845 8.8006 8.8904 9.8809 9.9911 9.9940 10.0669 11.0569 11.1224 11.2957 11.3472 14.9629 14.9710 k = 0.5000 0.0593 0.2269 ( 3088 PWs) bands (ev): -1.6011 -1.6005 -1.5464 -1.5463 2.7581 2.7878 2.8553 2.8961 3.2755 3.3037 3.4462 3.5878 3.6366 3.6402 3.9009 3.9786 5.5780 5.5932 5.8981 5.9667 6.0233 6.0367 6.2436 6.2851 6.3845 6.3854 7.0878 7.0957 8.6746 8.7690 8.7704 8.8762 9.8191 9.9294 9.9483 10.0175 11.0779 11.1515 11.3154 11.3738 14.9543 14.9730 k = 0.5000 0.0691 0.2269 ( 3088 PWs) bands (ev): -1.5937 -1.5930 -1.5390 -1.5388 2.7574 2.7922 2.8314 2.8736 3.2892 3.3208 3.4434 3.5927 3.6524 3.6535 3.9209 4.0050 5.5721 5.5897 5.8851 5.9601 6.0108 6.0252 6.2471 6.2922 6.3873 6.3888 7.0835 7.0926 8.6412 8.7333 8.7521 8.8576 9.7519 9.8613 9.8950 9.9607 11.1041 11.1841 11.3397 11.4041 14.9260 14.9577 k = 0.5000 0.0790 0.2269 ( 3080 PWs) bands (ev): -1.5852 -1.5844 -1.5306 -1.5303 2.7554 2.7961 2.8084 2.8502 3.3030 3.3389 3.4432 3.5980 3.6661 3.6702 3.9448 4.0335 5.5655 5.5853 5.8720 5.9513 5.9986 6.0131 6.2511 6.2987 6.3902 6.3924 7.0785 7.0888 8.6041 8.6935 8.7295 8.8343 9.6805 9.7879 9.8353 9.8975 11.1353 11.2204 11.3686 11.4380 14.8782 14.9233 k = 0.5000 0.0889 0.2269 ( 3088 PWs) bands (ev): -1.5757 -1.5748 -1.5211 -1.5209 2.7487 2.7897 2.7962 2.8293 3.3166 3.3576 3.4455 3.6038 3.6812 3.6866 3.9723 4.0636 5.5579 5.5799 5.8590 5.9406 5.9867 6.0004 6.2554 6.3043 6.3930 6.3959 7.0728 7.0842 8.5635 8.6497 8.7025 8.8064 9.6060 9.7103 9.7704 9.8292 11.1711 11.2603 11.4019 11.4755 14.8146 14.8719 k = 0.5000 0.0988 0.2269 ( 3084 PWs) bands (ev): -1.5653 -1.5642 -1.5107 -1.5104 2.7325 2.7806 2.7829 2.8211 3.3297 3.3770 3.4506 3.6105 3.6977 3.7029 4.0028 4.0951 5.5496 5.5736 5.8464 5.9283 5.9756 5.9876 6.2600 6.3090 6.3958 6.3992 7.0665 7.0788 8.5194 8.6021 8.6711 8.7736 9.5294 9.6297 9.7015 9.7570 11.2114 11.3039 11.4394 11.5168 14.7404 14.8082 k = 0.5000 0.1086 0.2269 ( 3084 PWs) bands (ev): -1.5539 -1.5527 -1.4994 -1.4991 2.7091 2.7585 2.7788 2.8235 3.3421 3.3971 3.4582 3.6179 3.7157 3.7191 4.0355 4.1278 5.5403 5.5661 5.8343 5.9149 5.9651 5.9748 6.2647 6.3126 6.3985 6.4023 7.0594 7.0725 8.4722 8.5508 8.6354 8.7361 9.4516 9.5471 9.6295 9.6818 11.2560 11.3512 11.4810 11.5617 14.6601 14.7367 k = 0.5000 0.1185 0.2269 ( 3080 PWs) bands (ev): -1.5416 -1.5404 -1.4873 -1.4870 2.6828 2.7310 2.7801 2.8288 3.3539 3.4177 3.4683 3.6260 3.7350 3.7357 4.0701 4.1614 5.5300 5.5575 5.8229 5.9009 5.9552 5.9623 6.2696 6.3152 6.4011 6.4051 7.0515 7.0652 8.4221 8.4961 8.5955 8.6938 9.3735 9.4633 9.5551 9.6044 11.3046 11.4021 11.5267 11.6104 14.5773 14.6614 k = 0.5000 0.1284 0.2269 ( 3088 PWs) bands (ev): -1.5285 -1.5272 -1.4744 -1.4741 2.6556 2.7025 2.7828 2.8350 3.3651 3.4388 3.4806 3.6348 3.7527 3.7556 4.1059 4.1956 5.5186 5.5476 5.8125 5.8869 5.9458 5.9500 6.2746 6.3166 6.4035 6.4075 7.0426 7.0568 8.3696 8.4384 8.5517 8.6468 9.2955 9.3793 9.4791 9.5256 11.3570 11.4567 11.5761 11.6628 14.4945 14.5796 k = 0.5000 0.1383 0.2269 ( 3092 PWs) bands (ev): -1.5146 -1.5133 -1.4609 -1.4605 2.6279 2.6736 2.7864 2.8415 3.3759 3.4603 3.4948 3.6443 3.7703 3.7775 4.1425 4.2301 5.5061 5.5364 5.8033 5.8731 5.9371 5.9385 6.2797 6.3170 6.4058 6.4096 7.0329 7.0473 8.3151 8.3781 8.5042 8.5955 9.2182 9.2957 9.4019 9.4459 11.4132 11.5148 11.6293 11.7187 14.4135 14.4864 k = 0.5000 0.1481 0.2269 ( 3084 PWs) bands (ev): -1.5001 -1.4987 -1.4467 -1.4463 2.6003 2.6445 2.7907 2.8484 3.3867 3.4822 3.5105 3.6545 3.7886 3.8006 4.1795 4.2646 5.4925 5.5238 5.7956 5.8600 5.9278 5.9292 6.2852 6.3164 6.4079 6.4113 7.0223 7.0365 8.2591 8.3157 8.4536 8.5400 9.1419 9.2130 9.3240 9.3658 11.4730 11.5765 11.6861 11.7783 14.3356 14.3994 k = 0.5000 0.1580 0.2269 ( 3080 PWs) bands (ev): -1.4849 -1.4835 -1.4319 -1.4316 2.5728 2.6156 2.7954 2.8553 3.3976 3.5043 3.5276 3.6652 3.8077 3.8247 4.2165 4.2988 5.4776 5.5098 5.7895 5.8477 5.9181 5.9221 6.2908 6.3148 6.4099 6.4126 7.0108 7.0243 8.2021 8.2518 8.4003 8.4811 9.0667 9.1315 9.2456 9.2857 11.5363 11.6415 11.7464 11.8413 14.2616 14.3187 k = 0.5000 0.1679 0.2269 ( 3076 PWs) bands (ev): -1.4692 -1.4678 -1.4167 -1.4164 2.5455 2.5869 2.8007 2.8623 3.4088 3.5266 3.5455 3.6764 3.8275 3.8498 4.2531 4.3324 5.4613 5.4942 5.7853 5.8365 5.9096 5.9159 6.2969 6.3124 6.4116 6.4136 6.9982 7.0107 8.1445 8.1869 8.3450 8.4192 8.9926 9.0515 9.1669 9.2056 11.6028 11.7100 11.8101 11.9077 14.1920 14.2445 k = 0.5000 0.1778 0.2269 ( 3076 PWs) bands (ev): -1.4531 -1.4517 -1.4012 -1.4009 2.5186 2.5584 2.8063 2.8693 3.4205 3.5488 3.5643 3.6881 3.8481 3.8758 4.2889 4.3650 5.4435 5.4771 5.7831 5.8265 5.9023 5.9109 6.3035 6.3092 6.4132 6.4144 6.9847 6.9954 8.0870 8.1219 8.2884 8.3551 8.9196 8.9728 9.0882 9.1259 11.6726 11.7816 11.8769 11.9773 14.1274 14.1767 k = 0.5000 0.1877 0.2269 ( 3084 PWs) bands (ev): -1.4367 -1.4352 -1.3854 -1.3851 2.4921 2.5304 2.8123 2.8762 3.4327 3.5710 3.5836 3.7001 3.8694 3.9024 4.3237 4.3966 5.4242 5.4585 5.7831 5.8178 5.8965 5.9070 6.3055 6.3106 6.4144 6.4151 6.9702 6.9785 8.0297 8.0573 8.2309 8.2896 8.8476 8.8957 9.0096 9.0467 11.7453 11.8563 11.9469 12.0500 14.0679 14.1154 k = 0.5000 0.1975 0.2269 ( 3088 PWs) bands (ev): -1.4200 -1.4185 -1.3694 -1.3691 2.4663 2.5029 2.8186 2.8831 3.4454 3.5930 3.6032 3.7123 3.8914 3.9296 4.3571 4.4266 5.4034 5.4383 5.7854 5.8105 5.8922 5.9046 6.3013 6.3183 6.4155 6.4158 6.9549 6.9600 7.9726 7.9946 8.1732 8.2236 8.7764 8.8199 8.9313 8.9680 11.8210 11.9341 12.0197 12.1257 14.0136 14.0606 k = 0.5000 0.2074 0.2269 ( 3096 PWs) bands (ev): -1.4031 -1.4017 -1.3534 -1.3531 2.4410 2.4760 2.8253 2.8898 3.4588 3.6146 3.6232 3.7247 3.9140 3.9573 4.3889 4.4550 5.3810 5.4167 5.7900 5.8046 5.8896 5.9036 6.2968 6.3266 6.4162 6.4168 6.9390 6.9398 7.9151 7.9351 8.1155 8.1582 8.7060 8.7455 8.8535 8.8900 11.8994 12.0147 12.0953 12.2041 13.9647 14.0120 k = 0.5000 0.2173 0.2269 ( 3092 PWs) bands (ev): -1.3862 -1.3848 -1.3374 -1.3371 2.4165 2.4499 2.8321 2.8963 3.4729 3.6358 3.6434 3.7372 3.9373 3.9852 4.4188 4.4816 5.3571 5.3936 5.7970 5.8003 5.8888 5.9042 6.2924 6.3355 6.4168 6.4185 6.9182 6.9226 7.8568 7.8801 8.0578 8.0945 8.6365 8.6725 8.7763 8.8129 11.9805 12.0980 12.1735 12.2851 13.9210 13.9696 k = 0.5000 0.2272 0.2269 ( 3092 PWs) bands (ev): -1.3694 -1.3680 -1.3216 -1.3213 2.3929 2.4245 2.8392 2.9026 3.4877 3.6563 3.6635 3.7497 3.9610 4.0132 4.4466 4.5061 5.3318 5.3692 5.7973 5.8059 5.8898 5.9064 6.2883 6.3443 6.4171 6.4217 6.8953 6.9061 7.7989 7.8291 7.9997 8.0337 8.5678 8.6009 8.7001 8.7368 12.0639 12.1839 12.2540 12.3684 13.8824 13.9333 k = 0.5000 0.2370 0.2269 ( 3092 PWs) bands (ev): -1.3528 -1.3514 -1.3060 -1.3058 2.3701 2.4000 2.8465 2.9086 3.5030 3.6760 3.6835 3.7621 3.9852 4.0411 4.4722 4.5285 5.3051 5.3437 5.7957 5.8167 5.8926 5.9102 6.2847 6.3524 6.4170 6.4270 6.8713 6.8899 7.7427 7.7812 7.9409 7.9768 8.5003 8.5309 8.6251 8.6620 12.1496 12.2722 12.3365 12.4538 13.8489 13.9027 k = 0.5000 0.2469 0.2269 ( 3088 PWs) bands (ev): -1.3365 -1.3352 -1.2908 -1.2906 2.3484 2.3764 2.8539 2.9143 3.5189 3.6947 3.7034 3.7744 4.0097 4.0687 4.4953 4.5488 5.2773 5.3171 5.7954 5.8289 5.8971 5.9157 6.2822 6.3589 6.4166 6.4356 6.8469 6.8745 7.6891 7.7359 7.8821 7.9235 8.4342 8.4627 8.5516 8.5887 12.2374 12.3626 12.4209 12.5408 13.8200 13.8777 k = 0.5000 0.2568 0.2269 ( 3092 PWs) bands (ev): -1.3206 -1.3193 -1.2761 -1.2759 2.3276 2.3539 2.8613 2.9196 3.5353 3.7120 3.7228 3.7864 4.0344 4.0958 4.5160 4.5668 5.2486 5.2897 5.7963 5.8420 5.9030 5.9228 6.2810 6.3631 6.4155 6.4478 6.8227 6.8605 7.6384 7.6927 7.8241 7.8730 8.3699 8.3968 8.4799 8.5174 12.3269 12.4551 12.5068 12.6292 13.7956 13.8581 k = 0.5000 0.2667 0.2269 ( 3088 PWs) bands (ev): -1.3053 -1.3041 -1.2619 -1.2617 2.3081 2.3325 2.8688 2.9246 3.5522 3.7279 3.7417 3.7982 4.0593 4.1223 4.5343 4.5828 5.2194 5.2617 5.7982 5.8558 5.9099 5.9314 6.2816 6.3650 6.4138 6.4633 6.7999 6.8488 7.5912 7.6512 7.7677 7.8244 8.3078 8.3335 8.4105 8.4483 12.4181 12.5492 12.5938 12.7184 13.7750 13.8437 k = 0.5000 0.2765 0.2269 ( 3092 PWs) bands (ev): -1.2906 -1.2895 -1.2484 -1.2482 2.2898 2.3122 2.8762 2.9291 3.5694 3.7419 3.7600 3.8096 4.0841 4.1477 4.5502 4.5966 5.1898 5.2333 5.8011 5.8698 5.9172 5.9413 6.2846 6.3651 6.4112 6.4807 6.7797 6.8400 7.5475 7.6108 7.7133 7.7770 8.2487 8.2733 8.3439 8.3820 12.5104 12.6448 12.6814 12.8079 13.7580 13.8343 k = 0.5000 0.2864 0.2269 ( 3088 PWs) bands (ev): -1.2767 -1.2757 -1.2357 -1.2356 2.2728 2.2933 2.8836 2.9331 3.5869 3.7539 3.7776 3.8208 4.1088 4.1720 4.5638 4.6083 5.1605 5.2049 5.8049 5.8837 5.9244 5.9523 6.2902 6.3637 6.4076 6.4981 6.7643 6.8351 7.5077 7.5712 7.6610 7.7300 8.1933 8.2167 8.2807 8.3190 12.6037 12.7414 12.7691 12.8968 13.7437 13.8298 k = 0.5000 0.2963 0.2269 ( 3092 PWs) bands (ev): -1.2638 -1.2628 -1.2239 -1.2238 2.2572 2.2758 2.8908 2.9365 3.6045 3.7635 3.7942 3.8315 4.1332 4.1949 4.5754 4.6182 5.1318 5.1768 5.8094 5.8967 5.9312 5.9642 6.2985 6.3611 6.4028 6.5126 6.7566 6.8349 7.4718 7.5316 7.6107 7.6832 8.1423 8.1643 8.2213 8.2596 12.6975 12.8386 12.8561 12.9841 13.7315 13.8301 k = 0.5000 0.3062 0.2269 ( 3100 PWs) bands (ev): -1.2518 -1.2509 -1.2131 -1.2129 2.2431 2.2597 2.8978 2.9394 3.6222 3.7708 3.8097 3.8417 4.1571 4.2161 4.5850 4.6261 5.1043 5.1493 5.8146 5.9075 5.9385 5.9766 6.3096 6.3576 6.3968 6.5212 6.7597 6.8399 7.4398 7.4918 7.5619 7.6362 8.0965 8.1166 8.1665 8.2044 12.7912 12.9356 12.9416 13.0687 13.7206 13.8353 k = 0.5000 0.3160 0.2269 ( 3104 PWs) bands (ev): -1.2410 -1.2402 -1.2033 -1.2032 2.2306 2.2452 2.9045 2.9417 3.6397 3.7755 3.8241 3.8513 4.1803 4.2353 4.5930 4.6322 5.0786 5.1228 5.8205 5.9141 5.9480 5.9891 6.3229 6.3534 6.3895 6.5224 6.7752 6.8508 7.4113 7.4520 7.5141 7.5896 8.0563 8.0743 8.1168 8.1539 12.8842 13.0246 13.0317 13.1490 13.7099 13.8456 k = 0.5000 0.3259 0.2269 ( 3104 PWs) bands (ev): -1.2313 -1.2306 -1.1946 -1.1945 2.2197 2.2322 2.9108 2.9433 3.6570 3.7778 3.8371 3.8599 4.2024 4.2523 4.5997 4.6364 5.0555 5.0978 5.8270 5.9155 5.9602 6.0011 6.3381 6.3487 6.3814 6.5168 6.8021 6.8676 7.3841 7.4143 7.4660 7.5446 8.0218 8.0379 8.0727 8.1085 12.9757 13.1037 13.1254 13.2232 13.6983 13.8610 k = 0.5000 0.3358 0.2269 ( 3108 PWs) bands (ev): -1.2230 -1.2224 -1.1872 -1.1871 2.2106 2.2210 2.9168 2.9443 3.6739 3.7777 3.8487 3.8673 4.2231 4.2667 4.6054 4.6388 5.0356 5.0745 5.8340 5.9131 5.9740 6.0120 6.3439 6.3542 6.3726 6.5067 6.8379 6.8902 7.3510 7.3861 7.4166 7.5028 7.9931 8.0081 8.0345 8.0686 13.0646 13.1776 13.2138 13.2903 13.6851 13.8680 k = 0.5000 0.3457 0.2269 ( 3104 PWs) bands (ev): -1.2161 -1.2156 -1.1810 -1.1810 2.2032 2.2116 2.9223 2.9446 3.6901 3.7753 3.8587 3.8734 4.2419 4.2782 4.6104 4.6395 5.0195 5.0536 5.8415 5.9081 5.9879 6.0212 6.3395 6.3633 6.3712 6.4941 6.8799 6.9178 7.3102 7.3651 7.3700 7.4656 7.9698 7.9854 8.0024 8.0345 13.1494 13.2447 13.2911 13.3514 13.6700 13.8514 k = 0.5000 0.3556 0.2269 ( 3108 PWs) bands (ev): -1.2106 -1.2103 -1.1761 -1.1761 2.1976 2.2039 2.9273 2.9442 3.7056 3.7707 3.8670 3.8779 4.2584 4.2865 4.6151 4.6384 5.0078 5.0353 5.8496 5.9013 6.0011 6.0280 6.3359 6.3547 6.3878 6.4802 6.9252 6.9493 7.2675 7.3125 7.3617 7.4340 7.9522 7.9695 7.9765 8.0066 13.2281 13.3040 13.3465 13.4100 13.6552 13.8275 k = 0.5000 0.3654 0.2269 ( 3104 PWs) bands (ev): -1.2066 -1.2064 -1.1726 -1.1726 2.1939 2.1982 2.9317 2.9431 3.7200 3.7641 3.8735 3.8807 4.2721 4.2912 4.6196 4.6360 5.0009 5.0203 5.8581 5.8934 6.0129 6.0318 6.3338 6.3468 6.4043 6.4658 6.9703 6.9823 7.2272 7.2611 7.3595 7.4079 7.9405 7.9568 7.9603 7.9850 13.2969 13.3555 13.3769 13.4566 13.6494 13.7951 k = 0.5000 0.3753 0.2269 ( 3104 PWs) bands (ev): -1.2042 -1.2041 -1.1705 -1.1705 2.1921 2.1942 2.9356 2.9413 3.7333 3.7555 3.8781 3.8817 4.2825 4.2922 4.6241 4.6326 4.9988 5.0089 5.8669 5.8848 6.0223 6.0321 6.3338 6.3405 6.4203 6.4510 7.0084 7.0116 7.1965 7.2162 7.3631 7.3874 7.9351 7.9433 7.9573 7.9696 13.3487 13.3868 13.4021 13.4682 13.6682 13.7545 k = 0.5000 0.3852 0.2269 ( 3104 PWs) bands (ev): -1.2034 -1.2034 -1.1698 -1.1698 2.1922 2.1922 2.9387 2.9387 3.7452 3.7452 3.8808 3.8808 4.2893 4.2893 4.6285 4.6285 5.0016 5.0016 5.8758 5.8758 6.0289 6.0289 6.3360 6.3360 6.4358 6.4358 7.0249 7.0249 7.1901 7.1901 7.3724 7.3724 7.9360 7.9360 7.9604 7.9604 13.3781 13.3781 13.4438 13.4438 13.7091 13.7091 k = 0.5000 0.3852 0.2269 ( 3104 PWs) bands (ev): -1.2034 -1.2034 -1.1698 -1.1698 2.1922 2.1922 2.9387 2.9387 3.7452 3.7452 3.8808 3.8808 4.2893 4.2893 4.6285 4.6285 5.0016 5.0016 5.8758 5.8758 6.0289 6.0289 6.3360 6.3360 6.4358 6.4358 7.0249 7.0249 7.1901 7.1901 7.3724 7.3724 7.9360 7.9360 7.9604 7.9604 13.3781 13.3781 13.4438 13.4438 13.7091 13.7091 k = 0.4902 0.3852 0.2269 ( 3104 PWs) bands (ev): -1.2067 -1.2061 -1.1740 -1.1723 2.1920 2.1969 2.9327 2.9477 3.7404 3.7499 3.8674 3.8973 4.2840 4.2934 4.6312 4.6326 4.9936 5.0138 5.8539 5.8944 6.0012 6.0538 6.3050 6.3357 6.4124 6.4713 7.0118 7.0308 7.1759 7.2121 7.3623 7.3812 7.9356 7.9478 7.9621 7.9696 13.3498 13.3898 13.4340 13.4393 13.6900 13.7352 k = 0.4804 0.3852 0.2269 ( 3104 PWs) bands (ev): -1.2159 -1.2147 -1.1848 -1.1815 2.1962 2.2059 2.9295 2.9593 3.7355 3.7545 3.8570 3.9166 4.2778 4.2960 4.6411 4.6429 4.9899 5.0302 5.8294 5.9069 5.9735 6.0741 6.2599 6.2908 6.4178 6.5007 6.9924 7.0293 7.1706 7.2395 7.3519 7.3881 7.9464 7.9703 7.9749 7.9893 13.3128 13.3789 13.4151 13.4206 13.6795 13.7615 k = 0.4706 0.3852 0.2269 ( 3100 PWs) bands (ev): -1.2310 -1.2292 -1.2021 -1.1972 2.2044 2.2192 2.9290 2.9736 3.7307 3.7590 3.8496 3.9382 4.2711 4.2969 4.6584 4.6589 4.9905 5.0510 5.8027 5.9032 5.9558 6.0847 6.2050 6.2316 6.4294 6.5216 6.9680 7.0213 7.1733 7.2694 7.3424 7.3932 7.9677 7.9979 8.0020 8.0185 13.2724 13.3497 13.3892 13.3914 13.6718 13.7787 k = 0.4608 0.3852 0.2269 ( 3096 PWs) bands (ev): -1.2517 -1.2493 -1.2255 -1.2191 2.2166 2.2364 2.9312 2.9902 3.7262 3.7635 3.8448 3.9615 4.2642 4.2963 4.6798 4.6832 4.9956 5.0763 5.7740 5.8757 5.9535 6.0673 6.1443 6.1879 6.4391 6.5349 6.9397 7.0077 7.1820 7.2993 7.3349 7.3970 7.9982 8.0296 8.0408 8.0562 13.2326 13.3135 13.3560 13.3564 13.6575 13.7785 k = 0.4510 0.3852 0.2269 ( 3096 PWs) bands (ev): -1.2777 -1.2748 -1.2547 -1.2469 2.2322 2.2572 2.9358 3.0089 3.7221 3.7680 3.8420 3.9857 4.2571 4.2941 4.7049 4.7153 5.0053 5.1062 5.7438 5.8375 5.9467 6.0051 6.0870 6.1799 6.4461 6.5424 6.9089 6.9899 7.1947 7.3277 7.3297 7.4003 8.0366 8.0679 8.0846 8.1013 13.1958 13.2766 13.3183 13.3193 13.6302 13.7562 k = 0.4412 0.3852 0.2269 ( 3104 PWs) bands (ev): -1.3087 -1.3053 -1.2893 -1.2802 2.2509 2.2811 2.9426 3.0294 3.7186 3.7725 3.8409 4.0099 4.2501 4.2907 4.7335 4.7543 5.0196 5.1409 5.7128 5.7951 5.9118 5.9196 6.0523 6.1886 6.4507 6.5457 6.8766 6.9691 7.2095 7.3268 7.3537 7.4039 8.0811 8.1107 8.1317 8.1519 13.1635 13.2421 13.2790 13.2826 13.5881 13.7126 k = 0.4314 0.3852 0.2269 ( 3104 PWs) bands (ev): -1.3443 -1.3405 -1.3288 -1.3185 2.2722 2.3078 2.9513 3.0513 3.7158 3.7770 3.8410 4.0333 4.2431 4.2864 4.7646 4.7997 5.0383 5.1805 5.6817 5.7508 5.8250 5.8445 6.0456 6.2014 6.4535 6.5461 6.8439 6.9466 7.2253 7.3262 7.3772 7.4084 8.1297 8.1563 8.1810 8.2062 13.1368 13.2108 13.2405 13.2480 13.5340 13.6528 k = 0.4216 0.3852 0.2269 ( 3104 PWs) bands (ev): -1.3842 -1.3799 -1.3727 -1.3612 2.2955 2.3365 2.9618 3.0743 3.7136 3.7817 3.8417 4.0549 4.2363 4.2812 4.7969 4.8511 5.0605 5.2249 5.6515 5.7064 5.7264 5.7618 6.0513 6.2151 6.4549 6.5445 6.8113 6.9233 7.2415 7.3276 7.3978 7.4152 8.1802 8.2031 8.2312 8.2624 13.1160 13.1812 13.2050 13.2160 13.4728 13.5828 k = 0.4118 0.3852 0.2269 ( 3104 PWs) bands (ev): -1.4278 -1.4231 -1.4204 -1.4080 2.3204 2.3670 2.9737 3.0981 3.7121 3.7864 3.8427 4.0740 4.2295 4.2753 4.8286 4.9074 5.0844 5.2735 5.6144 5.6357 5.6629 5.6745 6.0615 6.2286 6.4556 6.5414 6.7795 6.9002 7.2576 7.3309 7.4129 7.4277 8.2307 8.2501 8.2812 8.3189 13.1005 13.1475 13.1757 13.1863 13.4113 13.5088 k = 0.4020 0.3852 0.2269 ( 3100 PWs) bands (ev): -1.4747 -1.4715 -1.4698 -1.4581 2.3465 2.3987 2.9868 3.1225 3.7112 3.7913 3.8435 4.0899 4.2229 4.2690 4.8577 4.9672 5.1071 5.3249 5.5201 5.5833 5.6078 5.6276 6.0739 6.2418 6.4560 6.5374 6.7490 6.8778 7.2736 7.3362 7.4234 7.4459 8.2790 8.2968 8.3301 8.3745 13.0881 13.1063 13.1495 13.1575 13.3583 13.4369 k = 0.3922 0.3852 0.2269 ( 3100 PWs) bands (ev): -1.5258 -1.5242 -1.5195 -1.5112 2.3733 2.4310 3.0009 3.1472 3.7107 3.7962 3.8438 4.1023 4.2163 4.2622 4.8814 5.0273 5.1240 5.3656 5.4311 5.4971 5.5965 5.6005 6.0876 6.2541 6.4567 6.5328 6.7200 6.8566 7.2895 7.3435 7.4341 7.4661 8.3236 8.3424 8.3772 8.4281 13.0562 13.0726 13.1175 13.1280 13.3246 13.3752 k = 0.3824 0.3852 0.2269 ( 3100 PWs) bands (ev): -1.5820 -1.5767 -1.5720 -1.5665 2.4004 2.4637 3.0158 3.1721 3.7106 3.8012 3.8432 4.1109 4.2098 4.2552 4.8968 5.0757 5.1354 5.3009 5.4197 5.4463 5.5895 5.6008 6.1027 6.2654 6.4582 6.5277 6.6927 6.8370 7.3054 7.3532 7.4467 7.4876 8.3641 8.3860 8.4220 8.4788 12.9958 13.0431 13.0749 13.0969 13.3160 13.3344 k = 0.3725 0.3852 0.2269 ( 3092 PWs) bands (ev): -1.6403 -1.6311 -1.6274 -1.6230 2.4275 2.4962 3.0313 3.1970 3.7108 3.8063 3.8417 4.1157 4.2034 4.2479 4.9011 5.0756 5.1598 5.2016 5.3643 5.4911 5.5989 5.6267 6.1192 6.2752 6.4611 6.5225 6.6677 6.8194 7.3217 7.3656 7.4618 7.5106 8.4006 8.4264 8.4640 8.5262 12.9262 12.9932 13.0232 13.0604 13.3235 13.3303 k = 0.3627 0.3852 0.2269 ( 3096 PWs) bands (ev): -1.7001 -1.6871 -1.6857 -1.6799 2.4542 2.5283 3.0472 3.2219 3.7111 3.8114 3.8388 4.1168 4.1972 4.2404 4.8919 5.0314 5.1029 5.1665 5.3562 5.5302 5.6283 5.6754 6.1371 6.2832 6.4658 6.5174 6.6452 6.8037 7.3386 7.3809 7.4800 7.5357 8.4331 8.4630 8.5033 8.5698 12.8505 12.9276 12.9649 13.0145 13.3418 13.3626 k = 0.3529 0.3852 0.2269 ( 3096 PWs) bands (ev): -1.7610 -1.7459 -1.7445 -1.7375 2.4803 2.5597 3.0635 3.2466 3.7115 3.8165 3.8345 4.1142 4.1911 4.2329 4.8662 4.9647 5.0108 5.1349 5.3970 5.5669 5.6733 5.7396 6.1568 6.2892 6.4722 6.5129 6.6261 6.7904 7.3566 7.3996 7.5016 7.5633 8.4620 8.4954 8.5399 8.6098 12.7714 12.8532 12.9021 12.9599 13.3829 13.4098 k = 0.3431 0.3852 0.2269 ( 3092 PWs) bands (ev): -1.8226 -1.8072 -1.8028 -1.7959 2.5057 2.5901 3.0800 3.2712 3.7119 3.8215 3.8289 4.1083 4.1853 4.2253 4.8175 4.8864 4.9340 5.0875 5.4563 5.6052 5.7284 