Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:54: 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CoAs2.save/ file Co.rel-pbe-n-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 33 25 7 1211 817 133 Max 34 26 8 1218 832 140 Sum 1075 825 245 38833 26371 4379 bravais-lattice index = 14 lattice parameter (alat) = 5.9092 a.u. unit-cell volume = 625.9819 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.909173 celldm(2)= 1.615286 celldm(3)= 1.878158 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 1.615286 0.000000 ) a(3) = ( 0.000000 0.000000 1.878158 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.619085 -0.000000 ) b(3) = ( 0.000000 0.000000 0.532437 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Co read from file: /home/autes/Pseudo/Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6e843fd57bb34a371311d5dc8eddf880 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1193 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 As 5.00 74.92160 As( 1.00) Co 9.00 58.93320 Co( 1.00) 8 Sym. Ops., with inversion, found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.8076431 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9390790 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.8076431 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9390790 ) isym = 4 180 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 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.8076431 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9390790 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.8076431 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9390790 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 Cartesian axes number of k points= 452 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 2) = ( 0.0098039 -0.0000000 -0.0000000), wk = 0.0022124 k( 3) = ( 0.0196078 -0.0000000 -0.0000000), wk = 0.0022124 k( 4) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0022124 k( 5) = ( 0.0392157 -0.0000000 -0.0000000), wk = 0.0022124 k( 6) = ( 0.0490196 -0.0000000 -0.0000000), wk = 0.0022124 k( 7) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0022124 k( 8) = ( 0.0686275 -0.0000000 -0.0000000), wk = 0.0022124 k( 9) = ( 0.0784314 -0.0000000 -0.0000000), wk = 0.0022124 k( 10) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0022124 k( 11) = ( 0.0980392 -0.0000000 -0.0000000), wk = 0.0022124 k( 12) = ( 0.1078431 -0.0000000 -0.0000000), wk = 0.0022124 k( 13) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0022124 k( 14) = ( 0.1274510 -0.0000000 -0.0000000), wk = 0.0022124 k( 15) = ( 0.1372549 -0.0000000 -0.0000000), wk = 0.0022124 k( 16) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0022124 k( 17) = ( 0.1568627 -0.0000000 -0.0000000), wk = 0.0022124 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0022124 k( 19) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0022124 k( 20) = ( 0.1862745 -0.0000000 -0.0000000), wk = 0.0022124 k( 21) = ( 0.1960784 -0.0000000 -0.0000000), wk = 0.0022124 k( 22) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0022124 k( 23) = ( 0.2156863 -0.0000000 -0.0000000), wk = 0.0022124 k( 24) = ( 0.2254902 -0.0000000 -0.0000000), wk = 0.0022124 k( 25) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0022124 k( 26) = ( 0.2450980 -0.0000000 -0.0000000), wk = 0.0022124 k( 27) = ( 0.2549020 -0.0000000 -0.0000000), wk = 0.0022124 k( 28) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0022124 k( 29) = ( 0.2745098 -0.0000000 -0.0000000), wk = 0.0022124 k( 30) = ( 0.2843137 -0.0000000 -0.0000000), wk = 0.0022124 k( 31) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0022124 k( 32) = ( 0.3039216 -0.0000000 -0.0000000), wk = 0.0022124 k( 33) = ( 0.3137255 -0.0000000 -0.0000000), wk = 0.0022124 k( 34) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0022124 k( 35) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0022124 k( 36) = ( 0.3431373 -0.0000000 -0.0000000), wk = 0.0022124 k( 37) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0022124 k( 38) = ( 0.3627451 -0.0000000 -0.0000000), wk = 0.0022124 k( 39) = ( 0.3725490 -0.0000000 -0.0000000), wk = 0.0022124 k( 40) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0022124 k( 41) = ( 0.3921569 -0.0000000 -0.0000000), wk = 0.0022124 k( 42) = ( 0.4019608 -0.0000000 -0.0000000), wk = 0.0022124 k( 43) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0022124 k( 44) = ( 0.4215686 -0.0000000 -0.0000000), wk = 0.0022124 k( 45) = ( 0.4313726 -0.0000000 -0.0000000), wk = 0.0022124 k( 46) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0022124 k( 47) = ( 0.4509804 -0.0000000 -0.0000000), wk = 0.0022124 k( 48) = ( 0.4607843 -0.0000000 -0.0000000), wk = 0.0022124 k( 49) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0022124 k( 50) = ( 0.4803922 -0.0000000 -0.0000000), wk = 0.0022124 k( 51) = ( 0.4901961 -0.0000000 -0.0000000), wk = 0.0022124 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022124 k( 53) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022124 k( 54) = ( 0.5000000 0.0096732 -0.0000000), wk = 0.0022124 k( 55) = ( 0.5000000 0.0193464 -0.0000000), wk = 0.0022124 k( 56) = ( 0.5000000 0.0290196 -0.0000000), wk = 0.0022124 k( 57) = ( 0.5000000 0.0386928 -0.0000000), wk = 0.0022124 k( 58) = ( 0.5000000 0.0483660 -0.0000000), wk = 0.0022124 k( 59) = ( 0.5000000 0.0580392 -0.0000000), wk = 0.0022124 k( 60) = ( 0.5000000 0.0677125 -0.0000000), wk = 0.0022124 k( 61) = ( 0.5000000 0.0773857 -0.0000000), wk = 0.0022124 k( 62) = ( 0.5000000 0.0870589 -0.0000000), wk = 0.0022124 k( 63) = ( 0.5000000 0.0967321 -0.0000000), wk = 0.0022124 k( 64) = ( 0.5000000 0.1064053 -0.0000000), wk = 0.0022124 k( 65) = ( 0.5000000 0.1160785 -0.0000000), wk = 0.0022124 k( 66) = ( 0.5000000 0.1257517 -0.0000000), wk = 0.0022124 k( 67) = ( 0.5000000 0.1354249 -0.0000000), wk = 0.0022124 k( 68) = ( 0.5000000 0.1450981 -0.0000000), wk = 0.0022124 k( 69) = ( 0.5000000 0.1547713 -0.0000000), wk = 0.0022124 k( 70) = ( 0.5000000 0.1644445 -0.0000000), wk = 0.0022124 k( 71) = ( 0.5000000 0.1741177 -0.0000000), wk = 0.0022124 k( 72) = ( 0.5000000 0.1837910 -0.0000000), wk = 0.0022124 k( 73) = ( 0.5000000 0.1934642 -0.0000000), wk = 0.0022124 k( 74) = ( 0.5000000 0.2031374 -0.0000000), wk = 0.0022124 k( 75) = ( 0.5000000 0.2128106 -0.0000000), wk = 0.0022124 k( 76) = ( 0.5000000 0.2224838 -0.0000000), wk = 0.0022124 k( 77) = ( 0.5000000 0.2321570 -0.0000000), wk = 0.0022124 k( 78) = ( 0.5000000 0.2418302 -0.0000000), wk = 0.0022124 k( 79) = ( 0.5000000 0.2515034 -0.0000000), wk = 0.0022124 k( 80) = ( 0.5000000 0.2611766 -0.0000000), wk = 0.0022124 k( 81) = ( 0.5000000 0.2708498 -0.0000000), wk = 0.0022124 k( 82) = ( 0.5000000 0.2805230 -0.0000000), wk = 0.0022124 k( 83) = ( 0.5000000 0.2901962 -0.0000000), wk = 0.0022124 k( 84) = ( 0.5000000 0.2998695 -0.0000000), wk = 0.0022124 k( 85) = ( 0.5000000 0.3095427 -0.0000000), wk = 0.0022124 k( 86) = ( 0.5000000 0.3095427 -0.0000000), wk = 0.0022124 k( 87) = ( 0.4901961 0.3095427 -0.0000000), wk = 0.0022124 k( 88) = ( 0.4803922 0.3095427 -0.0000000), wk = 0.0022124 k( 89) = ( 0.4705882 0.3095427 -0.0000000), wk = 0.0022124 k( 90) = ( 0.4607843 0.3095427 -0.0000000), wk = 0.0022124 k( 91) = ( 0.4509804 0.3095427 -0.0000000), wk = 0.0022124 k( 92) = ( 0.4411765 0.3095427 -0.0000000), wk = 0.0022124 k( 93) = ( 0.4313726 0.3095427 -0.0000000), wk = 0.0022124 k( 94) = ( 0.4215686 0.3095427 -0.0000000), wk = 0.0022124 k( 95) = ( 0.4117647 0.3095427 -0.0000000), wk = 0.0022124 k( 96) = ( 0.4019608 0.3095427 -0.0000000), wk = 0.0022124 k( 97) = ( 0.3921569 0.3095427 -0.0000000), wk = 0.0022124 k( 98) = ( 0.3823529 0.3095427 -0.0000000), wk = 0.0022124 k( 99) = ( 0.3725490 0.3095427 -0.0000000), wk = 0.0022124 k( 100) = ( 0.3627451 0.3095427 -0.0000000), wk = 0.0022124 k( 101) = ( 0.3529412 0.3095427 -0.0000000), wk = 0.0022124 k( 102) = ( 0.3431373 0.3095427 -0.0000000), wk = 0.0022124 k( 103) = ( 0.3333333 0.3095427 -0.0000000), wk = 0.0022124 k( 104) = ( 0.3235294 0.3095427 -0.0000000), wk = 0.0022124 k( 105) = ( 0.3137255 0.3095427 -0.0000000), wk = 0.0022124 k( 106) = ( 0.3039216 0.3095427 -0.0000000), wk = 0.0022124 k( 107) = ( 0.2941177 0.3095427 -0.0000000), wk = 0.0022124 k( 108) = ( 0.2843137 0.3095427 -0.0000000), wk = 0.0022124 k( 109) = ( 0.2745098 0.3095427 -0.0000000), wk = 0.0022124 k( 110) = ( 0.2647059 0.3095427 -0.0000000), wk = 0.0022124 k( 111) = ( 0.2549020 0.3095427 -0.0000000), wk = 0.0022124 k( 112) = ( 0.2450980 0.3095427 -0.0000000), wk = 0.0022124 k( 113) = ( 0.2352941 0.3095427 -0.0000000), wk = 0.0022124 k( 114) = ( 0.2254902 0.3095427 -0.0000000), wk = 0.0022124 k( 115) = ( 0.2156863 0.3095427 -0.0000000), wk = 0.0022124 k( 116) = ( 0.2058823 0.3095427 -0.0000000), wk = 0.0022124 k( 117) = ( 0.1960784 0.3095427 -0.0000000), wk = 0.0022124 k( 118) = ( 0.1862745 0.3095427 -0.0000000), wk = 0.0022124 k( 119) = ( 0.1764706 0.3095427 -0.0000000), wk = 0.0022124 k( 120) = ( 0.1666667 0.3095427 -0.0000000), wk = 0.0022124 k( 121) = ( 0.1568627 0.3095427 -0.0000000), wk = 0.0022124 k( 122) = ( 0.1470588 0.3095427 -0.0000000), wk = 0.0022124 k( 123) = ( 0.1372549 0.3095427 -0.0000000), wk = 0.0022124 k( 124) = ( 0.1274510 0.3095427 -0.0000000), wk = 0.0022124 k( 125) = ( 0.1176471 0.3095427 -0.0000000), wk = 0.0022124 k( 126) = ( 0.1078431 0.3095427 -0.0000000), wk = 0.0022124 k( 127) = ( 0.0980392 0.3095427 -0.0000000), wk = 0.0022124 k( 128) = ( 0.0882353 0.3095427 -0.0000000), wk = 0.0022124 k( 129) = ( 0.0784314 0.3095427 -0.0000000), wk = 0.0022124 k( 130) = ( 0.0686275 0.3095427 -0.0000000), wk = 0.0022124 k( 131) = ( 0.0588235 0.3095427 -0.0000000), wk = 0.0022124 k( 132) = ( 0.0490196 0.3095427 -0.0000000), wk = 0.0022124 k( 133) = ( 0.0392157 0.3095427 -0.0000000), wk = 0.0022124 k( 134) = ( 0.0294118 0.3095427 -0.0000000), wk = 0.0022124 k( 135) = ( 0.0196078 0.3095427 -0.0000000), wk = 0.0022124 k( 136) = ( 0.0098039 0.3095427 -0.0000000), wk = 0.0022124 k( 137) = ( 0.0000000 0.3095427 -0.0000000), wk = 0.0022124 k( 138) = ( 0.0000000 0.3095427 -0.0000000), wk = 0.0022124 k( 139) = ( 0.0000000 0.2998695 -0.0000000), wk = 0.0022124 k( 140) = ( 0.0000000 0.2901962 -0.0000000), wk = 0.0022124 k( 141) = ( 0.0000000 0.2805230 -0.0000000), wk = 0.0022124 k( 142) = ( 0.0000000 0.2708498 -0.0000000), wk = 0.0022124 k( 143) = ( 0.0000000 0.2611766 -0.0000000), wk = 0.0022124 k( 144) = ( 0.0000000 0.2515034 -0.0000000), wk = 0.0022124 k( 145) = ( 0.0000000 0.2418302 -0.0000000), wk = 0.0022124 k( 146) = ( 0.0000000 0.2321570 -0.0000000), wk = 0.0022124 k( 147) = ( 0.0000000 0.2224838 -0.0000000), wk = 0.0022124 k( 148) = ( 0.0000000 0.2128106 -0.0000000), wk = 0.0022124 k( 149) = ( 0.0000000 0.2031374 -0.0000000), wk = 0.0022124 k( 150) = ( 0.0000000 0.1934642 -0.0000000), wk = 0.0022124 k( 151) = ( 0.0000000 0.1837910 -0.0000000), wk = 0.0022124 k( 152) = ( 0.0000000 0.1741177 -0.0000000), wk = 0.0022124 k( 153) = ( 0.0000000 0.1644445 -0.0000000), wk = 0.0022124 k( 154) = ( 0.0000000 0.1547713 -0.0000000), wk = 0.0022124 k( 155) = ( 0.0000000 0.1450981 -0.0000000), wk = 0.0022124 k( 156) = ( 0.0000000 0.1354249 -0.0000000), wk = 0.0022124 k( 157) = ( 0.0000000 0.1257517 -0.0000000), wk = 0.0022124 k( 158) = ( 0.0000000 0.1160785 -0.0000000), wk = 0.0022124 k( 159) = ( 0.0000000 0.1064053 -0.0000000), wk = 0.0022124 k( 160) = ( 0.0000000 0.0967321 -0.0000000), wk = 0.0022124 k( 161) = ( 0.0000000 0.0870589 -0.0000000), wk = 0.0022124 k( 162) = ( 0.0000000 0.0773857 -0.0000000), wk = 0.0022124 k( 163) = ( 0.0000000 0.0677125 -0.0000000), wk = 0.0022124 k( 164) = ( 0.0000000 0.0580392 -0.0000000), wk = 0.0022124 k( 165) = ( 0.0000000 0.0483660 -0.0000000), wk = 0.0022124 k( 166) = ( 0.0000000 0.0386928 -0.0000000), wk = 0.0022124 k( 167) = ( 0.0000000 0.0290196 -0.0000000), wk = 0.0022124 k( 168) = ( 0.0000000 0.0193464 -0.0000000), wk = 0.0022124 k( 169) = ( 0.0000000 0.0096732 -0.0000000), wk = 0.0022124 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 172) = ( 0.0000000 0.0000000 0.0098599), wk = 0.0022124 k( 173) = ( 0.0000000 0.0000000 0.0197199), wk = 0.0022124 k( 174) = ( 0.0000000 0.0000000 0.0295798), wk = 0.0022124 k( 175) = ( 0.0000000 0.0000000 0.0394397), wk = 0.0022124 k( 176) = ( 0.0000000 0.0000000 0.0492997), wk = 0.0022124 k( 177) = ( 0.0000000 0.0000000 0.0591596), wk = 0.0022124 k( 178) = ( 0.0000000 0.0000000 0.0690196), wk = 0.0022124 k( 179) = ( 0.0000000 0.0000000 0.0788795), wk = 0.0022124 k( 180) = ( 0.0000000 0.0000000 0.0887394), wk = 0.0022124 k( 181) = ( 0.0000000 0.0000000 0.0985994), wk = 0.0022124 k( 182) = ( 0.0000000 0.0000000 0.1084593), wk = 0.0022124 k( 183) = ( 0.0000000 0.0000000 0.1183192), wk = 0.0022124 k( 184) = ( 0.0000000 0.0000000 0.1281792), wk = 0.0022124 k( 185) = ( 0.0000000 0.0000000 0.1380391), wk = 0.0022124 k( 186) = ( 0.0000000 0.0000000 0.1478990), wk = 0.0022124 k( 187) = ( 0.0000000 0.0000000 0.1577590), wk = 0.0022124 k( 188) = ( 0.0000000 0.0000000 0.1676189), wk = 0.0022124 k( 189) = ( 0.0000000 0.0000000 0.1774789), wk = 0.0022124 k( 190) = ( 0.0000000 0.0000000 0.1873388), wk = 0.0022124 k( 191) = ( 0.0000000 0.0000000 0.1971987), wk = 0.0022124 k( 192) = ( 0.0000000 0.0000000 0.2070587), wk = 0.0022124 k( 193) = ( 0.0000000 0.0000000 0.2169186), wk = 0.0022124 k( 194) = ( 0.0000000 0.0000000 0.2267785), wk = 0.0022124 k( 195) = ( 0.0000000 0.0000000 0.2366385), wk = 0.0022124 k( 196) = ( 0.0000000 0.0000000 0.2464984), wk = 0.0022124 k( 197) = ( 0.0000000 0.0000000 0.2563583), wk = 0.0022124 k( 198) = ( 0.0000000 0.0000000 0.2662183), wk = 0.0022124 k( 199) = ( 0.0000000 0.0000000 0.2662183), wk = 0.0022124 k( 200) = ( 0.0098039 -0.0000000 0.2662183), wk = 0.0022124 k( 201) = ( 0.0196078 -0.0000000 0.2662183), wk = 0.0022124 k( 202) = ( 0.0294118 -0.0000000 0.2662183), wk = 0.0022124 k( 203) = ( 0.0392157 -0.0000000 0.2662183), wk = 0.0022124 k( 204) = ( 0.0490196 -0.0000000 0.2662183), wk = 0.0022124 k( 205) = ( 0.0588235 -0.0000000 0.2662183), wk = 0.0022124 k( 206) = ( 0.0686275 -0.0000000 0.2662183), wk = 0.0022124 k( 207) = ( 0.0784314 -0.0000000 0.2662183), wk = 0.0022124 k( 208) = ( 0.0882353 -0.0000000 0.2662183), wk = 0.0022124 k( 209) = ( 0.0980392 -0.0000000 0.2662183), wk = 0.0022124 k( 210) = ( 0.1078431 -0.0000000 0.2662183), wk = 0.0022124 k( 211) = ( 0.1176471 -0.0000000 0.2662183), wk = 0.0022124 k( 212) = ( 0.1274510 -0.0000000 0.2662183), wk = 0.0022124 k( 213) = ( 0.1372549 -0.0000000 0.2662183), wk = 0.0022124 k( 214) = ( 0.1470588 -0.0000000 0.2662183), wk = 0.0022124 k( 215) = ( 0.1568627 -0.0000000 0.2662183), wk = 0.0022124 k( 216) = ( 0.1666667 -0.0000000 0.2662183), wk = 0.0022124 k( 217) = ( 0.1764706 -0.0000000 0.2662183), wk = 0.0022124 k( 218) = ( 0.1862745 -0.0000000 0.2662183), wk = 0.0022124 k( 219) = ( 0.1960784 -0.0000000 0.2662183), wk = 0.0022124 k( 220) = ( 0.2058823 -0.0000000 0.2662183), wk = 0.0022124 k( 221) = ( 0.2156863 -0.0000000 0.2662183), wk = 0.0022124 k( 222) = ( 0.2254902 -0.0000000 0.2662183), wk = 0.0022124 k( 223) = ( 0.2352941 -0.0000000 0.2662183), wk = 0.0022124 k( 224) = ( 0.2450980 -0.0000000 0.2662183), wk = 0.0022124 k( 225) = ( 0.2549020 -0.0000000 0.2662183), wk = 0.0022124 k( 226) = ( 0.2647059 -0.0000000 0.2662183), wk = 0.0022124 k( 227) = ( 0.2745098 -0.0000000 0.2662183), wk = 0.0022124 k( 228) = ( 0.2843137 -0.0000000 0.2662183), wk = 0.0022124 k( 229) = ( 0.2941177 -0.0000000 0.2662183), wk = 0.0022124 k( 230) = ( 0.3039216 -0.0000000 0.2662183), wk = 0.0022124 k( 231) = ( 0.3137255 -0.0000000 0.2662183), wk = 0.0022124 k( 232) = ( 0.3235294 -0.0000000 0.2662183), wk = 0.0022124 k( 233) = ( 0.3333333 -0.0000000 0.2662183), wk = 0.0022124 k( 234) = ( 0.3431373 -0.0000000 0.2662183), wk = 0.0022124 k( 235) = ( 0.3529412 -0.0000000 0.2662183), wk = 0.0022124 k( 236) = ( 0.3627451 -0.0000000 0.2662183), wk = 0.0022124 k( 237) = ( 0.3725490 -0.0000000 0.2662183), wk = 0.0022124 k( 238) = ( 0.3823529 -0.0000000 0.2662183), wk = 0.0022124 k( 239) = ( 0.3921569 -0.0000000 0.2662183), wk = 0.0022124 k( 240) = ( 0.4019608 -0.0000000 0.2662183), wk = 0.0022124 k( 241) = ( 0.4117647 -0.0000000 0.2662183), wk = 0.0022124 k( 242) = ( 0.4215686 -0.0000000 0.2662183), wk = 0.0022124 k( 243) = ( 0.4313726 -0.0000000 0.2662183), wk = 0.0022124 k( 244) = ( 0.4411765 -0.0000000 0.2662183), wk = 0.0022124 k( 245) = ( 0.4509804 -0.0000000 0.2662183), wk = 0.0022124 k( 246) = ( 0.4607843 -0.0000000 0.2662183), wk = 0.0022124 k( 247) = ( 0.4705882 -0.0000000 0.2662183), wk = 0.0022124 k( 248) = ( 0.4803922 -0.0000000 0.2662183), wk = 0.0022124 k( 249) = ( 0.4901961 -0.0000000 0.2662183), wk = 0.0022124 k( 250) = ( 0.5000000 -0.0000000 0.2662183), wk = 0.0022124 k( 251) = ( 0.5000000 -0.0000000 0.2662183), wk = 0.0022124 k( 252) = ( 0.5000000 0.0096732 0.2662183), wk = 0.0022124 k( 253) = ( 0.5000000 0.0193464 0.2662183), wk = 0.0022124 k( 254) = ( 0.5000000 0.0290196 0.2662183), wk = 0.0022124 k( 255) = ( 0.5000000 0.0386928 0.2662183), wk = 0.0022124 k( 256) = ( 0.5000000 0.0483660 0.2662183), wk = 0.0022124 k( 257) = ( 0.5000000 0.0580392 0.2662183), wk = 0.0022124 k( 258) = ( 0.5000000 0.0677125 0.2662183), wk = 0.0022124 k( 259) = ( 0.5000000 0.0773857 0.2662183), wk = 0.0022124 k( 260) = ( 0.5000000 0.0870589 0.2662183), wk = 0.0022124 k( 261) = ( 0.5000000 0.0967321 0.2662183), wk = 0.0022124 k( 262) = ( 0.5000000 0.1064053 0.2662183), wk = 0.0022124 k( 263) = ( 0.5000000 0.1160785 0.2662183), wk = 0.0022124 k( 264) = ( 0.5000000 0.1257517 0.2662183), wk = 0.0022124 k( 265) = ( 0.5000000 0.1354249 0.2662183), wk = 0.0022124 k( 266) = ( 0.5000000 0.1450981 0.2662183), wk = 0.0022124 k( 267) = ( 0.5000000 0.1547713 0.2662183), wk = 0.0022124 k( 268) = ( 0.5000000 0.1644445 0.2662183), wk = 0.0022124 k( 269) = ( 0.5000000 0.1741177 0.2662183), wk = 0.0022124 k( 270) = ( 0.5000000 0.1837910 0.2662183), wk = 0.0022124 k( 271) = ( 0.5000000 0.1934642 0.2662183), wk = 0.0022124 k( 272) = ( 0.5000000 0.2031374 0.2662183), wk = 0.0022124 k( 273) = ( 0.5000000 0.2128106 0.2662183), wk = 0.0022124 k( 274) = ( 0.5000000 0.2224838 0.2662183), wk = 0.0022124 k( 275) = ( 0.5000000 0.2321570 0.2662183), wk = 0.0022124 k( 276) = ( 0.5000000 0.2418302 0.2662183), wk = 0.0022124 k( 277) = ( 0.5000000 0.2515034 0.2662183), wk = 0.0022124 k( 278) = ( 0.5000000 0.2611766 0.2662183), wk = 0.0022124 k( 279) = ( 0.5000000 0.2708498 0.2662183), wk = 0.0022124 k( 280) = ( 0.5000000 0.2805230 0.2662183), wk = 0.0022124 k( 281) = ( 0.5000000 0.2901962 0.2662183), wk = 0.0022124 k( 282) = ( 0.5000000 0.2998695 0.2662183), wk = 0.0022124 k( 283) = ( 0.5000000 0.3095427 0.2662183), wk = 0.0022124 k( 284) = ( 0.5000000 0.3095427 0.2662183), wk = 0.0022124 k( 285) = ( 0.4901961 0.3095427 0.2662183), wk = 0.0022124 k( 286) = ( 0.4803922 0.3095427 0.2662183), wk = 0.0022124 k( 287) = ( 0.4705882 0.3095427 0.2662183), wk = 0.0022124 k( 288) = ( 0.4607843 0.3095427 0.2662183), wk = 0.0022124 k( 289) = ( 0.4509804 0.3095427 0.2662183), wk = 0.0022124 k( 290) = ( 0.4411765 0.3095427 0.2662183), wk = 0.0022124 k( 291) = ( 0.4313726 0.3095427 0.2662183), wk = 0.0022124 k( 292) = ( 0.4215686 0.3095427 0.2662183), wk = 0.0022124 k( 293) = ( 0.4117647 0.3095427 0.2662183), wk = 0.0022124 k( 294) = ( 0.4019608 0.3095427 0.2662183), wk = 0.0022124 k( 295) = ( 0.3921569 0.3095427 0.2662183), wk = 0.0022124 k( 296) = ( 0.3823529 0.3095427 0.2662183), wk = 0.0022124 k( 297) = ( 0.3725490 0.3095427 0.2662183), wk = 0.0022124 k( 298) = ( 0.3627451 0.3095427 0.2662183), wk = 0.0022124 k( 299) = ( 0.3529412 0.3095427 0.2662183), wk = 0.0022124 k( 300) = ( 0.3431373 0.3095427 0.2662183), wk = 0.0022124 k( 301) = ( 0.3333333 0.3095427 0.2662183), wk = 0.0022124 k( 302) = ( 0.3235294 0.3095427 0.2662183), wk = 0.0022124 k( 303) = ( 0.3137255 0.3095427 0.2662183), wk = 0.0022124 k( 304) = ( 0.3039216 0.3095427 0.2662183), wk = 0.0022124 k( 305) = ( 0.2941177 0.3095427 0.2662183), wk = 0.0022124 k( 306) = ( 0.2843137 0.3095427 0.2662183), wk = 0.0022124 k( 307) = ( 0.2745098 0.3095427 0.2662183), wk = 0.0022124 k( 308) = ( 0.2647059 0.3095427 0.2662183), wk = 0.0022124 k( 309) = ( 0.2549020 0.3095427 0.2662183), wk = 0.0022124 k( 310) = ( 0.2450980 0.3095427 0.2662183), wk = 0.0022124 k( 311) = ( 0.2352941 0.3095427 0.2662183), wk = 0.0022124 k( 312) = ( 0.2254902 0.3095427 0.2662183), wk = 0.0022124 k( 313) = ( 0.2156863 0.3095427 0.2662183), wk = 0.0022124 k( 314) = ( 0.2058823 0.3095427 0.2662183), wk = 0.0022124 k( 315) = ( 0.1960784 0.3095427 0.2662183), wk = 0.0022124 k( 316) = ( 0.1862745 0.3095427 0.2662183), wk = 0.0022124 k( 317) = ( 0.1764706 0.3095427 0.2662183), wk = 0.0022124 k( 318) = ( 0.1666667 0.3095427 0.2662183), wk = 0.0022124 k( 319) = ( 0.1568627 0.3095427 0.2662183), wk = 0.0022124 k( 320) = ( 0.1470588 0.3095427 0.2662183), wk = 0.0022124 k( 321) = ( 0.1372549 0.3095427 0.2662183), wk = 0.0022124 k( 322) = ( 0.1274510 0.3095427 0.2662183), wk = 0.0022124 k( 323) = ( 0.1176471 0.3095427 0.2662183), wk = 0.0022124 k( 324) = ( 0.1078431 0.3095427 0.2662183), wk = 0.0022124 k( 325) = ( 0.0980392 0.3095427 0.2662183), wk = 0.0022124 k( 326) = ( 0.0882353 0.3095427 0.2662183), wk = 0.0022124 k( 327) = ( 0.0784314 0.3095427 0.2662183), wk = 0.0022124 k( 328) = ( 0.0686275 0.3095427 0.2662183), wk = 0.0022124 k( 329) = ( 0.0588235 0.3095427 0.2662183), wk = 0.0022124 k( 330) = ( 0.0490196 0.3095427 0.2662183), wk = 0.0022124 k( 331) = ( 0.0392157 0.3095427 0.2662183), wk = 0.0022124 k( 332) = ( 0.0294118 0.3095427 0.2662183), wk = 0.0022124 k( 333) = ( 0.0196078 0.3095427 0.2662183), wk = 0.0022124 k( 334) = ( 0.0098039 0.3095427 0.2662183), wk = 0.0022124 k( 335) = ( 0.0000000 0.3095427 0.2662183), wk = 0.0022124 k( 336) = ( 0.0000000 0.3095427 0.2662183), wk = 0.0022124 k( 337) = ( 0.0000000 0.2998695 0.2662183), wk = 0.0022124 k( 338) = ( 0.0000000 0.2901962 0.2662183), wk = 0.0022124 k( 339) = ( 0.0000000 0.2805230 0.2662183), wk = 0.0022124 k( 340) = ( 0.0000000 0.2708498 0.2662183), wk = 0.0022124 k( 341) = ( 0.0000000 0.2611766 0.2662183), wk = 0.0022124 k( 342) = ( 0.0000000 0.2515034 0.2662183), wk = 0.0022124 k( 343) = ( 0.0000000 0.2418302 0.2662183), wk = 0.0022124 k( 344) = ( 0.0000000 0.2321570 0.2662183), wk = 0.0022124 k( 345) = ( 0.0000000 0.2224838 0.2662183), wk = 0.0022124 k( 346) = ( 0.0000000 0.2128106 0.2662183), wk = 0.0022124 k( 347) = ( 0.0000000 0.2031374 0.2662183), wk = 0.0022124 k( 348) = ( 0.0000000 0.1934642 0.2662183), wk = 0.0022124 k( 349) = ( 0.0000000 0.1837910 0.2662183), wk = 0.0022124 k( 350) = ( 0.0000000 0.1741177 0.2662183), wk = 0.0022124 k( 351) = ( 0.0000000 0.1644445 0.2662183), wk = 0.0022124 k( 352) = ( 0.0000000 0.1547713 0.2662183), wk = 0.0022124 k( 353) = ( 0.0000000 0.1450981 0.2662183), wk = 0.0022124 k( 354) = ( 0.0000000 0.1354249 0.2662183), wk = 0.0022124 k( 355) = ( 0.0000000 0.1257517 0.2662183), wk = 0.0022124 k( 356) = ( 0.0000000 0.1160785 0.2662183), wk = 0.0022124 k( 357) = ( 0.0000000 0.1064053 0.2662183), wk = 0.0022124 k( 358) = ( 0.0000000 0.0967321 0.2662183), wk = 0.0022124 k( 359) = ( 0.0000000 0.0870589 0.2662183), wk = 0.0022124 k( 360) = ( 0.0000000 0.0773857 0.2662183), wk = 0.0022124 k( 361) = ( 0.0000000 0.0677125 0.2662183), wk = 0.0022124 k( 362) = ( 0.0000000 0.0580392 0.2662183), wk = 0.0022124 k( 363) = ( 0.0000000 0.0483660 0.2662183), wk = 0.0022124 k( 364) = ( 0.0000000 0.0386928 0.2662183), wk = 0.0022124 k( 365) = ( 0.0000000 0.0290196 0.2662183), wk = 0.0022124 k( 366) = ( 0.0000000 0.0193464 0.2662183), wk = 0.0022124 k( 367) = ( 0.0000000 0.0096732 0.2662183), wk = 0.0022124 k( 368) = ( 0.0000000 0.0000000 0.2662183), wk = 0.0022124 k( 369) = ( 0.0000000 0.3095427 -0.0000000), wk = 0.0022124 k( 370) = ( 0.0000000 0.3095427 0.0098599), wk = 0.0022124 k( 371) = ( 0.0000000 0.3095427 0.0197199), wk = 0.0022124 k( 372) = ( 0.0000000 0.3095427 0.0295798), wk = 0.0022124 k( 373) = ( 0.0000000 0.3095427 0.0394397), wk = 0.0022124 k( 374) = ( 0.0000000 0.3095427 0.0492997), wk = 0.0022124 k( 375) = ( 0.0000000 0.3095427 0.0591596), wk = 0.0022124 k( 376) = ( 0.0000000 0.3095427 0.0690196), wk = 0.0022124 k( 377) = ( 0.0000000 0.3095427 0.0788795), wk = 0.0022124 k( 378) = ( 0.0000000 0.3095427 0.0887394), wk = 0.0022124 k( 379) = ( 0.0000000 0.3095427 0.0985994), wk = 0.0022124 k( 380) = ( 0.0000000 0.3095427 0.1084593), wk = 0.0022124 k( 381) = ( 0.0000000 0.3095427 0.1183192), wk = 0.0022124 k( 382) = ( 0.0000000 0.3095427 0.1281792), wk = 0.0022124 k( 383) = ( 0.0000000 0.3095427 0.1380391), wk = 0.0022124 k( 384) = ( 0.0000000 0.3095427 0.1478990), wk = 0.0022124 k( 385) = ( 0.0000000 0.3095427 0.1577590), wk = 0.0022124 k( 386) = ( 0.0000000 0.3095427 0.1676189), wk = 0.0022124 k( 387) = ( 0.0000000 0.3095427 0.1774789), wk = 0.0022124 k( 388) = ( 0.0000000 0.3095427 0.1873388), wk = 0.0022124 k( 389) = ( 0.0000000 0.3095427 0.1971987), wk = 0.0022124 k( 390) = ( 0.0000000 0.3095427 0.2070587), wk = 0.0022124 k( 391) = ( 0.0000000 0.3095427 0.2169186), wk = 0.0022124 k( 392) = ( 0.0000000 0.3095427 0.2267785), wk = 0.0022124 k( 393) = ( 0.0000000 0.3095427 0.2366385), wk = 0.0022124 k( 394) = ( 0.0000000 0.3095427 0.2464984), wk = 0.0022124 k( 395) = ( 0.0000000 0.3095427 0.2563583), wk = 0.0022124 k( 396) = ( 0.0000000 0.3095427 0.2662183), wk = 0.0022124 k( 397) = ( 0.5000000 -0.0000000 0.2662183), wk = 0.0022124 k( 398) = ( 0.5000000 -0.0000000 0.2563583), wk = 0.0022124 k( 399) = ( 0.5000000 -0.0000000 0.2464984), wk = 0.0022124 k( 400) = ( 0.5000000 -0.0000000 0.2366385), wk = 0.0022124 k( 401) = ( 0.5000000 -0.0000000 0.2267785), wk = 0.0022124 k( 402) = ( 0.5000000 -0.0000000 0.2169186), wk = 0.0022124 k( 403) = ( 0.5000000 -0.0000000 0.2070587), wk = 0.0022124 k( 404) = ( 0.5000000 -0.0000000 0.1971987), wk = 0.0022124 k( 405) = ( 0.5000000 -0.0000000 0.1873388), wk = 0.0022124 k( 406) = ( 0.5000000 -0.0000000 0.1774789), wk = 0.0022124 k( 407) = ( 0.5000000 -0.0000000 0.1676189), wk = 0.0022124 k( 408) = ( 0.5000000 -0.0000000 0.1577590), wk = 0.0022124 k( 409) = ( 0.5000000 -0.0000000 0.1478990), wk = 0.0022124 k( 410) = ( 0.5000000 -0.0000000 0.1380391), wk = 0.0022124 k( 411) = ( 0.5000000 -0.0000000 0.1281792), wk = 0.0022124 k( 412) = ( 0.5000000 -0.0000000 0.1183192), wk = 0.0022124 k( 413) = ( 0.5000000 -0.0000000 0.1084593), wk = 0.0022124 k( 414) = ( 0.5000000 -0.0000000 0.0985994), wk = 0.0022124 k( 415) = ( 0.5000000 -0.0000000 0.0887394), wk = 0.0022124 k( 416) = ( 0.5000000 -0.0000000 0.0788795), wk = 0.0022124 k( 417) = ( 0.5000000 -0.0000000 0.0690196), wk = 0.0022124 k( 418) = ( 0.5000000 -0.0000000 0.0591596), wk = 0.0022124 k( 419) = ( 0.5000000 -0.0000000 0.0492997), wk = 0.0022124 k( 420) = ( 0.5000000 -0.0000000 0.0394397), wk = 0.0022124 k( 421) = ( 0.5000000 -0.0000000 0.0295798), wk = 0.0022124 k( 422) = ( 0.5000000 -0.0000000 0.0197199), wk = 0.0022124 k( 423) = ( 0.5000000 -0.0000000 0.0098599), wk = 0.0022124 k( 424) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022124 k( 425) = ( 0.5000000 0.3095427 -0.0000000), wk = 0.0022124 k( 426) = ( 0.5000000 0.3095427 0.0098599), wk = 0.0022124 k( 427) = ( 0.5000000 0.3095427 0.0197199), wk = 0.0022124 k( 428) = ( 0.5000000 0.3095427 0.0295798), wk = 0.0022124 k( 429) = ( 0.5000000 0.3095427 0.0394397), wk = 0.0022124 k( 430) = ( 0.5000000 0.3095427 0.0492997), wk = 0.0022124 k( 431) = ( 0.5000000 0.3095427 0.0591596), wk = 0.0022124 k( 432) = ( 0.5000000 0.3095427 0.0690196), wk = 0.0022124 k( 433) = ( 0.5000000 0.3095427 0.0788795), wk = 0.0022124 k( 434) = ( 0.5000000 0.3095427 0.0887394), wk = 0.0022124 k( 435) = ( 0.5000000 0.3095427 0.0985994), wk = 0.0022124 k( 436) = ( 0.5000000 0.3095427 0.1084593), wk = 0.0022124 k( 437) = ( 0.5000000 0.3095427 0.1183192), wk = 0.0022124 k( 438) = ( 0.5000000 0.3095427 0.1281792), wk = 0.0022124 k( 439) = ( 0.5000000 0.3095427 0.1380391), wk = 0.0022124 k( 440) = ( 0.5000000 0.3095427 0.1478990), wk = 0.0022124 k( 441) = ( 0.5000000 0.3095427 0.1577590), wk = 0.0022124 k( 442) = ( 0.5000000 0.3095427 0.1676189), wk = 0.0022124 k( 443) = ( 0.5000000 0.3095427 0.1774789), wk = 0.0022124 k( 444) = ( 0.5000000 0.3095427 0.1873388), wk = 0.0022124 k( 445) = ( 0.5000000 0.3095427 0.1971987), wk = 0.0022124 k( 446) = ( 0.5000000 0.3095427 0.2070587), wk = 0.0022124 k( 447) = ( 0.5000000 0.3095427 0.2169186), wk = 0.0022124 k( 448) = ( 0.5000000 0.3095427 0.2267785), wk = 0.0022124 k( 449) = ( 0.5000000 0.3095427 0.2366385), wk = 0.0022124 k( 450) = ( 0.5000000 0.3095427 0.2464984), wk = 0.0022124 k( 451) = ( 0.5000000 0.3095427 0.2563583), wk = 0.0022124 k( 452) = ( 0.5000000 0.3095427 0.2662183), wk = 0.0022124 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0022124 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0022124 k( 4) = ( 0.0294118 0.0000000 -0.0000000), wk = 0.0022124 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0022124 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0022124 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0022124 k( 8) = ( 0.0686275 -0.0000000 0.0000000), wk = 0.0022124 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0022124 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0022124 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0022124 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0022124 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0022124 k( 14) = ( 0.1274510 -0.0000000 0.0000000), wk = 0.0022124 k( 15) = ( 0.1372549 -0.0000000 0.0000000), wk = 0.0022124 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0022124 k( 17) = ( 0.1568627 0.0000000 0.0000000), wk = 0.0022124 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0022124 k( 19) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0022124 k( 20) = ( 0.1862745 0.0000000 -0.0000000), wk = 0.0022124 k( 21) = ( 0.1960784 0.0000000 0.0000000), wk = 0.0022124 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0022124 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0022124 k( 24) = ( 0.2254902 0.0000000 0.0000000), wk = 0.0022124 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0022124 k( 26) = ( 0.2450980 -0.0000000 0.0000000), wk = 0.0022124 k( 27) = ( 0.2549020 -0.0000000 0.0000000), wk = 0.0022124 k( 28) = ( 0.2647059 -0.0000000 0.0000000), wk = 0.0022124 k( 29) = ( 0.2745098 -0.0000000 0.0000000), wk = 0.0022124 k( 30) = ( 0.2843137 0.0000000 0.0000000), wk = 0.0022124 k( 31) = ( 0.2941177 -0.0000000 0.0000000), wk = 0.0022124 k( 32) = ( 0.3039216 0.0000000 0.0000000), wk = 0.0022124 k( 33) = ( 0.3137255 -0.0000000 0.0000000), wk = 0.0022124 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0022124 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0022124 k( 36) = ( 0.3431373 0.0000000 0.0000000), wk = 0.0022124 k( 37) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0022124 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0022124 k( 39) = ( 0.3725490 0.0000000 -0.0000000), wk = 0.0022124 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0022124 k( 41) = ( 0.3921569 0.0000000 0.0000000), wk = 0.0022124 k( 42) = ( 0.4019608 0.0000000 0.0000000), wk = 0.0022124 k( 43) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0022124 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0022124 k( 45) = ( 0.4313726 0.0000000 -0.0000000), wk = 0.0022124 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0022124 k( 47) = ( 0.4509804 0.0000000 -0.0000000), wk = 0.0022124 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0022124 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0022124 k( 50) = ( 0.4803922 0.0000000 0.0000000), wk = 0.0022124 k( 51) = ( 0.4901961 -0.0000000 0.0000000), wk = 0.0022124 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022124 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022124 k( 54) = ( 0.5000000 0.0156250 0.0000000), wk = 0.0022124 k( 55) = ( 0.5000000 0.0312500 0.0000000), wk = 0.0022124 k( 56) = ( 0.5000000 0.0468750 0.0000000), wk = 0.0022124 k( 57) = ( 0.5000000 0.0625000 0.0000000), wk = 0.0022124 k( 58) = ( 0.5000000 0.0781250 0.0000000), wk = 0.0022124 k( 59) = ( 0.5000000 0.0937500 0.0000000), wk = 0.0022124 k( 60) = ( 0.5000000 0.1093750 0.0000000), wk = 0.0022124 k( 61) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0022124 k( 62) = ( 0.5000000 0.1406250 0.0000000), wk = 0.0022124 k( 63) = ( 0.5000000 0.1562500 0.0000000), wk = 0.0022124 k( 64) = ( 0.5000000 0.1718750 -0.0000000), wk = 0.0022124 k( 65) = ( 0.5000000 0.1875000 0.0000000), wk = 0.0022124 k( 66) = ( 0.5000000 0.2031250 0.0000000), wk = 0.0022124 k( 67) = ( 0.5000000 0.2187500 0.0000000), wk = 0.0022124 k( 68) = ( 0.5000000 0.2343750 0.0000000), wk = 0.0022124 k( 69) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0022124 k( 70) = ( 0.5000000 0.2656250 0.0000000), wk = 0.0022124 k( 71) = ( 0.5000000 0.2812500 0.0000000), wk = 0.0022124 k( 72) = ( 0.5000000 0.2968750 0.0000000), wk = 0.0022124 k( 73) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0022124 k( 74) = ( 0.5000000 0.3281250 0.0000000), wk = 0.0022124 k( 75) = ( 0.5000000 0.3437500 0.0000000), wk = 0.0022124 k( 76) = ( 0.5000000 0.3593750 0.0000000), wk = 0.0022124 k( 77) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0022124 k( 78) = ( 0.5000000 0.3906250 0.0000000), wk = 0.0022124 k( 79) = ( 0.5000000 0.4062500 -0.0000000), wk = 0.0022124 k( 80) = ( 0.5000000 0.4218750 0.0000000), wk = 0.0022124 k( 81) = ( 0.5000000 0.4375000 0.0000000), wk = 0.0022124 k( 82) = ( 0.5000000 0.4531250 0.0000000), wk = 0.0022124 k( 83) = ( 0.5000000 0.4687500 0.0000000), wk = 0.0022124 k( 84) = ( 0.5000000 0.4843750 0.0000000), wk = 0.0022124 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022124 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022124 k( 87) = ( 0.4901961 0.5000000 0.0000000), wk = 0.0022124 k( 88) = ( 0.4803922 0.5000000 0.0000000), wk = 0.0022124 k( 89) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0022124 k( 90) = ( 0.4607843 0.5000000 0.0000000), wk = 0.0022124 k( 91) = ( 0.4509804 0.5000000 0.0000000), wk = 0.0022124 k( 92) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0022124 k( 93) = ( 0.4313726 0.5000000 -0.0000000), wk = 0.0022124 k( 94) = ( 0.4215686 0.5000000 0.0000000), wk = 0.0022124 k( 95) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0022124 k( 96) = ( 0.4019608 0.5000000 0.0000000), wk = 0.0022124 k( 97) = ( 0.3921569 0.5000000 0.0000000), wk = 0.0022124 k( 98) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0022124 k( 99) = ( 0.3725490 0.5000000 0.0000000), wk = 0.0022124 k( 100) = ( 0.3627451 0.5000000 0.0000000), wk = 0.0022124 k( 101) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0022124 k( 102) = ( 0.3431373 0.5000000 0.0000000), wk = 0.0022124 k( 103) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0022124 k( 104) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0022124 k( 105) = ( 0.3137255 0.5000000 0.0000000), wk = 0.0022124 k( 106) = ( 0.3039216 0.5000000 0.0000000), wk = 0.0022124 k( 107) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0022124 k( 108) = ( 0.2843137 0.5000000 0.0000000), wk = 0.0022124 k( 109) = ( 0.2745098 0.5000000 0.0000000), wk = 0.0022124 k( 110) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0022124 k( 111) = ( 0.2549020 0.5000000 0.0000000), wk = 0.0022124 k( 112) = ( 0.2450980 0.5000000 0.0000000), wk = 0.0022124 k( 113) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0022124 k( 114) = ( 0.2254902 0.5000000 0.0000000), wk = 0.0022124 k( 115) = ( 0.2156863 0.5000000 0.0000000), wk = 0.0022124 k( 116) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0022124 k( 117) = ( 0.1960784 0.5000000 0.0000000), wk = 0.0022124 k( 118) = ( 0.1862745 0.5000000 0.0000000), wk = 0.0022124 k( 119) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0022124 k( 120) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0022124 k( 121) = ( 0.1568627 0.5000000 0.0000000), wk = 0.0022124 k( 122) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0022124 k( 123) = ( 0.1372549 0.5000000 0.0000000), wk = 0.0022124 k( 124) = ( 0.1274510 0.5000000 0.0000000), wk = 0.0022124 k( 125) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0022124 k( 126) = ( 0.1078431 0.5000000 0.0000000), wk = 0.0022124 k( 127) = ( 0.0980392 0.5000000 0.0000000), wk = 0.0022124 k( 128) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0022124 k( 129) = ( 0.0784314 0.5000000 0.0000000), wk = 0.0022124 k( 130) = ( 0.0686275 0.5000000 0.0000000), wk = 0.0022124 k( 131) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0022124 k( 132) = ( 0.0490196 0.5000000 0.0000000), wk = 0.0022124 k( 133) = ( 0.0392157 0.5000000 0.0000000), wk = 0.0022124 k( 134) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0022124 k( 135) = ( 0.0196078 0.5000000 0.0000000), wk = 0.0022124 k( 136) = ( 0.0098039 0.5000000 0.0000000), wk = 0.0022124 k( 137) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022124 k( 138) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022124 k( 139) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0022124 k( 140) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0022124 k( 141) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0022124 k( 142) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0022124 k( 143) = ( 0.0000000 0.4218750 0.0000000), wk = 0.0022124 k( 144) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0022124 k( 145) = ( 0.0000000 0.3906250 0.0000000), wk = 0.0022124 k( 146) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0022124 k( 147) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0022124 k( 148) = ( 0.0000000 0.3437500 0.0000000), wk = 0.0022124 k( 149) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0022124 k( 150) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0022124 k( 151) = ( 0.0000000 0.2968750 0.0000000), wk = 0.0022124 k( 152) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0022124 k( 153) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0022124 k( 154) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0022124 k( 155) = ( 0.0000000 0.2343750 0.0000000), wk = 0.0022124 k( 156) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0022124 k( 157) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0022124 k( 158) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0022124 k( 159) = ( 0.0000000 0.1718750 0.0000000), wk = 0.0022124 k( 160) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0022124 k( 161) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0022124 k( 162) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0022124 k( 163) = ( 0.0000000 0.1093750 0.0000000), wk = 0.0022124 k( 164) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0022124 k( 165) = ( 0.0000000 0.0781250 0.0000000), wk = 0.0022124 k( 166) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0022124 k( 167) = ( 0.0000000 0.0468750 0.0000000), wk = 0.0022124 k( 168) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0022124 k( 169) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0022124 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022124 k( 172) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0022124 k( 173) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0022124 k( 174) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0022124 k( 175) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0022124 k( 176) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0022124 k( 177) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0022124 k( 178) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0022124 k( 179) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0022124 k( 180) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022124 k( 181) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0022124 k( 182) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0022124 k( 183) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0022124 k( 184) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0022124 k( 185) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0022124 k( 186) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0022124 k( 187) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0022124 k( 188) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0022124 k( 189) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022124 k( 190) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0022124 k( 191) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0022124 k( 192) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0022124 k( 193) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0022124 k( 194) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0022124 k( 195) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0022124 k( 196) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0022124 k( 197) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0022124 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 199) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 200) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0022124 k( 201) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0022124 k( 202) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0022124 k( 203) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0022124 k( 204) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0022124 k( 205) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0022124 k( 206) = ( 0.0686275 -0.0000000 0.5000000), wk = 0.0022124 k( 207) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0022124 k( 208) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0022124 k( 209) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0022124 k( 210) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0022124 k( 211) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0022124 k( 212) = ( 0.1274510 -0.0000000 0.5000000), wk = 0.0022124 k( 213) = ( 0.1372549 -0.0000000 0.5000000), wk = 0.0022124 k( 214) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0022124 k( 215) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0022124 k( 216) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0022124 k( 217) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0022124 k( 218) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0022124 k( 219) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0022124 k( 220) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0022124 k( 221) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0022124 k( 222) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0022124 k( 223) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0022124 k( 224) = ( 0.2450980 -0.0000000 0.5000000), wk = 0.0022124 k( 225) = ( 0.2549020 -0.0000000 0.5000000), wk = 0.0022124 k( 226) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0022124 k( 227) = ( 0.2745098 -0.0000000 0.5000000), wk = 0.0022124 k( 228) = ( 0.2843137 0.0000000 0.5000000), wk = 0.0022124 k( 229) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0022124 k( 230) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0022124 k( 231) = ( 0.3137255 -0.0000000 0.5000000), wk = 0.0022124 k( 232) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0022124 k( 233) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0022124 k( 234) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0022124 k( 235) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0022124 k( 236) = ( 0.3627451 0.0000000 0.5000000), wk = 0.0022124 k( 237) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0022124 k( 238) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0022124 k( 239) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0022124 k( 240) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0022124 k( 241) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0022124 k( 242) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0022124 k( 243) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0022124 k( 244) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0022124 k( 245) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0022124 k( 246) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0022124 k( 247) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0022124 k( 248) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0022124 k( 249) = ( 0.4901961 -0.0000000 0.5000000), wk = 0.0022124 k( 250) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022124 k( 251) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022124 k( 252) = ( 0.5000000 0.0156250 0.5000000), wk = 0.0022124 k( 253) = ( 0.5000000 0.0312500 0.5000000), wk = 0.0022124 k( 254) = ( 0.5000000 0.0468750 0.5000000), wk = 0.0022124 k( 255) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0022124 k( 256) = ( 0.5000000 0.0781250 0.5000000), wk = 0.0022124 k( 257) = ( 0.5000000 0.0937500 0.5000000), wk = 0.0022124 k( 258) = ( 0.5000000 0.1093750 0.5000000), wk = 0.0022124 k( 259) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0022124 k( 260) = ( 0.5000000 0.1406250 0.5000000), wk = 0.0022124 k( 261) = ( 0.5000000 0.1562500 0.5000000), wk = 0.0022124 k( 262) = ( 0.5000000 0.1718750 0.5000000), wk = 0.0022124 k( 263) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0022124 k( 264) = ( 0.5000000 0.2031250 0.5000000), wk = 0.0022124 k( 265) = ( 0.5000000 0.2187500 0.5000000), wk = 0.0022124 k( 266) = ( 0.5000000 0.2343750 0.5000000), wk = 0.0022124 k( 267) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0022124 k( 268) = ( 0.5000000 0.2656250 0.5000000), wk = 0.0022124 k( 269) = ( 0.5000000 0.2812500 0.5000000), wk = 0.0022124 k( 270) = ( 0.5000000 0.2968750 0.5000000), wk = 0.0022124 k( 271) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0022124 k( 272) = ( 0.5000000 0.3281250 0.5000000), wk = 0.0022124 k( 273) = ( 0.5000000 0.3437500 0.5000000), wk = 0.0022124 k( 274) = ( 0.5000000 0.3593750 0.5000000), wk = 0.0022124 k( 275) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0022124 k( 276) = ( 0.5000000 0.3906250 0.5000000), wk = 0.0022124 k( 277) = ( 0.5000000 0.4062500 0.5000000), wk = 0.0022124 k( 278) = ( 0.5000000 0.4218750 0.5000000), wk = 0.0022124 k( 279) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0022124 k( 280) = ( 0.5000000 0.4531250 0.5000000), wk = 0.0022124 k( 281) = ( 0.5000000 0.4687500 0.5000000), wk = 0.0022124 k( 282) = ( 0.5000000 0.4843750 0.5000000), wk = 0.0022124 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022124 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022124 k( 285) = ( 0.4901961 0.5000000 0.5000000), wk = 0.0022124 k( 286) = ( 0.4803922 0.5000000 0.5000000), wk = 0.0022124 k( 287) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0022124 k( 288) = ( 0.4607843 0.5000000 0.5000000), wk = 0.0022124 k( 289) = ( 0.4509804 0.5000000 0.5000000), wk = 0.0022124 k( 290) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0022124 k( 291) = ( 0.4313726 0.5000000 0.5000000), wk = 0.0022124 k( 292) = ( 0.4215686 0.5000000 0.5000000), wk = 0.0022124 k( 293) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0022124 k( 294) = ( 0.4019608 0.5000000 0.5000000), wk = 0.0022124 k( 295) = ( 0.3921569 0.5000000 0.5000000), wk = 0.0022124 k( 296) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0022124 k( 297) = ( 0.3725490 0.5000000 0.5000000), wk = 0.0022124 k( 298) = ( 0.3627451 0.5000000 0.5000000), wk = 0.0022124 k( 299) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0022124 k( 300) = ( 0.3431373 0.5000000 0.5000000), wk = 0.0022124 k( 301) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0022124 k( 302) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0022124 k( 303) = ( 0.3137255 0.5000000 0.5000000), wk = 0.0022124 k( 304) = ( 0.3039216 0.5000000 0.5000000), wk = 0.0022124 k( 305) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0022124 k( 306) = ( 0.2843137 0.5000000 0.5000000), wk = 0.0022124 k( 307) = ( 0.2745098 0.5000000 0.5000000), wk = 0.0022124 k( 308) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0022124 k( 309) = ( 0.2549020 0.5000000 0.5000000), wk = 0.0022124 k( 310) = ( 0.2450980 0.5000000 0.5000000), wk = 0.0022124 k( 311) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0022124 k( 312) = ( 0.2254902 0.5000000 0.5000000), wk = 0.0022124 k( 313) = ( 0.2156863 0.5000000 0.5000000), wk = 0.0022124 k( 314) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0022124 k( 315) = ( 0.1960784 0.5000000 0.5000000), wk = 0.0022124 k( 316) = ( 0.1862745 0.5000000 0.5000000), wk = 0.0022124 k( 317) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0022124 k( 318) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0022124 k( 319) = ( 0.1568627 0.5000000 0.5000000), wk = 0.0022124 k( 320) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0022124 k( 321) = ( 0.1372549 0.5000000 0.5000000), wk = 0.0022124 k( 322) = ( 0.1274510 0.5000000 0.5000000), wk = 0.0022124 k( 323) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0022124 k( 324) = ( 0.1078431 0.5000000 0.5000000), wk = 0.0022124 k( 325) = ( 0.0980392 0.5000000 0.5000000), wk = 0.0022124 k( 326) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0022124 k( 327) = ( 0.0784314 0.5000000 0.5000000), wk = 0.0022124 k( 328) = ( 0.0686275 0.5000000 0.5000000), wk = 0.0022124 k( 329) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0022124 k( 330) = ( 0.0490196 0.5000000 0.5000000), wk = 0.0022124 k( 331) = ( 0.0392157 0.5000000 0.5000000), wk = 0.0022124 k( 332) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0022124 k( 333) = ( 0.0196078 0.5000000 0.5000000), wk = 0.0022124 k( 334) = ( 0.0098039 0.5000000 0.5000000), wk = 0.0022124 k( 335) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022124 k( 336) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022124 k( 337) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0022124 k( 338) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0022124 k( 339) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0022124 k( 340) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0022124 k( 341) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0022124 k( 342) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0022124 k( 343) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0022124 k( 344) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0022124 k( 345) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0022124 k( 346) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0022124 k( 347) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0022124 k( 348) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0022124 k( 349) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0022124 k( 350) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0022124 k( 351) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0022124 k( 352) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022124 k( 353) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0022124 k( 354) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0022124 k( 355) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0022124 k( 356) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0022124 