5.8111 6.1780 6.2933 6.4792 6.5093 6.6117 6.7797 7.3764 7.4217 7.5272 7.5940 8.4876 8.5238 8.5742 8.6464 12.6912 12.7747 12.8363 12.8993 13.4413 13.4702 k = 0.3333 0.3852 0.2269 ( 3084 PWs) bands (ev): -1.8847 -1.8690 -1.8618 -1.8549 2.5300 2.6192 3.0966 3.2956 3.7123 3.8218 3.8265 4.0990 4.1797 4.2178 4.7433 4.8035 4.8776 5.0354 5.5186 5.6455 5.7893 5.8847 6.2005 6.2963 6.4844 6.5072 6.6043 6.7719 7.3986 7.4474 7.5573 7.6281 8.5106 8.5488 8.6067 8.6801 12.6110 12.6948 12.7686 12.8351 13.5142 13.5427 k = 0.3235 0.3852 0.2269 ( 3088 PWs) bands (ev): -1.9470 -1.9312 -1.9211 -1.9143 2.5531 2.6468 3.1131 3.3198 3.7127 3.8133 3.8312 4.0863 4.1742 4.2104 4.6555 4.7197 4.8321 4.9819 5.5779 5.6865 5.8521 5.9562 6.2235 6.2997 6.4851 6.5075 6.6060 6.7671 7.4239 7.4767 7.5922 7.6660 8.5319 8.5712 8.6382 8.7120 12.5316 12.6150 12.7003 12.7689 13.5999 13.6268 k = 0.3137 0.3852 0.2269 ( 3084 PWs) bands (ev): -2.0091 -1.9932 -1.9805 -1.9737 2.5750 2.6727 3.1294 3.3436 3.7130 3.8034 3.8355 4.0703 4.1688 4.2032 4.5642 4.6377 4.7897 4.9284 5.6315 5.7268 5.9140 6.0215 6.2457 6.3061 6.4806 6.5109 6.6169 6.7658 7.4528 7.5096 7.6317 7.7075 8.5527 8.5925 8.6700 8.7431 12.4535 12.5360 12.6321 12.7020 13.6972 13.7217 k = 0.3039 0.3852 0.2269 ( 3084 PWs) bands (ev): -2.0708 -2.0550 -2.0397 -2.0330 2.5954 2.6969 3.1455 3.3670 3.7132 3.7923 3.8391 4.0506 4.1629 4.1963 4.4737 4.5592 4.7482 4.8757 5.6782 5.7649 5.9726 6.0752 6.2657 6.3192 6.4725 6.5183 6.6342 6.7679 7.4853 7.5459 7.6756 7.7522 8.5747 8.6144 8.7034 8.7751 12.3770 12.4585 12.5646 12.6353 13.8053 13.8271 k = 0.2941 0.3852 0.2269 ( 3084 PWs) bands (ev): -2.1320 -2.1162 -2.0986 -2.0919 2.6143 2.7190 3.1613 3.3899 3.7134 3.7802 3.8416 4.0271 4.1556 4.1896 4.3867 4.4860 4.7074 4.8242 5.7176 5.7999 6.0255 6.1126 6.2823 6.3425 6.4636 6.5300 6.6549 6.7732 7.5213 7.5851 7.7226 7.7992 8.6000 8.6393 8.7401 8.8097 12.3025 12.3828 12.4982 12.5694 13.9236 13.9424 k = 0.2843 0.3852 0.2269 ( 3088 PWs) bands (ev): -2.1923 -2.1768 -2.1568 -2.1502 2.6314 2.7389 3.1765 3.4120 3.7136 3.7673 3.8420 3.9999 4.1434 4.1832 4.3074 4.4195 4.6674 4.7745 5.7500 5.8311 6.0710 6.1325 6.2949 6.3739 6.4570 6.5456 6.6767 6.7815 7.5600 7.6260 7.7710 7.8465 8.6316 8.6703 8.7822 8.8493 12.2300 12.3092 12.4332 12.5048 14.0514 14.0671 k = 0.2745 0.3852 0.2269 ( 3080 PWs) bands (ev): -2.2517 -2.2363 -2.2143 -2.2078 2.6470 2.7565 3.1913 3.4333 3.7137 3.7540 3.8382 3.9704 4.1173 4.1772 4.2457 4.3614 4.6286 4.7269 5.7760 5.8582 6.1079 6.1396 6.3043 6.4015 6.4612 6.5640 6.6980 6.7919 7.6001 7.6674 7.8180 7.8917 8.6725 8.7107 8.8319 8.8961 12.1597 12.2377 12.3699 12.4417 14.1881 14.2006 k = 0.2647 0.3852 0.2269 ( 3084 PWs) bands (ev): -2.3100 -2.2949 -2.2708 -2.2644 2.6607 2.7717 3.2053 3.4532 3.7126 3.7415 3.8258 3.9425 4.0666 4.1713 4.2125 4.3123 4.5913 4.6816 5.7966 5.8809 6.1354 6.1385 6.3116 6.4091 6.4872 6.5836 6.7176 6.8034 7.6396 7.7075 7.8607 7.9317 8.7262 8.7641 8.8914 8.9525 12.0917 12.1685 12.3084 12.3804 14.3332 14.3426 k = 0.2549 0.3852 0.2269 ( 3072 PWs) bands (ev): -2.3669 -2.3521 -2.3262 -2.3199 2.6726 2.7843 3.2187 3.4713 3.7074 3.7332 3.7992 3.9223 4.0002 4.1656 4.2000 4.2728 4.5557 4.6388 5.8125 5.8993 6.1332 6.1537 6.3179 6.4055 6.5233 6.6035 6.7350 6.8152 7.6767 7.7443 7.8960 7.9640 8.7955 8.8334 8.9627 9.0208 12.0260 12.1018 12.2489 12.3212 14.4862 14.4924 k = 0.2451 0.3852 0.2269 ( 3080 PWs) bands (ev): -2.4225 -2.4080 -2.3803 -2.3742 2.6827 2.7943 3.2312 3.4868 3.6951 3.7319 3.7575 3.9117 3.9308 4.1595 4.1963 4.2422 4.5220 4.5987 5.8244 5.9133 6.1254 6.1638 6.3238 6.3995 6.5588 6.6223 6.7498 6.8264 7.7094 7.7762 7.9223 7.9868 8.8820 8.9202 9.0473 9.1027 11.9627 12.0375 12.1915 12.2641 14.6465 14.6495 k = 0.2353 0.3852 0.2269 ( 3076 PWs) bands (ev): -2.4765 -2.4624 -2.4331 -2.4272 2.6909 2.8017 3.2428 3.4987 3.6777 3.7057 3.7348 3.8658 3.9072 4.1525 4.1967 4.2203 4.4904 4.5614 5.8331 5.9231 6.1167 6.1672 6.3298 6.3940 6.5908 6.6394 6.7619 6.8364 7.7363 7.8019 7.9389 8.0000 8.9860 9.0244 9.1461 9.1990 11.9019 11.9758 12.1362 12.2093 14.8136 14.8137 k = 0.2255 0.3852 0.2269 ( 3072 PWs) bands (ev): -2.5290 -2.5153 -2.4843 -2.4786 2.6972 2.8064 3.2535 3.5054 3.6485 3.6553 3.7385 3.8119 3.9054 4.1444 4.1994 4.2061 4.4609 4.5269 5.8389 5.9287 6.1078 6.1654 6.3355 6.3896 6.6185 6.6544 6.7715 6.8450 7.7567 7.8211 7.9465 8.0043 9.1061 9.1448 9.2590 9.3100 11.8435 11.9167 12.0830 12.1569 14.9841 14.9874 k = 0.2157 0.3852 0.2269 ( 3076 PWs) bands (ev): -2.5796 -2.5664 -2.5340 -2.5284 2.7017 2.8085 3.2631 3.5042 3.5888 3.6262 3.7360 3.7812 3.9044 4.1355 4.1983 4.2037 4.4335 4.4954 5.8422 5.9304 6.0991 6.1600 6.3410 6.3864 6.6418 6.6670 6.7787 6.8518 7.7705 7.8337 7.9465 8.0012 9.2406 9.2793 9.3856 9.4350 11.7876 11.8603 12.0322 12.1071 15.1607 15.1670 k = 0.2059 0.3852 0.2269 ( 3080 PWs) bands (ev): -2.6285 -2.6157 -2.5819 -2.5766 2.7044 2.8081 3.2717 3.4906 3.5283 3.5934 3.7229 3.7803 3.9034 4.1268 4.1953 4.2091 4.4084 4.4667 5.8435 5.9285 6.0907 6.1519 6.3462 6.3849 6.6610 6.6772 6.7835 6.8570 7.7780 7.8403 7.9403 7.9923 9.3872 9.4257 9.5246 9.5727 11.7343 11.8067 11.9835 12.0598 15.3428 15.3523 k = 0.1961 0.3852 0.2269 ( 3088 PWs) bands (ev): -2.6755 -2.6632 -2.6281 -2.6230 2.7055 2.8054 3.2793 3.4601 3.4683 3.5658 3.7124 3.7920 3.9021 4.1192 4.1955 4.2152 4.3856 4.4409 5.8431 5.9236 6.0828 6.1420 6.3513 6.3848 6.6765 6.6851 6.7863 6.8605 7.7800 7.8418 7.9294 7.9789 9.5440 9.5821 9.6746 9.7216 11.6834 11.7559 11.9372 12.0153 15.5300 15.5427 k = 0.1863 0.3852 0.2269 ( 3088 PWs) bands (ev): -2.7205 -2.7087 -2.6724 -2.6675 2.7050 2.8005 3.2858 3.4095 3.4153 3.5459 3.7075 3.8082 3.9000 4.1129 4.1982 4.2218 4.3651 4.4179 5.8413 5.9163 6.0751 6.1310 6.3563 6.3862 6.6885 6.6908 6.7873 6.8626 7.7775 7.8391 7.9150 7.9622 9.7089 9.7463 9.8341 9.8803 11.6352 11.7082 11.8932 11.9737 15.7220 15.7379 k = 0.1765 0.3852 0.2269 ( 3088 PWs) bands (ev): -2.7635 -2.7522 -2.7148 -2.7101 2.7032 2.7938 3.2910 3.3527 3.3641 3.5296 3.7067 3.8269 3.8973 4.1081 4.2029 4.2284 4.3473 4.3976 5.8383 5.9071 6.0675 6.1191 6.3613 6.3890 6.6945 6.6976 6.7867 6.8632 7.7712 7.8330 7.8981 7.9434 9.8803 9.9166 10.0016 10.0470 11.5896 11.6636 11.8516 11.9352 15.9183 15.9376 k = 0.1667 0.3852 0.2269 ( 3084 PWs) bands (ev): -2.8044 -2.7937 -2.7552 -2.7508 2.7001 2.7855 3.2897 3.3035 3.3113 3.5143 3.7084 3.8474 3.8937 4.1048 4.2092 4.2344 4.3324 4.3798 5.8343 5.8965 6.0600 6.1067 6.3665 6.3931 6.6964 6.7040 6.7847 6.8626 7.7619 7.8245 7.8794 7.9230 10.0565 10.0912 10.1756 10.2202 11.5466 11.6225 11.8124 11.9001 16.1184 16.1412 k = 0.1569 0.3852 0.2269 ( 3080 PWs) bands (ev): -2.8432 -2.8331 -2.7935 -2.7893 2.6959 2.7758 3.2432 3.2593 3.3011 3.4994 3.7117 3.8691 3.8895 4.1027 4.2169 4.2390 4.3212 4.3643 5.8295 5.8851 6.0523 6.0941 6.3720 6.3982 6.6966 6.7081 6.7816 6.8608 7.7506 7.8143 7.8597 7.9019 10.2358 10.2683 10.3547 10.3983 11.5064 11.5853 11.7757 11.8690 16.3219 16.3485 k = 0.1471 0.3852 0.2269 ( 3092 PWs) bands (ev): -2.8799 -2.8702 -2.8298 -2.8258 2.6909 2.7651 3.1933 3.2090 3.3036 3.4844 3.7160 3.8846 3.8914 4.1016 4.2256 4.2410 4.3143 4.3510 5.8240 5.8730 6.0445 6.0814 6.3775 6.4042 6.6955 6.7101 6.7774 6.8579 7.7377 7.8029 7.8393 7.8805 10.4163 10.4460 10.5373 10.5798 11.4691 11.5529 11.7416 11.8423 16.5283 16.5589 k = 0.1373 0.3852 0.2269 ( 3092 PWs) bands (ev): -2.9143 -2.9052 -2.8639 -2.8601 2.6852 2.7535 3.1460 3.1610 3.3058 3.4697 3.7209 3.8792 3.9142 4.1014 4.2351 4.2398 4.3124 4.3397 5.8182 5.8610 6.0367 6.0688 6.3835 6.4109 6.6931 6.7103 6.7726 6.8540 7.7239 7.7910 7.8187 7.8594 10.5954 10.6219 10.7219 10.7630 11.4352 11.5267 11.7105 11.8213 16.7368 16.7720 k = 0.1275 0.3852 0.2269 ( 3088 PWs) bands (ev): -2.9464 -2.9380 -2.8957 -2.8923 2.6790 2.7415 3.1015 3.1158 3.3075 3.4554 3.7262 3.8734 3.9371 4.1020 4.2358 4.2452 4.3147 4.3303 5.8120 5.8490 6.0289 6.0565 6.3897 6.4181 6.6899 6.7089 6.7672 6.8492 7.7097 7.7789 7.7981 7.8389 10.7692 10.7927 10.9065 10.9454 11.4056 11.5096 11.6828 11.8077 16.9469 16.9871 k = 0.1176 0.3852 0.2269 ( 3092 PWs) bands (ev): -2.9763 -2.9684 -2.9254 -2.9222 2.6726 2.7293 3.0600 3.0735 3.3087 3.4415 3.7316 3.8673 3.9598 4.1031 4.2303 4.2555 4.3198 4.3225 5.8057 5.8372 6.0210 6.0445 6.3961 6.4256 6.6858 6.7062 6.7616 6.8436 7.6954 7.7669 7.7778 7.8193 10.9299 10.9545 11.0875 11.1226 11.3845 11.5076 11.6598 11.8045 17.1573 17.2036 k = 0.1078 0.3852 0.2269 ( 3096 PWs) bands (ev): -3.0038 -2.9966 -2.9528 -2.9498 2.6660 2.7170 3.0216 3.0342 3.3096 3.4281 3.7371 3.8611 3.9821 4.1046 4.2244 4.2654 4.3164 4.3264 5.7994 5.8260 6.0133 6.0331 6.4029 6.4332 6.6812 6.7023 6.7560 6.8373 7.6816 7.7554 7.7580 7.8009 11.0627 11.1021 11.2422 11.2820 11.3996 11.5331 11.6458 11.8169 17.3667 17.4203 k = 0.0980 0.3852 0.2269 ( 3096 PWs) bands (ev): -3.0290 -3.0224 -2.9779 -2.9752 2.6596 2.7050 2.9864 2.9981 3.3103 3.4153 3.7427 3.8547 4.0037 4.1065 4.2188 4.2741 4.3125 4.3337 5.7932 5.8153 6.0059 6.0222 6.4098 6.4408 6.6762 6.6975 6.7507 6.8303 7.6685 7.7388 7.7445 7.7838 11.1505 11.2267 11.2808 11.4257 11.5187 