k( 357) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0022124 k( 358) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0022124 k( 359) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0022124 k( 360) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0022124 k( 361) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0022124 k( 362) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0022124 k( 363) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0022124 k( 364) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0022124 k( 365) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0022124 k( 366) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0022124 k( 367) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0022124 k( 368) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022124 k( 369) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022124 k( 370) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0022124 k( 371) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0022124 k( 372) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0022124 k( 373) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0022124 k( 374) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0022124 k( 375) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0022124 k( 376) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0022124 k( 377) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0022124 k( 378) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022124 k( 379) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0022124 k( 380) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0022124 k( 381) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0022124 k( 382) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0022124 k( 383) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0022124 k( 384) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0022124 k( 385) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0022124 k( 386) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0022124 k( 387) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022124 k( 388) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0022124 k( 389) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0022124 k( 390) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0022124 k( 391) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0022124 k( 392) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0022124 k( 393) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0022124 k( 394) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0022124 k( 395) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0022124 k( 396) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022124 k( 397) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022124 k( 398) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0022124 k( 399) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0022124 k( 400) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0022124 k( 401) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0022124 k( 402) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0022124 k( 403) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0022124 k( 404) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0022124 k( 405) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0022124 k( 406) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0022124 k( 407) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0022124 k( 408) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0022124 k( 409) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0022124 k( 410) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0022124 k( 411) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0022124 k( 412) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0022124 k( 413) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0022124 k( 414) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0022124 k( 415) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0022124 k( 416) = ( 0.5000000 0.0000000 0.1481481), wk = 0.0022124 k( 417) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0022124 k( 418) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0022124 k( 419) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0022124 k( 420) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0022124 k( 421) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0022124 k( 422) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0022124 k( 423) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0022124 k( 424) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022124 k( 425) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022124 k( 426) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0022124 k( 427) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0022124 k( 428) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0022124 k( 429) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0022124 k( 430) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0022124 k( 431) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0022124 k( 432) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0022124 k( 433) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0022124 k( 434) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0022124 k( 435) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0022124 k( 436) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0022124 k( 437) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0022124 k( 438) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0022124 k( 439) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0022124 k( 440) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0022124 k( 441) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0022124 k( 442) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0022124 k( 443) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0022124 k( 444) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0022124 k( 445) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0022124 k( 446) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0022124 k( 447) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0022124 k( 448) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0022124 k( 449) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0022124 k( 450) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0022124 k( 451) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0022124 k( 452) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022124 Dense grid: 38833 G-vectors FFT dimensions: ( 30, 48, 60) Smooth grid: 26371 G-vectors FFT dimensions: ( 25, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 216, 46) NL pseudopotentials 0.20 Mb ( 108, 124) Each V/rho on FFT grid 0.04 Mb ( 2880) Each G-vector array 0.01 Mb ( 1213) G-vector shells 0.00 Mb ( 609) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 216, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.17 Mb ( 124, 2, 46) The potential is recalculated from file : ./CoAs2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.0 secs Computing kpt #: 10 total cpu time spent up to now is 9.8 secs Computing kpt #: 11 total cpu time spent up to now is 10.4 secs Computing kpt #: 12 total cpu time spent up to now is 11.1 secs Computing kpt #: 13 total cpu time spent up to now is 11.7 secs Computing kpt #: 14 total cpu time spent up to now is 12.4 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.6 secs Computing kpt #: 17 total cpu time spent up to now is 14.2 secs Computing kpt #: 18 total cpu time spent up to now is 14.9 secs Computing kpt #: 19 total cpu time spent up to now is 15.5 secs Computing kpt #: 20 total cpu time spent up to now is 16.1 secs Computing kpt #: 21 total cpu time spent up to now is 16.7 secs Computing kpt #: 22 total cpu time spent up to now is 17.3 secs Computing kpt #: 23 total cpu time spent up to now is 17.9 secs Computing kpt #: 24 total cpu time spent up to now is 18.5 secs Computing kpt #: 25 total cpu time spent up to now is 19.1 secs Computing kpt #: 26 total cpu time spent up to now is 19.7 secs Computing kpt #: 27 total cpu time spent up to now is 20.3 secs Computing kpt #: 28 total cpu time spent up to now is 20.9 secs Computing kpt #: 29 total cpu time spent up to now is 21.6 secs Computing kpt #: 30 total cpu time spent up to now is 22.2 secs Computing kpt #: 31 total cpu time spent up to now is 22.8 secs Computing kpt #: 32 total cpu time spent up to now is 23.4 secs Computing kpt #: 33 total cpu time spent up to now is 24.1 secs Computing kpt #: 34 total cpu time spent up to now is 24.7 secs Computing kpt #: 35 total cpu time spent up to now is 25.3 secs Computing kpt #: 36 total cpu time spent up to now is 25.9 secs Computing kpt #: 37 total cpu time spent up to now is 26.6 secs Computing kpt #: 38 total cpu time spent up to now is 27.2 secs Computing kpt #: 39 total cpu time spent up to now is 27.8 secs Computing kpt #: 40 total cpu time spent up to now is 28.5 secs Computing kpt #: 41 total cpu time spent up to now is 29.1 secs Computing kpt #: 42 total cpu time spent up to now is 29.8 secs Computing kpt #: 43 total cpu time spent up to now is 30.7 secs Computing kpt #: 44 total cpu time spent up to now is 31.6 secs Computing kpt #: 45 total cpu time spent up to now is 33.3 secs Computing kpt #: 46 total cpu time spent up to now is 35.0 secs Computing kpt #: 47 total cpu time spent up to now is 36.4 secs Computing kpt #: 48 total cpu time spent up to now is 37.1 secs Computing kpt #: 49 total cpu time spent up to now is 37.7 secs Computing kpt #: 50 total cpu time spent up to now is 38.3 secs Computing kpt #: 51 total cpu time spent up to now is 39.1 secs Computing kpt #: 52 total cpu time spent up to now is 39.8 secs Computing kpt #: 53 total cpu time spent up to now is 40.5 secs Computing kpt #: 54 total cpu time spent up to now is 41.5 secs Computing kpt #: 55 total cpu time spent up to now is 42.4 secs Computing kpt #: 56 total cpu time spent up to now is 43.4 secs Computing kpt #: 57 total cpu time spent up to now is 44.4 secs Computing kpt #: 58 total cpu time spent up to now is 45.3 secs Computing kpt #: 59 total cpu time spent up to now is 46.2 secs Computing kpt #: 60 total cpu time spent up to now is 47.1 secs Computing kpt #: 61 total cpu time spent up to now is 48.1 secs Computing kpt #: 62 total cpu time spent up to now is 49.0 secs Computing kpt #: 63 total cpu time spent up to now is 49.9 secs Computing kpt #: 64 total cpu time spent up to now is 50.8 secs Computing kpt #: 65 total cpu time spent up to now is 51.8 secs Computing kpt #: 66 total cpu time spent up to now is 52.8 secs Computing kpt #: 67 total cpu time spent up to now is 53.7 secs Computing kpt #: 68 total cpu time spent up to now is 54.7 secs Computing kpt #: 69 total cpu time spent up to now is 55.6 secs Computing kpt #: 70 total cpu time spent up to now is 56.5 secs Computing kpt #: 71 total cpu time spent up to now is 57.5 secs Computing kpt #: 72 total cpu time spent up to now is 58.4 secs Computing kpt #: 73 total cpu time spent up to now is 59.3 secs Computing kpt #: 74 total cpu time spent up to now is 60.2 secs Computing kpt #: 75 total cpu time spent up to now is 60.9 secs Computing kpt #: 76 total cpu time spent up to now is 61.7 secs Computing kpt #: 77 total cpu time spent up to now is 62.5 secs Computing kpt #: 78 total cpu time spent up to now is 63.2 secs Computing kpt #: 79 total cpu time spent up to now is 63.9 secs Computing kpt #: 80 total cpu time spent up to now is 64.7 secs Computing kpt #: 81 total cpu time spent up to now is 65.5 secs Computing kpt #: 82 total cpu time spent up to now is 66.2 secs Computing kpt #: 83 total cpu time spent up to now is 67.0 secs Computing kpt #: 84 total cpu time spent up to now is 67.7 secs Computing kpt #: 85 total cpu time spent up to now is 68.6 secs Computing kpt #: 86 total cpu time spent up to now is 69.5 secs Computing kpt #: 87 total cpu time spent up to now is 70.3 secs Computing kpt #: 88 total cpu time spent up to now is 71.0 secs Computing kpt #: 89 total cpu time spent up to now is 71.7 secs Computing kpt #: 90 total cpu time spent up to now is 72.5 secs Computing kpt #: 91 total cpu time spent up to now is 73.2 secs Computing kpt #: 92 total cpu time spent up to now is 73.9 secs Computing kpt #: 93 total cpu time spent up to now is 74.7 secs Computing kpt #: 94 total cpu time spent up to now is 75.4 secs Computing kpt #: 95 total cpu time spent up to now is 76.1 secs Computing kpt #: 96 total cpu time spent up to now is 76.9 secs Computing kpt #: 97 total cpu time spent up to now is 77.6 secs Computing kpt #: 98 total cpu time spent up to now is 78.3 secs Computing kpt #: 99 total cpu time spent up to now is 79.0 secs Computing kpt #: 100 total cpu time spent up to now is 79.8 secs Computing kpt #: 101 total cpu time spent up to now is 80.5 secs Computing kpt #: 102 total cpu time spent up to now is 81.2 secs Computing kpt #: 103 total cpu time spent up to now is 81.9 secs Computing kpt #: 104 total cpu time spent up to now is 82.7 secs Computing kpt #: 105 total cpu time spent up to now is 83.4 secs Computing kpt #: 106 total cpu time spent up to now is 84.1 secs Computing kpt #: 107 total cpu time spent up to now is 84.8 secs Computing kpt #: 108 total cpu time spent up to now is 85.6 secs Computing kpt #: 109 total cpu time spent up to now is 86.3 secs Computing kpt #: 110 total cpu time spent up to now is 87.0 secs Computing kpt #: 111 total cpu time spent up to now is 87.8 secs Computing kpt #: 112 total cpu time spent up to now is 88.5 secs Computing kpt #: 113 total cpu time spent up to now is 89.2 secs Computing kpt #: 114 total cpu time spent up to now is 90.0 secs Computing kpt #: 115 total cpu time spent up to now is 90.7 secs Computing kpt #: 116 total cpu time spent up to now is 91.3 secs Computing kpt #: 117 total cpu time spent up to now is 92.1 secs Computing kpt #: 118 total cpu time spent up to now is 92.8 secs Computing kpt #: 119 total cpu time spent up to now is 93.4 secs Computing kpt #: 120 total cpu time spent up to now is 94.2 secs Computing kpt #: 121 total cpu time spent up to now is 95.0 secs Computing kpt #: 122 total cpu time spent up to now is 95.7 secs Computing kpt #: 123 total cpu time spent up to now is 96.4 secs Computing kpt #: 124 total cpu time spent up to now is 97.3 secs Computing kpt #: 125 total cpu time spent up to now is 98.0 secs Computing kpt #: 126 total cpu time spent up to now is 98.9 secs Computing kpt #: 127 total cpu time spent up to now is 99.6 secs Computing kpt #: 128 total cpu time spent up to now is 100.3 secs Computing kpt #: 129 total cpu time spent up to now is 101.1 secs Computing kpt #: 130 total cpu time spent up to now is 101.9 secs Computing kpt #: 131 total cpu time spent up to now is 102.7 secs Computing kpt #: 132 total cpu time spent up to now is 103.5 secs Computing kpt #: 133 total cpu time spent up to now is 104.4 secs Computing kpt #: 134 total cpu time spent up to now is 105.4 secs Computing kpt #: 135 total cpu time spent up to now is 106.3 secs Computing kpt #: 136 total cpu time spent up to now is 107.2 secs Computing kpt #: 137 total cpu time spent up to now is 108.0 secs Computing kpt #: 138 total cpu time spent up to now is 108.8 secs Computing kpt #: 139 total cpu time spent up to now is 109.6 secs Computing kpt #: 140 total cpu time spent up to now is 110.5 secs Computing kpt #: 141 total cpu time spent up to now is 111.4 secs Computing kpt #: 142 total cpu time spent up to now is 112.2 secs Computing kpt #: 143 total cpu time spent up to now is 113.0 secs Computing kpt #: 144 total cpu time spent up to now is 113.8 secs Computing kpt #: 145 total cpu time spent up to now is 114.6 secs Computing kpt #: 146 total cpu time spent up to now is 115.4 secs Computing kpt #: 147 total cpu time spent up to now is 116.1 secs Computing kpt #: 148 total cpu time spent up to now is 116.9 secs Computing kpt #: 149 total cpu time spent up to now is 117.6 secs Computing kpt #: 150 total cpu time spent up to now is 118.3 secs Computing kpt #: 151 total cpu time spent up to now is 119.0 secs Computing kpt #: 152 total cpu time spent up to now is 119.8 secs Computing kpt #: 153 total cpu time spent up to now is 120.7 secs Computing kpt #: 154 total cpu time spent up to now is 121.6 secs Computing kpt #: 155 total cpu time spent up to now is 122.7 secs Computing kpt #: 156 total cpu time spent up to now is 123.7 secs Computing kpt #: 157 total cpu time spent up to now is 124.7 secs Computing kpt #: 158 total cpu time spent up to now is 125.5 secs Computing kpt #: 159 total cpu time spent up to now is 126.2 secs Computing kpt #: 160 total cpu time spent up to now is 126.9 secs Computing kpt #: 161 total cpu time spent up to now is 127.7 secs Computing kpt #: 162 total cpu time spent up to now is 128.4 secs Computing kpt #: 163 total cpu time spent up to now is 129.1 secs Computing kpt #: 164 total cpu time spent up to now is 129.8 secs Computing kpt #: 165 total cpu time spent up to now is 130.6 secs Computing kpt #: 166 total cpu time spent up to now is 131.3 secs Computing kpt #: 167 total cpu time spent up to now is 132.0 secs Computing kpt #: 168 total cpu time spent up to now is 132.7 secs Computing kpt #: 169 total cpu time spent up to now is 133.4 secs Computing kpt #: 170 total cpu time spent up to now is 134.2 secs Computing kpt #: 171 total cpu time spent up to now is 134.9 secs Computing kpt #: 172 total cpu time spent up to now is 135.6 secs Computing kpt #: 173 total cpu time spent up to now is 136.3 secs Computing kpt #: 174 total cpu time spent up to now is 137.0 secs Computing kpt #: 175 total cpu time spent up to now is 137.7 secs Computing kpt #: 176 total cpu time spent up to now is 138.4 secs Computing kpt #: 177 total cpu time spent up to now is 139.1 secs Computing kpt #: 178 total cpu time spent up to now is 139.7 secs Computing kpt #: 179 total cpu time spent up to now is 140.3 secs Computing kpt #: 180 total cpu time spent up to now is 141.0 secs Computing kpt #: 181 total cpu time spent up to now is 141.6 secs Computing kpt #: 182 total cpu time spent up to now is 142.3 secs Computing kpt #: 183 total cpu time spent up to now is 142.9 secs Computing kpt #: 184 total cpu time spent up to now is 143.5 secs Computing kpt #: 185 total cpu time spent up to now is 144.2 secs Computing kpt #: 186 total cpu time spent up to now is 144.8 secs Computing kpt #: 187 total cpu time spent up to now is 145.4 secs Computing kpt #: 188 total cpu time spent up to now is 146.0 secs Computing kpt #: 189 total cpu time spent up to now is 146.6 secs Computing kpt #: 190 total cpu time spent up to now is 147.2 secs Computing kpt #: 191 total cpu time spent up to now is 147.9 secs Computing kpt #: 192 total cpu time spent up to now is 148.5 secs Computing kpt #: 193 total cpu time spent up to now is 149.1 secs Computing kpt #: 194 total cpu time spent up to now is 149.7 secs Computing kpt #: 195 total cpu time spent up to now is 150.4 secs Computing kpt #: 196 total cpu time spent up to now is 151.0 secs Computing kpt #: 197 total cpu time spent up to now is 151.7 secs Computing kpt #: 198 total cpu time spent up to now is 152.4 secs Computing kpt #: 199 total cpu time spent up to now is 153.0 secs Computing kpt #: 200 total cpu time spent up to now is 153.9 secs Computing kpt #: 201 total cpu time spent up to now is 154.8 secs Computing kpt #: 202 total cpu time spent up to now is 155.7 secs Computing kpt #: 203 total cpu time spent up to now is 156.6 secs Computing kpt #: 204 total cpu time spent up to now is 157.5 secs Computing kpt #: 205 total cpu time spent up to now is 158.4 secs Computing kpt #: 206 total cpu time spent up to now is 159.3 secs Computing kpt #: 207 total cpu time spent up to now is 160.2 secs Computing kpt #: 208 total cpu time spent up to now is 161.2 secs Computing kpt #: 209 total cpu time spent up to now is 162.1 secs Computing kpt #: 210 total cpu time spent up to now is 163.1 secs Computing kpt #: 211 total cpu time spent up to now is 164.0 secs Computing kpt #: 212 total cpu time spent up to now is 164.9 secs Computing kpt #: 213 total cpu time spent up to now is 165.9 secs Computing kpt #: 214 total cpu time spent up to now is 166.9 secs Computing kpt #: 215 total cpu time spent up to now is 167.8 secs Computing kpt #: 216 total cpu time spent up to now is 168.7 secs Computing kpt #: 217 total cpu time spent up to now is 169.6 secs Computing kpt #: 218 total cpu time spent up to now is 170.5 secs Computing kpt #: 219 total cpu time spent up to now is 171.4 secs Computing kpt #: 220 total cpu time spent up to now is 172.3 secs Computing kpt #: 221 total cpu time spent up to now is 173.2 secs Computing kpt #: 222 total cpu time spent up to now is 174.1 secs Computing kpt #: 223 total cpu time spent up to now is 175.0 secs Computing kpt #: 224 total cpu time spent up to now is 176.0 secs Computing kpt #: 225 total cpu time spent up to now is 177.0 secs Computing kpt #: 226 total cpu time spent up to now is 178.0 secs Computing kpt #: 227 total cpu time spent up to now is 178.9 secs Computing kpt #: 228 total cpu time spent up to now is 179.8 secs Computing kpt #: 229 total cpu time spent up to now is 180.8 secs Computing kpt #: 230 total cpu time spent up to now is 181.7 secs Computing kpt #: 231 total cpu time spent up to now is 182.7 secs Computing kpt #: 232 total cpu time spent up to now is 183.6 secs Computing kpt #: 233 total cpu time spent up to now is 184.6 secs Computing kpt #: 234 total cpu time spent up to now is 185.5 secs Computing kpt #: 235 total cpu time spent up to now is 186.4 secs Computing kpt #: 236 total cpu time spent up to now is 187.4 secs Computing kpt #: 237 total cpu time spent up to now is 188.4 secs Computing kpt #: 238 total cpu time spent up to now is 189.3 secs Computing kpt #: 239 total cpu time spent up to now is 190.3 secs Computing kpt #: 240 total cpu time spent up to now is 191.2 secs Computing kpt #: 241 total cpu time spent up to now is 192.2 secs Computing kpt #: 242 total cpu time spent up to now is 193.2 secs Computing kpt #: 243 total cpu time spent up to now is 194.1 secs Computing kpt #: 244 total cpu time spent up to now is 195.1 secs Computing kpt #: 245 total cpu time spent up to now is 196.1 secs Computing kpt #: 246 total cpu time spent up to now is 197.0 secs Computing kpt #: 247 total cpu time spent up to now is 198.0 secs Computing kpt #: 248 total cpu time spent up to now is 198.8 secs Computing kpt #: 249 total cpu time spent up to now is 199.7 secs Computing kpt #: 250 total cpu time spent up to now is 200.6 secs Computing kpt #: 251 total cpu time spent up to now is 201.5 secs Computing kpt #: 252 total cpu time spent up to now is 202.3 secs Computing kpt #: 253 total cpu time spent up to now is 203.2 secs Computing kpt #: 254 total cpu time spent up to now is 204.0 secs Computing kpt #: 255 total cpu time spent up to now is 204.8 secs Computing kpt #: 256 total cpu time spent up to now is 205.7 secs Computing kpt #: 257 total cpu time spent up to now is 206.5 secs Computing kpt #: 258 total cpu time spent up to now is 207.4 secs Computing kpt #: 259 total cpu time spent up to now is 208.3 secs Computing kpt #: 260 total cpu time spent up to now is 209.2 secs Computing kpt #: 261 total cpu time spent up to now is 210.2 secs Computing kpt #: 262 total cpu time spent up to now is 211.1 secs Computing kpt #: 263 total cpu time spent up to now is 212.0 secs Computing kpt #: 264 total cpu time spent up to now is 212.9 secs Computing kpt #: 265 total cpu time spent up to now is 213.7 secs Computing kpt #: 266 total cpu time spent up to now is 214.5 secs Computing kpt #: 267 total cpu time spent up to now is 215.4 secs Computing kpt #: 268 total cpu time spent up to now is 216.3 secs Computing kpt #: 269 total cpu time spent up to now is 217.0 secs Computing kpt #: 270 total cpu time spent up to now is 217.8 secs Computing kpt #: 271 total cpu time spent up to now is 218.6 secs Computing kpt #: 272 total cpu time spent up to now is 219.4 secs Computing kpt #: 273 total cpu time spent up to now is 220.3 secs Computing kpt #: 274 total cpu time spent up to now is 221.0 secs Computing kpt #: 275 total cpu time spent up to now is 222.0 secs Computing kpt #: 276 total cpu time spent up to now is 222.9 secs Computing kpt #: 277 total cpu time spent up to now is 223.9 secs Computing kpt #: 278 total cpu time spent up to now is 224.8 secs Computing kpt #: 279 total cpu time spent up to now is 225.7 secs Computing kpt #: 280 total cpu time spent up to now is 226.6 secs Computing kpt #: 281 total cpu time spent up to now is 227.5 secs Computing kpt #: 282 total cpu time spent up to now is 228.5 secs Computing kpt #: 283 total cpu time spent up to now is 229.4 secs Computing kpt #: 284 total cpu time spent up to now is 230.4 secs Computing kpt #: 285 total cpu time spent up to now is 231.2 secs Computing kpt #: 286 total cpu time spent up to now is 232.1 secs Computing kpt #: 287 total cpu time spent up to now is 233.0 secs Computing kpt #: 288 total cpu time spent up to now is 233.9 secs Computing kpt #: 289 total cpu time spent up to now is 234.8 secs Computing kpt #: 290 total cpu time spent up to now is 235.6 secs Computing kpt #: 291 total cpu time spent up to now is 236.4 secs Computing kpt #: 292 total cpu time spent up to now is 237.1 secs Computing kpt #: 293 total cpu time spent up to now is 237.8 secs Computing kpt #: 294 total cpu time spent up to now is 238.5 secs Computing kpt #: 295 total cpu time spent up to now is 239.2 secs Computing kpt #: 296 total cpu time spent up to now is 239.8 secs Computing kpt #: 297 total cpu time spent up to now is 240.5 secs Computing kpt #: 298 total cpu time spent up to now is 241.1 secs Computing kpt #: 299 total cpu time spent up to now is 241.8 secs Computing kpt #: 300 total cpu time spent up to now is 242.4 secs Computing kpt #: 301 total cpu time spent up to now is 243.0 secs Computing kpt #: 302 total cpu time spent up to now is 243.6 secs Computing kpt #: 303 total cpu time spent up to now is 244.2 secs Computing kpt #: 304 total cpu time spent up to now is 244.8 secs Computing kpt #: 305 total cpu time spent up to now is 245.5 secs Computing kpt #: 306 total cpu time spent up to now is 246.1 secs Computing kpt #: 307 total cpu time spent up to now is 246.7 secs Computing kpt #: 308 total cpu time spent up to now is 247.4 secs Computing kpt #: 309 total cpu time spent up to now is 248.0 secs Computing kpt #: 310 total cpu time spent up to now is 248.6 secs Computing kpt #: 311 total cpu time spent up to now is 249.3 secs Computing kpt #: 312 total cpu time spent up to now is 250.0 secs Computing kpt #: 313 total cpu time spent up to now is 250.6 secs Computing kpt #: 314 total cpu time spent up to now is 251.3 secs Computing kpt #: 315 total cpu time spent up to now is 252.0 secs Computing kpt #: 316 total cpu time spent up to now is 252.7 secs Computing kpt #: 317 total cpu time spent up to now is 253.4 secs Computing kpt #: 318 total cpu time spent up to now is 254.2 secs Computing kpt #: 319 total cpu time spent up to now is 254.9 secs Computing kpt #: 320 total cpu time spent up to now is 255.7 secs Computing kpt #: 321 total cpu time spent up to now is 256.4 secs Computing kpt #: 322 total cpu time spent up to now is 257.1 secs Computing kpt #: 323 total cpu time spent up to now is 257.8 secs Computing kpt #: 324 total cpu time spent up to now is 258.5 secs Computing kpt #: 325 total cpu time spent up to now is 259.3 secs Computing kpt #: 326 total cpu time spent up to now is 259.9 secs Computing kpt #: 327 total cpu time spent up to now is 260.5 secs Computing kpt #: 328 total cpu time spent up to now is 261.1 secs Computing kpt #: 329 total cpu time spent up to now is 261.7 secs Computing kpt #: 330 total cpu time spent up to now is 262.4 secs Computing kpt #: 331 total cpu time spent up to now is 263.0 secs Computing kpt #: 332 total cpu time spent up to now is 263.6 secs Computing kpt #: 333 total cpu time spent up to now is 264.2 secs Computing kpt #: 334 total cpu time spent up to now is 264.9 secs Computing kpt #: 335 total cpu time spent up to now is 265.5 secs Computing kpt #: 336 total cpu time spent up to now is 266.1 secs Computing kpt #: 337 total cpu time spent up to now is 266.8 secs Computing kpt #: 338 total cpu time spent up to now is 267.4 secs Computing kpt #: 339 total cpu time spent up to now is 268.0 secs Computing kpt #: 340 total cpu time spent up to now is 268.7 secs Computing kpt #: 341 total cpu time spent up to now is 269.4 secs Computing kpt #: 342 total cpu time spent up to now is 270.1 secs Computing kpt #: 343 total cpu time spent up to now is 270.8 secs Computing kpt #: 344 total cpu time spent up to now is 271.6 secs Computing kpt #: 345 total cpu time spent up to now is 272.3 secs Computing kpt #: 346 total cpu time spent up to now is 273.0 secs Computing kpt #: 347 total cpu time spent up to now is 273.8 secs Computing kpt #: 348 total cpu time spent up to now is 274.5 secs Computing kpt #: 349 total cpu time spent up to now is 275.3 secs Computing kpt #: 350 total cpu time spent up to now is 276.0 secs Computing kpt #: 351 total cpu time spent up to now is 276.8 secs Computing kpt #: 352 total cpu time spent up to now is 277.6 secs Computing kpt #: 353 total cpu time spent up to now is 278.3 secs Computing kpt #: 354 total cpu time spent up to now is 279.0 secs Computing kpt #: 355 total cpu time spent up to now is 279.7 secs Computing kpt #: 356 total cpu time spent up to now is 280.4 secs Computing kpt #: 357 total cpu time spent up to now is 281.0 secs Computing kpt #: 358 total cpu time spent up to now is 281.7 secs Computing kpt #: 359 total cpu time spent up to now is 282.3 secs Computing kpt #: 360 total cpu time spent up to now is 283.0 secs Computing kpt #: 361 total cpu time spent up to now is 283.6 secs Computing kpt #: 362 total cpu time spent up to now is 284.3 secs Computing kpt #: 363 total cpu time spent up to now is 284.9 secs Computing kpt #: 364 total cpu time spent up to now is 285.5 secs Computing kpt #: 365 total cpu time spent up to now is 286.2 secs Computing kpt #: 366 total cpu time spent up to now is 286.8 secs Computing kpt #: 367 total cpu time spent up to now is 287.4 secs Computing kpt #: 368 total cpu time spent up to now is 288.0 secs Computing kpt #: 369 total cpu time spent up to now is 288.9 secs Computing kpt #: 370 total cpu time spent up to now is 289.7 secs Computing kpt #: 371 total cpu time spent up to now is 290.5 secs Computing kpt #: 372 total cpu time spent up to now is 291.2 secs Computing kpt #: 373 total cpu time spent up to now is 292.0 secs Computing kpt #: 374 total cpu time spent up to now is 292.8 secs Computing kpt #: 375 total cpu time spent up to now is 293.5 secs Computing kpt #: 376 total cpu time spent up to now is 294.3 secs Computing kpt #: 377 total cpu time spent up to now is 295.1 secs Computing kpt #: 378 total cpu time spent up to now is 295.9 secs Computing kpt #: 379 total cpu time spent up to now is 296.7 secs Computing kpt #: 380 total cpu time spent up to now is 297.4 secs Computing kpt #: 381 total cpu time spent up to now is 298.2 secs Computing kpt #: 382 total cpu time spent up to now is 298.9 secs Computing kpt #: 383 total cpu time spent up to now is 299.7 secs Computing kpt #: 384 total cpu time spent up to now is 300.5 secs Computing kpt #: 385 total cpu time spent up to now is 301.2 secs Computing kpt #: 386 total cpu time spent up to now is 301.9 secs Computing kpt #: 387 total cpu time spent up to now is 302.6 secs Computing kpt #: 388 total cpu time spent up to now is 303.3 secs Computing kpt #: 389 total cpu time spent up to now is 304.0 secs Computing kpt #: 390 total cpu time spent up to now is 304.7 secs Computing kpt #: 391 total cpu time spent up to now is 305.4 secs Computing kpt #: 392 total cpu time spent up to now is 306.0 secs Computing kpt #: 393 total cpu time spent up to now is 306.7 secs Computing kpt #: 394 total cpu time spent up to now is 307.3 secs Computing kpt #: 395 total cpu time spent up to now is 308.0 secs Computing kpt #: 396 total cpu time spent up to now is 308.6 secs Computing kpt #: 397 total cpu time spent up to now is 309.5 secs Computing kpt #: 398 total cpu time spent up to now is 310.3 secs Computing kpt #: 399 total cpu time spent up to now is 311.2 secs Computing kpt #: 400 total cpu time spent up to now is 312.0 secs Computing kpt #: 401 total cpu time spent up to now is 313.0 secs Computing kpt #: 402 total cpu time spent up to now is 313.8 secs Computing kpt #: 403 total cpu time spent up to now is 314.8 secs Computing kpt #: 404 total cpu time spent up to now is 315.7 secs Computing kpt #: 405 total cpu time spent up to now is 316.7 secs Computing kpt #: 406 total cpu time spent up to now is 317.7 secs Computing kpt #: 407 total cpu time spent up to now is 318.6 secs Computing kpt #: 408 total cpu time spent up to now is 319.6 secs Computing kpt #: 409 total cpu time spent up to now is 320.6 secs Computing kpt #: 410 total cpu time spent up to now is 321.5 secs Computing kpt #: 411 total cpu time spent up to now is 322.5 secs Computing kpt #: 412 total cpu time spent up to now is 323.5 secs Computing kpt #: 413 total cpu time spent up to now is 324.4 secs Computing kpt #: 414 total cpu time spent up to now is 325.4 secs Computing kpt #: 415 total cpu time spent up to now is 326.4 secs Computing kpt #: 416 total cpu time spent up to now is 327.4 secs Computing kpt #: 417 total cpu time spent up to now is 328.4 secs Computing kpt #: 418 total cpu time spent up to now is 329.4 secs Computing kpt #: 419 total cpu time spent up to now is 330.4 secs Computing kpt #: 420 total cpu time spent up to now is 331.3 secs Computing kpt #: 421 total cpu time spent up to now is 333.0 secs Computing kpt #: 422 total cpu time spent up to now is 335.1 secs Computing kpt #: 423 total cpu time spent up to now is 336.7 secs Computing kpt #: 424 total cpu time spent up to now is 337.3 secs Computing kpt #: 425 total cpu time spent up to now is 338.2 secs Computing kpt #: 426 total cpu time spent up to now is 339.0 secs Computing kpt #: 427 total cpu time spent up to now is 339.8 secs Computing kpt #: 428 total cpu time spent up to now is 340.5 secs Computing kpt #: 429 total cpu time spent up to now is 341.3 secs Computing kpt #: 430 total cpu time spent up to now is 342.1 secs Computing kpt #: 431 total cpu time spent up to now is 342.8 secs Computing kpt #: 432 total cpu time spent up to now is 343.5 secs Computing kpt #: 433 total cpu time spent up to now is 344.3 secs Computing kpt #: 434 total cpu time spent up to now is 345.1 secs Computing kpt #: 435 total cpu time spent up to now is 345.9 secs Computing kpt #: 436 total cpu time spent up to now is 346.8 secs Computing kpt #: 437 total cpu time spent up to now is 347.6 secs Computing kpt #: 438 total cpu time spent up to now is 348.5 secs Computing kpt #: 439 total cpu time spent up to now is 349.5 secs Computing kpt #: 440 total cpu time spent up to now is 350.4 secs Computing kpt #: 441 total cpu time spent up to now is 351.4 secs Computing kpt #: 442 total cpu time spent up to now is 352.3 secs Computing kpt #: 443 total cpu time spent up to now is 353.4 secs Computing kpt #: 444 total cpu time spent up to now is 354.3 secs Computing kpt #: 445 total cpu time spent up to now is 355.3 secs Computing kpt #: 446 total cpu time spent up to now is 356.2 secs Computing kpt #: 447 total cpu time spent up to now is 357.2 secs Computing kpt #: 448 total cpu time spent up to now is 358.2 secs Computing kpt #: 449 total cpu time spent up to now is 359.2 secs Computing kpt #: 450 total cpu time spent up to now is 360.1 secs Computing kpt #: 451 total cpu time spent up to now is 361.1 secs Computing kpt #: 452 total cpu time spent up to now is 362.0 secs ethr = 2.63E-11, avg # of iterations = 31.0 total cpu time spent up to now is 362.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3303 PWs) bands (ev): -4.1655 -4.1655 -1.3766 -1.3766 -0.3572 -0.3572 0.3257 0.3257 3.9482 3.9482 5.0982 5.0982 6.4253 6.4253 6.6195 6.6195 7.4244 7.4244 7.4768 7.4768 8.2098 8.2098 8.2340 8.2340 8.4601 8.4601 8.8254 8.8254 9.1619 9.1619 9.1942 9.1942 9.3022 9.3022 9.4421 9.4421 10.5094 10.5094 11.2433 11.2433 13.2151 13.2151 14.7681 14.7681 14.7986 14.7986 k = 0.0098-0.0000-0.0000 ( 3299 PWs) bands (ev): -4.1642 -4.1642 -1.3757 -1.3757 -0.3562 -0.3562 0.3265 0.3265 3.9496 3.9496 5.0992 5.0992 6.4248 6.4248 6.6204 6.6204 7.4248 7.4248 7.4765 7.4765 8.2103 8.2103 8.2347 8.2347 8.4577 8.4577 8.8250 8.8250 9.1609 9.1609 9.1933 9.1933 9.3016 9.3016 9.4404 9.4404 10.5027 10.5027 11.2454 11.2454 13.2057 13.2057 14.7485 14.7485 14.8073 14.8073 k = 0.0196-0.0000-0.0000 ( 3309 PWs) bands (ev): -4.1603 -4.1603 -1.3730 -1.3730 -0.3531 -0.3531 0.3292 0.3292 3.9541 3.9541 5.1021 5.1021 6.4233 6.4233 6.6234 6.6234 7.4261 7.4261 7.4757 7.4757 8.2116 8.2116 8.2370 8.2370 8.4500 8.4500 8.8239 8.8239 9.1581 9.1581 9.1904 9.1904 9.2998 9.2998 9.4353 9.4353 10.4831 10.4831 11.2515 11.2515 13.1777 13.1777 14.7052 14.7052 14.8183 14.8183 k = 0.0294-0.0000-0.0000 ( 3299 PWs) bands (ev): -4.1538 -4.1538 -1.3686 -1.3686 -0.3479 -0.3479 0.3335 0.3335 3.9614 3.9614 5.1069 5.1069 6.4208 6.4208 6.6282 6.6282 7.4282 7.4282 7.4743 7.4743 8.2137 8.2137 8.2407 8.2407 8.4372 8.4372 8.8220 8.8220 9.1534 9.1534 9.1859 9.1859 9.2969 9.2969 9.4270 9.4270 10.4525 10.4525 11.2607 11.2607 13.1321 13.1321 14.6439 14.6439 14.8272 14.8272 k = 0.0392-0.0000-0.0000 ( 3299 PWs) bands (ev): -4.1447 -4.1447 -1.3624 -1.3624 -0.3406 -0.3406 0.3396 0.3396 3.9718 3.9718 5.1137 5.1137 6.4173 6.4173 6.6350 6.6350 7.4311 7.4311 7.4724 7.4724 8.2160 8.2160 8.2459 8.2459 8.4189 8.4189 8.8194 8.8194 9.1467 9.1467 9.1794 9.1794 9.2927 9.2927 9.4155 9.4155 10.4133 10.4133 11.2719 11.2719 13.0704 13.0704 14.5659 14.5659 14.8346 14.8346 k = 0.0490-0.0000-0.0000 ( 3303 PWs) bands (ev): -4.1331 -4.1331 -1.3544 -1.3544 -0.3313 -0.3313 0.3474 0.3474 3.9850 3.9850 5.1223 5.1223 6.4128 6.4128 6.6436 6.6436 7.4349 7.4349 7.4701 7.4701 8.2178 8.2178 8.2522 8.2522 8.3954 8.3954 8.8157 8.8157 9.1382 9.1382 9.1712 9.1712 9.2870 9.2870 9.4011 9.4011 10.3685 10.3685 11.2840 11.2840 12.9945 12.9945 14.4732 14.4732 14.8403 14.8403 k = 0.0588-0.0000-0.0000 ( 3295 PWs) bands (ev): -4.1189 -4.1189 -1.3448 -1.3448 -0.3199 -0.3199 0.3568 0.3568 4.0012 4.0012 5.1329 5.1329 6.4073 6.4073 6.6540 6.6540 7.4394 7.4394 7.4673 7.4673 8.2177 8.2177 8.2590 8.2590 8.3678 8.3678 8.8109 8.8109 9.1277 9.1277 9.1613 9.1613 9.2798 9.2798 9.3845 9.3845 10.3208 10.3208 11.2963 11.2963 12.9063 12.9063 14.3680 14.3680 14.8439 14.8439 k = 0.0686-0.0000-0.0000 ( 3303 PWs) bands (ev): -4.1021 -4.1021 -1.3334 -1.3334 -0.3065 -0.3065 0.3680 0.3680 4.0203 4.0203 5.1452 5.1452 6.4009 6.4009 6.6662 6.6662 7.4446 7.4446 7.4643 7.4643 8.2116 8.2116 8.2638 8.2638 8.3409 8.3409 8.8048 8.8048 9.1154 9.1154 9.1498 9.1498 9.2706 9.2706 9.3664 9.3664 10.2726 10.2726 11.3082 11.3082 12.8080 12.8080 14.2530 14.2530 14.8445 14.8445 k = 0.0784-0.0000-0.0000 ( 3299 PWs) bands (ev): -4.0828 -4.0828 -1.3204 -1.3204 -0.2911 -0.2911 0.3809 0.3809 4.0424 4.0424 5.1593 5.1593 6.3936 6.3936 6.6802 6.6802 7.4500 7.4500 7.4614 7.4614 8.1904 8.1904 8.2635 8.2635 8.3264 8.3264 8.7972 8.7972 9.1015 9.1015 9.1368 9.1368 9.2594 9.2594 9.3478 9.3478 10.2262 10.2262 11.3195 11.3195 12.7013 12.7013 14.1303 14.1303 14.8384 14.8384 k = 0.0882-0.0000-0.0000 ( 3295 PWs) bands (ev): -4.0609 -4.0609 -1.3058 -1.3058 -0.2736 -0.2736 0.3953 0.3953 4.0673 4.0673 5.1752 5.1752 6.3853 6.3853 6.6958 6.6958 7.4529 7.4529 7.4615 7.4615 8.1449 8.1449 8.2609 8.2609 8.3292 8.3292 8.7877 8.7877 9.0859 9.0859 9.1224 9.1224 9.2459 9.2459 9.3298 9.3298 10.1830 10.1830 11.3298 11.3298 12.5883 12.5883 14.0022 14.0022 14.7648 14.7648 k = 0.0980-0.0000-0.0000 ( 3295 PWs) bands (ev): -4.0364 -4.0364 -1.2897 -1.2897 -0.2542 -0.2542 0.4114 0.4114 4.0951 4.0951 5.1927 5.1927 6.3761 6.3761 6.7129 6.7129 7.4502 7.4502 7.4676 7.4676 8.0782 8.0782 8.2598 8.2598 8.3415 8.3415 8.7757 8.7757 9.0691 9.0691 9.1068 9.1068 9.2305 9.2305 9.3133 9.3133 10.1438 10.1438 11.3392 11.3392 12.4706 12.4706 13.8703 13.8703 14.6082 14.6082 k = 0.1078-0.0000-0.0000 ( 3291 PWs) bands (ev): -4.0095 -4.0095 -1.2721 -1.2721 -0.2328 -0.2328 0.4291 0.4291 4.1258 4.1258 5.2118 5.2118 6.3661 6.3661 6.7314 6.7314 7.4460 7.4460 7.4757 7.4757 7.9961 7.9961 8.2593 8.2593 8.3583 8.3583 8.7606 8.7606 9.0515 9.0515 9.0904 9.0904 9.2138 9.2138 9.2984 9.2984 10.1093 10.1093 11.3477 11.3477 12.3499 12.3499 13.7364 13.7364 14.4422 14.4422 k = 0.1176-0.0000-0.0000 ( 3299 PWs) bands (ev): -3.9800 -3.9800 -1.2530 -1.2530 -0.2095 -0.2095 0.4484 0.4484 4.1593 4.1593 5.2324 5.2324 6.3552 6.3552 6.7510 6.7510 7.4411 7.4411 7.4848 7.4848 7.9013 7.9013 8.2582 8.2582 8.3777 8.3777 8.7418 8.7418 9.0333 9.0333 9.0735 9.0735 9.1969 9.1969 9.2849 9.2849 10.0792 10.0792 11.3553 11.3553 12.2277 12.2277 13.6019 13.6019 14.2729 14.2729 k = 0.1275-0.0000-0.0000 ( 3305 PWs) bands (ev): -3.9480 -3.9480 -1.2326 -1.2326 -0.1842 -0.1842 0.4691 0.4691 4.1956 4.1956 5.2543 5.2543 6.3435 6.3435 6.7719 6.7719 7.4358 7.4358 7.4946 7.4946 7.7960 7.7960 8.2553 8.2553 8.3987 8.3987 8.7186 8.7186 9.0154 9.0154 9.0565 9.0565 9.1807 9.1807 9.2723 9.2723 10.0533 10.0533 11.3621 11.3621 12.1054 12.1054 13.4681 13.4681 14.1019 14.1019 k = 0.1373-0.0000-0.0000 ( 3305 PWs) bands (ev): -3.9136 -3.9136 -1.2109 -1.2109 -0.1571 -0.1571 0.4913 0.4913 4.2347 4.2347 5.2775 5.2775 6.3310 6.3310 6.7938 6.7938 7.4300 7.4300 7.5052 7.5052 7.6823 7.6823 8.2500 8.2500 8.4211 8.4211 8.6904 8.6904 8.9981 8.9981 9.0399 9.0399 9.1657 9.1657 9.2603 9.2603 10.0313 10.0313 11.3682 11.3682 11.9842 11.9842 13.3360 13.3360 13.9305 13.9305 k = 0.1471-0.0000-0.0000 ( 3305 PWs) bands (ev): -3.8767 -3.8767 -1.1881 -1.1881 -0.1281 -0.1281 0.5149 0.5149 4.2766 4.2766 5.3016 5.3016 6.3178 6.3178 6.8164 6.8164 7.4224 7.4224 7.5163 7.5163 7.5630 7.5630 8.2414 8.2414 8.4437 8.4437 8.6573 8.6573 8.9820 8.9820 9.0242 9.0242 9.1522 9.1522 9.2487 9.2487 10.0127 10.0127 11.3736 11.3736 11.8653 11.8653 13.2066 13.2066 13.7597 13.7597 k = 0.1569-0.0000-0.0000 ( 3301 PWs) bands (ev): -3.8373 -3.8373 -1.1642 -1.1642 -0.0973 -0.0973 0.5399 0.5399 4.3212 4.3212 5.3264 5.3264 6.3038 6.3038 6.8395 6.8395 7.3994 7.3994 7.4534 7.4534 7.5280 7.5280 8.2289 8.2289 8.4647 8.4647 8.6205 8.6205 8.9674 8.9674 9.0100 9.0100 9.1401 9.1401 9.2375 9.2375 9.9969 9.9969 11.3783 11.3783 11.7497 11.7497 13.0809 13.0809 13.5904 13.5904 k = 0.1667-0.0000-0.0000 ( 3289 PWs) bands (ev): -3.7955 -3.7955 -1.1394 -1.1394 -0.0648 -0.0648 0.5663 0.5663 4.3685 4.3685 5.3516 5.3516 6.2891 6.2891 6.8629 6.8629 7.2937 7.2937 7.4230 7.4230 7.5402 7.5402 8.2118 8.2118 8.4774 8.4774 8.5864 8.5864 8.9543 8.9543 8.9977 8.9977 9.1293 9.1293 9.2265 9.2265 9.9836 9.9836 11.3822 11.3822 11.6386 11.6386 12.9596 12.9596 13.4234 13.4234 k = 0.1765-0.0000-0.0000 ( 3289 PWs) bands (ev): -3.7513 -3.7513 -1.1137 -1.1137 -0.0305 -0.0305 0.5938 0.5938 4.4184 4.4184 5.3767 5.3767 6.2737 6.2737 6.8860 6.8860 7.1637 7.1637 7.4148 7.4148 7.5527 7.5527 8.1895 8.1895 8.4632 8.4632 8.5734 8.5734 8.9427 8.9427 8.9876 8.9876 9.1193 9.1193 9.2159 9.2159 9.9723 9.9723 11.3847 11.3847 11.5333 11.5333 12.8434 12.8434 13.2592 13.2592 k = 0.1863-0.0000-0.0000 ( 3287 PWs) bands (ev): -3.7048 -3.7048 -1.0874 -1.0874 0.0054 0.0054 0.6226 0.6226 4.4710 4.4710 5.4011 5.4011 6.2577 6.2577 6.9085 6.9085 7.0317 7.0317 7.4083 7.4083 7.5653 7.5653 8.1615 8.1615 8.4173 8.4173 8.5868 8.5868 8.9324 8.9324 8.9800 8.9800 9.1099 9.1099 9.2060 9.2060 9.9627 9.9627 11.3794 11.3794 11.4407 11.4407 12.7329 12.7329 13.0986 13.0986 k = 0.1961-0.0000-0.0000 ( 3287 PWs) bands (ev): -3.6559 -3.6559 -1.0606 -1.0606 0.0430 0.0430 0.6524 0.6524 4.5261 4.5261 5.4239 5.4239 6.2410 6.2410 6.9008 6.9008 6.9301 6.9301 7.4022 7.4022 7.5779 7.5779 8.1277 8.1277 8.3559 8.3559 8.6109 8.6109 8.9233 8.9233 8.9749 8.9749 9.1003 9.1003 9.1970 9.1970 9.9545 9.9545 11.3217 11.3217 11.4061 11.4061 12.6287 12.6287 12.9422 12.9422 k = 0.2059-0.0000-0.0000 ( 3281 PWs) bands (ev): -3.6047 -3.6047 -1.0334 -1.0334 0.0821 0.0821 0.6833 0.6833 4.5837 4.5837 5.4440 5.4440 6.2237 6.2237 6.7739 6.7739 6.9496 6.9496 7.3961 7.3961 7.5901 7.5901 8.0881 8.0881 8.2870 8.2870 8.6386 8.6386 8.9152 8.9152 8.9724 8.9724 9.0902 9.0902 9.1893 9.1893 9.9475 9.9475 11.2361 11.2361 11.4051 11.4051 12.5312 12.5312 12.7907 12.7907 k = 0.2157-0.0000-0.0000 ( 3279 PWs) bands (ev): -3.5513 -3.5513 -1.0061 -1.0061 0.1227 0.1227 0.7151 0.7151 4.6437 4.6437 5.4594 5.4594 6.2057 6.2057 6.6535 6.6535 6.9665 6.9665 7.3896 7.3896 7.6014 7.6014 8.0429 8.0429 8.2143 8.2143 8.6678 8.6678 8.9076 8.9076 8.9722 8.9722 9.0790 9.0790 9.1830 9.1830 9.9415 9.9415 11.1530 11.1530 11.4074 11.4074 12.4408 12.4408 12.6445 12.6445 k = 0.2255-0.0000-0.0000 ( 3287 PWs) bands (ev): -3.4956 -3.4956 -0.9789 -0.9789 0.1647 0.1647 0.7478 0.7478 4.7061 4.7061 5.4681 5.4681 6.1871 6.1871 6.5428 6.5428 6.9797 6.9797 7.3826 7.3826 7.6110 7.6110 7.9924 7.9924 8.1405 8.1405 8.6975 8.6975 8.9006 8.9006 8.9741 8.9741 9.0664 9.0664 9.1784 9.1784 9.9362 9.9362 11.0750 11.0750 11.4104 11.4104 12.3576 12.3576 12.5045 12.5045 k = 0.2353-0.0000-0.0000 ( 3283 PWs) bands (ev): -3.4377 -3.4377 -0.9520 -0.9520 0.2080 0.2080 0.7811 0.7811 4.7706 4.7706 5.4670 5.4670 6.1679 6.1679 6.4456 6.4456 6.9877 6.9877 7.3747 7.3747 7.6177 7.6177 7.9375 7.9375 8.0690 8.0690 8.7271 8.7271 8.8941 8.8941 8.9776 8.9776 9.0524 9.0524 9.1756 9.1756 9.9317 9.9317 11.0025 11.0025 11.4137 11.4137 12.2818 12.2818 12.3716 12.3716 k = 0.2451-0.0000-0.0000 ( 3283 PWs) bands (ev): -3.3777 -3.3777 -0.9256 -0.9256 0.2526 0.2526 0.8152 0.8152 4.8370 4.8370 5.4529 5.4529 6.1482 6.1482 6.3659 6.3659 6.9885 6.9885 7.3652 7.3652 7.6195 7.6195 7.8795 7.8795 8.0035 8.0035 8.7561 8.7561 8.8879 8.8879 8.9818 8.9818 9.0376 9.0376 9.1742 9.1742 9.9275 9.9275 10.9351 10.9351 11.4173 11.4173 12.2105 12.2105 12.2492 12.2492 k = 0.2549-0.0000-0.0000 ( 3285 PWs) bands (ev): -3.3156 -3.3156 -0.9001 -0.9001 0.2983 0.2983 0.8497 0.8497 4.9050 4.9050 5.4232 5.4232 6.1285 6.1285 6.3067 6.3067 6.9799 6.9799 7.3533 7.3533 7.6140 7.6140 7.8207 7.8207 7.9483 7.9483 8.7839 8.7839 8.8822 8.8822 8.9843 8.9843 9.0237 9.0237 9.1743 9.1743 9.9238 9.9238 10.8727 10.8727 11.4209 11.4209 12.1180 12.1180 12.1639 12.1639 k = 0.2647-0.0000-0.0000 ( 3275 PWs) bands (ev): -3.2515 -3.2515 -0.8756 -0.8756 0.3451 0.3451 0.8846 0.8846 4.9738 4.9738 5.3778 5.3778 6.1093 6.1093 6.2690 6.2690 6.9590 6.9590 7.3378 7.3378 7.5994 7.5994 7.7643 7.7643 7.9070 7.9070 8.8094 8.8094 8.8775 8.8775 8.9798 8.9798 9.0164 9.0164 9.1757 9.1757 9.9206 9.9206 10.8148 10.8148 11.4248 11.4248 12.0106 12.0106 12.1100 12.1100 k = 0.2745-0.0000-0.0000 ( 3279 PWs) bands (ev): -3.1853 -3.1853 -0.8526 -0.8526 0.3928 0.3928 0.9197 0.9197 5.0407 5.0407 5.3210 5.3210 6.0910 6.0910 6.2511 6.2511 6.9232 6.9232 7.3167 7.3167 7.5772 7.5772 7.7125 7.7125 7.8809 7.8809 8.8302 8.8302 8.8753 8.8753 8.9657 8.9657 9.0183 9.0183 9.1781 9.1781 9.9174 9.9174 10.7609 10.7609 11.4290 11.4290 11.9099 11.9099 12.0666 12.0666 k = 0.2843-0.0000-0.0000 ( 3283 PWs) bands (ev): -3.1173 -3.1173 -0.8314 -0.8314 0.4413 0.4413 0.9549 0.9549 5.0951 5.0951 5.2672 5.2672 6.0733 6.0733 6.2502 6.2502 6.8710 6.8710 7.2879 7.2879 7.5523 7.5523 7.6672 7.6672 7.8678 7.8678 8.8405 8.8405 8.8795 8.8795 8.9485 8.9485 9.0244 9.0244 9.1813 9.1813 9.9143 9.9143 10.7105 10.7105 11.4334 11.4334 11.8182 11.8182 12.0317 12.0317 k = 0.2941-0.0000-0.0000 ( 3285 PWs) bands (ev): -3.0474 -3.0474 -0.8123 -0.8123 0.4906 0.4906 0.9900 0.9900 5.0948 5.0948 5.2629 5.2629 6.0555 6.0555 6.2631 6.2631 6.8024 6.8024 7.2492 7.2492 7.5299 7.5299 7.6300 7.6300 7.8635 7.8635 8.8376 8.8376 8.8875 8.8875 8.9362 8.9362 9.0317 9.0317 9.1854 9.1854 9.9114 9.9114 10.6633 10.6633 11.4382 11.4382 11.7365 11.7365 12.0048 12.0048 k = 0.3039-0.0000-0.0000 ( 3285 PWs) bands (ev): -2.9757 -2.9757 -0.7956 -0.7956 0.5404 0.5404 1.0249 1.0249 5.0331 5.0331 5.3184 5.3184 6.0376 6.0376 6.2865 6.2865 6.7195 6.7195 7.2000 7.2000 7.5126 7.5126 7.6019 7.6019 7.8636 7.8636 8.8246 8.8246 8.8876 8.8876 8.9381 8.9381 9.0393 9.0393 9.1900 9.1900 9.9085 9.9085 10.6186 10.6186 11.4434 11.4434 11.6653 11.6653 11.9857 11.9857 k = 0.3137-0.0000-0.0000 ( 3289 PWs) bands (ev): -2.9024 -2.9024 -0.7818 -0.7818 0.5906 0.5906 1.0593 1.0593 4.9546 4.9546 5.3923 5.3923 6.0197 6.0197 6.3175 6.3175 6.6251 6.6251 7.1414 7.1414 7.5003 7.5003 7.5826 7.5826 7.8653 7.8653 8.8024 8.8024 8.8830 8.8830 8.9506 8.9506 9.0464 9.0464 9.1951 9.1951 9.9057 9.9057 10.5761 10.5761 11.4489 11.4489 11.6049 11.6049 11.9740 11.9740 k = 0.3235-0.0000-0.0000 ( 3291 PWs) bands (ev): -2.8274 -2.8274 -0.7712 -0.7712 0.6410 0.6410 1.0932 1.0932 4.8739 4.8739 5.4722 5.4722 6.0019 6.0019 6.3537 6.3537 6.5227 6.5227 7.0752 7.0752 7.4920 7.4920 7.5709 7.5709 7.8663 7.8663 8.7723 8.7723 8.8809 8.8809 8.9655 8.9655 9.0531 9.0531 9.2006 9.2006 9.9029 9.9029 10.5353 10.5353 11.4550 11.4550 11.5556 11.5556 11.9695 11.9695 k = 0.3333-0.0000-0.0000 ( 3287 PWs) bands (ev): -2.7510 -2.7510 -0.7641 -0.7641 0.6915 0.6915 1.1262 1.1262 4.7956 4.7956 5.5552 5.5552 5.9845 5.9845 6.3831 6.3831 6.4252 6.4252 7.0038 7.0038 7.4861 7.4861 7.5652 7.5652 7.8653 7.8653 8.7363 8.7363 8.8826 8.8826 8.9799 8.9799 9.0591 9.0591 9.2063 9.2063 9.9001 9.9001 10.4960 10.4960 11.4616 11.4616 11.5176 11.5176 11.9718 11.9718 k = 0.3431-0.0000-0.0000 ( 3303 PWs) bands (ev): -2.6731 -2.6731 -0.7611 -0.7611 0.7419 0.7419 1.1581 1.1581 4.7219 4.7219 5.6402 5.6402 5.9677 5.9677 6.2943 6.2943 6.4451 6.4451 6.9291 6.9291 7.4814 7.4814 7.5644 7.5644 7.8610 7.8610 8.6961 8.6961 8.8874 8.8874 8.9932 8.9932 9.0641 9.0641 9.2120 9.2120 9.8971 9.8971 10.4576 10.4576 11.4685 11.4685 11.4909 11.4909 11.9803 11.9803 k = 0.3529-0.0000-0.0000 ( 3301 PWs) bands (ev): -2.5940 -2.5940 -0.7623 -0.7623 0.7919 0.7919 1.1888 1.1888 4.6542 4.6542 5.7264 5.7264 5.9516 5.9516 6.1799 6.1799 6.4907 6.4907 6.8529 6.8529 7.4769 7.4769 7.5675 7.5675 7.8525 7.8525 8.6526 8.6526 8.8954 8.8954 9.0051 9.0051 9.0683 9.0683 9.2178 9.2178 9.8944 9.8944 10.4201 10.4201 11.4718 11.4718 11.4795 11.4795 11.9946 11.9946 k = 0.3627-0.0000-0.0000 ( 3299 PWs) bands (ev): -2.5138 -2.5138 -0.7682 -0.7682 0.8415 0.8415 1.2180 1.2180 4.5936 4.5936 5.8129 5.8129 5.9367 5.9367 6.0643 6.0643 6.5389 6.5389 6.7764 6.7764 7.4719 7.4719 7.5740 7.5740 7.8393 7.8393 8.6063 8.6063 8.9061 8.9061 9.0158 9.0158 9.0717 9.0717 9.2235 9.2235 9.8919 9.8919 10.3832 10.3832 11.4677 11.4677 11.4866 11.4866 12.0140 12.0140 k = 0.3725-0.0000-0.0000 ( 3295 PWs) bands (ev): -2.4325 -2.4325 -0.7789 -0.7789 0.8903 0.8903 1.2455 1.2455 4.5409 4.5409 5.8886 5.8886 5.9225 5.9225 5.9603 5.9603 6.5878 6.5878 6.7013 6.7013 7.4657 7.4657 7.5834 7.5834 7.8209 7.8209 8.5580 8.5580 8.9195 8.9195 9.0254 9.0254 9.0743 9.0743 9.2289 9.2289 9.8894 9.8894 10.3468 10.3468 11.4720 11.4720 11.4961 11.4961 12.0379 12.0379 k = 0.3824-0.0000-0.0000 ( 3290 PWs) bands (ev): -2.3504 -2.3504 -0.7948 -0.7948 0.9381 0.9381 1.2710 1.2710 4.4965 4.4965 5.8203 5.8203 5.9099 5.9099 6.0013 6.0013 6.6150 6.6150 6.6503 6.6503 7.4580 7.4580 7.5954 7.5954 7.7971 7.7971 8.5079 8.5079 8.9350 8.9350 9.0342 9.0342 9.0761 9.0761 9.2338 9.2338 9.8873 9.8873 10.3107 10.3107 11.4852 11.4852 11.5070 11.5070 12.0653 12.0653 k = 0.3922-0.0000-0.0000 ( 3290 PWs) bands (ev): -2.2676 -2.2676 -0.8159 -0.8159 0.9847 0.9847 1.2943 1.2943 4.4611 4.4611 5.7072 5.7072 5.8994 5.8994 6.0880 6.0880 6.5506 6.5506 6.6941 6.6941 7.4483 7.4483 7.6098 7.6098 7.7677 7.7677 8.4565 8.4565 8.9522 8.9522 9.0425 9.0425 9.0771 9.0771 9.2383 9.2383 9.8854 9.8854 10.2750 10.2750 11.5056 11.5056 11.5203 11.5203 12.0953 12.0953 k = 0.4020-0.0000-0.0000 ( 3298 PWs) bands (ev): -2.1843 -2.1843 -0.8425 -0.8425 1.0298 1.0298 1.3151 1.3151 4.4348 4.4348 5.5940 5.5940 5.8907 5.8907 6.1755 6.1755 6.4834 6.4834 6.7449 6.7449 7.4365 7.4365 7.6265 7.6265 7.7330 7.7330 8.4043 8.4043 8.9702 8.9702 9.0508 9.0508 9.0775 9.0775 9.2420 9.2420 9.8842 9.8842 10.2396 10.2396 11.5261 11.5261 11.5425 11.5425 12.1263 12.1263 k = 0.4118-0.0000-0.0000 ( 3290 PWs) bands (ev): -2.1007 -2.1007 -0.8744 -0.8744 1.0732 1.0732 1.3332 1.3332 4.4178 4.4178 5.4830 5.4830 5.8842 5.8842 6.2572 6.2572 6.4252 6.4252 6.7961 6.7961 7.4221 7.4221 7.6449 7.6449 7.6936 7.6936 8.3518 8.3518 8.9881 8.9881 9.0598 9.0598 9.0774 9.0774 9.2450 9.2450 9.8837 9.8837 10.2048 10.2048 11.5419 11.5419 11.5778 11.5778 12.1566 12.1566 k = 0.4216-0.0000-0.0000 ( 3290 PWs) bands (ev): -2.0171 -2.0171 -0.9116 -0.9116 1.1146 1.1146 1.3485 1.3485 4.4103 4.4103 5.3748 5.3748 5.8801 5.8801 6.2986 6.2986 6.4106 6.4106 6.8470 6.8470 7.4050 7.4050 7.6444 7.6444 7.6705 7.6705 8.2992 8.2992 9.0046 9.0046 9.0699 9.0699 9.0774 9.0774 9.2470 9.2470 9.8841 9.8841 10.1707 10.1707 11.5578 11.5578 11.6208 11.6208 12.1567 12.1567 k = 0.4314-0.0000-0.0000 ( 3296 PWs) bands (ev): -1.9336 -1.9336 -0.9541 -0.9541 1.1538 1.1538 1.3606 1.3606 4.4122 4.4122 5.2700 5.2700 5.8788 5.8788 6.2642 6.2642 6.4751 6.4751 6.8972 6.8972 7.3847 7.3847 7.5970 7.5970 7.6920 7.6920 8.2472 8.2472 9.0185 9.0185 9.0743 9.0743 9.0852 9.0852 9.2477 9.2477 9.8857 9.8857 10.1375 10.1375 11.5748 11.5748 11.6694 11.6694 12.0913 12.0913 k = 0.4412-0.0000-0.0000 ( 3288 PWs) bands (ev): -1.8504 -1.8504 -1.0017 -1.0017 1.1905 1.1905 1.3694 1.3694 4.4234 4.4234 5.1691 5.1691 5.8805 5.8805 6.2132 6.2132 6.5596 6.5596 6.9464 6.9464 7.3610 7.3610 7.5442 7.5442 7.7176 7.7176 8.1961 8.1961 9.0292 9.0292 9.0732 9.0732 9.1010 9.1010 9.2471 9.2471 9.8888 9.8888 10.1055 10.1055 11.5934 11.5934 11.7227 11.7227 12.0293 12.0293 k = 0.4510-0.0000-0.0000 ( 3288 PWs) bands (ev): -1.7680 -1.7680 -1.0541 -1.0541 1.2244 1.2244 1.3747 1.3747 4.4436 4.4436 5.0726 5.0726 5.8855 5.8855 6.1627 6.1627 6.6467 6.6467 6.9943 6.9943 7.3330 7.3330 7.4885 7.4885 7.7457 7.7457 8.1460 8.1460 9.0372 9.0372 9.0716 9.0716 9.1190 9.1190 9.2450 9.2450 9.8936 9.8936 10.0748 10.0748 11.6139 11.6139 11.7796 11.7796 11.9722 11.9722 k = 0.4608-0.0000-0.0000 ( 3288 PWs) bands (ev): -1.6865 -1.6865 -1.1110 -1.1110 1.2553 1.2553 1.3764 1.3764 4.4728 4.4728 4.9809 4.9809 5.8941 5.8941 6.1154 6.1154 6.7337 6.7337 7.0403 7.0403 7.2999 7.2999 7.4318 7.4318 7.7760 7.7760 8.0972 8.0972 9.0433 9.0433 9.0695 9.0695 9.1378 9.1378 9.2410 9.2410 9.9005 9.9005 10.0459 10.0459 11.6364 11.6364 11.8391 11.8391 11.9198 11.9198 k = 0.4706-0.0000-0.0000 ( 3290 PWs) bands (ev): -1.6064 -1.6064 -1.1721 -1.1721 1.2831 1.2831 1.3744 1.3744 4.5104 4.5104 4.8945 4.8945 5.9066 5.9066 6.0722 6.0722 6.8191 6.8191 7.0833 7.0833 7.2608 7.2608 7.3766 7.3766 7.8087 7.8087 8.0501 8.0501 9.0482 9.0482 9.0672 9.0672 9.1564 9.1564 9.2350 9.2350 9.9096 9.9096 10.0190 10.0190 11.6611 11.6611 11.8715 11.8715 11.9005 11.9005 k = 0.4804-0.0000-0.0000 ( 3286 PWs) bands (ev): -1.5278 -1.5278 -1.2370 -1.2370 1.3075 1.3075 1.3686 1.3686 4.5563 4.5563 4.8137 4.8137 5.9232 5.9232 6.0333 6.0333 6.9020 6.9020 7.1172 7.1172 7.2196 7.2196 7.3254 7.3254 7.8435 7.8435 8.0047 8.0047 9.0523 9.0523 9.0647 9.0647 9.1740 9.1740 9.2270 9.2270 9.9213 9.9213 9.9943 9.9943 11.6884 11.6884 11.8278 11.8278 11.9617 11.9617 k = 0.4902-0.0000-0.0000 ( 3284 PWs) bands (ev): -1.4512 -1.4512 -1.3055 -1.3055 1.3284 1.3284 1.3590 1.3590 4.6100 4.6100 4.7391 4.7391 5.9440 5.9440 5.9990 5.9990 6.9811 6.9811 7.1106 7.1106 7.2079 7.2079 7.2792 7.2792 7.8806 7.8806 7.9613 7.9613 9.0558 9.0558 9.0620 9.0620 9.1901 9.1901 9.2168 9.2168 9.9356 9.9356 9.9722 9.9722 11.7185 11.7185 11.7879 11.7879 12.0216 12.0216 k = 0.5000-0.0000-0.0000 ( 3284 PWs) bands (ev): -1.3770 -1.3770 -1.3770 -1.3770 1.3456 1.3456 1.3456 1.3456 4.6710 4.6710 4.6710 4.6710 5.9693 5.9693 5.9693 5.9693 7.0538 7.0538 7.0538 7.0538 7.2381 7.2381 7.2381 7.2381 7.9199 7.9199 7.9199 7.9199 9.0591 9.0591 9.0591 9.0591 9.2044 9.2044 9.2044 9.2044 9.9525 9.9525 9.9525 9.9525 11.7515 11.7515 11.7515 11.7515 12.0783 12.0783 k = 0.5000-0.0000-0.0000 ( 3284 PWs) bands (ev): -1.3770 -1.3770 -1.3770 -1.3770 1.3456 1.3456 1.3456 1.3456 4.6710 4.6710 4.6710 4.6710 5.9693 5.9693 5.9693 5.9693 7.0538 7.0538 7.0538 7.0538 7.2381 7.2381 7.2381 7.2381 7.9199 7.9199 7.9199 7.9199 9.0591 9.0591 9.0591 9.0591 9.2044 9.2044 9.2044 9.2044 9.9525 9.9525 9.9525 9.9525 11.7515 11.7515 11.7515 11.7515 12.0783 12.0783 k = 0.5000 0.0097-0.0000 ( 3278 PWs) bands (ev): -1.3765 -1.3765 -1.3764 -1.3764 1.3446 1.3446 1.3450 1.3450 4.6711 4.6711 4.6730 4.6730 5.9652 5.9652 5.9687 5.9687 7.0519 7.0519 7.0536 7.0536 7.2359 7.2359 7.2365 7.2365 7.9245 7.9245 7.9258 7.9258 9.0524 9.0524 9.0598 9.0598 9.2011 9.2011 9.2078 9.2078 9.9515 9.9515 9.9540 9.9540 11.7482 11.7482 11.7518 11.7518 12.0762 12.0762 k = 0.5000 0.0193-0.0000 ( 3282 PWs) bands (ev): -1.3750 -1.3750 -1.3748 -1.3748 1.3422 1.3422 1.3429 1.3429 4.6731 4.6731 4.6770 4.6770 5.9566 5.9566 5.9636 5.9636 7.0479 7.0479 7.0512 7.0512 7.2299 7.2299 7.2314 7.2314 7.9393 7.9393 7.9417 7.9417 9.0402 9.0402 9.0544 9.0544 9.1980 9.1980 9.2107 9.2107 9.9509 9.9509 9.9557 9.9557 11.7419 11.7419 11.7491 11.7491 12.0720 12.0720 k = 0.5000 0.0290-0.0000 ( 3282 PWs) bands (ev): -1.3725 -1.3725 -1.3722 -1.3722 1.3382 1.3382 1.3393 1.3393 4.6771 4.6771 4.6830 4.6830 5.9437 5.9437 5.9540 5.9540 7.0422 7.0422 7.0467 7.0467 7.2208 7.2208 7.2235 7.2235 7.9632 7.9632 7.9664 7.9664 9.0229 9.0229 9.0426 9.0426 9.1958 9.1958 9.2130 9.2130 9.9507 9.9507 9.9577 9.9577 11.7328 11.7328 11.7434 11.7434 12.0662 12.0662 k = 0.5000 0.0387-0.0000 ( 3290 PWs) bands (ev): -1.3690 -1.3690 -1.3686 -1.3686 1.3328 1.3328 1.3342 1.3342 4.6831 4.6831 4.6909 4.6909 5.9268 5.9268 5.9402 5.9402 7.0351 7.0351 7.0405 7.0405 7.2091 7.2091 7.2134 7.2134 7.9946 7.9946 7.9984 7.9984 9.0008 9.0008 9.0247 9.0247 9.1943 9.1943 9.2146 9.2146 9.9510 9.9510 9.9598 9.9598 11.7209 11.7209 11.7347 11.7347 12.0599 12.0599 k = 0.5000 0.0484-0.0000 ( 3298 PWs) bands (ev): -1.3645 -1.3645 -1.3640 -1.3640 1.3259 1.3259 1.3277 1.3277 4.6910 4.6910 4.7008 4.7008 5.9063 5.9063 5.9225 5.9225 7.0270 7.0270 7.0328 7.0328 7.1956 7.1956 7.2020 7.2020 8.0319 8.0319 8.0358 8.0358 8.9744 8.9744 9.0013 9.0013 9.1936 9.1936 9.2157 9.2157 9.9517 9.9517 9.9620 9.9620 11.7064 11.7064 11.7234 11.7234 12.0545 12.0545 k = 0.5000 0.0580-0.0000 ( 3298 PWs) bands (ev): -1.3591 -1.3591 -1.3585 -1.3585 1.3176 1.3176 1.3197 1.3197 4.7008 4.7008 4.7125 4.7125 5.8827 5.8827 5.9014 5.9014 7.0184 7.0184 7.0242 7.0242 7.1808 7.1808 7.1896 7.1896 8.0732 8.0732 8.0767 8.0767 8.9442 8.9442 8.9733 8.9733 9.1934 9.1934 9.2163 9.2163 9.9530 9.9530 9.9644 9.9644 11.6897 11.6897 11.7095 11.7095 12.0515 12.0515 k = 0.5000 0.0677-0.0000 ( 3306 PWs) bands (ev): -1.3527 -1.3527 -1.3520 -1.3520 1.3079 1.3079 1.3104 1.3104 4.7125 4.7125 4.7261 4.7261 5.8565 5.8565 5.8773 5.8773 7.0093 7.0093 7.0149 7.0149 7.1653 7.1653 7.1766 7.1766 8.1164 8.1164 8.1191 8.1191 8.9108 8.9108 8.9416 8.9416 9.1934 9.1934 9.2163 9.2163 9.9548 9.9548 9.9667 9.9667 11.6708 11.6708 11.6933 11.6933 12.0521 12.0521 k = 0.5000 0.0774-0.0000 ( 3306 PWs) bands (ev): -1.3455 -1.3455 -1.3447 -1.3447 1.2970 1.2970 1.2998 1.2998 4.7261 4.7261 4.7415 4.7415 5.8283 5.8283 5.8509 5.8509 7.0002 7.0002 7.0053 7.0053 7.1493 7.1493 7.1633 7.1633 8.1600 8.1600 8.1612 8.1612 8.8754 8.8754 8.9073 8.9073 9.1937 9.1937 9.2161 9.2161 9.9570 9.9570 9.9691 9.9691 11.6502 11.6502 11.6750 11.6750 12.0579 12.0579 k = 0.5000 0.0871-0.0000 ( 3298 PWs) bands (ev): -1.3374 -1.3374 -1.3365 -1.3365 1.2848 1.2848 1.2880 1.2880 4.7414 4.7414 4.7586 4.7586 5.7986 5.7986 5.8226 5.8226 6.9909 6.9909 6.9957 6.9957 7.1334 7.1334 7.1498 7.1498 8.2008 8.2008 8.2018 8.2018 8.8393 8.8393 8.8718 8.8718 9.1939 9.1939 9.2155 9.2155 9.9597 9.9597 9.9715 9.9715 11.6285 11.6285 11.6552 11.6552 12.0698 12.0698 k = 0.5000 0.0967-0.0000 ( 3294 PWs) bands (ev): -1.3285 -1.3285 -1.3275 -1.3275 1.2715 1.2715 1.2750 1.2750 4.7583 4.7583 4.7774 4.7774 5.7678 5.7678 5.7930 5.7930 6.9813 6.9813 6.9860 6.9860 7.1179 7.1179 7.1364 7.1364 8.2355 8.2355 8.2397 8.2397 8.8041 8.8041 8.8367 8.8367 9.1940 9.1940 9.2145 9.2145 9.9628 9.9628 9.9740 9.9740 11.6061 11.6061 11.6345 11.6345 12.0887 12.0887 k = 0.5000 0.1064-0.0000 ( 3294 PWs) bands (ev): -1.3190 -1.3190 -1.3179 -1.3179 1.2572 1.2572 1.2610 1.2610 4.7769 4.7769 4.7977 4.7977 5.7365 5.7365 5.7626 5.7626 6.9708 6.9708 6.9762 6.9762 7.1035 7.1035 7.1232 7.1232 8.2625 8.2625 8.2712 8.2712 8.7723 8.7723 8.8039 8.8039 9.1938 9.1938 9.2131 9.2131 9.9663 9.9663 9.9765 9.9765 11.5836 11.5836 11.6133 11.6133 12.1153 12.1153 k = 0.5000 0.1161-0.0000 ( 3290 PWs) bands (ev): -1.3088 -1.3088 -1.3076 -1.3076 1.2419 1.2419 1.2459 1.2459 4.7970 4.7970 4.8195 4.8195 5.7051 5.7051 5.7318 5.7318 6.9591 6.9591 6.9661 6.9661 7.0907 7.0907 7.1106 7.1106 8.2788 8.2788 8.2936 8.2936 8.7466 8.7466 8.7761 8.7761 9.1933 9.1933 9.2113 9.2113 9.9702 9.9702 9.9791 9.9791 11.5616 11.5616 11.5922 11.5922 12.1502 12.1502 k = 0.5000 0.1258-0.0000 ( 3290 PWs) bands (ev): -1.2980 -1.2980 -1.2968 -1.2968 1.2257 1.2257 1.2301 1.2301 4.8185 4.8185 4.8426 4.8426 5.6740 5.6740 5.7011 5.7011 6.9454 6.9454 6.9554 6.9554 7.0804 7.0804 7.0991 7.0991 8.2818 8.2818 8.3041 8.3041 8.7295 8.7295 8.7557 8.7557 9.1924 9.1924 9.2091 9.2091 9.9745 9.9745 9.9818 9.9818 11.5404 11.5404 11.5718 11.5718 12.1938 12.1938 k = 0.5000 0.1354-0.0000 ( 3284 PWs) bands (ev): -1.2868 -1.2868 -1.2854 -1.2854 1.2089 1.2089 1.2136 1.2136 4.8413 4.8413 4.8670 4.8670 5.6434 5.6434 5.6709 5.6709 6.9293 6.9293 6.9437 6.9437 7.0731 7.0731 7.0892 7.0892 8.2701 8.2701 8.3008 8.3008 8.7223 8.7223 8.7447 8.7447 9.1911 9.1911 9.2065 9.2065 9.9791 9.9791 9.9847 9.9847 11.5205 11.5205 11.5524 11.5524 12.2464 12.2464 k = 0.5000 0.1451-0.0000 ( 3292 PWs) bands (ev): -1.2752 -1.2752 -1.2737 -1.2737 1.1915 1.1915 1.1964 1.1964 4.8653 4.8653 4.8924 4.8924 5.6138 5.6138 5.6413 5.6413 6.9106 6.9106 6.9305 6.9305 7.0690 7.0690 7.0812 7.0812 8.2448 8.2448 8.2837 8.2837 8.7239 8.7239 8.7431 8.7431 9.1893 9.1893 9.2035 9.2035 9.9839 9.9839 9.9876 9.9876 11.5020 11.5020 11.5342 11.5342 12.3081 12.3081 k = 0.5000 0.1548-0.0000 ( 3292 PWs) bands (ev): -1.2633 -1.2633 -1.2617 -1.2617 1.1737 1.1737 1.1789 1.1789 4.8902 4.8902 4.9188 4.9188 5.5853 5.5853 5.6127 5.6127 6.8896 6.8896 6.9158 6.9158 7.0679 7.0679 7.0757 7.0757 8.2086 8.2086 8.2548 8.2548 8.7321 8.7321 8.7491 8.7491 9.1870 9.1870 9.2001 9.2001 9.9889 9.9889 9.9907 9.9907 11.4852 11.4852 11.5175 11.5175 12.3792 12.3792 k = 0.5000 0.1644-0.0000 ( 3288 PWs) bands (ev): -1.2512 -1.2512 -1.2495 -1.2495 1.1557 1.1557 1.1611 1.1611 4.9161 4.9161 4.9459 4.9459 5.5582 5.5582 5.5854 5.5854 6.8667 6.8667 6.8994 6.8994 7.0698 7.0698 7.0729 7.0729 8.1644 8.1644 8.2170 8.2170 8.7442 8.7442 8.7601 8.7601 9.1842 9.1842 9.1964 9.1964 9.9939 9.9939 9.9940 9.9940 11.4700 11.4700 11.5023 11.5023 12.4594 12.4594 k = 0.5000 0.1741-0.0000 ( 3282 PWs) bands (ev): -1.2390 -1.2390 -1.2372 -1.2372 1.1376 1.1376 1.1432 1.1432 4.9426 4.9426 4.9736 4.9736 5.5325 5.5325 5.5594 5.5594 6.8423 6.8423 6.8814 6.8814 7.0727 7.0727 7.0742 7.0742 8.1149 8.1149 8.1731 8.1731 8.7580 8.7580 8.7739 8.7739 9.1810 9.1810 9.1924 9.1924 9.9971 9.9971 9.9990 9.9990 11.4565 11.4565 11.4887 11.4887 12.5480 12.5480 k = 0.5000 0.1838-0.0000 ( 3278 PWs) bands (ev): -1.2269 -1.2269 -1.2250 -1.2250 1.1196 1.1196 1.1254 1.1254 4.9695 4.9695 5.0017 5.0017 5.5083 5.5083 5.5348 5.5348 6.8169 6.8169 6.8622 6.8622 7.0751 7.0751 7.0809 7.0809 8.0621 8.0621 8.1252 8.1252 8.7720 8.7720 8.7886 8.7886 9.1774 9.1774 9.1883 9.1883 10.0004 10.0004 10.0038 10.0038 11.4446 11.4446 11.4766 11.4766 12.6451 12.6451 k = 0.5000 0.1935-0.0000 ( 3276 PWs) bands (ev): -1.2149 -1.2149 -1.2130 -1.2130 1.1019 1.1019 1.1078 1.1078 4.9967 4.9967 5.0299 5.0299 5.4857 5.4857 5.5118 5.5118 6.7909 6.7909 6.8421 6.8421 7.0800 7.0800 7.0896 7.0896 8.0074 8.0074 8.0750 8.0750 8.7852 8.7852 8.8032 8.8032 9.1734 9.1734 9.1841 9.1841 10.0035 10.0035 10.0085 10.0085 11.4342 11.4342 11.4659 11.4659 12.7508 12.7508 k = 0.5000 0.2031-0.0000 ( 3268 PWs) bands (ev): -1.2032 -1.2032 -1.2012 -1.2012 1.0846 1.0846 1.0908 1.0908 5.0239 5.0239 5.0580 5.0580 5.4647 5.4647 5.4903 5.4903 6.7647 6.7647 6.8215 6.8215 7.0872 7.0872 7.1003 7.1003 7.9519 7.9519 8.0238 8.0238 8.7974 8.7974 8.8169 8.8169 9.1693 9.1693 9.1799 9.1799 10.0066 10.0066 10.0129 10.0129 11.4251 11.4251 11.4566 11.4566 12.8645 12.8645 k = 0.5000 0.2128-0.0000 ( 3268 PWs) bands (ev): -1.1920 -1.1920 -1.1899 -1.1899 1.0681 1.0681 1.0744 1.0744 5.0509 5.0509 5.0857 5.0857 5.4454 5.4454 5.4705 5.4705 6.7388 6.7388 6.8007 6.8007 7.0965 7.0965 7.1127 7.1127 7.8965 7.8965 7.9724 7.9724 8.8081 8.8081 8.8294 8.8294 9.1650 9.1650 9.1759 9.1759 10.0095 10.0095 10.0170 10.0170 11.4173 11.4173 11.4485 11.4485 12.9856 12.9856 k = 0.5000 0.2225-0.0000 ( 3264 PWs) bands (ev): -1.1813 -1.1813 -1.1792 -1.1792 1.0523 1.0523 1.0588 1.0588 5.0773 5.0773 5.1128 5.1128 5.4275 5.4275 5.4521 5.4521 6.7136 6.7136 6.7803 6.7803 7.1079 7.1079 7.1266 7.1266 7.8420 7.8420 7.9218 7.9218 8.8173 8.8173 8.8405 8.8405 9.1608 9.1608 9.1721 9.1721 10.0121 10.0121 10.0207 10.0207 11.4106 11.4106 11.4415 11.4415 13.1137 13.1137 k = 0.5000 0.2322-0.0000 ( 3268 PWs) bands (ev): -1.1714 -1.1714 -1.1691 -1.1691 1.0377 1.0377 1.0442 1.0442 5.1028 5.1028 5.1390 5.1390 5.4111 5.4111 5.4353 5.4353 6.6894 6.6894 6.7606 6.7606 7.1212 7.1212 7.1418 7.1418 7.7888 7.7888 7.8725 7.8725 8.8250 8.8250 8.8502 8.8502 9.1567 9.1567 9.1686 9.1686 10.0146 10.0146 10.0240 10.0240 11.4050 11.4050 11.4356 11.4356 13.2480 13.2480 k = 0.5000 0.2418-0.0000 ( 3274 PWs) bands (ev): -1.1622 -1.1622 -1.1599 -1.1599 1.0242 1.0242 1.0309 1.0309 5.1272 5.1272 5.1640 5.1640 5.3960 5.3960 5.4200 5.4200 6.6667 6.6667 6.7420 6.7420 7.1362 7.1362 7.1581 7.1581 7.7377 7.7377 7.8253 7.8253 8.8313 8.8313 8.8584 8.8584 9.1528 9.1528 9.1654 9.1654 10.0168 10.0168 10.0269 10.0269 11.4002 11.4002 11.4305 11.4305 13.3878 13.3878 k = 0.5000 0.2515-0.0000 ( 3270 PWs) bands (ev): -1.1540 -1.1540 -1.1516 -1.1516 1.0122 1.0122 1.0190 1.0190 5.1501 5.1501 5.1876 5.1876 5.3821 5.3821 5.4061 5.4061 6.6460 6.6460 6.7249 6.7249 7.1526 7.1526 7.1751 7.1751 7.6892 7.6892 7.7808 7.7808 8.8364 8.8364 8.8653 8.8653 9.1493 9.1493 9.1626 9.1626 10.0187 10.0187 10.0294 10.0294 11.3963 11.3963 11.4264 11.4264 13.5322 13.5322 k = 0.5000 0.2612-0.0000 ( 3278 PWs) bands (ev): -1.1468 -1.1468 -1.1444 -1.1444 1.0017 1.0017 1.0086 1.0086 5.1710 5.1710 5.2096 5.2096 5.3693 5.3693 5.3937 5.3937 6.6275 6.6275 6.7097 6.7097 7.1700 7.1700 7.1924 7.1924 7.6440 7.6440 7.7399 7.7399 8.8404 8.8404 8.8710 8.8710 9.1462 9.1462 9.1602 9.1602 10.0203 10.0203 10.0315 10.0315 11.3931 11.3931 11.4229 11.4229 13.6804 13.6804 k = 0.5000 0.2708-0.0000 ( 3282 PWs) bands (ev): -1.1408 -1.1408 -1.1383 -1.1383 0.9929 0.9929 0.9998 0.9998 5.1896 5.1896 5.2295 5.2295 5.3574 5.3574 5.3827 5.3827 6.6117 6.6117 6.6967 6.6967 7.1879 7.1879 7.2092 7.2092 7.6032 7.6032 7.7034 7.7034 8.8434 8.8434 8.8755 8.8755 9.1435 9.1435 9.1583 9.1583 10.0217 10.0217 10.0332 10.0332 11.3906 11.3906 11.4202 11.4202 13.8313 13.8313 k = 0.5000 0.2805-0.0000 ( 3262 PWs) bands (ev): -1.1360 -1.1360 -1.1335 -1.1335 0.9859 0.9859 0.9929 0.9929 5.2053 5.2053 5.2473 5.2473 5.3464 5.3464 5.3734 5.3734 6.5991 6.5991 6.6862 6.6862 7.2052 7.2052 7.2246 7.2246 7.5679 7.5679 7.6726 7.6726 8.8458 8.8458 8.8790 8.8790 9.1415 9.1415 9.1569 9.1569 10.0228 10.0228 10.0346 10.0346 11.3887 11.3887 11.4182 11.4182 13.9836 13.9836 k = 0.5000 0.2902-0.0000 ( 3262 PWs) bands (ev): -1.1326 -1.1326 -1.1300 -1.1300 0.9809 0.9809 0.9879 0.9879 5.2174 5.2174 5.2624 5.2624 5.3364 5.3364 5.3661 5.3661 6.5898 6.5898 6.6785 6.6785 7.2201 7.2201 7.2372 7.2372 7.5399 7.5399 7.6488 7.6488 8.8473 8.8473 8.8814 8.8814 9.1400 9.1400 9.1558 9.1558 10.0235 10.0235 10.0355 10.0355 11.3874 11.3874 11.4168 11.4168 14.1361 14.1361 k = 0.5000 0.2999-0.0000 ( 3256 PWs) bands (ev): -1.1305 -1.1305 -1.1279 -1.1279 0.9778 0.9778 0.9849 0.9849 5.2251 5.2251 5.2735 5.2735 5.3284 5.3284 5.3614 5.3614 6.5841 6.5841 6.6738 6.6738 7.2306 7.2306 7.2456 7.2456 7.5215 7.5215 7.6337 7.6337 8.8483 8.8483 8.8828 8.8828 9.1391 9.1391 9.1552 9.1552 10.0240 10.0240 10.0361 10.0361 11.3866 11.3866 11.4160 11.4160 14.2869 14.2869 k = 0.5000 0.3095-0.0000 ( 3256 PWs) bands (ev): -1.1298 -1.1298 -1.1272 -1.1272 0.9768 0.9768 0.9839 0.9839 5.2278 5.2278 5.2779 5.2779 5.3250 5.3250 5.3597 5.3597 6.5822 6.5822 6.6722 6.6722 7.2345 7.2345 7.2486 7.2486 7.5151 7.5151 7.6285 7.6285 8.8485 8.8485 8.8833 8.8833 9.1388 9.1388 9.1550 9.1550 10.0241 10.0241 10.0362 10.0362 11.3864 11.3864 11.4157 11.4157 14.4053 14.4053 k = 0.5000 0.3095-0.0000 ( 3256 PWs) bands (ev): -1.1298 -1.1298 -1.1272 -1.1272 0.9768 0.9768 0.9839 0.9839 5.2278 5.2278 5.2779 5.2779 5.3250 5.3250 5.3597 5.3597 6.5822 6.5822 6.6722 6.6722 7.2345 7.2345 7.2486 7.2486 7.5151 7.5151 7.6285 7.6285 8.8485 8.8485 8.8833 8.8833 9.1388 9.1388 9.1550 9.1550 10.0241 10.0241 10.0362 10.0362 11.3864 11.3864 11.4157 11.4157 14.4053 14.4053 k = 0.4902 0.3095-0.0000 ( 3256 PWs) bands (ev): -1.1326 -1.1326 -1.1301 -1.1301 0.9761 0.9761 0.9831 0.9831 5.2116 5.2116 5.2602 5.2602 5.3469 5.3469 5.3834 5.3834 6.5750 6.5750 6.6655 6.6655 7.2334 7.2334 7.2473 7.2473 7.5243 7.5243 7.6371 7.6371 8.8487 8.8487 8.8833 8.8833 9.1388 9.1388 9.1550 9.1550 10.0253 10.0253 10.0374 10.0374 11.3870 11.3870 11.4163 11.4163 14.3468 14.3468 k = 0.4804 0.3095-0.0000 ( 3252 PWs) bands (ev): -1.1413 -1.1413 -1.1388 -1.1388 0.9738 0.9738 0.9809 0.9809 5.1822 5.1822 5.2301 5.2301 5.3936 5.3936 5.4314 5.4314 6.5542 6.5542 6.6461 6.6461 7.2311 7.2311 7.2446 7.2446 7.5502 7.5502 7.6619 7.6619 8.8491 8.8491 8.8835 8.8835 9.1390 9.1390 9.1550 9.1550 10.0289 10.0289 10.0409 10.0409 11.3890 11.3890 11.4182 11.4182 14.2768 14.2768 k = 0.4706 0.3095-0.0000 ( 3252 PWs) bands (ev): -1.1555 -1.1555 -1.1531 -1.1531 0.9700 0.9700 0.9771 0.9771 5.1538 5.1538 5.2024 5.2024 5.4503 5.4503 5.4886 5.4886 6.5215 6.5215 6.6157 6.6157 7.2289 7.2289 7.2423 7.2423 7.5891 7.5891 7.6996 7.6996 8.8497 8.8497 8.8838 8.8838 9.1391 9.1391 9.1549 9.1549 10.0349 10.0349 10.0468 10.0468 11.3923 11.3923 11.4214 11.4214 14.2053 14.2053 k = 0.4608 0.3095-0.0000 ( 3262 PWs) bands (ev): -1.1752 -1.1752 -1.1728 -1.1728 0.9644 0.9644 0.9715 0.9715 5.1300 5.1300 5.1800 5.1800 5.5133 5.5133 5.5518 5.5518 6.4795 6.4795 6.5764 6.5764 7.2283 7.2283 7.2420 7.2420 7.6371 7.6371 7.7467 7.7467 8.8506 8.8506 8.8841 8.8841 9.1394 9.1394 9.1548 9.1548 10.0433 10.0433 10.0551 10.0551 11.3968 11.3968 11.4257 11.4257 14.1333 14.1333 k = 0.4510 0.3095-0.0000 ( 3262 PWs) bands (ev): -1.2000 -1.2000 -1.1976 -1.1976 0.9569 0.9569 0.9641 0.9641 5.1115 5.1115 5.1634 5.1634 5.5810 5.5810 5.6197 5.6197 6.4310 6.4310 6.5309 6.5309 7.2302 7.2302 7.2445 7.2445 7.6911 7.6911 7.8000 7.8000 8.8518 8.8518 8.8846 8.8846 9.1398 9.1398 9.1548 9.1548 10.0544 10.0544 10.0660 10.0660 11.4026 11.4026 11.4311 11.4311 14.0613 14.0613 k = 0.4412 0.3095-0.0000 ( 3270 PWs) bands (ev): -1.2295 -1.2295 -1.2272 -1.2272 0.9474 0.9474 0.9546 0.9546 5.0985 5.0985 5.1528 5.1528 5.6524 5.6524 5.6915 5.6915 6.3786 6.3786 6.4820 6.4820 7.2348 7.2348 7.2498 7.2498 7.7485 7.7485 7.8571 7.8571 8.8532 8.8532 8.8851 8.8851 9.1404 9.1404 9.1548 9.1548 10.0682 10.0682 10.0797 10.0797 11.4094 11.4094 11.4377 11.4377 13.9900 13.9900 k = 0.4314 0.3095-0.0000 ( 3266 PWs) bands (ev): -1.2634 -1.2634 -1.2611 -1.2611 0.9356 0.9356 0.9428 0.9428 5.0906 5.0906 5.1476 5.1476 5.7267 5.7267 5.7661 5.7661 6.3250 6.3250 6.4321 6.4321 7.2422 7.2422 7.2581 7.2581 7.8077 7.8077 7.9159 7.9159 8.8549 8.8549 8.8857 8.8857 9.1413 9.1413 9.1551 9.1551 10.0849 10.0849 10.0964 10.0964 11.4173 11.4173 11.4452 11.4452 13.9200 13.9200 k = 0.4216 0.3095-0.0000 ( 3270 PWs) bands (ev): -1.3012 -1.3012 -1.2990 -1.2990 0.9214 0.9214 0.9286 0.9286 5.0871 5.0871 5.1472 5.1472 5.8027 5.8027 5.8425 5.8425 6.2730 6.2730 6.3841 6.3841 7.2523 7.2523 7.2690 7.2690 7.8672 7.8672 7.9749 7.9749 8.8569 8.8569 8.8864 8.8864 9.1424 9.1424 9.1555 9.1555 10.1047 10.1047 10.1163 10.1163 11.4261 11.4261 11.4536 11.4536 13.8518 13.8518 k = 0.4118 0.3095-0.0000 ( 3266 PWs) bands (ev): -1.3426 -1.3426 -1.3405 -1.3405 0.9048 0.9048 0.9119 0.9119 5.0870 5.0870 5.1505 5.1505 5.8789 5.8789 5.9184 5.9184 6.2264 6.2264 6.3410 6.3410 7.2649 7.2649 7.2825 7.2825 7.9259 7.9259 8.0329 8.0329 8.8593 8.8593 8.8871 8.8871 9.1440 9.1440 9.1562 9.1562 10.1277 10.1277 10.1398 10.1398 11.4356 11.4356 11.4628 11.4628 13.7859 13.7859 k = 0.4020 0.3095-0.0000 ( 3270 PWs) bands (ev): -1.3870 -1.3870 -1.3850 -1.3850 0.8855 0.8855 0.8927 0.8927 5.0889 5.0889 5.1557 5.1557 5.9525 5.9525 5.9884 5.9884 6.1925 6.1925 6.3071 6.3071 7.2799 7.2799 7.2984 7.2984 7.9831 7.9831 8.0890 8.0890 8.8619 8.8619 8.8878 8.8878 9.1459 9.1459 9.1572 9.1572 10.1542 10.1542 10.1668 10.1668 11.4457 11.4457 11.4725 11.4725 13.7230 13.7230 k = 0.3922 0.3095-0.0000 ( 3270 PWs) bands (ev): -1.4341 -1.4341 -1.4322 -1.4322 0.8637 0.8637 0.8708 0.8708 5.0912 5.0912 5.1610 5.1610 6.0185 6.0185 6.0361 6.0361 6.1895 6.1895 6.2892 6.2892 7.2972 7.2972 7.3166 7.3166 8.0380 8.0380 8.1423 8.1423 8.8649 8.8649 8.8884 8.8884 9.1486 9.1486 9.1589 9.1589 10.1842 10.1842 10.1978 10.1978 11.4561 11.4561 11.4825 11.4825 13.6636 13.6636 k = 0.3824 0.3095-0.0000 ( 3266 PWs) bands (ev): -1.4835 -1.4835 -1.4817 -1.4817 0.8393 0.8393 0.8464 0.8464 5.0919 5.0919 5.1637 5.1637 6.0465 6.0465 6.0683 6.0683 6.2347 6.2347 6.2975 6.2975 7.3167 7.3167 7.3371 7.3371 8.0900 8.0900 8.1922 8.1922 8.8682 8.8682 8.8890 8.8890 9.1521 9.1521 9.1612 9.1612 10.2181 10.2181 10.2330 10.2330 11.4665 11.4665 11.4926 11.4926 13.6082 13.6082 k = 0.3725 0.3095-0.0000 ( 3272 PWs) bands (ev): -1.5348 -1.5348 -1.5330 -1.5330 0.8125 0.8125 0.8195 0.8195 5.0890 5.0890 5.1615 5.1615 6.0427 6.0427 6.0976 6.0976 6.3068 6.3068 6.3378 6.3378 7.3383 7.3383 7.3597 7.3597 8.1388 8.1388 8.2382 8.2382 8.8719 8.8719 8.8897 8.8897 9.1564 9.1564 9.1644 9.1644 10.2557 10.2557 10.2725 10.2725 11.4765 11.4765 11.5024 11.5024 13.5574 13.5574 k = 0.3627 0.3095-0.0000 ( 3282 PWs) bands (ev): -1.5875 -1.5875 -1.5859 -1.5859 0.7833 0.7833 0.7902 0.7902 5.0806 5.0806 5.1519 5.1519 6.0449 6.0449 6.1162 6.1162 6.3875 6.3875 6.4015 6.4015 7.3620 7.3620 7.3844 7.3844 8.1840 8.1840 8.2798 8.2798 8.8759 8.8759 8.8903 8.8903 9.1619 9.1619 9.1686 9.1686 10.2974 10.2974 10.3164 10.3164 11.4860 11.4860 11.5117 11.5117 13.5117 13.5117 k = 0.3529 0.3095-0.0000 ( 3278 PWs) bands (ev): -1.6414 -1.6414 -1.6399 -1.6399 0.7520 0.7520 0.7589 0.7589 5.0655 5.0655 5.1337 5.1337 6.0595 6.0595 6.1363 6.1363 6.4710 6.4710 6.4771 6.4771 7.3877 7.3877 7.4112 7.4112 8.2253 8.2253 8.3168 8.3168 8.8804 8.8804 8.8910 8.8910 9.1686 9.1686 9.1740 9.1740 10.3432 10.3432 10.3651 10.3651 11.4945 11.4945 11.5202 11.5202 13.4716 13.4716 k = 0.3431 0.3095-0.0000 ( 3286 PWs) bands (ev): -1.6962 -1.6962 -1.6947 -1.6947 0.7187 0.7187 0.7255 0.7255 5.0431 5.0431 5.1065 5.1065 6.0880 6.0880 6.1643 6.1643 6.5552 6.5552 6.5580 6.5580 7.4154 7.4154 7.4400 7.4400 8.2625 8.2625 8.3489 8.3489 8.8852 8.8852 8.8918 8.8918 9.1768 9.1768 9.1807 9.1807 10.3931 10.3931 10.4185 10.4185 11.5018 11.5018 11.5276 11.5276 13.4375 13.4375 k = 0.3333 0.3095-0.0000 ( 3290 PWs) bands (ev): -1.7515 -1.7515 -1.7501 -1.7501 0.6838 0.6838 0.6904 0.6904 5.0135 5.0135 5.0712 5.0712 6.1298 6.1298 6.2022 6.2022 6.6393 6.6393 6.6412 6.6412 7.4450 7.4450 7.4706 7.4706 8.2955 8.2955 8.3762 8.3762 8.8905 8.8905 8.8928 8.8928 9.1864 9.1864 9.1890 9.1890 10.4472 10.4472 10.4766 10.4766 11.5076 11.5076 11.5337 11.5337 13.4097 13.4097 k = 0.3235 0.3095-0.0000 ( 3290 PWs) bands (ev): -1.8071 -1.8071 -1.8058 -1.8058 0.6473 0.6473 0.6538 0.6538 4.9775 4.9775 5.0290 5.0290 6.1832 6.1832 6.2499 6.2499 6.7227 6.7227 6.7252 6.7252 7.4765 7.4765 7.5030 7.5030 8.3242 8.3242 8.3986 8.3986 8.8940 8.8940 8.8961 8.8961 9.1979 9.1979 9.1991 9.1991 10.5054 10.5054 10.5394 10.5394 11.5118 11.5118 11.5385 11.5385 13.3887 13.3887 k = 0.3137 0.3095-0.0000 ( 3286 PWs) bands (ev): -1.8627 -1.8627 -1.8615 -1.8615 0.6096 0.6096 0.6160 0.6160 4.9362 4.9362 4.9816 4.9816 6.2459 6.2459 6.3062 6.3062 6.8051 6.8051 6.8093 6.8093 7.5099 7.5099 7.5373 7.5373 8.3486 8.3486 8.4163 8.4163 8.8956 8.8956 8.9021 8.9021 9.2110 9.2110 9.2113 9.2113 10.5677 10.5677 10.6068 10.6068 11.5144 11.5144 11.5419 11.5419 13.3743 13.3743 k = 0.3039 0.3095-0.0000 ( 3288 PWs) bands (ev): -1.9181 -1.9181 -1.9170 -1.9170 0.5709 0.5709 0.5772 0.5772 4.8906 4.8906 4.9304 4.9304 6.3159 6.3159 6.3694 6.3694 6.8864 6.8864 6.8930 6.8930 7.5451 7.5451 7.5731 7.5731 8.3687 8.3687 8.4295 8.4295 8.8976 8.8976 8.9082 8.9082 9.2249 9.2249 9.2265 9.2265 10.6337 10.6337 10.6784 10.6784 11.5157 11.5157 11.5443 11.5443 13.3667 13.3667 k = 0.2941 0.3095-0.0000 ( 3292 PWs) bands (ev): -1.9732 -1.9732 -1.9721 -1.9721 0.5315 0.5315 0.5376 0.5376 4.8420 4.8420 4.8767 4.8767 6.3910 6.3910 6.4379 6.4379 6.9664 6.9664 6.9758 6.9758 7.5823 7.5823 7.6106 7.6106 8.3846 8.3846 8.4386 8.4386 8.9001 8.9001 8.9147 8.9147 9.2407 9.2407 9.2437 9.2437 10.7031 10.7031 10.7538 10.7538 11.5163 11.5163 11.5462 11.5462 13.3657 13.3657 k = 0.2843 0.3095-0.0000 ( 3300 PWs) bands (ev): -2.0276 -2.0276 -2.0266 -2.0266 0.4915 0.4915 0.4974 0.4974 4.7912 4.7912 4.8214 4.8214 6.4693 6.4693 6.5097 6.5097 7.0452 7.0452 7.0576 7.0576 7.6216 7.6216 7.6500 7.6500 8.3965 8.3965 8.4438 8.4438 8.9030 8.9030 8.9211 8.9211 9.2584 9.2584 9.2628 9.2628 10.7752 10.7752 10.8322 10.8322 11.5172 11.5172 11.5487 11.5487 13.3709 13.3709 k = 0.2745 0.3095-0.0000 ( 3300 PWs) bands (ev): -2.0813 -2.0813 -2.0803 -2.0803 0.4512 0.4512 0.4570 0.4570 4.7390 4.7390 4.7654 4.7654 6.5490 6.5490 6.5833 6.5833 7.1225 7.1225 7.1378 7.1378 7.6635 7.6635 7.6915 7.6915 8.4047 8.4047 8.4456 8.4456 8.9064 8.9064 8.9276 8.9276 9.2781 9.2781 9.2837 9.2837 10.8490 10.8490 10.9123 10.9123 11.5203 11.5203 11.5533 11.5533 13.3818 13.3818 k = 0.2647 0.3095-0.0000 ( 3300 PWs) bands (ev): -2.1341 -2.1341 -2.1332 -2.1332 0.4109 0.4109 0.4165 0.4165 4.6862 4.6862 4.7092 4.7092 6.6288 6.6288 6.6573 6.6573 7.1979 7.1979 7.2157 7.2157 7.7087 7.7087 7.7356 7.7356 8.4094 8.4094 8.4444 8.4444 8.9102 8.9102 8.9341 8.9341 9.2996 9.2996 9.3063 9.3063 10.9228 10.9228 10.9918 10.9918 11.5281 11.5281 11.5621 11.5621 13.3978 13.3978 k = 0.2549 0.3095-0.0000 ( 3298 PWs) bands (ev): -2.1859 -2.1859 -2.1850 -2.1850 0.3706 0.3706 0.3760 0.3760 4.6333 4.6333 4.6533 4.6533 6.7073 6.7073 6.7305 6.7305 7.2706 7.2706 7.2903 7.2903 7.7579 7.7579 7.7831 7.7831 8.4111 8.4111 8.4406 8.4406 8.9144 8.9144 8.9404 8.9404 9.3228 9.3228 9.3304 9.3304 10.9942 10.9942 11.0671 11.0671 11.5450 11.5450 11.5782 11.5782 13.4182 13.4182 k = 0.2451 0.3095-0.0000 ( 3302 PWs) bands (ev): -2.2364 -2.2364 -2.2356 -2.2356 0.3307 0.3307 0.3359 0.3359 4.5806 4.5806 4.5982 4.5982 6.7835 6.7835 6.8020 6.8020 7.3396 7.3396 7.3601 7.3601 7.8123 7.8123 7.8348 7.8348 8.4099 8.4099 8.4345 8.4345 8.9189 8.9189 8.9466 8.9466 9.3475 9.3475 9.3558 9.3558 11.0602 11.0602 11.1334 11.1334 11.5764 11.5764 11.6053 11.6053 13.4424 13.4424 k = 0.2353 0.3095-0.0000 ( 3306 PWs) bands (ev): -2.2857 -2.2857 -2.2850 -2.2850 0.2912 0.2912 0.2962 0.2962 4.5286 4.5286 4.5440 4.5440 6.8567 6.8567 6.8710 6.8710 7.4035 7.4035 7.4236 7.4236 7.8726 7.8726 7.8918 7.8918 8.4064 8.4064 8.4266 8.4266 8.9235 8.9235 8.9526 8.9526 9.3736 9.3736 9.3822 9.3822 11.1174 11.1174 11.1859 11.1859 11.6279 11.6279 11.6475 11.6475 13.4694 13.4694 k = 0.2255 0.3095-0.0000 ( 3310 PWs) bands (ev): -2.3336 -2.3336 -2.3329 -2.3329 0.2524 0.2524 0.2572 0.2572 4.4776 4.4776 4.4911 4.4911 6.9264 6.9264 6.9373 6.9373 7.4611 7.4611 7.4799 7.4799 7.9394 7.9394 7.9547 7.9547 8.4009 8.4009 8.4171 8.4171 8.9283 8.9283 8.9585 8.9585 9.4007 9.4007 9.4093 9.4093 11.1640 11.1640 11.2233 11.2233 11.7013 11.7013 11.7073 11.7073 13.4985 13.4985 k = 0.2157 0.3095-0.0000 ( 3310 PWs) bands (ev): -2.3800 -2.3800 -2.3793 -2.3793 0.2143 0.2143 0.2190 0.2190 4.4278 4.4278 4.4397 4.4397 6.9927 6.9927 7.0007 7.0007 7.5116 7.5116 7.5284 7.5284 8.0120 8.0120 8.0234 8.0234 8.3938 8.3938 8.4066 8.4066 8.9333 8.9333 8.9642 8.9642 9.4287 9.4287 9.4368 9.4368 11.2006 11.2006 11.2491 11.2491 11.7850 11.7850 11.7943 11.7943 13.5292 13.5292 k = 0.2059 0.3095-0.0000 ( 3306 PWs) bands (ev): -2.4248 -2.4248 -2.4242 -2.4242 0.1772 0.1772 0.1816 0.1816 4.3794 4.3794 4.3898 4.3898 7.0555 7.0555 7.0611 7.0611 7.5548 7.5548 7.5695 7.5695 8.0890 8.0890 8.0970 8.0970 8.3857 8.3857 8.3954 8.3954 8.9383 8.9383 8.9698 8.9698 9.4572 9.4572 9.4642 9.4642 11.2302 11.2302 11.2686 11.2686 11.8782 11.8782 11.9022 11.9022 13.5606 13.5606 k = 0.1961 0.3095-0.0000 ( 3310 PWs) bands (ev): -2.4680 -2.4680 -2.4674 -2.4674 0.1411 0.1411 0.1454 0.1454 4.3326 4.3326 4.3417 4.3417 7.1149 7.1149 7.1186 7.1186 7.5912 7.5912 7.6038 7.6038 8.1678 8.1678 8.1733 8.1733 8.3776 8.3776 8.3844 8.3844 8.9433 8.9433 8.9752 8.9752 9.4857 9.4857 9.4912 9.4912 11.2566 11.2566 11.2865 11.2865 11.9838 11.9838 12.0211 12.0211 13.5921 13.5921 k = 0.1863 0.3095-0.0000 ( 3308 PWs) bands (ev): -2.5094 -2.5094 -2.5089 -2.5089 0.1062 0.1062 0.1102 0.1102 4.2875 4.2875 4.2955 4.2955 7.1713 7.1713 7.1735 7.1735 7.6214 7.6214 7.6324 7.6324 8.2442 8.2442 8.2477 8.2477 8.3724 8.3724 8.3761 8.3761 8.9484 8.9484 8.9806 8.9806 9.5137 9.5137 9.5172 9.5172 11.2834 11.2834 11.3066 11.3066 12.0989 12.0989 12.1480 12.1480 13.6233 13.6233 k = 0.1765 0.3095-0.0000 ( 3304 PWs) bands (ev): -2.5490 -2.5490 -2.5485 -2.5485 0.0726 0.0726 0.0764 0.0764 4.2442 4.2442 4.2513 4.2513 7.2248 7.2248 7.2258 7.2258 7.6464 7.6464 7.6562 7.6562 8.3032 8.3032 8.3038 8.3038 8.3837 8.3837 8.3848 8.3848 8.9536 8.9536 8.9860 8.9860 9.5408 9.5408 9.5420 9.5420 11.3136 11.3136 11.3316 11.3316 12.2210 12.2210 12.2809 12.2809 13.6537 13.6537 k = 0.1667 0.3095-0.0000 ( 3312 PWs) bands (ev): -2.5868 -2.5868 -2.5863 -2.5863 0.0403 0.0403 0.0439 0.0439 4.2029 4.2029 4.2091 4.2091 7.2757 7.2757 7.2759 7.2759 7.6671 7.6671 7.6761 7.6761 8.3160 8.3160 8.3169 8.3169 8.4334 8.4334 8.4385 8.4385 8.9590 8.9590 8.9915 8.9915 9.5648 9.5648 9.5662 9.5662 11.3495 11.3495 11.3637 11.3637 12.3480 12.3480 12.4182 12.4182 13.6828 13.6828 k = 0.1569 0.3095-0.0000 ( 3316 PWs) bands (ev): -2.6227 -2.6227 -2.6223 -2.6223 0.0095 0.0095 0.0129 0.0129 4.1635 4.1635 4.1691 4.1691 7.3237 7.3237 7.3242 7.3242 7.6842 7.6842 7.6926 7.6926 8.3085 8.3085 8.3087 8.3087 8.5007 8.5007 8.5080 8.5080 8.9647 8.9647 8.9974 8.9974 9.5852 9.5852 9.5894 9.5894 11.3929 11.3929 11.4043 11.4043 12.4782 12.4782 12.5586 12.5586 13.7104 13.7104 k = 0.1471 0.3095-0.0000 ( 3324 PWs) bands (ev): -2.6566 -2.6566 -2.6562 -2.6562 -0.0198 -0.0198 -0.0166 -0.0166 4.1263 4.1263 4.1312 4.1312 7.3694 7.3694 7.3705 7.3705 7.6984 7.6984 7.7065 7.7065 8.2954 8.2954 8.2968 8.2968 8.5671 8.5671 8.5769 8.5769 8.9708 8.9708 9.0036 9.0036 9.6029 9.6029 9.6097 9.6097 11.4449 11.4449 11.4546 11.4546 12.6102 12.6102 12.7008 12.7008 13.7363 13.7363 k = 0.1373 0.3095-0.0000 ( 3324 PWs) bands (ev): -2.6885 -2.6885 -2.6881 -2.6881 -0.0475 -0.0475 -0.0446 -0.0446 4.0913 4.0913 4.0955 4.0955 7.4132 7.4132 7.4146 7.4146 7.7103 7.7103 7.7183 7.7183 8.2807 8.2807 8.2832 8.2832 8.6288 8.6288 8.6414 8.6414 8.9777 8.9777 9.0106 9.0106 9.6175 9.6175 9.6267 9.6267 11.5063 11.5063 11.5152 11.5152 12.7424 12.7424 12.8436 12.8436 13.7601 13.7601 k = 0.1275 0.3095-0.0000 ( 3324 PWs) bands (ev): -2.7184 -2.7184 -2.7180 -2.7180 -0.0736 -0.0736 -0.0708 -0.0708 4.0584 4.0584 4.0622 4.0622 7.4549 7.4549 7.4567 7.4567 7.7204 7.7204 7.7284 7.7284 8.2653 8.2653 8.2687 8.2687 8.6842 8.6842 8.6996 8.6996 8.9858 8.9858 9.0186 9.0186 9.6287 9.6287 9.6401 9.6401 11.5773 11.5773 11.5861 11.5861 12.8732 12.8732 12.9857 12.9857 13.7816 13.7816 k = 0.1176 0.3095-0.0000 ( 3324 PWs) bands (ev): -2.7461 -2.7461 -2.7458 -2.7458 -0.0979 -0.0979 -0.0953 -0.0953 4.0279 4.0279 4.0312 4.0312 7.4945 7.4945 7.4965 7.4965 7.7291 7.7291 7.7372 7.7372 8.2495 8.2495 8.2536 8.2536 8.7328 8.7328 8.7506 8.7506 8.9955 8.9955 9.0278 9.0278 9.6367 9.6367 9.6497 9.6497 11.6574 11.6574 11.6668 11.6668 13.0009 13.0009 13.1255 13.1255 13.8008 13.8008 k = 0.1078 0.3095-0.0000 ( 3320 PWs) bands (ev): -2.7718 -2.7718 -2.7715 -2.7715 -0.1204 -0.1204 -0.1181 -0.1181 3.9996 3.9996 4.0025 4.0025 7.5319 7.5319 7.5341 7.5341 7.7371 7.7371 7.7453 7.7453 8.2335 8.2335 8.2381 8.2381 8.7743 8.7743 8.7938 8.7938 9.0073 9.0073 9.0385 9.0385 9.6415 9.6415 9.6557 9.6557 11.7459 11.7459 11.7565 11.7565 13.1238 13.1238 13.2613 13.2613 13.8174 13.8174 k = 0.0980 0.3095-0.0000 ( 3324 PWs) bands (ev): -2.7953 -2.7953 -2.7951 -2.7951 -0.1411 -0.1411 -0.1390 -0.1390 3.9737 3.9737 3.9762 3.9762 7.5666 7.5666 7.5691 7.5691 7.7448 7.7448 7.7531 7.7531 8.2173 8.2173 8.2224 8.2224 8.8087 8.8087 8.8286 8.8286 9.0216 9.0216 9.0506 9.0506 9.6435 9.6435 9.6584 9.6584 11.8416 11.8416 11.8537 11.8537 13.2399 13.2399 13.3906 13.3906 13.8310 13.8310 k = 0.0882 0.3095-0.0000 ( 3324 PWs) bands (ev): -2.8167 -2.8167 -2.8165 -2.8165 -0.1599 -0.1599 -0.1580 -0.1580 3.9502 3.9502 3.9524 3.9524 7.5982 7.5982 7.6009 7.6009 7.7529 7.7529 7.7613 7.7613 8.2010 8.2010 8.2064 8.2064 8.8364 8.8364 8.8555 8.8555 9.0384 9.0384 9.0640 9.0640 9.6430 9.6430 9.6581 9.6581 11.9426 11.9426 11.9565 11.9565 13.3474 13.3474 13.5102 13.5102 13.8412 13.8412 k = 0.0784 0.3095-0.0000 ( 3320 PWs) bands (ev): -2.8359 -2.8359 -2.8357 -2.8357 -0.1769 -0.1769 -0.1752 -0.1752 3.9291 3.9291 3.9310 3.9310 7.6261 7.6261 7.6289 7.6289 7.7621 7.7621 7.7705 7.7705 8.1848 8.1848 8.1903 8.1903 8.8582 8.8582 8.8754 8.8754 9.0568 9.0568 9.0785 9.0785 9.6407 9.6407 9.6555 9.6555 12.0471 12.0471 12.0628 12.0628 13.4443 13.4443 13.6158 13.6158 13.8473 13.8473 k = 0.0686 0.3095-0.0000 ( 3328 PWs) bands (ev): -2.8528 -2.8528 -2.8527 -2.8527 -0.1919 -0.1919 -0.1904 -0.1904 3.9105 3.9105 3.9120 3.9120 7.6496 7.6496 7.6523 7.6523 7.7733 7.7733 7.7814 7.7814 8.1686 8.1686 8.1741 8.1741 8.8749 8.8749 8.8896 8.8896 9.0756 9.0756 9.0931 9.0931 9.6370 9.6370 9.6511 9.6511 12.1527 12.1527 12.1699 12.1699 13.5293 13.5293 13.7020 13.7020 13.8484 13.8484 k = 0.0588 0.3095-0.0000 ( 3320 PWs) bands (ev): -2.8676 -2.8676 -2.8674 -2.8674 -0.2049 -0.2049 -0.2037 -0.2037 3.8943 3.8943 3.8955 3.8955 7.6681 7.6681 7.6706 7.6706 7.7870 7.7870 7.7946 7.7946 8.1528 8.1528 8.1582 8.1582 8.8877 8.8877 8.8997 8.8997 9.0938 9.0938 9.1074 9.1074 9.6326 9.6326 9.6455 9.6455 12.2567 12.2567 12.2751 12.2751 13.6015 13.6015 13.7636 13.7636 13.8449 13.8449 k = 0.0490 0.3095-0.0000 ( 3318 PWs) bands (ev): -2.8801 -2.8801 -2.8799 -2.8799 -0.2160 -0.2160 -0.2149 -0.2149 3.8805 3.8805 3.8816 3.8816 7.6819 7.6819 7.6838 7.6838 7.8027 7.8027 7.8094 7.8094 8.1377 8.1377 8.1428 8.1428 8.8972 8.8972 8.9068 8.9068 9.1103 9.1103 9.1204 9.1204 9.6279 9.6279 9.6393 9.6393 12.3560 12.3560 12.3748 12.3748 13.6608 13.6608 13.7966 13.7966 13.8410 13.8410 k = 0.0392 0.3095-0.0000 ( 3314 PWs) bands (ev): -2.8903 -2.8903 -2.8902 -2.8902 -0.2251 -0.2251 -0.2242 -0.2242 3.8693 3.8693 3.8701 3.8701 7.6915 7.6915 7.6929 7.6929 7.8192 7.8192 7.8249 7.8249 8.1237 8.1237 8.1282 8.1282 8.9044 8.9044 8.9117 8.9117 9.1246 9.1246 9.1318 9.1318 9.6236 9.6236 9.6332 9.6332 12.4472 12.4472 12.4653 12.4653 13.7074 13.7074 13.7982 13.7982 13.8462 13.8462 k = 0.0294 0.3095-0.0000 ( 3314 PWs) bands (ev): -2.8983 -2.8983 -2.8982 -2.8982 -0.2321 -0.2321 -0.2315 -0.2315 3.8606 3.8606 3.8612 3.8612 7.6979 7.6979 7.6988 7.6988 7.8349 7.8349 7.8394 7.8394 8.1113 8.1113 8.1151 8.1151 8.9096 8.9096 8.9149 8.9149 9.1361 9.1361 9.1410 9.1410 9.6200 9.6200 9.6275 9.6275 12.5261 12.5261 12.5421 12.5421 13.7412 13.7412 13.7854 13.7854 13.8528 13.8528 k = 0.0196 0.3095-0.0000 ( 3306 PWs) bands (ev): -2.9039 -2.9039 -2.9039 -2.9039 -0.2371 -0.2371 -0.2367 -0.2367 3.8544 3.8544 3.8548 3.8548 7.7019 7.7019 7.7024 7.7024 7.8482 7.8482 7.8513 7.8513 8.1017 8.1017 8.1045 8.1045 8.9133 8.9133 8.9167 8.9167 9.1447 9.1447 9.1477 9.1477 9.6175 9.6175 9.6226 9.6226 12.5885 12.5885 12.6006 12.6006 13.7604 13.7604 13.7720 13.7720 13.8428 13.8428 k = 0.0098 0.3095-0.0000 ( 3302 PWs) bands (ev): -2.9074 -2.9074 -2.9073 -2.9073 -0.2401 -0.2401 -0.2398 -0.2398 3.8507 3.8507 3.8509 3.8509 7.7042 7.7042 7.7044 7.7044 7.8573 7.8573 7.8589 7.8589 8.0956 8.0956 8.0971 8.0971 8.9158 8.9158 8.9175 8.9175 9.1501 9.1501 9.1515 9.1515 9.6165 9.6165 9.6191 9.6191 12.6298 12.6298 12.6364 12.6364 13.7636 13.7636 13.7644 13.7644 13.8398 13.8398 k = 0.0000 0.3095-0.0000 ( 3296 PWs) bands (ev): -2.9085 -2.9085 -2.9085 -2.9085 -0.2410 -0.2410 -0.2410 -0.2410 3.8495 3.8495 3.8495 3.8495 7.7050 7.7050 7.7050 7.7050 7.8610 7.8610 7.8610 7.8610 8.0940 8.0940 8.0940 8.0940 8.9172 8.9172 8.9172 8.9172 9.1524 9.1524 9.1524 9.1524 9.6170 9.6170 9.6170 9.6170 12.6464 12.6464 12.6464 12.6464 13.7621 13.7621 13.7621 13.7621 13.8454 13.8454 k = 0.0000 0.3095-0.0000 ( 3296 PWs) bands (ev): -2.9085 -2.9085 -2.9085 -2.9085 -0.2410 -0.2410 -0.2410 -0.2410 3.8495 3.8495 3.8495 3.8495 7.7050 7.7050 7.7050 7.7050 7.8610 7.8610 7.8610 7.8610 8.0940 8.0940 8.0940 8.0940 8.9172 8.9172 8.9172 8.9172 9.1524 9.1524 9.1524 9.1524 9.6170 9.6170 9.6170 9.6170 12.6464 12.6464 12.6464 12.6464 13.7621 13.7621 13.7621 13.7621 13.8454 13.8454 k = 0.0000 0.2999-0.0000 ( 3310 PWs) bands (ev): -2.9808 -2.9808 -2.8348 -2.8348 -0.2459 -0.2459 -0.2367 -0.2367 3.8464 3.8464 3.8583 3.8583 7.6840 7.6840 7.7096 7.7096 7.7758 7.7758 7.9490 7.9490 8.0917 8.0917 8.0987 8.0987 8.9081 8.9081 8.9247 8.9247 9.1466 9.1466 9.1582 9.1582 9.5834 9.5834 9.6545 9.6545 12.5397 12.5397 12.7543 12.7543 13.6465 13.6465 13.7890 13.7890 13.8522 13.8522 k = 0.0000 0.2902-0.0000 ( 3310 PWs) bands (ev): -3.0517 -3.0517 -2.7598 -2.7598 -0.2514 -0.2514 -0.2333 -0.2333 3.8488 3.8488 3.8729 3.8729 7.6168 7.6168 7.6787 7.6787 7.7582 7.7582 8.0221 8.0221 8.0909 8.0909 8.1103 8.1103 8.8979 8.8979 8.9306 8.9306 9.1411 9.1411 9.1643 9.1643 9.5541 9.5541 9.6949 9.6949 12.4345 12.4345 12.8633 12.8633 13.5225 13.5225 13.7409 13.7409 13.9123 13.9123 k = 0.0000 0.2805-0.0000 ( 3310 PWs) bands (ev): -3.1209 -3.1209 -2.6839 -2.6839 -0.2572 -0.2572 -0.2308 -0.2308 3.8568 3.8568 3.8934 3.8934 7.4997 7.4997 7.6564 7.6564 7.7702 7.7702 8.0654 8.0654 8.0913 8.0913 8.1419 8.1419 8.8864 8.8864 8.9350 8.9350 9.1360 9.1360 9.1704 9.1704 9.5292 9.5292 9.7366 9.7366 12.3309 12.3309 12.9729 12.9729 13.3956 13.3956 13.6987 13.6987 13.9605 13.9605 k = 0.0000 0.2708-0.0000 ( 3314 PWs) bands (ev): -3.1885 -3.1885 -2.6071 -2.6071 -0.2631 -0.2631 -0.2292 -0.2292 3.8701 3.8701 3.9196 3.9196 7.3687 7.3687 7.6358 7.6358 7.7845 7.7845 8.0810 8.0810 8.0929 8.0929 8.1910 8.1910 8.8738 8.8738 8.9377 8.9377 9.1312 9.1312 9.1766 9.1766 9.5085 9.5085 9.7778 9.7778 12.2290 12.2290 13.0813 13.0813 13.2691 13.2691 13.6633 13.6633 13.9999 13.9999 k = 0.0000 0.2612-0.0000 ( 3314 PWs) bands (ev): -3.2542 -3.2542 -2.5297 -2.5297 -0.2689 -0.2689 -0.2286 -0.2286 3.8885 3.8885 3.9517 3.9517 7.2293 7.2293 7.6153 7.6153 7.7984 7.7984 8.0876 8.0876 8.0958 8.0958 8.2389 8.2389 8.8603 8.8603 8.9389 8.9389 9.1268 9.1268 9.1828 9.1828 9.4915 9.4915 9.8160 9.8160 12.1289 12.1289 13.1224 13.1224 13.2100 13.2100 13.6362 13.6362 14.0265 14.0265 k = 0.0000 0.2515-0.0000 ( 3318 PWs) bands (ev): -3.3179 -3.3179 -2.4519 -2.4519 -0.2742 -0.2742 -0.2291 -0.2291 3.9119 3.9119 3.9896 3.9896 7.0834 7.0834 7.5949 7.5949 7.8113 7.8113 8.0917 8.0917 8.1000 8.1000 8.2802 8.2802 8.8459 8.8459 8.9387 8.9387 9.1230 9.1230 9.1889 9.1889 9.4777 9.4777 9.8488 9.8488 12.0307 12.0307 13.0023 13.0023 13.3125 13.3125 13.6193 13.6193 14.0340 14.0340 k = 0.0000 0.2418-0.0000 ( 3316 PWs) bands (ev): -3.3798 -3.3798 -2.3741 -2.3741 -0.2788 -0.2788 -0.2306 -0.2306 3.9401 3.9401 4.0332 4.0332 6.9325 6.9325 7.5744 7.5744 7.8229 7.8229 8.0952 8.0952 8.1049 8.1049 8.3139 8.3139 8.8307 8.8307 8.9372 8.9372 9.1196 9.1196 9.1951 9.1951 9.4666 9.4666 9.8738 9.8738 11.9344 11.9344 12.8757 12.8757 13.4215 13.4215 13.6145 13.6145 14.0224 14.0224 k = 0.0000 0.2322-0.0000 ( 3320 PWs) bands (ev): -3.4395 -3.4395 -2.2965 -2.2965 -0.2823 -0.2823 -0.2330 -0.2330 3.9728 3.9728 4.0824 4.0824 6.7778 6.7778 7.5539 7.5539 7.8330 7.8330 8.0989 8.0989 8.1102 8.1102 8.3402 8.3402 8.8146 8.8146 8.9344 8.9344 9.1169 9.1169 9.2012 9.2012 9.4578 9.4578 9.8891 9.8891 11.8402 11.8402 12.7504 12.7504 13.5263 13.5263 13.6250 13.6250 14.0003 14.0003 k = 0.0000 0.2225-0.0000 ( 3320 PWs) bands (ev): -3.4972 -3.4972 -2.2196 -2.2196 -0.2842 -0.2842 -0.2364 -0.2364 4.0098 4.0098 4.1372 4.1372 6.6201 6.6201 7.5336 7.5336 7.8414 7.8414 8.1029 8.1029 8.1159 8.1159 8.3596 8.3596 8.7977 8.7977 8.9304 8.9304 9.1147 9.1147 9.2072 9.2072 9.4508 9.4508 9.8932 9.8932 11.7481 11.7481 12.6275 12.6275 13.6071 13.6071 13.6665 13.6665 13.9787 13.9787 k = 0.0000 0.2128-0.0000 ( 3320 PWs) bands (ev): -3.5527 -3.5527 -2.1437 -2.1437 -0.2843 -0.2843 -0.2406 -0.2406 4.0508 4.0508 4.1974 4.1974 6.4604 6.4604 7.5134 7.5134 7.8479 7.8479 8.1072 8.1072 8.1219 8.1219 8.3723 8.3723 8.7799 8.7799 8.9256 8.9256 9.1132 9.1132 9.2131 9.2131 9.4454 9.4454 9.8855 9.8855 11.6582 11.6582 12.5078 12.5078 13.6473 13.6473 13.7448 13.7448 13.9725 13.9725 k = 0.0000 0.2031-0.0000 ( 3318 PWs) bands (ev): -3.6060 -3.6060 -2.0693 -2.0693 -0.2820 -0.2820 -0.2455 -0.2455 4.0955 4.0955 4.2630 4.2630 6.2997 6.2997 7.4935 7.4935 7.8523 7.8523 8.1118 8.1118 8.1281 8.1281 8.3785 8.3785 8.7613 8.7613 8.9200 8.9200 9.1124 9.1124 9.2190 9.2190 9.4411 9.4411 9.8659 9.8659 11.5706 11.5706 12.3920 12.3920 13.6741 13.6741 13.8110 13.8110 14.0050 14.0050 k = 0.0000 0.1935-0.0000 ( 3316 PWs) bands (ev): -3.6571 -3.6571 -1.9970 -1.9970 -0.2769 -0.2769 -0.2511 -0.2511 4.1437 4.1437 4.3336 4.3336 6.1385 6.1385 7.4738 7.4738 7.8543 7.8543 8.1167 8.1167 8.1345 8.1345 8.3783 8.3783 8.7418 8.7418 8.9138 8.9138 9.1123 9.1123 9.2247 9.2247 9.4378 9.4378 9.8352 9.8352 11.4854 11.4854 12.2806 12.2806 13.6821 13.6821 13.8645 13.8645 14.0821 14.0821 k = 0.0000 0.1838-0.0000 ( 3325 PWs) bands (ev): -3.7058 -3.7058 -1.9271 -1.9271 -0.2685 -0.2685 -0.2573 -0.2573 4.1950 4.1950 4.4093 4.4093 5.9777 5.9777 7.4545 7.4545 7.8538 7.8538 8.1217 8.1217 8.1411 8.1411 8.3715 8.3715 8.7215 8.7215 8.9071 8.9071 9.1128 9.1128 9.2301 9.2301 9.4353 9.4353 9.7949 9.7949 11.4027 11.4027 12.1739 12.1739 13.6678 13.6678 13.9299 13.9299 14.1819 14.1819 k = 0.0000 0.1741-0.0000 ( 3319 PWs) bands (ev): -3.7523 -3.7523 -1.8604 -1.8604 -0.2641 -0.2641 -0.2562 -0.2562 4.2490 4.2490 4.4898 4.4898 5.8179 5.8179 7.4354 7.4354 7.8505 7.8505 8.1268 8.1268 8.1478 8.1478 8.3579 8.3579 8.7005 8.7005 8.9001 8.9001 9.1141 9.1141 9.2354 9.2354 9.4335 9.4335 9.7468 9.7468 11.3226 11.3226 12.0725 12.0725 13.6400 13.6400 14.0110 14.0110 14.2897 14.2897 k = 0.0000 0.1644-0.0000 ( 3317 PWs) bands (ev): -3.7963 -3.7963 -1.7973 -1.7973 -0.2711 -0.2711 -0.2400 -0.2400 4.3055 4.3055 4.5749 4.5749 5.6597 5.6597 7.4166 7.4166 7.8442 7.8442 8.1316 8.1316 8.1546 8.1546 8.3371 8.3371 8.6790 8.6790 8.8929 8.8929 9.1161 9.1161 9.2405 9.2405 9.4322 9.4322 9.6932 9.6932 11.2452 11.2452 11.9767 11.9767 13.6060 13.6060 14.1034 14.1034 14.4003 14.4003 k = 0.0000 0.1548-0.0000 ( 3309 PWs) bands (ev): -3.8380 -3.8380 -1.7383 -1.7383 -0.2784 -0.2784 -0.2192 -0.2192 4.3641 4.3641 4.6644 4.6644 5.5038 5.5038 7.3981 7.3981 7.8347 7.8347 8.1358 8.1358 8.1612 8.1612 8.3090 8.3090 8.6572 8.6572 8.8857 8.8857 9.1188 9.1188 9.2452 9.2452 9.4314 9.4314 9.6363 9.6363 11.1706 11.1706 11.8869 11.8869 13.5697 13.5697 14.2026 14.2026 14.5114 14.5114 k = 0.0000 0.1451-0.0000 ( 3309 PWs) bands (ev): -3.8773 -3.8773 -1.6839 -1.6839 -0.2858 -0.2858 -0.1938 -0.1938 4.4242 4.4242 4.7581 4.7581 5.3509 5.3509 7.3798 7.3798 7.8219 7.8219 8.1383 8.1383 8.1675 8.1675 8.2741 8.2741 8.6353 8.6353 8.8786 8.8786 9.1222 9.1222 9.2496 9.2496 9.4310 9.4310 9.5786 9.5786 11.0990 11.0990 11.8030 11.8030 13.5328 13.5328 14.3040 14.3040 14.5989 14.5989 k = 0.0000 0.1354-0.0000 ( 3301 PWs) bands (ev): -3.9141 -3.9141 -1.6344 -1.6344 -0.2933 -0.2933 -0.1637 -0.1637 4.4856 4.4856 4.8557 4.8557 5.2018 5.2018 7.3615 7.3615 7.8057 7.8057 8.1354 8.1354 8.1732 8.1732 8.2358 8.2358 8.6138 8.6138 8.8716 8.8716 9.1264 9.1264 9.2535 9.2535 9.4308 9.4308 9.5224 9.5224 11.0304 11.0304 11.7255 11.7255 13.4964 13.4964 14.4022 14.4022 14.6297 14.6297 k = 0.0000 0.1258-0.0000 ( 3295 PWs) bands (ev): -3.9485 -3.9485 -1.5900 -1.5900 -0.3007 -0.3007 -0.1291 -0.1291 4.5475 4.5475 4.9550 4.9550 5.0589 5.0589 7.3430 7.3430 7.7859 7.7859 8.1157 8.1157 8.1771 8.1771 8.2065 8.2065 8.5930 8.5930 8.8651 8.8651 9.1311 9.1311 9.2568 9.2568 9.4307 9.4307 9.4698 9.4698 10.9651 10.9651 11.6542 11.6542 13.4611 13.4611 14.4905 14.4905 14.6605 14.6605 k = 0.0000 0.1161-0.0000 ( 3293 PWs) bands (ev): -3.9804 -3.9804 -1.5507 -1.5507 -0.3079 -0.3079 -0.0903 -0.0903 4.6096 4.6096 4.9128 4.9128 5.0663 5.0663 7.3240 7.3240 7.7629 7.7629 8.0671 8.0671 8.1790 8.1790 8.1984 8.1984 8.5731 8.5731 8.8590 8.8590 9.1363 9.1363 9.2591 9.2591 9.4192 9.4192 9.4338 9.4338 10.9033 10.9033 11.5892 11.5892 13.4273 13.4273 14.5620 14.5620 14.6916 14.6916 k = 0.0000 0.1064-0.0000 ( 3291 PWs) bands (ev): -4.0098 -4.0098 -1.5165 -1.5165 -0.3149 -0.3149 -0.0479 -0.0479 4.6708 4.6708 4.7800 4.7800 5.1738 5.1738 7.3040 7.3040 7.7367 7.7367 7.9990 7.9990 8.1815 8.1815 8.2006 8.2006 8.5545 8.5545 8.8534 8.8534 9.1420 9.1420 9.2598 9.2598 9.3791 9.3791 9.4330 9.4330 10.8450 10.8450 11.5305 11.5305 13.3954 13.3954 14.6141 14.6141 14.7207 14.7207 k = 0.0000 0.0967-0.0000 ( 3297 PWs) bands (ev): -4.0367 -4.0367 -1.4871 -1.4871 -0.3216 -0.3216 -0.0029 -0.0029 4.6504 4.6504 4.7332 4.7332 5.2855 5.2855 7.2821 7.2821 7.7080 7.7080 7.9205 7.9205 8.1848 8.1848 8.2052 8.2052 8.5374 8.5374 8.8483 8.8483 9.1479 9.1479 9.2577 9.2577 9.3456 9.3456 9.4337 9.4337 10.7905 10.7905 11.4778 11.4778 13.3655 13.3655 14.6508 14.6508 14.7445 14.7445 k = 0.0000 0.0871-0.0000 ( 3297 PWs) bands (ev): -4.0611 -4.0611 -1.4622 -1.4622 -0.3279 -0.3279 0.0438 0.0438 4.5304 4.5304 4.7913 4.7913 5.4003 5.4003 7.2569 7.2569 7.6773 7.6773 7.8362 7.8362 8.1887 8.1887 8.2100 8.2100 8.5221 8.5221 8.8437 8.8437 9.1541 9.1541 9.2509 9.2509 9.3220 9.3220 9.4347 9.4347 10.7401 10.7401 11.4310 11.4310 13.3380 13.3380 14.6779 14.6779 14.7620 14.7620 k = 0.0000 0.0774-0.0000 ( 3305 PWs) bands (ev): -4.0830 -4.0830 -1.4414 -1.4414 -0.3337 -0.3337 0.0909 0.0909 4.4182 4.4182 4.8473 4.8473 5.5179 5.5179 7.2263 7.2263 7.6455 7.6455 7.7504 7.7504 8.1925 8.1925 8.2146 8.2146 8.5084 8.5084 8.8396 8.8396 9.1603 9.1603 9.2383 9.2383 9.3088 9.3088 9.4358 9.4358 10.6939 10.6939 11.3899 11.3899 13.3130 13.3130 14.6991 14.6991 14.7742 14.7742 k = 0.0000 0.0677-0.0000 ( 3309 PWs) bands (ev): -4.1023 -4.1023 -1.4242 -1.4242 -0.3390 -0.3390 0.1372 0.1372 4.3153 4.3153 4.9000 4.9000 5.6378 5.6378 7.1870 7.1870 7.6135 7.6135 7.6680 7.6680 8.1963 8.1963 8.2189 8.2189 8.4966 8.4966 8.8361 8.8361 9.1663 9.1663 9.2229 9.2229 9.3031 9.3031 9.4370 9.4370 10.6523 10.6523 11.3544 11.3544 13.2905 13.2905 14.7163 14.7163 14.7826 14.7826 k = 0.0000 0.0580-0.0000 ( 3309 PWs) bands (ev): -4.1190 -4.1190 -1.4103 -1.4103 -0.3437 -0.3437 0.1813 0.1813 4.2229 4.2229 4.9484 4.9484 5.7596 5.7596 7.1351 7.1351 7.5824 7.5824 7.5944 7.5944 8.1997 8.1997 8.2228 8.2228 8.4866 8.4866 8.8331 8.8331 9.1718 9.1718 9.2080 9.2080 9.3011 9.3011 9.4381 9.4381 10.6155 10.6155 11.3241 11.3241 13.2708 13.2708 14.7305 14.7305 14.7884 14.7884 k = 0.0000 0.0484-0.0000 ( 3311 PWs) bands (ev): -4.1332 -4.1332 -1.3993 -1.3993 -0.3478 -0.3478 0.2217 0.2217 4.1421 4.1421 4.9916 4.9916 5.8829 5.8829 7.0674 7.0674 7.5342 7.5342 7.5534 7.5534 8.2026 8.2026 8.2261 8.2261 8.4783 8.4783 8.8307 8.8307 9.1760 9.1760 9.1958 9.1958 9.3007 9.3007 9.4392 9.4392 10.5838 10.5838 11.2990 11.2990 13.2540 13.2540 14.7421 14.7421 14.7924 14.7924 k = 0.0000 0.0387-0.0000 ( 3307 PWs) bands (ev): -4.1448 -4.1448 -1.3907 -1.3907 -0.3511 -0.3511 0.2571 0.2571 4.0740 4.0740 5.0285 5.0285 6.0069 6.0069 6.9835 6.9835 7.4894 7.4894 7.5276 7.5276 8.2052 8.2052 8.2290 8.2290 8.4716 8.4716 8.8286 8.8286 9.1762 9.1762 9.1895 9.1895 9.3009 9.3009 9.4402 9.4402 10.5574 10.5574 11.2787 11.2787 13.2401 13.2401 14.7515 14.7515 14.7950 14.7950 k = 0.0000 0.0290-0.0000 ( 3303 PWs) bands (ev): -4.1538 -4.1538 -1.3844 -1.3844 -0.3538 -0.3538 0.2862 0.2862 4.0198 4.0198 5.0583 5.0583 6.1307 6.1307 6.8863 6.8863 7.4585 7.4585 7.5062 7.5062 8.2072 8.2072 8.2312 8.2312 8.4666 8.4666 8.8272 8.8272 9.1712 9.1712 9.1901 9.1901 9.3014 9.3014 9.4410 9.4410 10.5366 10.5366 11.2631 11.2631 13.2292 13.2292 14.7587 14.7587 14.7968 14.7968 k = 0.0000 0.0193-0.0000 ( 3303 PWs) bands (ev): -4.1603 -4.1603 -1.3800 -1.3800 -0.3557 -0.3557 0.3078 0.3078 3.9802 3.9802 5.0803 5.0803 6.2520 6.2520 6.7813 6.7813 7.4388 7.4388 7.4901 7.4901 8.2086 8.2086 8.2328 8.2328 8.4629 8.4629 8.8262 8.8262 9.1662 9.1662 9.1921 9.1921 9.3018 9.3018 9.4416 9.4416 10.5216 10.5216 11.2521 11.2521 13.2214 13.2214 14.7639 14.7639 14.7979 14.7979 k = 0.0000 0.0097-0.0000 ( 3299 PWs) bands (ev): -4.1642 -4.1642 -1.3774 -1.3774 -0.3568 -0.3568 0.3212 0.3212 3.9562 3.9562 5.0937 5.0937 6.3636 6.3636 6.6784 6.6784 7.4279 7.4279 7.4802 7.4802 8.2095 8.2095 8.2338 8.2338 8.4608 8.4608 8.8256 8.8256 9.1630 9.1630 9.1937 9.1937 9.3021 9.3021 9.4420 9.4420 10.5125 10.5125 11.2455 11.2455 13.2167 13.2167 14.7670 14.7670 14.7984 14.7984 k = 0.0000 0.0000 0.0000 ( 3303 PWs) bands (ev): -4.1655 -4.1655 -1.3766 -1.3766 -0.3572 -0.3572 0.3257 0.3257 3.9482 3.9482 5.0982 5.0982 6.4253 6.4253 6.6195 6.6195 7.4244 7.4244 7.4768 7.4768 8.2098 8.2098 8.2340 8.2340 8.4601 8.4601 8.8254 8.8254 9.1619 9.1619 9.1942 9.1942 9.3022 9.3022 9.4421 9.4421 10.5094 10.5094 11.2433 11.2433 13.2151 13.2151 14.7681 14.7681 14.7986 14.7986 k = 0.0000 0.0000 0.0000 ( 3303 PWs) bands (ev): -4.1655 -4.1655 -1.3766 -1.3766 -0.3572 -0.3572 0.3257 0.3257 3.9482 3.9482 5.0982 5.0982 6.4253 6.4253 6.6195 6.6195 7.4244 7.4244 7.4768 7.4768 8.2098 8.2098 8.2340 8.2340 8.4601 8.4601 8.8254 8.8254 9.1619 9.1619 9.1942 9.1942 9.3022 9.3022 9.4421 9.4421 