11.6016 11.6578 11.8521 17.5726 17.6357 k = 0.0882 0.3852 0.2269 ( 3104 PWs) bands (ev): -3.0518 -3.0459 -3.0006 -2.9982 2.6533 2.6934 2.9544 2.9652 3.3109 3.4032 3.7481 3.8482 4.0244 4.1085 4.2138 4.2797 4.3121 4.3409 5.7873 5.8054 5.9988 6.0121 6.4170 6.4482 6.6710 6.6919 6.7459 6.8227 7.6564 7.7205 7.7345 7.7682 11.1927 11.2700 11.3187 11.5019 11.6760 11.7133 11.7426 11.9164 17.7703 17.8468 k = 0.0784 0.3852 0.2269 ( 3100 PWs) bands (ev): -3.0723 -3.0670 -3.0210 -3.0189 2.6475 2.6824 2.9258 2.9356 3.3116 3.3919 3.7535 3.8418 4.0439 4.1107 4.2098 4.2809 4.3162 4.3478 5.7817 5.7963 5.9921 6.0027 6.4242 6.4551 6.6660 6.6858 6.7418 6.8147 7.6454 7.7032 7.7254 7.7541 11.2066 11.2535 11.3772 11.5128 11.8369 11.8490 11.8848 12.0086 17.9492 18.0466 k = 0.0686 0.3852 0.2269 ( 3088 PWs) bands (ev): -3.0903 -3.0857 -3.0391 -3.0372 2.6423 2.6722 2.9005 2.9093 3.3124 3.3813 3.7588 3.8355 4.0619 4.1130 4.2071 4.2786 4.3234 4.3542 5.7766 5.7882 5.9860 5.9943 6.4316 6.4614 6.6612 6.6794 6.7388 6.8065 7.6359 7.6870 7.7174 7.7416 11.2074 11.2372 11.4101 11.5060 11.9914 11.9929 12.0348 12.1187 18.0830 18.2129 k = 0.0588 0.3852 0.2269 ( 3092 PWs) bands (ev): -3.1059 -3.1019 -3.0547 -3.0531 2.6377 2.6628 2.8786 2.8863 3.3134 3.3714 3.7640 3.8293 4.0778 4.1151 4.2058 4.2745 4.3317 4.3597 5.7719 5.7809 5.9805 5.9868 6.4388 6.4667 6.6567 6.6729 6.7367 6.7979 7.6279 7.6722 7.7105 7.7306 11.2029 11.2225 11.4274 11.4955 12.1299 12.1386 12.1774 12.2343 18.1267 18.2751 k = 0.0490 0.3852 0.2269 ( 3096 PWs) bands (ev): -3.1191 -3.1158 -3.0680 -3.0666 2.6339 2.6545 2.8601 2.8667 3.3147 3.3624 3.7691 3.8232 4.0915 4.1172 4.2062 4.2692 4.3399 4.3641 5.7678 5.7746 5.9756 5.9804 6.4458 6.4711 6.6528 6.6667 6.7358 6.7893 7.6215 7.6589 7.7049 7.7211 11.1966 11.2096 11.4360 11.4848 12.2580 12.2699 12.3068 12.3456 18.0817 18.2045 k = 0.0392 0.3852 0.2269 ( 3096 PWs) bands (ev): -3.1298 -3.1272 -3.0788 -3.0777 2.6310 2.6472 2.8451 2.8505 3.3166 3.3542 3.7742 3.8172 4.1026 4.1190 4.2085 4.2632 4.3475 4.3674 5.7645 5.7695 5.9716 5.9750 6.4526 6.4742 6.6496 6.6609 6.7362 6.7807 7.6170 7.6471 7.7004 7.7131 11.1903 11.1990 11.4403 11.4750 12.3709 12.3833 12.4192 12.4454 18.0026 18.0944 k = 0.0294 0.3852 0.2269 ( 3096 PWs) bands (ev): -3.1381 -3.1361 -3.0872 -3.0864 2.6290 2.6410 2.8336 2.8377 3.3189 3.3469 3.7793 3.8114 4.1108 4.1205 4.2127 4.2565 4.3543 4.3695 5.7619 5.7654 5.9684 5.9707 6.4588 6.4759 6.6473 6.6558 6.7380 6.7724 7.6142 7.6370 7.6973 7.7066 11.1849 11.1905 11.4426 11.4665 12.4643 12.4753 12.5112 12.5284 17.9255 17.9909 k = 0.0196 0.3852 0.2269 ( 3108 PWs) bands (ev): -3.1440 -3.1426 -3.0932 -3.0926 2.6281 2.6361 2.8255 2.8283 3.3217 3.3403 3.7844 3.8058 4.1165 4.1216 4.2186 4.2492 4.3600 4.3702 5.7600 5.7622 5.9661 5.9676 6.4643 6.4762 6.6459 6.6516 6.7410 6.7645 7.6133 7.6285 7.6954 7.7015 11.1809 11.1843 11.4444 11.4594 12.5348 12.5429 12.5799 12.5903 17.8660 17.9084 k = 0.0098 0.3852 0.2269 ( 3112 PWs) bands (ev): -3.1473 -3.1467 -3.0967 -3.0964 2.6284 2.6323 2.8210 2.8224 3.3253 3.3345 3.7896 3.8003 4.1199 4.1221 4.2258 4.2415 4.3645 4.3697 5.7590 5.7601 5.9649 5.9656 6.4690 6.4751 6.6456 6.6485 6.7453 6.7572 7.6143 7.6219 7.6949 7.6979 11.1787 11.1803 11.4466 11.4538 12.5793 12.5836 12.6230 12.6279 17.8319 17.8527 k = 0.0000 0.3852 0.2269 ( 3108 PWs) bands (ev): -3.1482 -3.1482 -3.0978 -3.0978 2.6297 2.6297 2.8200 2.8200 3.3295 3.3295 3.7949 3.7949 4.1216 4.1216 4.2336 4.2336 4.3678 4.3678 5.7591 5.7591 5.9647 5.9647 6.4727 6.4727 6.6465 6.6465 6.7508 6.7508 7.6172 7.6172 7.6957 7.6957 11.1784 11.1784 11.4496 11.4496 12.5958 12.5958 12.6391 12.6391 17.8270 17.8270 k = 0.0000 0.3852 0.2269 ( 3108 PWs) bands (ev): -3.1482 -3.1482 -3.0978 -3.0978 2.6297 2.6297 2.8200 2.8200 3.3295 3.3295 3.7949 3.7949 4.1216 4.1216 4.2336 4.2336 4.3678 4.3678 5.7591 5.7591 5.9647 5.9647 6.4727 6.4727 6.6465 6.6465 6.7508 6.7508 7.6172 7.6172 7.6957 7.6957 11.1784 11.1784 11.4496 11.4496 12.5958 12.5958 12.6391 12.6391 17.8270 17.8270 k = 0.0000 0.3753 0.2269 ( 3116 PWs) bands (ev): -3.1499 -3.1491 -3.0988 -3.0977 2.6147 2.6372 2.8181 2.8310 3.3296 3.3298 3.7732 3.8194 4.1168 4.1231 4.2263 4.2474 4.3602 4.3760 5.7470 5.7672 5.9533 5.9784 6.4668 6.4813 6.6314 6.6620 6.7377 6.7647 7.6086 7.6143 7.6988 7.7024 11.1721 11.1880 11.4484 11.4613 12.5924 12.5949 12.6387 12.6410 17.8229 17.8255 k = 0.0000 0.3654 0.2269 ( 3118 PWs) bands (ev): -3.1540 -3.1525 -3.1007 -3.0986 2.5949 2.6359 2.8263 2.8482 3.3302 3.3303 3.7552 3.8461 4.1103 4.1213 4.2243 4.2676 4.3536 4.3847 5.7322 5.7698 5.9463 5.9933 6.4638 6.4924 6.6171 6.6780 6.7256 6.7792 7.5922 7.6017 7.7100 7.7154 11.1696 11.2005 11.4580 11.4828 12.5853 12.5897 12.6399 12.6437 17.8133 17.8184 k = 0.0000 0.3556 0.2269 ( 3114 PWs) bands (ev): -3.1604 -3.1583 -3.1035 -3.1006 2.5732 2.6277 2.8424 2.8686 3.3306 3.3314 3.7420 3.8744 4.1042 4.1170 4.2257 4.2931 4.3487 4.3937 5.7154 5.7658 5.9450 6.0085 6.4637 6.5055 6.6035 6.6936 6.7154 6.7944 7.5716 7.5839 7.7251 7.7309 11.1718 11.2161 11.4779 11.5132 12.5755 12.5812 12.6415 12.6463 17.7988 17.8061 k = 0.0000 0.3457 0.2269 ( 3106 PWs) bands (ev): -3.1689 -3.1664 -3.1074 -3.1038 2.5513 2.6157 2.8626 2.8898 3.3302 3.3331 3.7347 3.9038 4.1005 4.1112 4.2290 4.3226 4.3460 4.4031 5.6973 5.7552 5.9499 6.0237 6.4663 6.5200 6.5908 6.6994 6.7165 6.8101 7.5486 7.5634 7.7416 7.7476 11.1793 11.2353 11.5074 11.5516 12.5637 12.5704 12.6429 12.6484 17.7799 17.7891 k = 0.0000 0.3358 0.2269 ( 3110 PWs) bands (ev): -3.1795 -3.1767 -3.1123 -3.1082 2.5302 2.6024 2.8839 2.9102 3.3284 3.3352 3.7346 3.9338 4.1001 4.1046 4.2329 4.3465 4.3544 4.4137 5.6782 5.7391 5.9602 6.0388 6.4712 6.5355 6.5789 6.6922 6.7322 6.8262 7.5238 7.5411 7.7587 7.7647 11.1927 11.2591 11.5453 11.5973 12.5502 12.5579 12.6437 12.6495 17.7570 17.7681 k = 0.0000 0.3259 0.2269 ( 3100 PWs) bands (ev): -3.1918 -3.1889 -3.1183 -3.1138 2.5107 2.5893 2.9039 2.9286 3.3246 3.3374 3.7429 3.9642 4.0980 4.1039 4.2371 4.3509 4.3847 4.4286 5.6586 5.7194 5.9746 6.0538 6.4780 6.5511 6.5680 6.6848 6.7498 6.8428 7.4976 7.5177 7.7761 7.7821 11.2124 11.2881 11.5903 11.6494 12.5354 12.5443 12.6435 12.6498 17.7306 17.7436 k = 0.0000 0.3160 0.2269 ( 3104 PWs) bands (ev): -3.2059 -3.2028 -3.1254 -3.1206 2.4930 2.5773 2.9212 2.9441 3.3184 3.3395 3.7599 3.9944 4.0920 4.1118 4.2419 4.3600 4.4060 4.4548 5.6387 5.6976 5.9920 6.0690 6.4857 6.5583 6.5661 6.6790 6.7679 6.8596 7.4704 7.4936 7.7937 7.7998 11.2386 11.3231 11.6412 11.7072 12.5195 12.5300 12.6424 12.6490 17.7009 17.7161 k = 0.0000 0.3062 0.2269 ( 3102 PWs) bands (ev): -3.2215 -3.2184 -3.1336 -3.1285 2.4775 2.5669 2.9349 2.9560 3.3095 3.3409 3.7854 4.0235 4.0875 4.1233 4.2487 4.3742 4.4179 4.4924 5.6191 5.6750 6.0117 6.0845 6.4937 6.5502 6.5795 6.6755 6.7863 6.8767 7.4423 7.4689 7.8117 7.8178 11.2714 11.3644 11.6967 11.7700 12.5030 12.5155 12.6403 12.6474 17.6678 17.6860 k = 0.0000 0.2963 0.2269 ( 3102 PWs) bands (ev): -3.2384 -3.2354 -3.1429 -3.1376 2.4641 2.5584 2.9446 2.9641 3.2981 3.3412 3.8179 4.0496 4.0858 4.1376 4.2603 4.3936 4.4256 4.5360 5.6001 5.6525 6.0330 6.1003 6.5002 6.5448 6.5902 6.6751 6.8049 6.8940 7.4137 7.4441 7.8301 7.8364 11.3107 11.4123 11.7557 11.8370 12.4863 12.5015 12.6373 12.6449 17.6307 17.6534 k = 0.0000 0.2864 0.2269 ( 3106 PWs) bands (ev): -3.2567 -3.2537 -3.1532 -3.1477 2.4530 2.5519 2.9502 2.9684 3.2847 3.3401 3.8540 4.0702 4.0893 4.1531 4.2807 4.4181 4.4313 4.5831 5.5822 5.6310 6.0555 6.1167 6.5030 6.5439 6.5973 6.6781 6.8237 6.9114 7.3849 7.4193 7.8490 7.8556 11.3563 11.4668 11.8166 11.9074 12.4700 12.4890 12.6333 12.6417 17.5865 17.6173 k = 0.0000 0.2765 0.2269 ( 3114 PWs) bands (ev): -3.2760 -3.2731 -3.1643 -3.1588 2.4441 2.5473 2.9519 2.9690 3.2698 3.3374 3.8889 4.0837 4.1016 4.1673 4.3138 4.4356 4.4472 4.6330 5.5659 5.6112 6.0790 6.1335 6.5010 6.5480 6.6010 6.6840 6.8425 6.9289 7.3561 7.3949 7.8687 7.8756 11.4077 11.5277 11.8779 11.9802 12.4551 12.4795 12.6286 12.6379 17.5201 17.5683 k = 0.0000 0.2667 0.2269 ( 3114 PWs) bands (ev): -3.2963 -3.2934 -3.1762 -3.1706 2.4374 2.5448 2.9501 2.9664 3.2540 3.3330 3.9166 4.0910 4.1276 4.1784 4.3601 4.4389 4.4804 4.6853 5.5521 5.5941 6.1031 6.1507 6.4957 6.5554 6.6022 6.6916 6.8615 6.9465 7.3279 7.3712 7.8894 7.8966 11.4642 11.5946 11.9374 12.0537 12.4434 12.4749 12.6231 12.6337 17.3716 17.4144 k = 0.0000 0.2568 0.2269 ( 3106 PWs) bands (ev): -3.3174 -3.3146 -3.1889 -3.1833 2.4327 2.5442 2.9449 2.9608 3.2377 3.3272 3.9335 4.0935 4.1691 4.1867 4.4171 4.4413 4.5173 4.7397 5.5412 5.5805 6.1278 6.1683 6.4887 6.5641 6.6020 6.6992 6.8806 6.9642 7.3006 7.3485 7.9112 7.9189 11.5249 11.6665 11.9928 12.1254 12.4375 12.4781 12.6170 12.6296 17.1508 17.1839 k = 0.0000 0.2469 0.2269 ( 3106 PWs) bands (ev): -3.3391 -3.3365 -3.2021 -3.1965 2.4299 2.5454 2.9368 2.9526 3.2213 3.3200 3.9410 4.0927 4.1926 4.2227 4.4429 4.4804 4.5585 4.7963 5.5342 5.5713 6.1527 6.1861 6.4806 6.5731 6.6011 6.7057 6.8998 6.9818 7.2748 7.3271 7.9344 7.9425 11.5883 11.7418 12.0420 12.1906 12.4422 12.4923 12.6104 12.6263 16.9129 16.9446 k = 