10.5094 10.5094 11.2433 11.2433 13.2151 13.2151 14.7681 14.7681 14.7986 14.7986 k = 0.0000 0.0000 0.0099 ( 3307 PWs) bands (ev): -4.1641 -4.1641 -1.3846 -1.3846 -0.3508 -0.3508 0.3261 0.3261 3.9490 3.9490 5.0992 5.0992 6.4286 6.4286 6.6112 6.6112 7.3453 7.3453 7.5636 7.5636 8.2099 8.2099 8.2341 8.2341 8.4610 8.4610 8.8247 8.8247 9.1624 9.1624 9.1939 9.1939 9.3012 9.3012 9.4420 9.4420 10.5122 10.5122 11.2444 11.2444 13.2124 13.2124 14.7059 14.7059 14.8287 14.8287 k = 0.0000 0.0000 0.0197 ( 3308 PWs) bands (ev): -4.1602 -4.1602 -1.4080 -1.4080 -0.3320 -0.3320 0.3275 0.3275 3.9513 3.9513 5.1021 5.1021 6.4385 6.4385 6.5861 6.5861 7.2556 7.2556 7.6768 7.6768 8.2103 8.2103 8.2345 8.2345 8.4638 8.4638 8.8231 8.8231 9.1639 9.1639 9.1930 9.1930 9.2984 9.2984 9.4415 9.4415 10.5205 10.5205 11.2477 11.2477 13.2043 13.2043 14.6002 14.6002 14.8423 14.8423 k = 0.0000 0.0000 0.0296 ( 3306 PWs) bands (ev): -4.1535 -4.1535 -1.4451 -1.4451 -0.3027 -0.3027 0.3298 0.3298 3.9551 3.9551 5.1075 5.1075 6.4545 6.4545 6.5435 6.5435 7.1785 7.1785 7.7937 7.7937 8.2111 8.2111 8.2350 8.2350 8.4685 8.4685 8.8202 8.8202 9.1664 9.1664 9.1915 9.1915 9.2941 9.2941 9.4409 9.4409 10.5341 10.5341 11.2532 11.2532 13.1908 13.1908 14.4680 14.4680 14.8326 14.8326 k = 0.0000 0.0000 0.0394 ( 3304 PWs) bands (ev): -4.1443 -4.1443 -1.4935 -1.4935 -0.2651 -0.2651 0.3329 0.3329 3.9601 3.9601 5.1157 5.1157 6.4710 6.4710 6.4888 6.4888 7.1163 7.1163 7.9113 7.9113 8.2124 8.2124 8.2357 8.2357 8.4750 8.4750 8.8162 8.8162 9.1700 9.1700 9.1896 9.1896 9.2884 9.2884 9.4400 9.4400 10.5528 10.5528 11.2611 11.2611 13.1720 13.1720 14.3172 14.3172 14.8037 14.8037 k = 0.0000 0.0000 0.0493 ( 3298 PWs) bands (ev): -4.1324 -4.1324 -1.5511 -1.5511 -0.2215 -0.2215 0.3369 0.3369 3.9661 3.9661 5.1275 5.1275 6.4051 6.4051 6.5062 6.5062 7.0682 7.0682 8.0271 8.0271 8.2147 8.2147 8.2367 8.2367 8.4835 8.4835 8.8109 8.8109 9.1743 9.1743 9.1875 9.1875 9.2819 9.2819 9.4389 9.4389 10.5766 10.5766 11.2713 11.2713 13.1481 13.1481 14.1551 14.1551 14.7594 14.7594 k = 0.0000 0.0000 0.0592 ( 3302 PWs) bands (ev): -4.1178 -4.1178 -1.6157 -1.6157 -0.1739 -0.1739 0.3417 0.3417 3.9727 3.9727 5.1435 5.1435 6.3167 6.3167 6.5385 6.5385 7.0318 7.0318 8.1356 8.1356 8.2213 8.2213 8.2385 8.2385 8.4935 8.4935 8.8042 8.8042 9.1775 9.1775 9.1866 9.1866 9.2755 9.2755 9.4377 9.4377 10.6049 10.6049 11.2840 11.2840 13.1192 13.1192 13.9875 13.9875 14.7024 14.7024 k = 0.0000 0.0000 0.0690 ( 3308 PWs) bands (ev): -4.1007 -4.1007 -1.6858 -1.6858 -0.1240 -0.1240 0.3473 0.3473 3.9796 3.9796 5.1645 5.1645 6.2193 6.2193 6.5754 6.5754 7.0040 7.0040 8.1986 8.1986 8.2366 8.2366 8.2728 8.2728 8.5054 8.5054 8.7959 8.7959 9.1765 9.1765 9.1896 9.1896 9.2708 9.2708 9.4364 9.4364 10.6377 10.6377 11.2992 11.2992 13.0856 13.0856 13.8189 13.8189 14.6347 14.6347 k = 0.0000 0.0000 0.0789 ( 3304 PWs) bands (ev): -4.0809 -4.0809 -1.7599 -1.7599 -0.0730 -0.0730 0.3536 0.3536 3.9867 3.9867 5.1911 5.1911 6.1164 6.1164 6.6162 6.6162 6.9820 6.9820 8.2083 8.2083 8.2388 8.2388 8.3675 8.3675 8.5190 8.5190 8.7860 8.7860 9.1729 9.1729 9.1932 9.1932 9.2704 9.2704 9.4353 9.4353 10.6744 10.6744 11.3173 11.3173 13.0475 13.0475 13.6531 13.6531 14.5578 14.5578 k = 0.0000 0.0000 0.0887 ( 3304 PWs) bands (ev): -4.0585 -4.0585 -1.8370 -1.8370 -0.0221 -0.0221 0.3606 0.3606 3.9938 3.9938 5.2237 5.2237 6.0104 6.0104 6.6602 6.6602 6.9639 6.9639 8.2116 8.2116 8.2402 8.2402 8.4610 8.4610 8.5344 8.5344 8.7743 8.7743 9.1682 9.1682 9.1933 9.1933 9.2777 9.2777 9.4342 9.4342 10.7149 10.7149 11.3383 11.3383 13.0050 13.0050 13.4930 13.4930 14.4730 14.4730 k = 0.0000 0.0000 0.0986 ( 3316 PWs) bands (ev): -4.0336 -4.0336 -1.9164 -1.9164 0.0280 0.0280 0.3682 0.3682 4.0009 4.0009 5.2626 5.2626 5.9033 5.9033 6.7069 6.7069 6.9480 6.9480 8.2138 8.2138 8.2415 8.2415 8.5403 8.5403 8.5559 8.5559 8.7606 8.7606 9.1629 9.1629 9.1888 9.1888 9.2941 9.2941 9.4334 9.4334 10.7589 10.7589 11.3623 11.3623 12.9586 12.9586 13.3412 13.3412 14.3814 14.3814 k = 0.0000 0.0000 0.1085 ( 3312 PWs) bands (ev): -4.0060 -4.0060 -1.9972 -1.9972 0.0767 0.0767 0.3764 0.3764 4.0081 4.0081 5.3075 5.3075 5.7965 5.7965 6.7558 6.7558 6.9336 6.9336 8.2158 8.2158 8.2428 8.2428 8.5663 8.5663 8.6190 8.6190 8.7463 8.7463 9.1571 9.1571 9.1810 9.1810 9.3189 9.3189 9.4333 9.4333 10.8060 10.8060 11.3897 11.3897 12.9083 12.9083 13.2003 13.2003 14.2841 14.2841 k = 0.0000 0.0000 0.1183 ( 3318 PWs) bands (ev): -3.9759 -3.9759 -2.0790 -2.0790 0.1234 0.1234 0.3849 0.3849 4.0155 4.0155 5.3576 5.3576 5.6918 5.6918 6.8063 6.8063 6.9198 6.9198 8.2177 8.2177 8.2441 8.2441 8.5854 8.5854 8.6691 8.6691 8.7375 8.7375 9.1509 9.1509 9.1715 9.1715 9.3494 9.3494 9.4342 9.4342 10.8560 10.8560 11.4205 11.4205 12.8547 12.8547 13.0724 13.0724 14.1821 14.1821 k = 0.0000 0.0000 0.1282 ( 3322 PWs) bands (ev): -3.9433 -3.9433 -2.1613 -2.1613 0.1679 0.1679 0.3939 0.3939 4.0235 4.0235 5.4089 5.4089 5.5936 5.5936 6.8571 6.8571 6.9072 6.9072 8.2195 8.2195 8.2452 8.2452 8.6051 8.6051 8.6766 8.6766 8.7558 8.7558 9.1443 9.1443 9.1614 9.1614 9.3818 9.3818 9.4379 9.4379 10.9087 10.9087 11.4551 11.4551 12.7979 12.7979 12.9597 12.9597 14.0763 14.0763 k = 0.0000 0.0000 0.1380 ( 3328 PWs) bands (ev): -3.9081 -3.9081 -2.2439 -2.2439 0.2097 0.2097 0.4030 0.4030 4.0325 4.0325 5.4284 5.4284 5.5349 5.5349 6.8839 6.8839 6.9195 6.9195 8.2214 8.2214 8.2463 8.2463 8.6252 8.6252 8.6550 8.6550 8.7878 8.7878 9.1373 9.1373 9.1514 9.1514 9.4076 9.4076 9.4502 9.4502 10.9639 10.9639 11.4935 11.4935 12.7387 12.7387 12.8640 12.8640 13.9677 13.9677 k = 0.0000 0.0000 0.1479 ( 3330 PWs) bands (ev): -3.8705 -3.8705 -2.3263 -2.3263 0.2487 0.2487 0.4123 0.4123 4.0429 4.0429 5.3575 5.3575 5.5740 5.5740 6.8715 6.8715 6.9715 6.9715 8.2233 8.2233 8.2473 8.2473 8.6231 8.6231 8.6463 8.6463 8.8152 8.8152 9.1299 9.1299 9.1420 9.1420 9.4192 9.4192 9.4758 9.4758 11.0213 11.0213 11.5359 11.5359 12.6773 12.6773 12.7867 12.7867 13.8573 13.8573 k = 0.0000 0.0000 0.1578 ( 3330 PWs) bands (ev): -3.8303 -3.8303 -2.4083 -2.4083 0.2847 0.2847 0.4216 0.4216 4.0552 4.0552 5.2644 5.2644 5.6425 5.6425 6.8549 6.8549 7.0277 7.0277 8.2252 8.2252 8.2482 8.2482 8.5852 8.5852 8.6669 8.6669 8.8361 8.8361 9.1221 9.1221 9.1334 9.1334 9.4242 9.4242 9.5047 9.5047 11.0807 11.0807 11.5827 11.5827 12.6141 12.6141 12.7290 12.7290 13.7461 13.7461 k = 0.0000 0.0000 0.1676 ( 3310 PWs) bands (ev): -3.7877 -3.7877 -2.4896 -2.4896 0.3176 0.3176 0.4308 0.4308 4.0698 4.0698 5.1703 5.1703 5.7185 5.7185 6.8364 6.8364 7.0858 7.0858 8.2272 8.2272 8.2489 8.2489 8.5408 8.5408 8.6876 8.6876 8.8514 8.8514 9.1144 9.1144 9.1256 9.1256 9.4279 9.4279 9.5297 9.5297 11.1420 11.1420 11.6339 11.6339 12.5488 12.5488 12.6917 12.6917 13.6354 13.6354 k = 0.0000 0.0000 0.1775 ( 3304 PWs) bands (ev): -3.7427 -3.7427 -2.5702 -2.5702 0.3474 0.3474 0.4397 0.4397 4.0870 4.0870 5.0783 5.0783 5.7982 5.7982 6.8157 6.8157 7.1456 7.1456 8.2291 8.2291 8.2494 8.2494 8.4900 8.4900 8.7080 8.7080 8.8620 8.8620 9.1069 9.1069 9.1185 9.1185 9.4316 9.4316 9.5482 9.5482 11.2051 11.2051 11.6895 11.6895 12.4813 12.4813 12.6741 12.6741 13.5270 13.5270 k = 0.0000 0.0000 0.1873 ( 3300 PWs) bands (ev): -3.6952 -3.6952 -2.6497 -2.6497 0.3739 0.3739 0.4481 0.4481 4.1074 4.1074 4.9891 4.9891 5.8801 5.8801 6.7925 6.7925 7.2074 7.2074 8.2309 8.2309 8.2496 8.2496 8.4328 8.4328 8.7278 8.7278 8.8689 8.8689 9.1001 9.1001 9.1118 9.1118 9.4359 9.4359 9.5598 9.5598 11.2698 11.2698 11.7497 11.7497 12.4121 12.4121 12.6736 12.6736 13.4234 13.4234 k = 0.0000 0.0000 0.1972 ( 3304 PWs) bands (ev): -3.6455 -3.6455 -2.7281 -2.7281 0.3972 0.3972 0.4560 0.4560 4.1312 4.1312 4.9033 4.9033 5.9628 5.9628 6.7666 6.7666 7.2714 7.2714 8.2324 8.2324 8.2493 8.2493 8.3698 8.3698 8.7468 8.7468 8.8729 8.8729 9.0940 9.0940 9.1056 9.1056 9.4410 9.4410 9.5647 9.5647 11.3360 11.3360 11.8144 11.8144 12.3414 12.3414 12.6852 12.6852 13.3287 13.3287 k = 0.0000 0.0000 0.2071 ( 3298 PWs) bands (ev): -3.5933 -3.5933 -2.8052 -2.8052 0.4174 0.4174 0.4631 0.4631 4.1587 4.1587 4.8210 4.8210 6.0451 6.0451 6.7376 6.7376 7.3381 7.3381 8.2325 8.2325 8.2479 8.2479 8.3032 8.3032 8.7648 8.7648 8.8744 8.8744 9.0888 9.0888 9.0999 9.0999 9.4470 9.4470 9.5639 9.5639 11.4035 11.4035 11.8837 11.8837 12.2698 12.2698 12.6997 12.6997 13.2506 13.2506 k = 0.0000 0.0000 0.2169 ( 3302 PWs) bands (ev): -3.5390 -3.5390 -2.8809 -2.8809 0.4346 0.4346 0.4692 0.4692 4.1901 4.1901 4.7425 4.7425 6.1259 6.1259 6.7050 6.7050 7.4076 7.4076 8.2103 8.2103 8.2421 8.2421 8.2576 8.2576 8.7817 8.7817 8.8738 8.8738 9.0846 9.0846 9.0947 9.0947 9.4540 9.4540 9.5587 9.5587 11.4723 11.4723 11.9574 11.9574 12.1973 12.1973 12.7028 12.7028 13.2018 13.2018 k = 0.0000 0.0000 0.2268 ( 3310 PWs) bands (ev): -3.4823 -3.4823 -2.9550 -2.9550 0.4487 0.4487 0.4742 0.4742 4.2257 4.2257 4.6679 4.6679 6.2043 6.2043 6.6686 6.6686 7.4802 7.4802 8.1383 8.1383 8.2412 8.2412 8.2520 8.2520 8.7973 8.7973 8.8714 8.8714 9.0814 9.0814 9.0900 9.0900 9.4621 9.4621 9.5503 9.5503 11.5422 11.5422 12.0351 12.0351 12.1244 12.1244 12.6792 12.6792 13.1957 13.1957 k = 0.0000 0.0000 0.2366 ( 3322 PWs) bands (ev): -3.4235 -3.4235 -3.0276 -3.0276 0.4600 0.4600 0.4778 0.4778 4.2656 4.2656 4.5974 4.5974 6.2791 6.2791 6.6278 6.6278 7.5561 7.5561 8.0566 8.0566 8.2423 8.2423 8.2504 8.2504 8.8116 8.8116 8.8674 8.8674 9.0791 9.0791 9.0860 9.0860 9.4711 9.4711 9.5397 9.5397 11.6131 11.6131 12.0503 12.0503 12.1175 12.1175 12.6256 12.6256 13.2337 13.2337 k = 0.0000 0.0000 0.2465 ( 3322 PWs) bands (ev): -3.3625 -3.3625 -3.0983 -3.0983 0.4687 0.4687 0.4799 0.4799 4.3098 4.3098 4.5312 4.5312 6.3498 6.3498 6.5824 6.5824 7.6351 7.6351 7.9720 7.9720 8.2438 8.2438 8.2492 8.2492 8.8245 8.8245 8.8617 8.8617 9.0780 9.0780 9.0827 9.0827 9.4812 9.4812 9.5280 9.5280 11.6848 11.6848 11.9770 11.9770 12.2023 12.2023 12.5516 12.5516 13.3045 13.3045 k = 0.0000 0.0000 0.2564 ( 3324 PWs) bands (ev): -3.2994 -3.2994 -3.1673 -3.1673 0.4748 0.4748 0.4802 0.4802 4.3585 4.3585 4.4692 4.4692 6.4157 6.4157 6.5320 6.5320 7.7169 7.7169 7.8864 7.8864 8.2452 8.2452 8.2480 8.2480 8.8359 8.8359 8.8546 8.8546 9.0778 9.0778 9.0802 9.0802 9.4922 9.4922 9.5159 9.5159 11.7573 11.7573 11.9035 11.9035 12.2899 12.2899 12.4673 12.4673 13.3965 13.3965 k = 0.0000 0.0000 0.2662 ( 3328 PWs) bands (ev): -3.2343 -3.2343 -3.2343 -3.2343 0.4786 0.4786 0.4786 0.4786 4.4116 4.4116 4.4116 4.4116 6.4765 6.4765 6.4765 6.4765 7.8010 7.8010 7.8010 7.8010 8.2466 8.2466 8.2466 8.2466 8.8460 8.8460 8.8460 8.8460 9.0785 9.0785 9.0785 9.0785 9.5037 9.5037 9.5037 9.5037 11.8302 11.8302 11.8302 11.8302 12.3789 12.3789 12.3789 12.3789 13.5019 13.5019 k = 0.0000 0.0000 0.2662 ( 3328 PWs) bands (ev): -3.2343 -3.2343 -3.2343 -3.2343 0.4786 0.4786 0.4786 0.4786 4.4116 4.4116 4.4116 4.4116 6.4765 6.4765 6.4765 6.4765 7.8010 7.8010 7.8010 7.8010 8.2466 8.2466 8.2466 8.2466 8.8460 8.8460 8.8460 8.8460 9.0785 9.0785 9.0785 9.0785 9.5037 9.5037 9.5037 9.5037 11.8302 11.8302 11.8302 11.8302 12.3789 12.3789 12.3789 12.3789 13.5019 13.5019 k = 0.0098-0.0000 0.2662 ( 3324 PWs) bands (ev): -3.2331 -3.2331 -3.2331 -3.2331 0.4792 0.4792 0.4794 0.4794 4.4128 4.4128 4.4129 4.4129 6.4773 6.4773 6.4774 6.4774 7.7985 7.7985 7.8006 7.8006 8.2475 8.2475 8.2478 8.2478 8.8419 8.8419 8.8461 8.8461 9.0761 9.0761 9.0774 9.0774 9.5022 9.5022 9.5072 9.5072 11.8134 11.8134 11.8201 11.8201 12.3846 12.3846 12.3869 12.3869 13.5003 13.5003 k = 0.0196-0.0000 0.2662 ( 3316 PWs) bands (ev): -3.2294 -3.2294 -3.2294 -3.2294 0.4814 0.4814 0.4817 0.4817 4.4163 4.4163 4.4164 4.4164 6.4798 6.4798 6.4800 6.4800 7.7931 7.7931 7.7974 7.7974 8.2503 8.2503 8.2511 8.2511 8.8336 8.8336 8.8424 8.8424 9.0704 9.0704 9.0725 9.0725 9.5024 9.5024 9.5122 9.5122 11.7724 11.7724 11.7851 11.7851 12.4021 12.4021 12.4070 12.4070 13.5025 13.5025 k = 0.0294-0.0000 0.2662 ( 3318 PWs) bands (ev): -3.2233 -3.2233 -3.2232 -3.2232 0.4850 0.4850 0.4854 0.4854 4.4221 4.4221 4.4223 4.4223 6.4840 6.4840 6.4842 6.4842 7.7852 7.7852 7.7914 7.7914 8.2546 8.2546 8.2563 8.2563 8.8205 8.8205 8.8346 8.8346 9.0622 9.0622 9.0642 9.0642 9.5044 9.5044 9.5186 9.5186 11.7123 11.7123 11.7303 11.7303 12.4270 12.4270 12.4348 12.4348 13.5084 13.5084 k = 0.0392-0.0000 0.2662 ( 3310 PWs) bands (ev): -3.2147 -3.2147 -3.2146 -3.2146 0.4901 0.4901 0.4907 0.4907 4.4303 4.4303 4.4306 4.4306 6.4899 6.4899 6.4901 6.4901 7.7748 7.7748 7.7829 7.7829 8.2600 8.2600 8.2630 8.2630 8.8021 8.8021 8.8226 8.8226 9.0523 9.0523 9.0529 9.0529 9.5080 9.5080 9.5259 9.5259 11.6385 11.6385 11.6610 11.6610 12.4554 12.4554 12.4662 12.4662 13.5177 13.5177 k = 0.0490-0.0000 0.2662 ( 3310 PWs) bands (ev): -3.2036 -3.2036 -3.2035 -3.2035 0.4966 0.4966 0.4973 0.4973 4.4408 4.4408 4.4412 4.4412 6.4974 6.4974 6.4976 6.4976 7.7624 7.7624 7.7723 7.7723 8.2658 8.2658 8.2708 8.2708 8.7777 8.7777 8.8057 8.8057 9.0396 9.0396 9.0416 9.0416 9.5128 9.5128 9.5339 9.5339 11.5553 11.5553 11.5816 11.5816 12.4846 12.4846 12.4983 12.4983 13.5301 13.5301 k = 0.0588-0.0000 0.2662 ( 3306 PWs) bands (ev): -3.1901 -3.1901 -3.1900 -3.1900 0.5045 0.5045 0.5054 0.5054 4.4536 4.4536 4.4541 4.4541 6.5064 6.5064 6.5067 6.5067 7.7482 7.7482 7.7597 7.7597 8.2714 8.2714 8.2794 8.2794 8.7469 8.7469 8.7836 8.7836 9.0253 9.0253 9.0307 9.0307 9.5186 9.5186 9.5422 9.5422 11.4662 11.4662 11.4956 11.4956 12.5133 12.5133 12.5297 12.5297 13.5449 13.5449 k = 0.0686-0.0000 0.2662 ( 3314 PWs) bands (ev): -3.1742 -3.1742 -3.1740 -3.1740 0.5138 0.5138 0.5149 0.5149 4.4686 4.4686 4.4693 4.4693 6.5169 6.5169 6.5172 6.5172 7.7324 7.7324 7.7454 7.7454 8.2757 8.2757 8.2878 8.2878 8.7095 8.7095 8.7560 8.7560 9.0107 9.0107 9.0202 9.0202 9.5249 9.5249 9.5505 9.5505 11.3737 11.3737 11.4058 11.4058 12.5407 12.5407 12.5594 12.5594 13.5616 13.5616 k = 0.0784-0.0000 0.2662 ( 3308 PWs) bands (ev): -3.1558 -3.1558 -3.1556 -3.1556 0.5245 0.5245 0.5257 0.5257 4.4859 4.4859 4.4867 4.4867 6.5288 6.5288 6.5290 6.5290 7.7155 7.7155 7.7299 7.7299 8.2776 8.2776 8.2952 8.2952 8.6663 8.6663 8.7235 8.7235 8.9968 8.9968 9.0102 9.0102 9.5315 9.5315 9.5587 9.5587 11.2802 11.2802 11.3144 11.3144 12.5667 12.5667 12.5873 12.5873 13.5795 13.5795 k = 0.0882-0.0000 0.2662 ( 3308 PWs) bands (ev): -3.1351 -3.1351 -3.1348 -3.1348 0.5365 0.5365 0.5378 0.5378 4.5054 4.5054 4.5064 4.5064 6.5418 6.5418 6.5420 6.5420 7.6974 7.6974 7.7133 7.7133 8.2751 8.2751 8.2998 8.2998 8.6186 8.6186 8.6875 8.6875 8.9837 8.9837 9.0009 9.0009 9.5381 9.5381 9.5663 9.5663 11.1873 11.1873 11.2233 11.2233 12.5912 12.5912 12.6135 12.6135 13.5977 13.5977 k = 0.0980-0.0000 0.2662 ( 3294 PWs) bands (ev): -3.1119 -3.1119 -3.1117 -3.1117 0.5497 0.5497 0.5513 0.5513 4.5271 4.5271 4.5283 4.5283 6.5560 6.5560 6.5560 6.5560 7.6786 7.6786 7.6958 7.6958 8.2657 8.2657 8.2987 8.2987 8.5693 8.5693 8.6503 8.6503 8.9715 8.9715 8.9920 8.9920 9.5446 9.5446 9.5735 9.5735 11.0967 11.0967 11.1341 11.1341 12.6143 12.6143 12.6381 12.6381 13.6149 13.6149 k = 0.1078-0.0000 0.2662 ( 3296 PWs) bands (ev): -3.0864 -3.0864 -3.0861 -3.0861 0.5642 0.5642 0.5659 0.5659 4.5508 4.5508 4.5524 4.5524 6.5709 6.5709 6.5709 6.5709 7.6590 7.6590 7.6776 7.6776 8.2462 8.2462 8.2863 8.2863 8.5241 8.5241 8.6154 8.6154 8.9601 8.9601 8.9834 8.9834 9.5505 9.5505 9.5798 9.5798 11.0096 11.0096 11.0480 11.0480 12.6361 12.6361 12.6612 12.6612 13.6295 13.6295 k = 0.1176-0.0000 0.2662 ( 3294 PWs) bands (ev): -3.0585 -3.0585 -3.0582 -3.0582 0.5799 0.5799 0.5818 0.5818 4.5766 4.5766 4.5785 4.5785 6.5862 6.5862 6.5864 6.5864 7.6387 7.6387 7.6588 7.6588 8.2134 8.2134 8.2554 8.2554 8.4906 8.4906 8.5865 8.5865 8.9494 8.9494 8.9749 8.9749 9.5558 9.5558 9.5852 9.5852 10.9270 10.9270 10.9661 10.9661 12.6567 12.6567 12.6831 12.6831 13.6310 13.6310 k = 0.1275-0.0000 0.2662 ( 3294 PWs) bands (ev): -3.0283 -3.0283 -3.0280 -3.0280 0.5967 0.5967 0.5987 0.5987 4.6044 4.6044 4.6067 4.6067 6.6017 6.6017 6.6021 6.6021 7.6178 7.6178 7.6395 7.6395 8.1658 8.1658 8.2025 8.2025 8.4730 8.4730 8.5658 8.5658 8.9391 8.9391 8.9664 8.9664 9.5604 9.5604 9.5897 9.5897 10.8495 10.8495 10.8890 10.8890 12.6762 12.6762 12.7039 12.7039 13.6096 13.6096 k = 0.1373-0.0000 0.2662 ( 3298 PWs) bands (ev): -2.9957 -2.9957 -2.9954 -2.9954 0.6145 0.6145 0.6167 0.6167 4.6340 4.6340 4.6368 4.6368 6.6168 6.6168 6.6176 6.6176 7.5960 7.5960 7.6195 7.6195 8.1046 8.1046 8.1319 8.1319 8.4679 8.4679 8.5533 8.5533 8.9290 8.9290 8.9577 8.9577 9.5641 9.5641 9.5931 9.5931 10.7778 10.7778 10.8174 10.8174 12.6944 12.6944 12.7237 12.7237 13.5647 13.5647 k = 0.1471-0.0000 0.2662 ( 3298 PWs) bands (ev): -2.9609 -2.9609 -2.9606 -2.9606 0.6333 0.6333 0.6356 0.6356 4.6655 4.6655 4.6688 4.6688 6.6309 6.6309 6.6322 6.6322 7.5732 7.5732 7.5987 7.5987 8.0331 8.0331 8.0505 8.0505 8.4699 8.4699 8.5472 8.5472 8.9191 8.9191 8.9487 8.9487 9.5669 9.5669 9.5953 9.5953 10.7121 10.7121 10.7514 10.7514 12.7113 12.7113 12.7426 12.7426 13.4917 13.4917 k = 0.1569-0.0000 0.2662 ( 3294 PWs) bands (ev): -2.9239 -2.9239 -2.9235 -2.9235 0.6529 0.6529 0.6555 0.6555 4.6985 4.6985 4.7027 4.7027 6.6433 6.6433 6.6450 6.6450 7.5487 7.5487 7.5764 7.5764 7.9553 7.9553 7.9637 7.9637 8.4756 8.4756 8.5457 8.5457 8.9092 8.9092 8.9394 8.9394 9.5686 9.5686 9.5962 9.5962 10.6524 10.6524 10.6911 10.6911 12.7264 12.7264 12.7605 12.7605 13.3929 13.3929 k = 0.1667-0.0000 0.2662 ( 3302 PWs) bands (ev): -2.8847 -2.8847 -2.8843 -2.8843 0.6733 0.6733 0.6760 0.6760 4.7332 4.7332 4.7381 4.7381 6.6527 6.6527 6.6552 6.6552 7.5215 7.5215 7.5515 7.5515 7.8757 7.8757 7.8764 7.8764 8.4831 8.4831 8.5468 8.5468 8.8991 8.8991 8.9295 8.9295 9.5691 9.5691 9.5958 9.5958 10.5986 10.5986 10.6364 10.6364 12.7388 12.7388 12.7773 12.7773 13.2764 13.2764 k = 0.1765-0.0000 0.2662 ( 3306 PWs) bands (ev): -2.8433 -2.8433 -2.8429 -2.8429 0.6944 0.6944 0.6973 0.6973 4.7691 4.7691 4.7751 4.7751 6.6576 6.6576 6.6610 6.6610 7.4902 7.4902 7.5220 7.5220 7.7940 7.7940 7.7996 7.7996 8.4912 8.4912 8.5496 8.5496 8.8889 8.8889 8.9191 8.9191 9.5685 9.5685 9.5941 9.5941 10.5504 10.5504 10.5871 10.5871 12.7464 12.7464 12.7928 12.7928 13.1515 13.1515 k = 0.1863-0.0000 0.2662 ( 3310 PWs) bands (ev): -2.7997 -2.7997 -2.7993 -2.7993 0.7160 0.7160 0.7191 0.7191 4.8062 4.8062 4.8135 4.8135 6.6560 6.6560 6.6607 6.6607 7.4530 7.4530 7.4852 7.4852 7.7228 7.7228 7.7320 7.7320 8.4995 8.4995 8.5530 8.5530 8.8784 8.8784 8.9081 8.9081 9.5665 9.5665 9.5910 9.5910 10.5074 10.5074 10.5428 10.5428 12.7437 12.7437 12.8064 12.8064 13.0294 13.0294 k = 0.1961-0.0000 0.2662 ( 3318 PWs) bands (ev): -2.7541 -2.7541 -2.7537 -2.7537 0.7381 0.7381 0.7414 0.7414 4.8441 4.8441 4.8529 4.8529 6.6454 6.6454 6.6518 6.6518 7.4096 7.4096 7.4395 7.4395 7.6679 7.6679 7.6774 7.6774 8.5076 8.5076 8.5565 8.5565 8.8676 8.8676 8.8964 8.8964 9.5633 9.5633 9.5864 9.5864 10.4694 10.4694 10.5030 10.5030 12.7139 12.7139 12.8134 12.8134 12.8903 12.8903 k = 0.2059-0.0000 0.2662 ( 3318 PWs) bands (ev): -2.7065 -2.7065 -2.7061 -2.7061 0.7604 0.7604 0.7640 0.7640 4.8825 4.8825 4.8932 4.8932 6.6229 6.6229 6.6316 6.6316 7.3628 7.3628 7.3884 7.3884 7.6299 7.6299 7.6370 7.6370 8.5151 8.5151 8.5596 8.5596 8.8565 8.8565 8.8840 8.8840 9.5588 9.5588 9.5805 9.5805 10.4357 10.4357 10.4675 10.4675 12.6335 12.6335 12.7285 12.7285 12.8401 12.8401 k = 0.2157-0.0000 0.2662 ( 3312 PWs) bands (ev): -2.6569 -2.6569 -2.6565 -2.6565 0.7829 0.7829 0.7867 0.7867 4.9210 4.9210 4.9339 4.9339 6.5863 6.5863 6.5980 6.5980 7.3179 7.3179 7.3391 7.3391 7.6050 7.6050 7.6090 7.6090 8.5221 8.5221 8.5620 8.5620 8.8453 8.8453 8.8711 8.8711 9.5530 9.5530 9.5732 9.5732 10.4060 10.4060 10.4357 10.4357 12.5168 12.5168 12.5870 12.5870 12.8466 12.8466 k = 0.2255-0.0000 0.2662 ( 3316 PWs) bands (ev): -2.6055 -2.6055 -2.6050 -2.6050 0.8054 0.8054 0.8094 0.8094 4.9590 4.9590 4.9747 4.9747 6.5344 6.5344 6.5500 6.5500 7.2799 7.2799 7.2977 7.2977 7.5893 7.5893 7.5906 7.5906 8.5282 8.5282 8.5636 8.5636 8.8335 8.8335 8.8572 8.8572 9.5458 9.5458 9.5644 9.5644 10.3797 10.3797 10.4072 10.4072 12.3883 12.3883 12.4458 12.4458 12.8535 12.8535 k = 0.2353-0.0000 0.2662 ( 3316 PWs) bands (ev): -2.5522 -2.5522 -2.5517 -2.5517 0.8277 0.8277 0.8319 0.8319 4.9957 4.9957 5.0148 5.0148 6.4685 6.4685 6.4889 6.4889 7.2508 7.2508 7.2667 7.2667 7.5796 7.5796 7.5800 7.5800 8.5336 8.5336 8.5640 8.5640 8.8216 8.8216 8.8426 8.8426 9.5372 9.5372 9.5543 9.5543 10.3564 10.3564 10.3815 10.3815 12.2578 12.2578 12.3080 12.3080 12.8584 12.8584 k = 0.2451-0.0000 0.2662 ( 3314 PWs) bands (ev): -2.4971 -2.4971 -2.4966 -2.4966 0.8497 0.8497 0.8541 0.8541 5.0301 5.0301 5.0535 5.0535 6.3921 6.3921 6.4182 6.4182 7.2304 7.2304 7.2454 7.2454 7.5747 7.5747 7.5759 7.5759 8.5380 8.5380 8.5632 8.5632 8.8093 8.8093 8.8272 8.8272 9.5272 9.5272 9.5428 9.5428 10.3356 10.3356 10.3582 10.3582 12.1288 12.1288 12.1743 12.1743 12.8597 12.8597 k = 0.2549-0.0000 0.2662 ( 3326 PWs) bands (ev): -2.4405 -2.4405 -2.4399 -2.4399 0.8710 0.8710 0.8757 0.8757 5.0609 5.0609 5.0894 5.0894 6.3095 6.3095 6.3423 6.3423 7.2166 7.2166 7.2316 7.2316 7.5749 7.5749 7.5759 7.5759 8.5415 8.5415 8.5609 8.5609 8.7969 8.7969 8.8112 8.8112 9.5159 9.5159 9.5299 9.5299 10.3169 10.3169 10.3369 10.3369 12.0031 12.0031 12.0454 12.0454 12.8570 12.8570 k = 0.2647-0.0000 0.2662 ( 3318 PWs) bands (ev): -2.3822 -2.3822 -2.3817 -2.3817 0.8917 0.8917 0.8965 0.8965 5.0863 5.0863 5.1209 5.1209 6.2257 6.2257 6.2661 6.2661 7.2074 7.2074 7.2232 7.2232 7.5794 7.5794 7.5796 7.5796 8.5441 8.5441 8.5573 8.5573 8.7846 8.7846 8.7948 8.7948 9.5034 9.5034 9.5159 9.5159 10.3000 10.3000 10.3173 10.3173 11.8818 11.8818 11.9219 11.9219 12.8518 12.8518 k = 0.2745-0.0000 0.2662 ( 3322 PWs) bands (ev): -2.3226 -2.3226 -2.3220 -2.3220 0.9113 0.9113 0.9164 0.9164 5.1040 5.1040 5.1456 5.1456 6.1457 6.1457 6.1946 6.1946 7.2010 7.2010 7.2179 7.2179 7.5861 7.5861 7.5876 7.5876 8.5458 8.5458 8.5523 8.5523 8.7722 8.7722 8.7779 8.7779 9.4896 9.4896 9.5007 9.5007 10.2844 10.2844 10.2988 10.2988 11.7655 11.7655 11.8042 11.8042 12.8434 12.8434 k = 0.2843-0.0000 0.2662 ( 3318 PWs) bands (ev): -2.2616 -2.2616 -2.2610 -2.2610 0.9297 0.9297 0.9351 0.9351 5.1116 5.1116 5.1606 5.1606 6.0746 6.0746 6.1325 6.1325 7.1961 7.1961 7.2146 7.2146 7.5948 7.5948 7.5985 7.5985 8.5459 8.5459 8.5467 8.5467 8.7601 8.7601 8.7609 8.7609 9.4746 9.4746 9.4845 9.4845 10.2698 10.2698 10.2814 10.2814 11.6548 11.6548 11.6925 11.6925 12.8316 12.8316 k = 0.2941-0.0000 0.2662 ( 3310 PWs) bands (ev): -2.1995 -2.1995 -2.1989 -2.1989 0.9467 0.9467 0.9523 0.9523 5.1063 5.1063 5.1625 5.1625 6.0175 6.0175 6.0838 6.0838 7.1920 7.1920 7.2124 7.2124 7.6047 7.6047 7.6111 7.6111 8.5383 8.5383 8.5468 8.5468 8.7441 8.7441 8.7485 8.7485 9.4586 9.4586 9.4673 9.4673 10.2559 10.2559 10.2645 10.2645 11.5500 11.5500 11.5873 11.5873 12.8162 12.8162 k = 0.3039-0.0000 0.2662 ( 3306 PWs) bands (ev): -2.1363 -2.1363 -2.1357 -2.1357 0.9620 0.9620 0.9678 0.9678 5.0867 5.0867 5.1483 5.1483 5.9784 5.9784 6.0516 6.0516 7.1882 7.1882 7.2106 7.2106 7.6149 7.6149 7.6243 7.6243 8.5299 8.5299 8.5461 8.5461 8.7278 8.7278 8.7373 8.7373 9.4416 9.4416 9.4494 9.4494 10.2424 10.2424 10.2481 10.2481 11.4514 11.4514 11.4886 11.4886 12.7971 12.7971 k = 0.3137-0.0000 0.2662 ( 3294 PWs) bands (ev): -2.0723 -2.0723 -2.0717 -2.0717 0.9754 0.9754 0.9815 0.9815 5.0525 5.0525 5.1171 5.1171 5.9593 5.9593 6.0368 6.0368 7.1847 7.1847 7.2092 7.2092 7.6242 7.6242 7.6370 7.6370 8.5210 8.5210 8.5449 8.5449 8.7125 8.7125 8.7268 8.7268 9.4240 9.4240 9.4309 9.4309 10.2290 10.2290 10.2317 10.2317 11.3591 11.3591 11.3967 11.3967 12.7746 12.7746 k = 0.3235-0.0000 0.2662 ( 3294 PWs) bands (ev): -2.0077 -2.0077 -2.0070 -2.0070 0.9867 0.9867 0.9931 0.9931 5.0055 5.0055 5.0706 5.0706 5.9594 5.9594 6.0387 6.0387 7.1814 7.1814 7.2080 7.2080 7.6315 7.6315 7.6479 7.6479 8.5122 8.5122 8.5433 8.5433 8.6983 8.6983 8.7169 8.7169 9.4058 9.4058 9.4121 9.4121 10.2152 10.2152 10.2156 10.2156 11.2734 11.2734 11.3117 11.3117 12.7486 12.7486 k = 0.3333-0.0000 0.2662 ( 3296 PWs) bands (ev): -1.9426 -1.9426 -1.9419 -1.9419 0.9957 0.9957 1.0023 1.0023 4.9487 4.9487 5.0122 5.0122 5.9757 5.9757 6.0547 6.0547 7.1783 7.1783 7.2069 7.2069 7.6358 7.6358 7.6558 7.6558 8.5042 8.5042 8.5416 8.5416 8.6856 8.6856 8.7077 8.7077 9.3873 9.3873 9.3933 9.3933 10.1983 10.1983 10.2017 10.2017 11.1942 11.1942 11.2334 11.2334 12.7196 12.7196 k = 0.3431-0.0000 0.2662 ( 3294 PWs) bands (ev): -1.8773 -1.8773 -1.8767 -1.8767 1.0023 1.0023 1.0091 1.0091 4.8853 4.8853 4.9464 4.9464 6.0044 6.0044 6.0821 6.0821 7.1755 7.1755 7.2061 7.2061 7.6363 7.6363 7.6597 7.6597 8.4976 8.4976 8.5399 8.5399 8.6747 8.6747 8.6991 8.6991 9.3691 9.3691 9.3748 9.3748 10.1809 10.1809 10.1873 10.1873 11.1215 11.1215 11.1620 11.1620 12.6881 12.6881 k = 0.3529-0.0000 0.2662 ( 3294 PWs) bands (ev): -1.8122 -1.8122 -1.8115 -1.8115 1.0062 1.0062 1.0132 1.0132 4.8184 4.8184 4.8766 4.8766 6.0422 6.0422 6.1182 6.1182 7.1732 7.1732 7.2053 7.2053 7.6323 7.6323 7.6586 7.6586 8.4929 8.4929 8.5384 8.5384 8.6659 8.6659 8.6911 8.6911 9.3514 9.3514 9.3572 9.3572 10.1628 10.1628 10.1722 10.1722 11.0551 11.0551 11.0971 11.0971 12.6544 12.6544 k = 0.3627-0.0000 0.2662 ( 3288 PWs) bands (ev): -1.7475 -1.7475 -1.7468 -1.7468 1.0075 1.0075 1.0146 1.0146 4.7506 4.7506 4.8059 4.8059 6.0866 6.0866 6.1608 6.1608 7.1713 7.1713 7.2047 7.2047 7.6235 7.6235 7.6520 7.6520 8.4904 8.4904 8.5371 8.5371 8.6590 8.6590 8.6836 8.6836 9.3347 9.3347 9.3409 9.3409 10.1440 10.1440 10.1563 10.1563 10.9950 10.9950 11.0387 11.0387 12.6192 12.6192 k = 0.3725-0.0000 0.2662 ( 3288 PWs) bands (ev): -1.6835 -1.6835 -1.6828 -1.6828 1.0060 1.0060 1.0134 1.0134 4.6837 4.6837 4.7363 4.7363 6.1355 6.1355 6.2081 6.2081 7.1698 7.1698 7.2039 7.2039 7.6100 7.6100 7.6397 7.6397 8.4902 8.4902 8.5357 8.5357 8.6542 8.6542 8.6764 8.6764 9.3196 9.3196 9.3265 9.3265 10.1244 10.1244 10.1395 10.1395 10.9409 10.9409 10.9863 10.9863 