0.0000 0.2370 0.2269 ( 3108 PWs) bands (ev): -3.3613 -3.3588 -3.2158 -3.2102 2.4289 2.5484 2.9263 2.9423 3.2052 3.3117 3.9425 4.0896 4.1968 4.2832 4.4440 4.5429 4.6074 4.8550 5.5320 5.5675 6.1777 6.2038 6.4718 6.5820 6.6000 6.7101 6.9189 6.9994 7.2510 7.3072 7.9592 7.9678 11.6523 11.8170 12.0851 12.2433 12.4635 12.5200 12.6033 12.6253 16.6703 16.7030 k = 0.0000 0.2272 0.2269 ( 3100 PWs) bands (ev): -3.3839 -3.3815 -3.2299 -3.2244 2.4296 2.5528 2.9137 2.9303 3.1894 3.3027 3.9407 4.0852 4.1995 4.3448 4.4459 4.5952 4.6705 4.9159 5.5357 5.5705 6.2025 6.2214 6.4622 6.5907 6.5991 6.7118 6.9379 7.0168 7.2298 7.2893 7.9859 7.9949 11.7141 11.8849 12.1280 12.2814 12.5013 12.5618 12.5960 12.6313 16.4262 16.4608 k = 0.0000 0.2173 0.2269 ( 3100 PWs) bands (ev): -3.4067 -3.4044 -3.2443 -3.2388 2.4318 2.5586 2.8993 2.9168 3.1743 3.2930 3.9370 4.0798 4.2011 4.3980 4.4545 4.6362 4.7459 4.9788 5.5464 5.5815 6.2271 6.2385 6.4519 6.5984 6.5990 6.7102 6.9568 7.0340 7.2117 7.2733 8.0146 8.0241 11.7696 11.9345 12.1829 12.3126 12.5383 12.5872 12.6171 12.6571 16.1823 16.2189 k = 0.0000 0.2074 0.2269 ( 3102 PWs) bands (ev): -3.4295 -3.4274 -3.2588 -3.2534 2.4353 2.5656 2.8836 2.9023 3.1597 3.2829 3.9324 4.0739 4.2017 4.4206 4.4893 4.6700 4.8266 5.0437 5.5654 5.6019 6.2509 6.2545 6.4411 6.5981 6.6071 6.7051 6.9752 7.0509 7.1971 7.2595 8.0455 8.0555 11.8145 11.9588 12.2590 12.3477 12.5559 12.5796 12.6802 12.7138 15.9396 15.9781 k = 0.0000 0.1975 0.2269 ( 3094 PWs) bands (ev): -3.4523 -3.4502 -3.2733 -3.2681 2.4400 2.5736 2.8669 2.8871 3.1460 3.2726 3.9275 4.0677 4.2015 4.4226 4.5383 4.6983 4.9085 5.1104 5.5939 5.6331 6.2689 6.2740 6.4302 6.5981 6.6151 6.6967 6.9931 7.0674 7.1863 7.2481 8.0790 8.0894 11.8454 11.9624 12.3541 12.3936 12.5609 12.5717 12.7491 12.7905 15.6990 15.7392 k = 0.0000 0.1877 0.2269 ( 3094 PWs) bands (ev): -3.4748 -3.4729 -3.2878 -3.2828 2.4457 2.5824 2.8496 2.8713 3.1329 3.2621 3.9225 4.0613 4.2005 4.4195 4.5841 4.7215 4.9891 5.1780 5.6331 5.6760 6.2806 6.2960 6.4201 6.5983 6.6230 6.6854 7.0101 7.0833 7.1796 7.2391 8.1151 8.1259 11.8617 11.9532 12.4495 12.4615 12.5644 12.5649 12.8209 12.8758 15.4614 15.5028 k = 0.0000 0.1778 0.2269 ( 3100 PWs) bands (ev): -3.4969 -3.4951 -3.3022 -3.2973 2.4522 2.5915 2.8320 2.8554 3.1206 3.2515 3.9177 4.0549 4.1990 4.4145 4.6230 4.7396 5.0667 5.2457 5.6837 5.7310 6.2882 6.3164 6.4122 6.5984 6.6309 6.6718 7.0259 7.0984 7.1768 7.2326 8.1540 8.1652 11.8652 11.9366 12.4991 12.5481 12.5859 12.5866 12.8929 12.9646 15.2276 15.2696 k = 0.0000 0.1679 0.2269 ( 3100 PWs) bands (ev): -3.5186 -3.5169 -3.3163 -3.3116 2.4594 2.6009 2.8146 2.8397 3.1090 3.2410 3.9132 4.0485 4.1971 4.4082 4.6544 4.7529 5.1403 5.3123 5.7459 5.7981 6.2898 6.3350 6.4083 6.5977 6.6388 6.6575 7.0403 7.1124 7.1779 7.2288 8.1958 8.2073 11.8593 11.9156 12.5164 12.5447 12.6470 12.7050 12.9628 13.0549 14.9985 15.0405 k = 0.0000 0.1580 0.2269 ( 3090 PWs) bands (ev): -3.5397 -3.5381 -3.3301 -3.3256 2.4671 2.6102 2.7977 2.8242 3.0983 3.2306 3.9093 4.0422 4.1950 4.4010 4.6787 4.7618 5.2094 5.3769 5.8190 5.8762 6.2846 6.3513 6.4097 6.5947 6.6448 6.6469 7.0532 7.1250 7.1826 7.2277 8.2406 8.2524 11.8467 11.8920 12.5162 12.5372 12.7291 12.8319 13.0283 13.1455 14.7753 14.8164 k = 0.0000 0.1481 0.2269 ( 3098 PWs) bands (ev): -3.5600 -3.5586 -3.3435 -3.3391 2.4750 2.6187 2.7819 2.8094 3.0884 3.2202 3.9057 4.0358 4.1928 4.3928 4.6966 4.7670 5.2741 5.4389 5.9015 5.9636 6.2730 6.3647 6.4157 6.5870 6.6369 6.6549 7.0644 7.1358 7.1901 7.2294 8.2884 8.3004 11.8298 11.8670 12.5115 12.5295 12.8144 12.9610 13.0875 13.2359 14.5592 14.5983 k = 0.0000 0.1383 0.2269 ( 3098 PWs) bands (ev): -3.5795 -3.5782 -3.3563 -3.3522 2.4830 2.6259 2.7676 2.7954 3.0795 3.2100 3.9027 4.0293 4.1907 4.3840 4.7093 4.7691 5.3346 5.4981 5.9912 6.0584 6.2572 6.3743 6.4250 6.5750 6.6348 6.6631 7.0741 7.1445 7.2001 7.2339 8.3391 8.3512 11.8103 11.8414 12.5053 12.5221 12.8937 13.0827 13.1442 13.3262 14.3522 14.3875 k = 0.0000 0.1284 0.2269 ( 3084 PWs) bands (ev): -3.5982 -3.5970 -3.3686 -3.3647 2.4910 2.6313 2.7557 2.7825 3.0716 3.1999 3.9004 4.0228 4.1890 4.3745 4.7179 4.7689 5.3913 5.5545 6.0848 6.1584 6.2393 6.3794 6.4367 6.5617 6.6367 6.6714 7.0826 7.1513 7.2118 7.2409 8.3925 8.4046 11.7893 11.8157 12.4986 12.5150 12.9586 13.1460 13.2423 13.4164 14.1573 14.1853 k = 0.0000 0.1185 0.2269 ( 3084 PWs) bands (ev): -3.6157 -3.6147 -3.3803 -3.3766 2.4988 2.6338 2.7467 2.7709 3.0648 3.1900 3.8986 4.0162 4.1875 4.3645 4.7231 4.7667 5.4446 5.6085 6.1715 6.2283 6.2613 6.3791 6.4504 6.5499 6.6408 6.6799 7.0900 7.1564 7.2245 7.2496 8.4482 8.4603 11.7676 11.7905 12.4916 12.5082 13.0003 13.1581 13.3631 13.5059 13.9809 13.9946 k = 0.0000 0.1086 0.2269 ( 3080 PWs) bands (ev): -3.6322 -3.6313 -3.3912 -3.3878 2.5061 2.6330 2.7411 2.7606 3.0591 3.1802 3.8976 4.0094 4.1868 4.3540 4.7258 4.7633 5.4949 5.6600 6.1840 6.2877 6.3601 6.3773 6.4676 6.5418 6.6464 6.6888 7.0964 7.1602 7.2378 7.2595 8.5058 8.5177 11.7461 11.7660 12.4845 12.5020 13.0112 13.1392 13.4610 13.5853 13.8255 13.8434 k = 0.0000 0.0988 0.2269 ( 3086 PWs) bands (ev): -3.6476 -3.6467 -3.4014 -3.3983 2.5129 2.6290 2.7388 2.7518 3.0547 3.1705 3.8971 4.0024 4.1867 4.3432 4.7268 4.7589 5.5423 5.7091 6.1633 6.3583 6.3684 6.4666 6.4938 6.5399 6.6531 6.6987 7.1022 7.1631 7.2510 7.2699 8.5647 8.5763 11.7250 11.7426 12.4774 12.4962 12.9883 13.0893 13.4695 13.5732 13.7595 13.8088 k = 0.0000 0.0889 0.2269 ( 3086 PWs) bands (ev): -3.6616 -3.6608 -3.4107 -3.4079 2.5190 2.6225 2.7389 2.7448 3.0516 3.1610 3.8974 3.9953 4.1874 4.3321 4.7265 4.7540 5.5871 5.7561 6.1396 6.3410 6.4244 6.5222 6.5415 6.5817 6.6614 6.7114 7.1072 7.1655 7.2639 7.2803 8.6240 8.6351 11.7050 11.7206 12.4702 12.4911 12.9354 13.0118 13.3756 13.4375 13.8263 13.8886 k = 0.0000 0.0790 0.2269 ( 3086 PWs) bands (ev): -3.6744 -3.6737 -3.4192 -3.4166 2.5245 2.6144 2.7394 2.7403 3.0499 3.1516 3.8984 3.9880 4.1890 4.3208 4.7255 4.7489 5.6295 5.8009 6.1151 6.3201 6.4527 6.5261 6.6045 6.6542 6.6890 6.7322 7.1116 7.1674 7.2761 7.2902 8.6828 8.6934 11.6862 11.7002 12.4627 12.4867 12.8616 12.9149 13.2549 13.2922 13.9092 14.0048 k = 0.0000 0.0691 0.2269 ( 3086 PWs) bands (ev): -3.6858 -3.6852 -3.4267 -3.4245 2.5293 2.6057 2.7357 2.7423 3.0496 3.1423 3.9001 3.9805 4.1915 4.3094 4.7241 4.7437 5.6696 5.8436 6.0900 6.2965 6.4689 6.5268 6.6532 6.6691 6.7727 6.7727 7.1153 7.1690 7.2874 7.2995 8.7400 8.7498 11.6691 11.6816 12.4543 12.4830 12.7778 12.8088 13.1354 13.1562 13.9866 14.1260 k = 0.0000 0.0593 0.2269 ( 3092 PWs) bands (ev): -3.6957 -3.6952 -3.4333 -3.4314 2.5334 2.5969 2.7335 2.7440 3.0507 3.1330 3.9025 3.9730 4.1950 4.2980 4.7225 4.7388 5.7075 5.8842 6.0647 6.2712 6.4804 6.5270 6.6766 6.6776 6.8336 6.8570 7.1182 7.1703 7.2975 7.3076 8.7942 8.8031 11.6538 11.6650 12.4442 12.4802 12.6940 12.7026 13.0240 13.0334 14.0544 14.2262 k = 0.0000 0.0494 0.2269 ( 3092 PWs) bands (ev): -3.7042 -3.7038 -3.4389 -3.4373 2.5372 2.5884 2.7328 2.7452 3.0532 3.1240 3.9056 3.9654 4.1995 4.2867 4.7209 4.7342 5.7436 5.9226 6.0396 6.2446 6.4896 6.5269 6.6829 6.6893 6.8991 6.9334 7.1201 7.1712 7.3065 7.3147 8.8440 8.8518 11.6407 11.6505 12.4302 12.4783 12.6034 12.6194 12.9239 12.9256 14.1116 14.2495 k = 0.0000 0.0395 0.2269 ( 3088 PWs) bands (ev): -3.7112 -3.7109 -3.4435 -3.4422 2.5407 2.5804 2.7331 2.7456 3.0570 3.1151 3.9093 3.9580 4.2049 4.2756 4.7197 4.7301 5.7779 5.9576 6.0159 6.2172 6.4973 6.5264 6.6885 6.6959 6.9594 7.0000 7.1208 7.1717 7.3140 7.3205 8.8878 8.8943 11.6299 11.6383 12.4092 12.4766 12.5168 12.5622 12.8344 12.8373 14.1591 14.2613 k = 0.0000 0.0296 0.2269 ( 3080 PWs) bands (ev): -3.7167 -3.7164 -3.4471 -3.4461 2.5441 2.5732 2.7344 2.7453 3.0619 3.1063 3.9137 3.9507 4.2112 4.2648 4.7189 4.7266 5.8106 5.9743 6.0086 6.1888 6.5039 6.5253 6.6932 6.6997 7.0102 7.0553 7.1199 7.1713 7.3200 7.3248 8.9241 8.9292 11.6216 11.6283 12.3813 12.4407 12.4809 12.5264 12.7615 12.7665 14.1976 14.2699 k = 0.0000 0.0198 0.2269 ( 3096 PWs) bands (ev): -3.7206 -3.7204 -3.4496 -3.4489 2.5476 2.5666 2.7362 2.7442 3.0677 3.0977 3.9186 3.9435 4.2183 4.2544 4.7185 4.7236 5.8418 5.9545 6.0358 6.1597 6.5094 6.5235 6.6969 6.7016 7.0499 7.0985 7.1169 7.1691 7.3244 7.3276 8.9515 8.9549 11.6160 11.6207 12.3539 12.3867 12.4822 12.5073 12.7082 12.7131 14.2278 14.2741 k = 0.0000 0.0099 0.2269 ( 3098 PWs) bands (ev): -3.7229 -3.7228 -3.4510 -3.4507 2.5515 2.5609 2.7383 2.7426 3.0744 3.0895 3.9241 3.9366 4.2263 4.2444 4.7188 4.7213 5.8717 5.9283 6.0676 6.1298 6.5141 6.5211 6.6997 6.7022 7.0786 7.1094 7.1309 7.1632 7.3274 7.3290 8.9688 8.9705 11.6132 11.6156 12.3363 12.3509 12.4857 12.4971 12.6762 12.6792 14.2501 14.2727 k = 0.0000 0.0000 0.2269 ( 3092 PWs) bands (ev): -3.7237 -3.7237 -3.4514 -3.4514 2.5559 2.5559 2.7406 2.7406 3.0817 3.0817 3.9302 3.9302 4.2350 4.2350 4.7197 4.7197 5.9006 5.9006 6.0991 6.0991 6.5180 6.5180 6.7015 6.7015 7.0978 7.0978 7.1514 7.1514 7.3289 7.3289 8.9752 8.9752 11.6131 11.6131 12.3344 12.3344 12.4906 12.4906 12.6665 12.6665 14.2650 14.2650 k = 0.0000 0.3852-0.0000 ( 3080 PWs) bands (ev): -3.1578 -3.1578 -3.1175 -3.1175 2.7150 2.7150 3.0550 3.0550 3.5710 3.5710 3.9480 3.9480 4.1269 4.1269 4.3760 4.3760 4.4567 4.4567 5.2892 5.2892 5.4832 5.4832 6.4152 6.4152 6.6163 6.6163 6.7167 6.7167 6.8236 6.8236 7.0773 7.0773 12.4991 12.4991 12.5327 12.5327 13.9529 13.9529 14.3340 14.3340 15.6681 15.6681 k = 0.0000 0.3852 0.0099 ( 3082 PWs) bands (ev): -3.1578 -3.1578 -3.1174 -3.1174 2.7147 2.7147 3.0542 3.0542 3.5689 3.5689 3.9467 3.9467 4.1273 4.1273 4.3757 4.3757 4.4546 4.4546 5.2934 5.2934 5.4862 5.4862 6.4157 6.4157 6.6168 6.6168 6.7172 6.7172 6.8250 6.8250 7.0788 7.0788 12.4986 12.4986 12.5324 12.5324 13.9259 13.9259 14.3054 14.3054 15.6983 15.6983 k = 0.0000 0.3852 0.0197 ( 3086 PWs) bands (ev): -3.1576 -3.1576 -3.1171 -3.1171 2.7136 2.7136 3.0519 3.0519 3.5628 3.5628 3.9431 3.9431 4.1284 4.1284 4.3749 4.3749 4.4488 4.4488 5.3060 5.3060 5.4949 5.4949 6.4171 6.4171 6.6182 6.6182 6.7188 6.7188 6.8296 6.8296 7.0834 7.0834 12.4972 12.4972 12.5316 12.5316 13.8504 13.8504 14.2252 14.2252 15.7836 15.7836 k = 0.0000 0.3852 0.0296 ( 3082 PWs) bands (ev): -3.1574 -3.1574 -3.1167 -3.1167 2.7117 2.7117 3.0482 3.0482 3.5530 3.5530 3.9374 3.9374 4.1301 4.1301 4.3735 4.3735 4.4396 4.4396 5.3263 5.3263 5.5089 5.5089 6.4193 6.4193 6.6204 6.6204 6.7213 6.7213 6.8377 6.8377 7.0912 7.0912 12.4946 12.4946 12.5302 12.5302 13.7385 13.7385 14.1063 14.1063 15.9119 15.9119 k = 0.0000 0.3852 0.0395 ( 3086 PWs) bands (ev): -3.1571 -3.1571 -3.1161 -3.1161 2.7092 2.7092 3.0428 3.0428 3.5398 3.5398 3.9301 3.9301 4.1319 4.1319 4.3713 4.3713 4.4278 4.4278 5.3534 5.3534 5.5273 5.5273 6.4223 6.4223 6.6231 6.6231 6.7244 6.7244 6.8499 6.8499 7.1022 7.1022 12.4904 12.4904 12.5280 12.5280 13.6030 13.6030 13.9618 13.9618 16.0710 16.0710 k = 0.0000 0.3852 0.0493 ( 3090 PWs) bands (ev): -3.1567 -3.1567 -3.1153 -3.1153 2.7060 2.7060 3.0358 3.0358 3.5241 3.5241 3.9218 3.9218 4.1337 4.1337 4.3682 4.3682 4.4146 4.4146 5.3861 5.3861 5.5494 5.5494 6.4257 6.4257 6.6261 6.6261 6.7279 6.7279 6.8670 6.8670 7.1166 7.1166 12.4839 12.4839 12.5246 12.5246 13.4541 13.4541 13.8021 13.8021 16.2510 16.2510 k = 0.0000 0.3852 0.0592 ( 3088 PWs) bands (ev): -3.1563 -3.1563 -3.1144 -3.1144 2.7022 2.7022 3.0272 3.0272 3.5064 3.5064 3.9127 3.9127 4.1354 4.1354 4.3633 4.3633 4.4016 4.4016 5.4229 5.4229 5.5742 5.5742 6.4295 6.4295 6.6291 6.6291 6.7314 6.7314 6.8897 6.8897 7.1345 7.1345 12.4739 12.4739 12.5197 12.5197 13.3000 13.3000 13.6345 13.6345 16.4452 16.4452 k = 0.0000 0.3852 0.0691 ( 3084 PWs) bands (ev): -3.1558 -3.1558 -3.1134 -3.1134 2.6979 2.6979 3.0169 3.0169 3.4876 3.4876 3.9032 3.9032 4.1367 4.1367 4.3554 4.3554 4.3909 4.3909 5.4624 5.4624 5.6011 5.6011 6.4336 6.4336 6.6319 6.6319 6.7347 6.7347 6.9185 6.9185 7.1561 7.1561 12.4579 12.4579 12.5123 12.5123 13.1475 13.1475 13.4645 13.4645 16.6488 16.6488 k = 0.0000 0.3852 0.0789 ( 3088 PWs) bands (ev): -3.1552 -3.1552 -3.1122 -3.1122 2.6931 2.6931 3.0050 3.0050 3.4685 3.4685 3.8936 3.8936 4.1375 4.1375 4.3439 4.3439 4.3837 4.3837 5.5027 5.5027 5.6296 5.6296 6.4377 6.4377 6.6344 6.6344 6.7376 6.7376 6.9535 6.9535 7.1814 7.1814 12.4316 12.4316 12.5012 12.5012 13.0039 13.0039 13.2968 13.2968 16.8582 16.8582 k = 0.0000 0.3852 0.0888 ( 3088 PWs) bands (ev): -3.1546 -3.1546 -3.1110 -3.1110 2.6879 2.6879 2.9915 2.9915 3.4496 3.4496 3.8838 3.8838 4.1379 4.1379 4.3302 4.3302 4.3794 4.3794 5.5423 5.5423 5.6594 5.6594 6.4417 6.4417 6.6366 6.6366 6.7401 6.7401 6.9944 6.9944 7.2105 7.2105 12.3879 12.3879 12.4840 12.4840 12.8786 12.8786 13.1363 13.1363 17.0702 17.0702 k = 0.0000 0.3852 0.0987 ( 3094 PWs) bands (ev): -3.1540 -3.1540 -3.1097 -3.1097 2.6823 2.6823 2.9767 2.9767 3.4316 3.4316 3.8741 3.8741 4.1378 4.1378 4.3159 4.3159 4.3766 4.3766 5.5793 5.5793 5.6906 5.6906 6.4456 6.4456 6.6384 6.6384 6.7421 6.7421 7.0408 7.0408 7.2435 7.2435 12.3184 12.3184 12.4562 12.4562 12.7813 12.7813 12.9896 12.9896 17.2809 17.2809 k = 0.0000 0.3852 0.1085 ( 3092 PWs) bands (ev): -3.1534 -3.1534 -3.1084 -3.1084 2.6766 2.6766 2.9608 2.9608 3.4148 3.4148 3.8645 3.8645 4.1372 4.1372 4.3022 4.3022 4.3746 4.3746 5.6126 5.6126 5.7229 5.7229 6.4493 6.4493 6.6400 6.6400 6.7439 6.7439 7.0921 7.0921 7.2801 7.2801 12.2212 12.2212 12.4102 12.4102 12.7154 12.7154 12.8662 12.8662 17.4824 17.4824 k = 0.0000 0.3852 0.1184 ( 3092 PWs) bands (ev): -3.1527 -3.1527 -3.1070 -3.1070 2.6708 2.6708 2.9442 2.9442 3.3996 3.3996 3.8551 3.8551 4.1363 4.1363 4.2896 4.2896 4.3731 4.3731 5.6414 5.6414 5.7560 5.7560 6.4528 6.4528 6.6413 6.6413 6.7453 6.7453 7.1471 7.1471 7.3200 7.3200 12.1039 12.1039 12.3378 12.3378 12.6740 12.6740 12.7757 12.7757 17.6506 17.6506 k = 0.0000 0.3852 0.1283 ( 3096 PWs) bands (ev): -3.1520 -3.1520 -3.1057 -3.1057 2.6650 2.6650 2.9271 2.9271 3.3861 3.3861 3.8460 3.8460 4.1349 4.1349 4.2783 4.2783 4.3719 4.3719 5.6658 5.6658 5.7889 5.7889 6.4561 6.4561 6.6424 6.6424 6.7465 6.7465 7.2049 7.2049 7.3628 7.3628 11.9775 11.9775 12.2392 12.2392 12.6478 12.6478 12.7191 12.7191 17.7425 17.7425 k = 0.0000 0.3852 0.1381 ( 3090 PWs) bands (ev): -3.1514 -3.1514 -3.1044 -3.1044 2.6593 2.6593 2.9101 2.9101 3.3742 3.3742 3.8373 3.8373 4.1334 4.1334 4.2685 4.2685 4.3711 4.3711 5.6863 5.6863 5.8205 5.8205 6.4592 6.4592 6.6434 6.6434 6.7475 6.7475 7.2642 7.2642 7.4076 7.4076 11.8499 11.8499 12.1248 12.1248 12.6306 12.6306 12.6867 12.6867 17.7777 17.7777 k = 0.0000 0.3852 0.1480 ( 3086 PWs) bands (ev): -3.1508 -3.1508 -3.1031 -3.1031 2.6538 2.6538 2.8936 2.8936 3.3640 3.3640 3.8291 3.8291 4.1316 4.1316 4.2602 4.2602 4.3703 4.3703 5.7034 5.7034 5.8500 5.8500 6.4619 6.4619 6.6442 6.6442 6.7484 6.7484 7.3236 7.3236 7.4536 7.4536 11.7262 11.7262 12.0060 12.0060 12.6191 12.6191 12.6682 12.6682 17.7942 17.7942 k = 0.0000 0.3852 0.1578 ( 3084 PWs) bands (ev): -3.1503 -3.1503 -3.1020 -3.1020 2.6487 2.6487 2.8780 2.8780 3.3553 3.3553 3.8216 3.8216 4.1298 4.1298 4.2532 4.2532 4.3697 4.3697 5.7177 5.7177 5.8766 5.8766 6.4644 6.4644 6.6448 6.6448 6.7491 6.7491 7.3816 7.3816 7.4995 7.4995 11.6098 11.6098 11.8904 11.8904 12.6113 12.6113 12.6572 12.6572 17.8042 17.8042 k = 0.0000 0.3852 0.1677 ( 3090 PWs) bands (ev): -3.1497 -3.1497 -3.1009 -3.1009 2.6440 2.6440 2.8636 2.8636 3.3481 3.3481 3.8149 3.8149 4.1279 4.1279 4.2475 4.2475 4.3691 4.3691 5.7294 5.7294 5.8999 5.8999 6.4666 6.4666 6.6453 6.6453 6.7496 6.7496 7.4367 7.4367 7.5440 7.5440 11.5034 11.5034 11.7828 11.7828 12.6059 12.6059 12.6503 12.6503 17.8112 17.8112 k = 0.0000 0.3852 0.1776 ( 3098 PWs) bands (ev): -3.1493 -3.1493 -3.1000 -3.1000 2.6398 2.6398 2.8509 2.8509 3.3422 3.3422 3.8089 3.8089 4.1261 4.1261 4.2429 4.2429 4.3687 4.3687 5.7389 5.7389 5.9198 5.9198 6.4684 6.4684 6.6456 6.6456 6.7500 6.7500 7.4871 7.4871 7.5856 7.5856 11.4091 11.4091 11.6866 11.6866 12.6021 12.6021 12.6458 12.6458 17.8164 17.8164 k = 0.0000 0.3852 0.1874 ( 3110 PWs) bands (ev): -3.1489 -3.1489 -3.0992 -3.0992 2.6363 2.6363 2.8401 2.8401 3.3375 3.3375 3.8039 3.8039 4.1246 4.1246 4.2394 4.2394 4.3683 4.3683 5.7463 5.7463 5.9360 5.9360 6.4699 6.4699 6.6459 6.6459 6.7502 6.7502 7.5313 7.5313 7.6225 7.6225 11.3288 11.3288 11.6043 11.6043 12.5995 12.5995 12.6429 12.6429 17.8203 17.8203 k = 0.0000 0.3852 0.1973 ( 3114 PWs) bands (ev): -3.1486 -3.1486 -3.0986 -3.0986 2.6335 2.6335 2.8314 2.8314 3.3339 3.3339 3.8000 3.8000 4.1233 4.1233 4.2367 4.2367 4.3681 4.3681 5.7520 5.7520 5.9486 5.9486 6.4711 6.4711 6.6461 6.6461 6.7505 6.7505 7.5677 7.5677 7.6533 7.6533 11.2643 11.2643 11.5380 11.5380 12.5978 12.5978 12.6411 12.6411 17.8233 17.8233 k = 0.0000 0.3852 0.2072 ( 3110 PWs) bands (ev): -3.1484 -3.1484 -3.0982 -3.0982 2.6314 2.6314 2.8251 2.8251 3.3315 3.3315 3.7972 3.7972 4.1224 4.1224 4.2350 4.2350 4.3679 4.3679 5.7560 5.7560 5.9575 5.9575 6.4720 6.4720 6.6463 6.6463 6.7507 6.7507 7.5948 7.5948 7.6764 7.6764 11.2170 11.2170 11.4893 11.4893 12.5967 12.5967 12.6399 12.6399 17.8254 17.8254 k = 0.0000 0.3852 0.2170 ( 3108 PWs) bands (ev): -3.1483 -3.1483 -3.0979 -3.0979 2.6302 2.6302 2.8213 2.8213 3.3300 3.3300 3.7955 3.7955 4.1218 4.1218 4.2339 4.2339 4.3678 4.3678 5.7583 5.7583 5.9629 5.9629 6.4725 6.4725 6.6464 6.6464 6.7508 6.7508 7.6115 7.6115 7.6908 7.6908 11.1881 11.1881 11.4596 11.4596 12.5960 12.5960 12.6393 12.6393 17.8266 17.8266 k = 0.0000 0.3852 0.2269 ( 3108 PWs) bands (ev): -3.1482 -3.1482 -3.0978 -3.0978 2.6297 2.6297 2.8200 2.8200 3.3295 3.3295 3.7949 3.7949 4.1216 4.1216 4.2336 4.2336 4.3678 4.3678 5.7591 5.7591 5.9647 5.9647 6.4727 6.4727 6.6465 6.6465 6.7508 6.7508 7.6172 7.6172 7.6957 7.6957 11.1784 11.1784 11.4496 11.4496 12.5958 12.5958 12.6391 12.6391 17.8270 17.8270 k = 0.5000-0.0000 0.2269 ( 3104 PWs) bands (ev): -1.6218 -1.6218 -1.5674 -1.5674 2.7657 2.7657 2.9570 2.9570 3.2343 3.2343 3.5123 3.5123 3.5971 3.5971 3.8742 3.8742 5.5982 5.5982 5.9612 5.9612 6.0720 6.0720 6.2440 6.2440 6.3739 6.3739 7.1017 7.1017 8.7936 8.7936 8.8970 8.8970 10.0701 10.0701 10.1651 10.1651 11.0323 11.0323 11.2687 11.2687 14.9078 14.9078 k = 0.5000-0.0000 0.2170 ( 3100 PWs) bands (ev): -1.6218 -1.6218 -1.5674 -1.5674 2.7653 2.7653 2.9558 2.9558 3.2349 3.2349 3.5126 3.5126 3.5980 3.5980 3.8765 3.8765 5.5976 5.5976 5.9612 5.9612 6.0720 6.0720 6.2437 6.2437 6.3740 6.3740 7.1013 7.1013 8.7874 8.7874 8.8909 8.8909 10.0698 10.0698 10.1645 10.1645 11.0416 11.0416 11.2777 11.2777 14.9062 14.9062 k = 0.5000-0.0000 0.2072 ( 3096 PWs) bands (ev): -1.6219 -1.6219 -1.5677 -1.5677 2.7640 2.7640 2.9525 2.9525 3.2366 3.2366 3.5135 3.5135 3.6006 3.6006 3.8831 3.8831 5.5959 5.5959 5.9612 5.9612 6.0719 6.0719 6.2429 6.2429 6.3742 6.3742 7.1001 7.1001 8.7694 8.7694 8.8728 8.8728 10.0688 10.0688 10.1629 10.1629 11.0693 11.0693 11.3044 11.3044 14.9014 14.9014 k = 0.5000-0.0000 0.1973 ( 3088 PWs) bands (ev): -1.6219 -1.6219 -1.5681 -1.5681 2.7618 2.7618 2.9470 2.9470 3.2394 3.2394 3.5150 3.5150 3.6051 3.6051 3.8940 3.8940 5.5930 5.5930 5.9612 5.9612 6.0719 6.0719 6.2415 6.2415 6.3746 6.3746 7.0982 7.0982 8.7404 8.7404 8.8437 8.8437 10.0674 10.0674 10.1604 10.1604 11.1141 11.1141 11.3476 11.3476 14.8935 14.8935 k = 0.5000-0.0000 0.1874 ( 3084 PWs) bands (ev): -1.6220 -1.6220 -1.5687 -1.5687 2.7590 2.7590 2.9396 2.9396 3.2430 3.2430 3.5171 3.5171 3.6112 3.6112 3.9089 3.9089 5.5890 5.5890 5.9611 5.9611 6.0718 6.0718 6.2395 6.2395 6.3750 6.3750 7.0955 7.0955 8.7019 8.7019 8.8051 8.8051 10.0656 10.0656 10.1572 10.1572 11.1744 11.1744 11.4058 11.4058 14.8829 14.8829 k = 0.5000-0.0000 0.1776 ( 3080 PWs) bands (ev): -1.6222 -1.6222 -1.5694 -1.5694 2.7554 2.7554 2.9306 2.9306 3.2474 3.2474 3.5196 3.5196 3.6189 3.6189 3.9276 3.9276 5.5839 5.5839 5.9610 5.9610 6.0717 6.0717 6.2370 6.2370 6.3756 6.3756 7.0919 7.0919 8.6558 8.6558 8.7584 8.7584 10.0637 10.0637 10.1537 10.1537 11.2481 11.2481 11.4771 11.4771 14.8697 14.8697 k = 0.5000-0.0000 0.1677 ( 3078 PWs) bands (ev): -1.6223 -1.6223 -1.5703 -1.5703 2.7514 2.7514 2.9204 2.9204 3.2524 3.2524 3.5224 3.5224 3.6282 3.6282 3.9497 3.9497 5.5777 5.5777 5.9609 5.9609 6.0715 6.0715 6.2339 6.2339 6.3763 6.3763 7.0875 7.0875 8.6039 8.6039 8.7056 8.7056 10.0617 10.0617 10.1499 10.1499 11.3332 11.3332 11.5595 11.5595 14.8544 14.8544 k = 0.5000-0.0000 0.1578 ( 3078 PWs) bands (ev): -1.6224 -1.6224 -1.5712 -1.5712 2.7469 2.7469 2.9092 2.9092 3.2576 3.2576 3.5255 3.5255 3.6392 3.6392 3.9748 3.9748 5.5705 5.5705 5.9608 5.9608 6.0714 6.0714 6.2301 6.2301 6.3770 6.3770 7.0824 7.0824 8.5479 8.5479 8.6482 8.6482 10.0597 10.0597 10.1461 10.1461 11.4279 11.4279 11.6509 11.6509 14.8373 14.8373 k = 0.5000-0.0000 0.1480 ( 3074 PWs) bands (ev): -1.6226 -1.6226 -1.5723 -1.5723 2.7422 2.7422 2.8975 2.8975 3.2630 3.2630 3.5286 3.5286 3.6518 3.6518 4.0024 4.0024 5.5623 5.5623 5.9607 5.9607 6.0712 6.0712 6.2258 6.2258 6.3779 6.3779 7.0764 7.0764 8.4896 8.4896 8.5880 8.5880 10.0578 10.0578 10.1423 10.1423 11.5303 11.5303 11.7498 11.7498 14.8188 14.8188 k = 0.5000-0.0000 0.1381 ( 3078 PWs) bands (ev): -1.6228 -1.6228 -1.5735 -1.5735 2.7372 2.7372 2.8854 2.8854 3.2683 3.2683 3.5317 3.5317 3.6659 3.6659 4.0320 4.0320 5.5531 5.5531 5.9606 5.9606 6.0710 6.0710 6.2208 6.2208 6.3787 6.3787 7.0696 7.0696 8.4304 8.4304 8.5264 8.5264 10.0560 10.0560 10.1386 10.1386 11.6388 11.6388 11.8542 11.8542 14.7992 14.7992 k = 0.5000-0.0000 0.1283 ( 3072 PWs) bands (ev): -1.6230 -1.6230 -1.5747 -1.5747 2.7322 2.7322 2.8734 2.8734 3.2734 3.2734 3.5346 3.5346 3.6815 3.6815 4.0631 4.0631 5.5432 5.5432 5.9605 5.9605 6.0709 6.0709 6.2153 6.2153 6.3798 6.3798 7.0621 7.0621 8.3716 8.3716 8.4646 8.4646 10.0543 10.0543 10.1350 10.1350 11.7519 11.7519 11.9627 11.9627 14.7790 14.7790 k = 0.5000-0.0000 0.1184 ( 3072 PWs) bands (ev): -1.6232 -1.6232 -1.5759 -1.5759 2.7271 2.7271 2.8615 2.8615 3.2782 3.2782 3.5374 3.5374 3.6984 3.6984 4.0951 4.0951 5.5326 5.5326 5.9604 5.9604 6.0707 6.0707 6.2092 6.2092 6.3808 6.3808 7.0539 7.0539 8.3142 8.3142 8.4037 8.4037 10.0527 10.0527 10.1315 10.1315 11.8681 11.8681 12.0738 12.0738 14.7585 14.7585 k = 0.5000-0.0000 0.1085 ( 3072 PWs) bands (ev): -1.6234 -1.6234 -1.5772 -1.5772 2.7221 2.7221 2.8501 2.8501 3.2826 3.2826 3.5398 3.5398 3.7162 3.7162 4.1276 4.1276 5.5214 5.5214 5.9602 5.9602 6.0705 6.0705 6.2026 6.2026 6.3819 6.3819 7.0452 7.0452 8.2593 8.2593 8.3448 8.3448 10.0512 10.0512 10.1282 10.1282 11.9862 11.9862 12.1860 12.1860 14.7380 14.7380 k = 0.5000-0.0000 0.0987 ( 3076 PWs) bands (ev): -1.6236 -1.6236 -1.5784 -1.5784 2.7172 2.7172 2.8394 2.8394 3.2866 3.2866 3.5420 3.5420 3.7347 3.7347 4.1600 4.1600 5.5099 5.5099 5.9601 5.9601 6.0702 6.0702 6.1955 6.1955 6.3829 6.3829 7.0359 7.0359 8.2077 8.2077 8.2886 8.2886 10.0498 10.0498 10.1250 10.1250 12.1047 12.1047 12.2979 12.2979 14.7177 14.7177 k = 0.5000-0.0000 0.0888 ( 3076 PWs) bands (ev): -1.6238 -1.6238 -1.5796 -1.5796 2.7126 2.7126 2.8293 2.8293 3.2902 3.2902 3.5439 3.5439 3.7535 3.7535 4.1917 4.1917 5.4982 5.4982 5.9599 5.9599 6.0701 6.0701 6.1882 6.1882 6.3840 6.3840 7.0264 7.0264 8.1598 8.1598 8.2359 8.2359 10.0486 10.0486 10.1221 10.1221 12.2221 12.2221 12.4080 12.4080 14.6978 14.6978 k = 0.5000-0.0000 0.0789 ( 3076 PWs) bands (ev): -1.6240 -1.6240 -1.5808 -1.5808 2.7082 2.7082 2.8202 2.8202 3.2933 3.2933 3.5456 3.5456 3.7720 3.7720 4.2221 4.2221 5.4867 5.4867 5.9599 5.9599 6.0699 6.0699 6.1806 6.1806 6.3850 6.3850 7.0169 7.0169 8.1163 8.1163 8.1872 8.1872 10.0474 10.0474 10.1194 10.1194 12.3368 12.3368 12.5146 12.5146 14.6787 14.6787 k = 0.5000-0.0000 0.0691 ( 3076 PWs) bands (ev): -1.6241 -1.6241 -1.5818 -1.5818 2.7042 2.7042 2.8121 2.8121 3.2960 3.2960 3.5471 3.5471 3.7899 3.7899 4.2508 4.2508 5.4755 5.4755 5.9598 5.9598 6.0698 6.0698 6.1731 6.1731 6.3860 6.3860 7.0075 7.0075 8.0774 8.0774 8.1431 8.1431 10.0464 10.0464 10.1170 10.1170 12.4471 12.4471 12.6162 12.6162 14.6603 14.6603 k = 0.5000-0.0000 0.0592 ( 3072 PWs) bands (ev): -1.6243 -1.6243 -1.5828 -1.5828 2.7005 2.7005 2.8049 2.8049 3.2983 3.2983 3.5483 3.5483 3.8066 3.8066 4.2770 4.2770 5.4650 5.4650 5.9597 5.9597 6.0696 6.0696 6.1657 6.1657 6.3870 6.3870 6.9987 6.9987 8.0435 8.0435 8.1042 8.1042 10.0455 10.0455 10.1149 10.1149 12.5509 12.5509 12.7108 12.7108 14.6431 14.6431 k = 0.5000-0.0000 0.0493 ( 3072 PWs) bands (ev): -1.6244 -1.6244 -1.5836 -1.5836 2.6973 2.6973 2.7989 2.7989 3.3001 3.3001 3.5492 3.5492 3.8218 3.8218 4.3004 4.3004 5.4555 5.4555 5.9596 5.9596 6.0695 6.0695 6.1589 6.1589 6.3878 6.3878 6.9906 6.9906 8.0147 8.0147 8.0706 8.0706 10.0447 10.0447 10.1130 10.1130 12.6459 12.6459 12.7964 12.7964 14.6272 14.6272 k = 0.5000-0.0000 0.0395 ( 3066 PWs) bands (ev): -1.6245 -1.6245 -1.5843 -1.5843 2.6946 2.6946 2.7939 2.7939 3.3017 3.3017 3.5500 3.5500 3.8348 3.8348 4.3203 4.3203 5.4472 5.4472 5.9595 5.9595 6.0694 6.0694 6.1528 6.1528 6.3885 6.3885 6.9836 6.9836 7.9911 7.9911 8.0428 8.0428 10.0441 10.0441 10.1114 10.1114 12.7294 12.7294 12.8707 12.8707 14.6129 14.6129 k = 0.5000-0.0000 0.0296 ( 3064 PWs) bands (ev): -1.6246 -1.6246 -1.5849 -1.5849 2.6925 2.6925 2.7901 2.7901 3.3028 3.3028 3.5506 3.5506 3.8455 3.8455 4.3363 4.3363 5.4405 5.4405 5.9595 5.9595 6.0694 6.0694 6.1477 6.1477 6.3891 6.3891 6.9778 6.9778 7.9727 7.9727 8.0209 8.0209 10.0436 10.0436 10.1102 10.1102 12.7986 12.7986 12.9316 12.9316 14.6009 14.6009 k = 0.5000-0.0000 0.0197 ( 3070 PWs) bands (ev): -1.6247 -1.6247 -1.5853 -1.5853 2.6909 2.6909 2.7873 2.7873 3.3036 3.3036 3.5510 3.5510 3.8533 3.8533 4.3480 4.3480 5.4354 5.4354 5.9594 5.9594 6.0693 6.0693 6.1438 6.1438 6.3895 6.3895 6.9734 6.9734 7.9596 7.9596 8.0051 8.0051 10.0432 10.0432 10.1093 10.1093 12.8506 12.8506 12.9770 12.9770 14.5916 14.5916 k = 0.5000-0.0000 0.0099 ( 3066 PWs) bands (ev): -1.6247 -1.6247 -1.5856 -1.5856 2.6899 2.6899 2.7856 2.7856 3.3041 3.3041 3.5513 3.5513 3.8582 3.8582 4.3552 4.3552 5.4324 5.4324 5.9594 5.9594 6.0693 6.0693 6.1414 6.1414 6.3897 6.3897 6.9708 6.9708 7.9517 7.9517 7.9957 7.9957 10.0430 10.0430 10.1088 10.1088 12.8830 12.8830 13.0050 13.0050 14.5857 14.5857 k = 0.5000-0.0000-0.0000 ( 3072 PWs) bands (ev): -1.6247 -1.6247 -1.5857 -1.5857 2.6896 2.6896 2.7851 2.7851 3.3042 3.3042 3.5513 3.5513 3.8598 3.8598 4.3576 4.3576 5.4313 5.4313 5.9594 5.9594 6.0693 6.0693 6.1405 6.1405 6.3898 6.3898 6.9699 6.9699 7.9491 7.9491 7.9925 7.9925 10.0429 10.0429 10.1086 10.1086 12.8940 12.8940 13.0144 13.0144 14.5837 14.5837 k = 0.5000 0.3852-0.0000 ( 3060 PWs) bands (ev): -1.1981 -1.1981 -1.1682 -1.1682 2.1428 2.1428 2.8094 2.8094 3.7289 3.7289 3.8043 3.8043 4.2432 4.2432 4.6973 4.6973 5.2631 5.2631 5.9125 5.9125 6.1769 6.1769 6.4030 6.4030 6.7041 6.7041 7.1166 7.1166 7.4751 7.4751 7.5165 7.5165 7.6748 7.6748 7.7487 7.7487 11.9162 11.9162 11.9312 11.9312 12.3264 12.3264 k = 0.5000 0.3852 0.0099 ( 3060 PWs) bands (ev): -1.1981 -1.1981 -1.1682 -1.1682 2.1430 2.1430 2.8099 2.8099 3.7290 3.7290 3.8046 3.8046 4.2434 4.2434 4.6970 4.6970 5.2620 5.2620 5.9125 5.9125 6.1758 6.1758 6.4029 6.4029 6.7013 6.7013 7.1157 7.1157 7.4772 7.4772 7.5165 7.5165 7.6751 7.6751 7.7482 7.7482 11.9208 11.9208 11.9361 11.9361 12.3300 12.3300 k = 0.5000 0.3852 0.0197 ( 3064 PWs) bands (ev): -1.1982 -1.1982 -1.1682 -1.1682 2.1437 2.1437 2.8116 2.8116 3.7294 3.7294 3.8055 3.8055 4.2440 4.2440 4.6962 4.6962 5.2587 5.2587 5.9124 5.9124 6.1727 6.1727 6.4028 6.4028 6.6930 6.6930 7.1132 7.1132 7.4824 7.4824 7.5169 7.5169 7.6757 7.6757 7.7469 7.7469 11.9345 11.9345 11.9509 11.9509 12.3409 12.3409 k = 0.5000 0.3852 0.0296 ( 3072 PWs) bands (ev): -1.1983 -1.1983 -1.1682 -1.1682 2.1448 2.1448 2.8142 2.8142 3.7299 3.7299 3.8070 3.8070 4.2450 4.2450 4.6948 4.6948 5.2533 5.2533 5.9124 5.9124 6.1676 6.1676 6.4027 6.4027 6.6800 6.6800 7.1093 7.1093 7.4877 7.4877 7.5195 7.5195 7.6769 7.6769 7.7454 7.7454 11.9573 11.9573 11.9754 11.9754 12.3589 12.3589 k = 0.5000 0.3852 0.0395 ( 3080 PWs) bands (ev): -1.1985 -1.1985 -1.1683 -1.1683 2.1463 2.1463 2.8179 2.8179 3.7307 3.7307 3.8091 3.8091 4.2463 4.2463 4.6928 4.6928 5.2458 5.2458 5.9123 5.9123 6.1607 6.1607 6.4024 6.4024 6.6630 6.6630 7.1042 7.1042 7.4879 7.4879 7.5272 7.5272 7.6787 7.6787 7.7451 7.7451 11.9891 11.9891 12.0093 12.0093 12.3841 12.3841 k = 0.5000 0.3852 0.0493 ( 3080 PWs) bands (ev): -1.1987 -1.1987 -1.1684 -1.1684 2.1481 2.1481 2.8225 2.8225 3.7316 3.7316 3.8118 3.8118 4.2480 4.2480 4.6904 4.6904 5.2363 5.2363 5.9121 5.9121 6.1524 6.1524 6.4021 6.4021 6.6430 6.6430 7.0983 7.0983 7.4815 7.4815 7.5388 7.5388 7.6814 7.6814 7.7475 7.7475 12.0294 12.0294 12.0522 12.0522 12.4164 12.4164 k = 0.5000 0.3852 0.0592 ( 3088 PWs) bands (ev): -1.1990 -1.1990 -1.1685 -1.1685 2.1504 2.1504 2.8281 2.8281 3.7326 3.7326 3.8150 3.8150 4.2501 4.2501 4.6875 4.6875 5.2250 5.2250 5.9118 5.9118 6.1427 6.1427 6.4016 6.4016 6.6210 6.6210 7.0918 7.0918 7.4702 7.4702 7.5497 7.5497 7.6858 7.6858 7.7536 7.7536 12.0782 12.0782 12.1037 12.1037 12.4557 12.4557 k = 0.5000 0.3852 0.0691 ( 3096 PWs) bands (ev): -1.1992 -1.1992 -1.1685 -1.1685 2.1529 2.1529 2.8345 2.8345 3.7336 3.7336 3.8187 3.8187 4.2524 4.2524 4.6841 4.6841 5.2120 5.2120 5.9113 5.9113 6.1320 6.1320 6.4008 6.4008 6.5981 6.5981 7.0850 7.0850 7.4551 7.4551 7.5559 7.5559 7.6940 7.6940 7.7636 7.7636 12.1348 12.1348 12.1634 12.1634 12.5021 12.5021 k = 0.5000 0.3852 0.0789 ( 3096 PWs) bands (ev): -1.1996 -1.1996 -1.1686 -1.1686 2.1558 2.1558 2.8416 2.8416 3.7348 3.7348 3.8230 3.8230 4.2550 4.2550 4.6803 4.6803 5.1975 5.1975 5.9107 5.9107 6.1208 6.1208 6.3998 6.3998 6.5749 6.5749 7.0782 7.0782 7.4370 7.4370 7.5550 7.5550 7.7076 7.7076 7.7768 7.7768 12.1990 12.1990 12.2307 12.2307 12.5552 12.5552 k = 0.5000 0.3852 0.0888 ( 3096 PWs) bands (ev): -1.1999 -1.1999 -1.1687 -1.1687 2.1588 2.1588 2.8493 2.8493 3.7360 3.7360 3.8276 3.8276 4.2579 4.2579 4.6763 4.6763 5.1817 5.1817 5.9098 5.9098 6.1093 6.1093 6.3984 6.3984 6.5523 6.5523 7.0716 7.0716 7.4167 7.4167 7.5475 7.5475 7.7261 7.7261 7.7923 7.7923 12.2701 12.2701 12.3050 12.3050 12.6151 12.6151 k = 0.5000 0.3852 0.0987 ( 3096 PWs) bands (ev): -1.2002 -1.2002 -1.1688 -1.1688 2.1620 2.1620 2.8576 2.8576 3.7371 3.7371 3.8325 3.8325 4.2608 4.2608 4.6719 4.6719 5.1649 5.1649 5.9085 5.9085 6.0978 6.0978 6.3964 6.3964 6.5309 6.5309 7.0653 7.0653 7.3948 7.3948 7.5350 7.5350 7.7478 7.7478 7.8092 7.8092 12.3477 12.3477 12.3858 12.3858 12.6815 12.6815 k = 0.5000 0.3852 0.1085 ( 3100 PWs) bands (ev): -1.2006 -1.2006 -1.1690 -1.1690 2.1653 2.1653 2.8662 2.8662 3.7382 3.7382 3.8377 3.8377 4.2639 4.2639 4.6673 4.6673 5.1474 5.1474 5.9069 5.9069 6.0868 6.0868 6.3937 6.3937 6.5112 6.5112 7.0593 7.0593 7.3719 7.3719 7.5194 7.5194 7.7710 7.7710 7.8269 7.8269 12.4310 12.4310 12.4723 12.4723 12.7541 12.7541 k = 0.5000 0.3852 0.1184 ( 3104 PWs) bands (ev): -1.2009 -1.2009 -1.1691 -1.1691 2.1687 2.1687 2.8749 2.8749 3.7393 3.7393 3.8430 3.8430 4.2671 4.2671 4.6627 4.6627 5.1294 5.1294 5.9048 5.9048 6.0764 6.0764 6.3902 6.3902 6.4938 6.4938 7.0537 7.0537 7.3486 7.3486 7.5021 7.5021 7.7945 7.7945 7.8446 7.8446 12.5194 12.5194 12.5638 12.5638 12.8328 12.8328 k = 0.5000 0.3852 0.1283 ( 3100 PWs) bands (ev): -1.2013 -1.2013 -1.1692 -1.1692 2.1721 2.1721 2.8838 2.8838 3.7403 3.7403 3.8483 3.8483 4.2702 4.2702 4.6580 4.6580 5.1115 5.1115 5.9022 5.9022 6.0669 6.0669 6.3857 6.3857 6.4789 6.4789 7.0487 7.0487 7.3254 7.3254 7.4841 7.4841 7.8173 7.8173 7.8620 7.8620 12.6121 12.6121 12.6594 12.6594 12.9169 12.9169 k = 0.5000 0.3852 0.1381 ( 3100 PWs) bands (ev): -1.2016 -1.2016 -1.1693 -1.1693 2.1754 2.1754 2.8925 2.8925 3.7412 3.7412 3.8536 3.8536 4.2733 4.2733 4.6533 4.6533 5.0938 5.0938 5.8993 5.8993 6.0585 6.0585 6.3801 6.3801 6.4669 6.4669 7.0441 7.0441 7.3029 7.3029 7.4660 7.4660 7.8388 7.8388 7.8787 7.8787 12.7081 12.7081 12.7582 12.7582 13.0061 13.0061 k = 0.5000 0.3852 0.1480 ( 3100 PWs) bands (ev): -1.2020 -1.2020 -1.1694 -1.1694 2.1785 2.1785 2.9009 2.9009 3.7420 3.7420 3.8586 3.8586 4.2762 4.2762 4.6488 4.6488 5.0769 5.0769 5.8959 5.8959 6.0513 6.0513 6.3735 6.3735 6.4575 6.4575 7.0400 7.0400 7.2816 7.2816 7.4486 7.4486 7.8587 7.8587 7.8944 7.8944 12.8063 12.8063 12.8590 12.8590 13.0995 13.0995 k = 0.5000 0.3852 0.1578 ( 3100 PWs) bands (ev): -1.2023 -1.2023 -1.1695 -1.1695 2.1815 2.1815 2.9089 2.9089 3.7427 3.7427 3.8633 3.8633 4.2790 4.2790 4.6445 4.6445 5.0609 5.0609 5.8924 5.8924 6.0453 6.0453 6.3665 6.3665 6.4506 6.4506 7.0365 7.0365 7.2617 7.2617 7.4322 7.4322 7.8766 7.8766 7.9089 7.9089 12.9053 12.9053 12.9604 12.9604 13.1962 13.1962 k = 0.5000 0.3852 0.1677 ( 3108 PWs) bands (ev): -1.2025 -1.2025 -1.1696 -1.1696 2.1841 2.1841 2.9162 2.9162 3.7434 3.7434 3.8676 3.8676 4.2815 4.2815 4.6406 4.6406 5.0462 5.0462 5.8887 5.8887 6.0403 6.0403 6.3594 6.3594 6.4455 6.4455 7.0334 7.0334 7.2437 7.2437 7.4173 7.4173 7.8922 7.8922 7.9219 7.9219 13.0033 13.0033 13.0606 13.0606 13.2945 13.2945 k = 0.5000 0.3852 0.1776 ( 3100 PWs) bands (ev): -1.2028 -1.2028 -1.1696 -1.1696 2.1865 2.1865 2.9227 2.9227 3.7440 3.7440 3.8715 3.8715 4.2838 4.2838 4.6371 4.6371 5.0332 5.0332 5.8853 5.8853 6.0365 6.0365 6.3528 6.3528 6.4420 6.4420 7.0308 7.0308 7.2279 7.2279 7.4041 7.4041 7.9056 7.9056 7.9332 7.9332 13.0979 13.0979 13.1572 13.1572 13.3924 13.3924 k = 0.5000 0.3852 0.1874 ( 3100 PWs) bands (ev): -1.2030 -1.2030 -1.1697 -1.1697 2.1885 2.1885 2.9283 2.9283 3.7444 3.7444 3.8748 3.8748 4.2857 4.2857 4.6341 4.6341 5.0222 5.0222 5.8821 5.8821 6.0336 6.0336 6.3470 6.3470 6.4395 6.4395 7.0287 7.0287 7.2146 7.2146 7.3930 7.3930 7.9165 7.9165 7.9428 7.9428 13.1858 13.1858 13.2470 13.2470 13.4867 13.4867 k = 0.5000 0.3852 0.1973 ( 3108 PWs) bands (ev): -1.2032 -1.2032 -1.1698 -1.1698 2.1901 2.1901 2.9328 2.9328 3.7447 3.7447 3.8774 3.8774 4.2872 4.2872 4.6317 4.6317 5.0133 5.0133 5.8795 5.8795 6.0314 6.0314 6.3423 6.3423 6.4378 6.4378 7.0270 7.0270 7.2040 7.2040 7.3841 7.3841 7.9251 7.9251 7.9504 7.9504 13.2630 13.2630 13.3259 13.3259 13.5727 13.5727 k = 0.5000 0.3852 0.2072 ( 3104 PWs) bands (ev): -1.2033 -1.2033 -1.1698 -1.1698 2.1913 2.1913 2.9361 2.9361 3.7450 3.7450 3.8793 3.8793 4.2884 4.2884 4.6299 4.6299 5.0069 5.0069 5.8775 5.8775 6.0300 6.0300 6.3388 6.3388 6.4367 6.4367 7.0258 7.0258 7.1963 7.1963 7.3777 7.3777 7.9312 7.9312 7.9559 7.9559 13.3243 13.3243 13.3887 13.3887 13.6439 13.6439 k = 0.5000 0.3852 0.2170 ( 3104 PWs) bands (ev): -1.2034 -1.2034 -1.1698 -1.1698 2.1920 2.1920 2.9381 2.9381 3.7452 3.7452 3.8805 3.8805 4.2891 4.2891 4.6289 4.6289 5.0029 5.0029 5.8763 5.8763 6.0292 6.0292 6.3367 6.3367 6.4360 6.4360 7.0251 7.0251 7.1916 7.1916 7.3738 7.3738 7.9348 7.9348 7.9592 7.9592 13.3642 13.3642 13.4295 13.4295 13.6919 13.6919 k = 0.5000 0.3852 0.2269 ( 3104 PWs) bands (ev): -1.2034 -1.2034 -1.1698 -1.1698 2.1922 2.1922 2.9387 2.9387 3.7452 3.7452 3.8808 3.8808 4.2893 4.2893 4.6285 4.6285 5.0016 5.0016 5.8758 5.8758 6.0289 6.0289 6.3360 6.3360 6.4358 6.4358 7.0249 7.0249 7.1901 7.1901 7.3724 7.3724 7.9360 7.9360 7.9604 7.9604 13.3781 13.3781 13.4438 13.4438 13.7091 13.7091 Writing output data file CuAgTe2.save init_run : 0.47s CPU 1.35s WALL ( 1 calls) electrons : 319.03s CPU 336.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.49s WALL ( 1 calls) potinit : 0.05s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 319.03s CPU 336.61s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 464 calls) cegterg : 296.59s CPU 312.04s WALL ( 928 calls) Called by sum_band: Called by *egterg: h_psi : 160.72s CPU 174.97s WALL ( 14345 calls) s_psi : 9.46s CPU 9.90s WALL ( 14345 calls) g_psi : 0.12s CPU 0.21s WALL ( 12953 calls) cdiaghg : 89.63s CPU 88.39s WALL ( 13417 calls) cegterg:over : 25.55s CPU 26.26s WALL ( 12953 calls) cegterg:upda : 1.09s CPU 3.10s WALL ( 12953 calls) cegterg:last : 1.24s CPU 2.13s WALL ( 2381 calls) Called by h_psi: h_psi:vloc : 140.50s CPU 152.20s WALL ( 14345 calls) h_psi:vnl : 20.18s CPU 22.63s WALL ( 14345 calls) add_vuspsi : 9.03s CPU 10.15s WALL ( 14345 calls) General routines calbec : 11.13s CPU 12.45s WALL ( 14345 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 138.95s CPU 149.86s WALL ( 1251756 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.01s CPU 0.17s WALL ( 928 calls) Parallel routines fft_scatter : 123.70s CPU 129.25s WALL ( 1251779 calls) PWSCF : 6m20.04s CPU 6m49.51s WALL This run was terminated on: 18: 8:52 3Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=