12.5831 12.5831 k = 0.3824-0.0000 0.2662 ( 3282 PWs) bands (ev): -1.6207 -1.6207 -1.6200 -1.6200 1.0019 1.0019 1.0095 1.0095 4.6192 4.6192 4.6694 4.6694 6.1876 6.1876 6.2588 6.2588 7.1688 7.1688 7.2027 7.2027 7.5921 7.5921 7.6217 7.6217 8.4920 8.4920 8.5341 8.5341 8.6513 8.6513 8.6696 8.6696 9.3066 9.3066 9.3145 9.3145 10.1041 10.1041 10.1217 10.1217 10.8924 10.8924 10.9398 10.9398 12.5467 12.5467 k = 0.3922-0.0000 0.2662 ( 3294 PWs) bands (ev): -1.5595 -1.5595 -1.5588 -1.5588 0.9954 0.9954 1.0030 1.0030 4.5582 4.5582 4.6063 4.6063 6.2418 6.2418 6.3117 6.3117 7.1680 7.1680 7.2005 7.2005 7.5706 7.5706 7.5987 7.5987 8.4952 8.4952 8.5318 8.5318 8.6499 8.6499 8.6629 8.6629 9.2962 9.2962 9.3055 9.3055 10.0829 10.0829 10.1029 10.1029 10.8494 10.8494 10.8986 10.8986 12.5105 12.5105 k = 0.4020-0.0000 0.2662 ( 3298 PWs) bands (ev): -1.5005 -1.5005 -1.4997 -1.4997 0.9865 0.9865 0.9943 0.9943 4.5015 4.5015 4.5477 4.5477 6.2973 6.2973 6.3659 6.3659 7.1674 7.1674 7.1969 7.1969 7.5466 7.5466 7.5713 7.5713 8.4993 8.4993 8.5285 8.5285 8.6498 8.6498 8.6564 8.6564 9.2888 9.2888 9.3000 9.3000 10.0612 10.0612 10.0834 10.0834 10.8114 10.8114 10.8626 10.8626 12.4753 12.4753 k = 0.4118-0.0000 0.2662 ( 3298 PWs) bands (ev): -1.4441 -1.4441 -1.4433 -1.4433 0.9758 0.9758 0.9838 0.9838 4.4496 4.4496 4.4943 4.4943 6.3535 6.3535 6.4207 6.4207 7.1668 7.1668 7.1910 7.1910 7.5218 7.5218 7.5406 7.5406 8.5034 8.5034 8.5242 8.5242 8.6502 8.6502 8.6504 8.6504 9.2849 9.2849 9.2981 9.2981 10.0391 10.0391 10.0631 10.0631 10.7782 10.7782 10.8312 10.8312 12.4416 12.4416 k = 0.4216-0.0000 0.2662 ( 3290 PWs) bands (ev): -1.3909 -1.3909 -1.3901 -1.3901 0.9637 0.9637 0.9717 0.9717 4.4029 4.4029 4.4462 4.4462 6.4098 6.4098 6.4755 6.4755 7.1656 7.1656 7.1816 7.1816 7.4976 7.4976 7.5078 7.5078 8.5070 8.5070 8.5190 8.5190 8.6443 8.6443 8.6512 8.6512 9.2844 9.2844 9.3001 9.3001 10.0169 10.0169 10.0425 10.0425 10.7495 10.7495 10.8042 10.8042 12.4100 12.4100 k = 0.4314-0.0000 0.2662 ( 3298 PWs) bands (ev): -1.3417 -1.3417 -1.3409 -1.3409 0.9507 0.9507 0.9587 0.9587 4.3617 4.3617 4.4038 4.4038 6.4656 6.4656 6.5294 6.5294 7.1635 7.1635 7.1678 7.1678 7.4742 7.4742 7.4757 7.4757 8.5096 8.5096 8.5130 8.5130 8.6387 8.6387 8.6518 8.6518 9.2872 9.2872 9.3055 9.3055 9.9948 9.9948 10.0216 10.0216 10.7249 10.7249 10.7811 10.7811 12.3809 12.3809 k = 0.4412-0.0000 0.2662 ( 3302 PWs) bands (ev): -1.2970 -1.2970 -1.2962 -1.2962 0.9373 0.9373 0.9455 0.9455 4.3260 4.3260 4.3672 4.3672 6.5204 6.5204 6.5818 6.5818 7.1487 7.1487 7.1598 7.1598 7.4413 7.4413 7.4575 7.4575 8.5064 8.5064 8.5109 8.5109 8.6336 8.6336 8.6520 8.6520 9.2927 9.2927 9.3137 9.3137 9.9735 9.9735 10.0011 10.0011 10.7041 10.7041 10.7617 10.7617 12.3548 12.3548 k = 0.4510-0.0000 0.2662 ( 3294 PWs) bands (ev): -1.2577 -1.2577 -1.2568 -1.2568 0.9245 0.9245 0.9326 0.9326 4.2959 4.2959 4.3363 4.3363 6.5737 6.5737 6.6318 6.6318 7.1246 7.1246 7.1538 7.1538 7.4107 7.4107 7.4435 7.4435 8.4999 8.4999 8.5110 8.5110 8.6293 8.6293 8.6520 8.6520 9.3003 9.3003 9.3239 9.3239 9.9534 9.9534 9.9817 9.9817 10.6870 10.6870 10.7458 10.7458 12.3321 12.3321 k = 0.4608-0.0000 0.2662 ( 3286 PWs) bands (ev): -1.2243 -1.2243 -1.2234 -1.2234 0.9127 0.9127 0.9209 0.9209 4.2714 4.2714 4.3111 4.3111 6.6244 6.6244 6.6783 6.6783 7.0962 7.0962 7.1449 7.1449 7.3842 7.3842 7.4337 7.4337 8.4936 8.4936 8.5103 8.5103 8.6258 8.6258 8.6516 8.6516 9.3088 9.3088 9.3349 9.3349 9.9354 9.9354 9.9640 9.9640 10.6733 10.6733 10.7330 10.7330 12.3130 12.3130 k = 0.4706-0.0000 0.2662 ( 3294 PWs) bands (ev): -1.1975 -1.1975 -1.1966 -1.1966 0.9026 0.9026 0.9109 0.9109 4.2524 4.2524 4.2916 4.2916 6.6711 6.6711 6.7194 6.7194 7.0657 7.0657 7.1335 7.1335 7.3631 7.3631 7.4274 7.4274 8.4881 8.4881 8.5088 8.5088 8.6231 8.6231 8.6510 8.6510 9.3172 9.3172 9.3454 9.3454 9.9200 9.9200 9.9488 9.9488 10.6628 10.6628 10.7233 10.7233 12.2980 12.2980 k = 0.4804-0.0000 0.2662 ( 3298 PWs) bands (ev): -1.1779 -1.1779 -1.1770 -1.1770 0.8950 0.8950 0.9033 0.9033 4.2389 4.2389 4.2778 4.2778 6.7113 6.7113 6.7528 6.7528 7.0365 7.0365 7.1212 7.1212 7.3483 7.3483 7.4237 7.4237 8.4837 8.4837 8.5074 8.5074 8.6212 8.6212 8.6505 8.6505 9.3243 9.3243 9.3540 9.3540 9.9082 9.9082 9.9371 9.9371 10.6554 10.6554 10.7164 10.7164 12.2870 12.2870 k = 0.4902-0.0000 0.2662 ( 3294 PWs) bands (ev): -1.1660 -1.1660 -1.1651 -1.1651 0.8902 0.8902 0.8985 0.8985 4.2308 4.2308 4.2695 4.2695 6.7401 6.7401 6.7753 6.7753 7.0139 7.0139 7.1113 7.1113 7.3396 7.3396 7.4218 7.4218 8.4810 8.4810 8.5064 8.5064 8.6201 8.6201 8.6502 8.6502 9.3290 9.3290 9.3598 9.3598 9.9008 9.9008 9.9296 9.9296 10.6510 10.6510 10.7124 10.7124 12.2804 12.2804 k = 0.5000-0.0000 0.2662 ( 3292 PWs) bands (ev): -1.1620 -1.1620 -1.1610 -1.1610 0.8886 0.8886 0.8969 0.8969 4.2281 4.2281 4.2667 4.2667 6.7510 6.7510 6.7833 6.7833 7.0051 7.0051 7.1074 7.1074 7.3367 7.3367 7.4212 7.4212 8.4801 8.4801 8.5060 8.5060 8.6197 8.6197 8.6501 8.6501 9.3306 9.3306 9.3618 9.3618 9.8983 9.8983 9.9271 9.9271 10.6496 10.6496 10.7111 10.7111 12.2782 12.2782 k = 0.5000-0.0000 0.2662 ( 3292 PWs) bands (ev): -1.1620 -1.1620 -1.1610 -1.1610 0.8886 0.8886 0.8969 0.8969 4.2281 4.2281 4.2667 4.2667 6.7510 6.7510 6.7833 6.7833 7.0051 7.0051 7.1074 7.1074 7.3367 7.3367 7.4212 7.4212 8.4801 8.4801 8.5060 8.5060 8.6197 8.6197 8.6501 8.6501 9.3306 9.3306 9.3618 9.3618 9.8983 9.8983 9.9271 9.9271 10.6496 10.6496 10.7111 10.7111 12.2782 12.2782 k = 0.5000 0.0097 0.2662 ( 3296 PWs) bands (ev): -1.1616 -1.1616 -1.1606 -1.1606 0.8887 0.8887 0.8970 0.8970 4.2269 4.2269 4.2654 4.2654 6.7448 6.7448 6.7761 6.7761 7.0072 7.0072 7.1097 7.1097 7.3365 7.3365 7.4199 7.4199 8.4847 8.4847 8.5102 8.5102 8.6205 8.6205 8.6510 8.6510 9.3291 9.3291 9.3599 9.3599 9.8985 9.8985 9.9271 9.9271 10.6543 10.6543 10.7154 10.7154 12.2822 12.2822 k = 0.5000 0.0193 0.2662 ( 3300 PWs) bands (ev): -1.1604 -1.1604 -1.1594 -1.1594 0.8892 0.8892 0.8974 0.8974 4.2233 4.2233 4.2614 4.2614 6.7265 6.7265 6.7549 6.7549 7.0135 7.0135 7.1164 7.1164 7.3360 7.3360 7.4161 7.4161 8.4981 8.4981 8.5225 8.5225 8.6229 8.6229 8.6540 8.6540 9.3245 9.3245 9.3543 9.3543 9.8992 9.8992 9.9272 9.9272 10.6683 10.6683 10.7281 10.7281 12.2942 12.2942 k = 0.5000 0.0290 0.2662 ( 3292 PWs) bands (ev): -1.1583 -1.1583 -1.1574 -1.1574 0.8899 0.8899 0.8981 0.8981 4.2174 4.2174 4.2549 4.2549 6.6966 6.6966 6.7209 6.7209 7.0236 7.0236 7.1270 7.1270 7.3354 7.3354 7.4107 7.4107 8.5191 8.5191 8.5420 8.5420 8.6270 8.6270 8.6592 8.6592 9.3173 9.3173 9.3454 9.3454 9.9004 9.9004 9.9273 9.9273 10.6914 10.6914 10.7493 10.7493 12.3139 12.3139 k = 0.5000 0.0387 0.2662 ( 3292 PWs) bands (ev): -1.1555 -1.1555 -1.1546 -1.1546 0.8909 0.8909 0.8990 0.8990 4.2095 4.2095 4.2461 4.2461 6.6558 6.6558 6.6753 6.6753 7.0371 7.0371 7.1408 7.1408 7.3351 7.3351 7.4046 7.4046 8.5456 8.5456 8.5673 8.5673 8.6325 8.6325 8.6665 8.6665 9.3081 9.3081 9.3338 9.3338 9.9018 9.9018 9.9275 9.9275 10.7233 10.7233 10.7786 10.7786 12.3412 12.3412 k = 0.5000 0.0484 0.2662 ( 3292 PWs) bands (ev): -1.1519 -1.1519 -1.1510 -1.1510 0.8922 0.8922 0.9002 0.9002 4.1996 4.1996 4.2353 4.2353 6.6050 6.6050 6.6199 6.6199 7.0537 7.0537 7.1573 7.1573 7.3352 7.3352 7.3986 7.3986 8.5755 8.5755 8.5964 8.5964 8.6398 8.6398 8.6768 8.6768 9.2976 9.2976 9.3203 9.3203 9.9034 9.9034 9.9276 9.9276 10.7632 10.7632 10.8155 10.8155 12.3757 12.3757 k = 0.5000 0.0580 0.2662 ( 3292 PWs) bands (ev): -1.1475 -1.1475 -1.1466 -1.1466 0.8936 0.8936 0.9015 0.9015 4.1883 4.1883 4.2227 4.2227 6.5454 6.5454 6.5559 6.5559 7.0729 7.0729 7.1760 7.1760 7.3360 7.3360 7.3936 7.3936 8.6056 8.6056 8.6262 8.6262 8.6504 8.6504 8.6908 8.6908 9.2867 9.2867 9.3059 9.3059 9.9050 9.9050 9.9278 9.9278 10.8107 10.8107 10.8597 10.8597 12.4169 12.4169 k = 0.5000 0.0677 0.2662 ( 3296 PWs) bands (ev): -1.1425 -1.1425 -1.1416 -1.1416 0.8953 0.8953 0.9030 0.9030 4.1757 4.1757 4.2088 4.2088 6.4782 6.4782 6.4848 6.4848 7.0943 7.0943 7.1965 7.1965 7.3376 7.3376 7.3899 7.3899 8.6329 8.6329 8.6471 8.6471 8.6716 8.6716 8.7097 8.7097 9.2765 9.2765 9.2917 9.2917 9.9067 9.9067 9.9279 9.9279 10.8652 10.8652 10.9107 10.9107 12.4642 12.4642 k = 0.5000 0.0774 0.2662 ( 3296 PWs) bands (ev): -1.1367 -1.1367 -1.1358 -1.1358 0.8970 0.8970 0.9046 0.9046 4.1622 4.1622 4.1939 4.1939 6.4046 6.4046 6.4080 6.4080 7.1176 7.1176 7.2184 7.2184 7.3401 7.3401 7.3878 7.3878 8.6551 8.6551 8.6587 8.6587 8.7024 8.7024 8.7339 8.7339 9.2680 9.2680 9.2787 9.2787 9.9084 9.9084 9.9281 9.9281 10.9262 10.9262 10.9681 10.9681 12.5168 12.5168 k = 0.5000 0.0871 0.2662 ( 3296 PWs) bands (ev): -1.1303 -1.1303 -1.1295 -1.1295 0.8988 0.8988 0.9063 0.9063 4.1483 4.1483 4.1785 4.1785 6.3257 6.3257 6.3265 6.3265 7.1422 7.1422 7.2414 7.2414 7.3435 7.3435 7.3873 7.3873 8.6683 8.6683 8.6726 8.6726 8.7337 8.7337 8.7612 8.7612 9.2625 9.2625 9.2683 9.2683 9.9100 9.9100 9.9283 9.9283 10.9932 10.9932 11.0313 11.0313 12.5738 12.5738 k = 0.5000 0.0967 0.2662 ( 3300 PWs) bands (ev): -1.1233 -1.1233 -1.1225 -1.1225 0.9007 0.9007 0.9079 0.9079 4.1344 4.1344 4.1629 4.1629 6.2413 6.2413 6.2427 6.2427 7.1678 7.1678 7.2650 7.2650 7.3477 7.3477 7.3883 7.3883 8.6771 8.6771 8.6870 8.6870 8.7627 8.7627 8.7882 8.7882 9.2609 9.2609 9.2619 9.2619 9.9115 9.9115 9.9286 9.9286 11.0655 11.0655 11.1000 11.1000 12.6340 12.6340 k = 0.5000 0.1064 0.2662 ( 3300 PWs) bands (ev): -1.1158 -1.1158 -1.1150 -1.1150 0.9025 0.9025 0.9096 0.9096 4.1208 4.1208 4.1477 4.1477 6.1535 6.1535 6.1564 6.1564 7.1938 7.1938 7.2887 7.2887 7.3531 7.3531 7.3909 7.3909 8.6851 8.6851 8.6994 8.6994 8.7883 8.7883 8.8121 8.8121 9.2609 9.2609 9.2644 9.2644 9.9129 9.9129 9.9288 9.9288 11.1428 11.1428 11.1737 11.1737 12.6962 12.6962 k = 0.5000 0.1161 0.2662 ( 3304 PWs) bands (ev): -1.1078 -1.1078 -1.1070 -1.1070 0.9043 0.9043 0.9111 0.9111 4.1080 4.1080 4.1332 4.1332 6.0636 6.0636 6.0678 6.0678 7.2198 7.2198 7.3119 7.3119 7.3597 7.3597 7.3949 7.3949 8.6918 8.6918 8.7103 8.7103 8.8097 8.8097 8.8313 8.8313 9.2662 9.2662 9.2737 9.2737 9.9142 9.9142 9.9290 9.9290 11.2246 11.2246 11.2520 11.2520 12.7587 12.7587 k = 0.5000 0.1258 0.2662 ( 3292 PWs) bands (ev): -1.0994 -1.0994 -1.0986 -1.0986 0.9060 0.9060 0.9125 0.9125 4.0963 4.0963 4.1199 4.1199 5.9725 5.9725 5.9775 5.9775 7.2455 7.2455 7.3333 7.3333 7.3684 7.3684 7.4004 7.4004 8.6972 8.6972 8.7199 8.7199 8.8267 8.8267 8.8450 8.8450 9.2787 9.2787 9.2890 9.2890 9.9156 9.9156 9.9294 9.9294 11.3105 11.3105 11.3343 11.3343 12.8197 12.8197 k = 0.5000 0.1354 0.2662 ( 3284 PWs) bands (ev): -1.0906 -1.0906 -1.0898 -1.0898 0.9075 0.9075 0.9138 0.9138 4.0862 4.0862 4.1081 4.1081 5.8805 5.8805 5.8863 5.8863 7.2702 7.2702 7.3511 7.3511 7.3807 7.3807 7.4071 7.4071 8.7009 8.7009 8.7279 8.7279 8.8398 8.8398 8.8532 8.8532 9.2980 9.2980 9.3102 9.3102 9.9169 9.9169 9.9299 9.9299 11.4000 11.4000 11.4203 11.4203 12.8774 12.8774 k = 0.5000 0.1451 0.2662 ( 3284 PWs) bands (ev): -1.0815 -1.0815 -1.0808 -1.0808 0.9088 0.9088 0.9148 0.9148 4.0780 4.0780 4.0983 4.0983 5.7884 5.7884 5.7946 5.7946 7.2937 7.2937 7.3642 7.3642 7.3973 7.3973 7.4152 7.4152 8.7030 8.7030 8.7344 8.7344 8.8492 8.8492 8.8568 8.8568 9.3235 9.3235 9.3367 9.3367 9.9181 9.9181 9.9303 9.9303 11.4925 11.4925 11.5094 11.5094 12.9294 12.9294 k = 0.5000 0.1548 0.2662 ( 3284 PWs) bands (ev): -1.0723 -1.0723 -1.0716 -1.0716 0.9099 0.9099 0.9155 0.9155 4.0720 4.0720 4.0906 4.0906 5.6964 5.6964 5.7029 5.7029 7.3157 7.3157 7.3743 7.3743 7.4161 7.4161 7.4245 7.4245 8.7035 8.7035 8.7393 8.7393 8.8559 8.8559 8.8568 8.8568 9.3542 9.3542 9.3676 9.3676 9.9192 9.9192 9.9307 9.9307 11.5876 11.5876 11.6011 11.6011 12.9740 12.9740 k = 0.5000 0.1644 0.2662 ( 3276 PWs) bands (ev): -1.0629 -1.0629 -1.0622 -1.0622 0.9107 0.9107 0.9160 0.9160 4.0685 4.0685 4.0856 4.0856 5.6051 5.6051 5.6117 5.6117 7.3358 7.3358 7.3833 7.3833 7.4349 7.4349 7.4351 7.4351 8.7028 8.7028 8.7425 8.7425 8.8545 8.8545 8.8602 8.8602 9.3888 9.3888 9.4022 9.4022 9.9205 9.9205 9.9312 9.9312 11.6848 11.6848 11.6950 11.6950 13.0093 13.0093 k = 0.5000 0.1741 0.2662 ( 3280 PWs) bands (ev): -1.0535 -1.0535 -1.0529 -1.0529 0.9112 0.9112 0.9163 0.9163 4.0678 4.0678 4.0833 4.0833 5.5147 5.5147 5.5213 5.5213 7.3541 7.3541 7.3919 7.3919 7.4461 7.4461 7.4533 7.4533 8.7010 8.7010 8.7442 8.7442 8.8506 8.8506 8.8626 8.8626 9.4263 9.4263 9.4393 9.4393 9.9216 9.9216 9.9318 9.9318 11.7835 11.7835 11.7902 11.7902 13.0342 13.0342 k = 0.5000 0.1838 0.2662 ( 3280 PWs) bands (ev): -1.0442 -1.0442 -1.0436 -1.0436 0.9115 0.9115 0.9162 0.9162 4.0701 4.0701 4.0842 4.0842 5.4256 5.4256 5.4321 5.4321 7.3705 7.3705 7.4005 7.4005 7.4579 7.4579 7.4700 7.4700 8.6988 8.6988 8.7447 8.7447 8.8458 8.8458 8.8633 8.8633 9.4656 9.4656 9.4783 9.4783 9.9228 9.9228 9.9324 9.9324 11.8831 11.8831 11.8863 11.8863 13.0487 13.0487 k = 0.5000 0.1935 0.2662 ( 3284 PWs) bands (ev): -1.0351 -1.0351 -1.0345 -1.0345 0.9115 0.9115 0.9158 0.9158 4.0756 4.0756 4.0883 4.0883 5.3381 5.3381 5.3445 5.3445 7.3854 7.3854 7.4091 7.4091 7.4698 7.4698 7.4852 7.4852 8.6965 8.6965 8.7443 8.7443 8.8403 8.8403 8.8625 8.8625 9.5060 9.5060 9.5184 9.5184 9.9240 9.9240 9.9331 9.9331 11.9823 11.9823 11.9826 11.9826 13.0536 13.0536 k = 0.5000 0.2031 0.2662 ( 3284 PWs) bands (ev): -1.0262 -1.0262 -1.0257 -1.0257 0.9112 0.9112 0.9153 0.9153 4.0846 4.0846 4.0958 4.0958 5.2524 5.2524 5.2585 5.2585 7.3989 7.3989 7.4176 7.4176 7.4814 7.4814 7.4986 7.4986 8.6946 8.6946 8.7435 8.7435 8.8344 8.8344 8.8605 8.8605 9.5467 9.5467 9.5587 9.5587 9.9253 9.9253 9.9339 9.9339 12.0771 12.0771 12.0811 12.0811 13.0509 13.0509 k = 0.5000 0.2128 0.2662 ( 3280 PWs) bands (ev): -1.0176 -1.0176 -1.0172 -1.0172 0.9108 0.9108 0.9144 0.9144 4.0970 4.0970 4.1069 4.1069 5.1688 5.1688 5.1747 5.1747 7.4113 7.4113 7.4261 7.4261 7.4923 7.4923 7.5102 7.5102 8.6933 8.6933 8.7428 8.7428 8.8279 8.8279 8.8571 8.8571 9.5870 9.5870 9.5986 9.5986 9.9266 9.9266 9.9348 9.9348 12.1693 12.1693 12.1770 12.1770 13.0434 13.0434 k = 0.5000 0.2225 0.2662 ( 3292 PWs) bands (ev): -1.0096 -1.0096 -1.0091 -1.0091 0.9102 0.9102 0.9134 0.9134 4.1129 4.1129 4.1216 4.1216 5.0877 5.0877 5.0932 5.0932 7.4227 7.4227 7.4344 7.4344 7.5021 7.5021 7.5199 7.5199 8.6928 8.6928 8.7423 8.7423 8.8209 8.8209 8.8526 8.8526 9.6261 9.6261 9.6373 9.6373 9.9280 9.9280 9.9358 9.9358 12.2570 12.2570 12.2685 12.2685 13.0350 13.0350 k = 0.5000 0.2322 0.2662 ( 3292 PWs) bands (ev): -1.0021 -1.0021 -1.0017 -1.0017 0.9094 0.9094 0.9123 0.9123 4.1324 4.1324 4.1399 4.1399 5.0092 5.0092 5.0143 5.0143 7.4334 7.4334 7.4426 7.4426 7.5108 7.5108 7.5278 7.5278 8.6933 8.6933 8.7425 8.7425 8.8134 8.8134 8.8471 8.8471 9.6634 9.6634 9.6741 9.6741 9.9297 9.9297 9.9370 9.9370 12.3375 12.3375 12.3527 12.3527 13.0302 13.0302 k = 0.5000 0.2418 0.2662 ( 3296 PWs) bands (ev): -0.9952 -0.9952 -0.9948 -0.9948 0.9086 0.9086 0.9111 0.9111 4.1554 4.1554 4.1617 4.1617 4.9337 4.9337 4.9384 4.9384 7.4434 7.4434 7.4504 7.4504 7.5181 7.5181 7.5339 7.5339 8.6950 8.6950 8.7434 8.7434 8.8055 8.8055 8.8406 8.8406 9.6981 9.6981 9.7082 9.7082 9.9315 9.9315 9.9383 9.9383 12.4078 12.4078 12.4260 12.4260 13.0343 13.0343 k = 0.5000 0.2515 0.2662 ( 3296 PWs) bands (ev): -0.9890 -0.9890 -0.9887 -0.9887 0.9077 0.9077 0.9099 0.9099 4.1818 4.1818 4.1870 4.1870 4.8616 4.8616 4.8658 4.8658 7.4525 7.4525 7.4578 7.4578 7.5242 7.5242 7.5383 7.5383 8.6978 8.6978 8.7452 8.7452 8.7973 8.7973 8.8335 8.8335 9.7296 9.7296 9.7390 9.7390 9.9336 9.9336 9.9398 9.9398 12.4646 12.4646 12.4843 12.4843 13.0526 13.0526 k = 0.5000 0.2612 0.2662 ( 3296 PWs) bands (ev): -0.9836 -0.9836 -0.9834 -0.9834 0.9069 0.9069 0.9087 0.9087 4.2111 4.2111 4.2153 4.2153 4.7934 4.7934 4.7970 4.7970 7.4608 7.4608 7.4647 7.4647 7.5289 7.5289 7.5413 7.5413 8.7019 8.7019 8.7477 8.7477 8.7891 8.7891 8.8257 8.8257 9.7573 9.7573 9.7656 9.7656 9.9360 9.9360 9.9415 9.9415 12.5061 12.5061 12.5252 12.5252 13.0886 13.0886 k = 0.5000 0.2708 0.2662 ( 3300 PWs) bands (ev): -0.9791 -0.9791 -0.9789 -0.9789 0.9062 0.9062 0.9077 0.9077 4.2429 4.2429 4.2461 4.2461 4.7297 4.7297 4.7328 4.7328 7.4680 7.4680 7.4707 7.4707 7.5326 7.5326 7.5429 7.5429 8.7070 8.7070 8.7504 8.7504 8.7814 8.7814 8.8176 8.8176 9.7805 9.7805 9.7877 9.7877 9.9386 9.9386 9.9433 9.9433 12.5331 12.5331 12.5496 12.5496 13.1419 13.1419 k = 0.5000 0.2805 0.2662 ( 3312 PWs) bands (ev): -0.9756 -0.9756 -0.9754 -0.9754 0.9056 0.9056 0.9067 0.9067 4.2759 4.2759 4.2781 4.2781 4.6721 4.6721 4.6745 4.6745 7.4740 7.4740 7.4757 7.4757 7.5354 7.5354 7.5434 7.5434 8.7130 8.7130 8.7517 8.7517 8.7758 8.7758 8.8091 8.8091 9.7990 9.7990 9.8046 9.8046 9.9414 9.9414 9.9451 9.9451 12.5487 12.5487 12.5615 12.5615 13.2085 13.2085 k = 0.5000 0.2902 0.2662 ( 3312 PWs) bands (ev): -0.9730 -0.9730 -0.9729 -0.9729 0.9052 0.9052 0.9060 0.9060 4.3076 4.3076 4.3090 4.3090 4.6229 4.6229 4.6246 4.6246 7.4786 7.4786 7.4795 7.4795 7.5376 7.5376 7.5431 7.5431 8.7200 8.7200 8.7493 8.7493 8.7751 8.7751 8.8008 8.8008 9.8125 9.8125 9.8164 9.8164 9.9440 9.9440 9.9465 9.9465 12.5571 12.5571 12.5657 12.5657 13.2822 13.2822 k = 0.5000 0.2999 0.2662 ( 3312 PWs) bands (ev): -0.9714 -0.9714 -0.9713 -0.9713 0.9051 0.9051 0.9054 0.9054 4.3329 4.3329 4.3335 4.3335 4.5873 4.5873 4.5883 4.5883 7.4815 7.4815 7.4819 7.4819 7.5394 7.5394 7.5422 7.5422 8.7275 8.7275 8.7431 8.7431 8.7790 8.7790 8.7927 8.7927 9.8209 9.8209 9.8229 9.8229 9.9460 9.9460 9.9473 9.9473 12.5616 12.5616 12.5659 12.5659 13.3531 13.3531 k = 0.5000 0.3095 0.2662 ( 3320 PWs) bands (ev): -0.9709 -0.9709 -0.9709 -0.9709 0.9051 0.9051 0.9051 0.9051 4.3433 4.3433 4.3433 4.3433 4.5740 4.5740 4.5740 4.5740 7.4826 7.4826 7.4826 7.4826 7.5409 7.5409 7.5409 7.5409 8.7354 8.7354 8.7354 8.7354 8.7852 8.7852 8.7852 8.7852 9.8244 9.8244 9.8244 9.8244 9.9471 9.9471 9.9471 9.9471 12.5643 12.5643 12.5643 12.5643 13.3941 13.3941 k = 0.5000 0.3095 0.2662 ( 3320 PWs) bands (ev): -0.9709 -0.9709 -0.9709 -0.9709 0.9051 0.9051 0.9051 0.9051 4.3433 4.3433 4.3433 4.3433 4.5740 4.5740 4.5740 4.5740 7.4826 7.4826 7.4826 7.4826 7.5409 7.5409 7.5409 7.5409 8.7354 8.7354 8.7354 8.7354 8.7852 8.7852 8.7852 8.7852 9.8244 9.8244 9.8244 9.8244 9.9471 9.9471 9.9471 9.9471 12.5643 12.5643 12.5643 12.5643 13.3941 13.3941 k = 0.4902 0.3095 0.2662 ( 3316 PWs) bands (ev): -0.9730 -0.9730 -0.9730 -0.9730 0.9012 0.9012 0.9012 0.9012 4.3470 4.3470 4.3470 4.3470 4.5792 4.5792 4.5792 4.5792 7.4819 7.4819 7.4819 7.4819 7.5419 7.5419 7.5419 7.5419 8.7353 8.7353 8.7353 8.7353 8.7852 8.7852 8.7852 8.7852 9.8230 9.8230 9.8230 9.8230 9.9468 9.9468 9.9468 9.9468 12.5589 12.5589 12.5589 12.5589 13.4018 13.4018 k = 0.4804 0.3095 0.2662 ( 3316 PWs) bands (ev): -0.9795 -0.9795 -0.9795 -0.9795 0.8894 0.8894 0.8894 0.8894 4.3581 4.3581 4.3581 4.3581 4.5944 4.5944 4.5944 4.5944 7.4797 7.4797 7.4797 7.4797 7.5452 7.5452 7.5452 7.5452 8.7351 8.7351 8.7351 8.7351 8.7851 8.7851 8.7851 8.7851 9.8190 9.8190 9.8190 9.8190 9.9456 9.9456 9.9456 9.9456 12.5436 12.5436 12.5436 12.5436 13.4244 13.4244 k = 0.4706 0.3095 0.2662 ( 3312 PWs) bands (ev): -0.9902 -0.9902 -0.9902 -0.9902 0.8701 0.8701 0.8701 0.8701 4.3764 4.3764 4.3764 4.3764 4.6196 4.6196 4.6196 4.6196 7.4762 7.4762 7.4762 7.4762 7.5506 7.5506 7.5506 7.5506 8.7347 8.7347 8.7347 8.7347 8.7849 8.7849 8.7849 8.7849 9.8122 9.8122 9.8122 9.8122 9.9437 9.9437 9.9437 9.9437 12.5198 12.5198 12.5198 12.5198 13.4595 13.4595 k = 0.4608 0.3095 0.2662 ( 3304 PWs) bands (ev): -1.0050 -1.0050 -1.0050 -1.0050 0.8436 0.8436 0.8436 0.8436 4.4019 4.4019 4.4019 4.4019 4.6541 4.6541 4.6541 4.6541 7.4713 7.4713 7.4713 7.4713 7.5583 7.5583 7.5583 7.5583 8.7342 8.7342 8.7342 8.7342 8.7846 8.7846 8.7846 8.7846 9.8028 9.8028 9.8028 9.8028 9.9412 9.9412 9.9412 9.9412 12.4897 12.4897 12.4897 12.4897 13.4999 13.4999 k = 0.4510 0.3095 0.2662 ( 3312 PWs) bands (ev): -1.0238 -1.0238 -1.0238 -1.0238 0.8104 0.8104 0.8104 0.8104 4.4343 4.4343 4.4343 4.4343 4.6973 4.6973 4.6973 4.6973 7.4652 7.4652 7.4652 7.4652 7.5682 7.5682 7.5682 7.5682 8.7333 8.7333 8.7333 8.7333 8.7843 8.7843 8.7843 8.7843 9.7909 9.7909 9.7909 9.7909 9.9382 9.9382 9.9382 9.9382 12.4552 12.4552 12.4552 12.4552 13.5022 13.5022 k = 0.4412 0.3095 0.2662 ( 3312 PWs) bands (ev): -1.0463 -1.0463 -1.0463 -1.0463 0.7712 0.7712 0.7712 0.7712 4.4733 4.4733 4.4733 4.4733 4.7485 4.7485 4.7485 4.7485 7.4582 7.4582 7.4582 7.4582 7.5805 7.5805 7.5805 7.5805 8.7320 8.7320 8.7320 8.7320 8.7841 8.7841 8.7841 8.7841 9.7767 9.7767 9.7767 9.7767 9.9350 9.9350 9.9350 9.9350 12.4180 12.4180 12.4180 12.4180 13.4768 13.4768 k = 0.4314 0.3095 0.2662 ( 3308 PWs) bands (ev): -1.0723 -1.0723 -1.0723 -1.0723 0.7264 0.7264 0.7264 0.7264 4.5186 4.5186 4.5186 4.5186 4.8067 4.8067 4.8067 4.8067 7.4506 7.4506 7.4506 7.4506 7.5951 7.5951 7.5951 7.5951 8.7303 8.7303 8.7303 8.7303 8.7839 8.7839 8.7839 8.7839 9.7603 9.7603 9.7603 9.7603 9.9317 9.9317 9.9317 9.9317 12.3795 12.3795 12.3795 12.3795 13.4445 13.4445 k = 0.4216 0.3095 0.2662 ( 3308 PWs) bands (ev): -1.1017 -1.1017 -1.1017 -1.1017 0.6768 0.6768 0.6768 0.6768 4.5698 4.5698 4.5698 4.5698 4.8709 4.8709 4.8709 4.8709 7.4428 7.4428 7.4428 7.4428 7.6119 7.6119 7.6119 7.6119 8.7279 8.7279 8.7279 8.7279 8.7839 8.7839 8.7839 8.7839 9.7420 9.7420 9.7420 9.7420 9.9284 9.9284 9.9284 9.9284 12.3407 12.3407 12.3407 12.3407 13.4070 13.4070 k = 0.4118 0.3095 0.2662 ( 3300 PWs) bands (ev): -1.1339 -1.1339 -1.1339 -1.1339 0.6231 0.6231 0.6231 0.6231 4.6266 4.6266 4.6266 4.6266 4.9402 4.9402 4.9402 4.9402 7.4352 7.4352 7.4352 7.4352 7.6310 7.6310 7.6310 7.6310 8.7249 8.7249 8.7249 8.7249 8.7842 8.7842 8.7842 8.7842 9.7221 9.7221 9.7221 9.7221 9.9255 9.9255 9.9255 9.9255 12.3022 12.3022 12.3022 12.3022 13.3649 13.3649 k = 0.4020 0.3095 0.2662 ( 3288 PWs) bands (ev): -1.1689 -1.1689 -1.1689 -1.1689 0.5658 0.5658 0.5658 0.5658 4.6884 4.6884 4.6884 4.6884 5.0133 5.0133 5.0133 5.0133 7.4285 7.4285 7.4285 7.4285 7.6524 7.6524 7.6524 7.6524 8.7212 8.7212 8.7212 8.7212 8.7847 8.7847 8.7847 8.7847 9.7009 9.7009 9.7009 9.7009 9.9230 9.9230 9.9230 9.9230 12.2646 12.2646 12.2646 12.2646 13.3186 13.3186 k = 0.3922 0.3095 0.2662 ( 3292 PWs) bands (ev): -1.2064 -1.2064 -1.2064 -1.2064 0.5056 0.5056 0.5056 0.5056 4.7549 4.7549 4.7549 4.7549 5.0892 5.0892 5.0892 5.0892 7.4230 7.4230 7.4230 7.4230 7.6758 7.6758 7.6758 7.6758 8.7165 8.7165 8.7165 8.7165 8.7854 8.7854 8.7854 8.7854 9.6788 9.6788 9.6788 9.6788 9.9210 9.9210 9.9210 9.9210 12.2282 12.2282 12.2282 12.2282 13.2686 13.2686 k = 0.3824 0.3095 0.2662 ( 3296 PWs) bands (ev): -1.2459 -1.2459 -1.2459 -1.2459 0.4430 0.4430 0.4430 0.4430 4.8256 4.8256 4.8256 4.8256 5.1667 5.1667 5.1667 5.1667 7.4195 7.4195 7.4195 7.4195 7.7012 7.7012 7.7012 7.7012 8.7110 8.7110 8.7110 8.7110 8.7866 8.7866 8.7866 8.7866 9.6562 9.6562 9.6562 9.6562 9.9199 9.9199 9.9199 9.9199 12.1933 12.1933 12.1933 12.1933 13.2152 13.2152 k = 0.3725 0.3095 0.2662 ( 3288 PWs) bands (ev): -1.2873 -1.2873 -1.2873 -1.2873 0.3785 0.3785 0.3785 0.3785 4.9000 4.9000 4.9000 4.9000 5.2445 5.2445 5.2445 5.2445 7.4187 7.4187 7.4187 7.4187 7.7286 7.7286 7.7286 7.7286 8.7046 8.7046 8.7046 8.7046 8.7881 8.7881 8.7881 8.7881 9.6336 9.6336 9.6336 9.6336 9.9199 9.9199 9.9199 9.9199 12.1600 12.1600 12.1600 12.1600 13.1590 13.1590 k = 0.3627 0.3095 0.2662 ( 3296 PWs) bands (ev): -1.3302 -1.3302 -1.3302 -1.3302 0.3127 0.3127 0.3127 0.3127 4.9776 4.9776 4.9776 4.9776 5.3213 5.3213 5.3213 5.3213 7.4213 7.4213 7.4213 7.4213 7.7576 7.7576 7.7576 7.7576 8.6973 8.6973 8.6973 8.6973 8.7900 8.7900 8.7900 8.7900 9.6112 9.6112 9.6112 9.6112 9.9212 9.9212 9.9212 9.9212 12.1285 12.1285 12.1285 12.1285 13.1003 13.1003 k = 0.3529 0.3095 0.2662 ( 3296 PWs) bands (ev): -1.3744 -1.3744 -1.3744 -1.3744 0.2459 0.2459 0.2459 0.2459 5.0579 5.0579 5.0579 5.0579 5.3959 5.3959 5.3959 5.3959 7.4282 7.4282 7.4282 7.4282 7.7883 7.7883 7.7883 7.7883 8.6891 8.6891 8.6891 8.6891 8.7925 8.7925 8.7925 8.7925 9.5897 9.5897 9.5897 9.5897 9.9241 9.9241 9.9241 9.9241 12.0989 12.0989 12.0989 12.0989 13.0397 13.0397 k = 0.3431 0.3095 0.2662 ( 3300 PWs) bands (ev): -1.4196 -1.4196 -1.4196 -1.4196 0.1786 0.1786 0.1786 0.1786 5.1404 5.1404 5.1404 5.1404 5.4670 5.4670 5.4670 5.4670 7.4400 7.4400 7.4400 7.4400 7.8203 7.8203 7.8203 7.8203 8.6800 8.6800 8.6800 8.6800 8.7955 8.7955 8.7955 8.7955 9.5693 9.5693 9.5693 9.5693 9.9290 9.9290 9.9290 9.9290 12.0712 12.0712 12.0712 12.0712 12.9777 12.9777 k = 0.3333 0.3095 0.2662 ( 3300 PWs) bands (ev): -1.4656 -1.4656 -1.4656 -1.4656 0.1110 0.1110 0.1110 0.1110 5.2246 5.2246 5.2246 5.2246 5.5335 5.5335 5.5335 5.5335 7.4575 7.4575 7.4575 7.4575 7.8532 7.8532 7.8532 7.8532 8.6702 8.6702 8.6702 8.6702 8.7993 8.7993 8.7993 8.7993 9.5507 9.5507 9.5507 9.5507 9.9362 9.9362 9.9362 9.9362 12.0455 12.0455 12.0455 12.0455 12.9148 12.9148 k = 0.3235 0.3095 0.2662 ( 3300 PWs) bands (ev): -1.5121 -1.5121 -1.5121 -1.5121 0.0435 0.0435 0.0435 0.0435 5.3100 5.3100 5.3100 5.3100 5.5941 5.5941 5.5941 5.5941 7.4813 7.4813 7.4813 7.4813 7.8866 7.8866 7.8866 7.8866 8.6596 8.6596 8.6596 8.6596 8.8040 8.8040 8.8040 8.8040 9.5341 9.5341 9.5341 9.5341 9.9460 9.9460 9.9460 9.9460 12.0217 12.0217 12.0217 12.0217 12.8516 12.8516 k = 0.3137 0.3095 0.2662 ( 3300 PWs) bands (ev): -1.5590 -1.5590 -1.5590 -1.5590 -0.0237 -0.0237 -0.0237 -0.0237 5.3960 5.3960 5.3960 5.3960 5.6481 5.6481 5.6481 5.6481 7.5116 7.5116 7.5116 7.5116 7.9201 7.9201 7.9201 7.9201 8.6482 8.6482 8.6482 8.6482 8.8100 8.8100 8.8100 8.8100 9.5201 9.5201 9.5201 9.5201 9.9587 9.9587 9.9587 9.9587 11.9999 11.9999 11.9999 11.9999 12.7886 12.7886 k = 0.3039 0.3095 0.2662 ( 3300 PWs) bands (ev): -1.6059 -1.6059 -1.6059 -1.6059 -0.0903 -0.0903 -0.0903 -0.0903 5.4823 5.4823 5.4823 5.4823 5.6949 5.6949 5.6949 5.6949 7.5485 7.5485 7.5485 7.5485 7.9531 7.9531 7.9531 7.9531 8.6364 8.6364 8.6364 8.6364 8.8174 8.8174 8.8174 8.8174 9.5090 9.5090 9.5090 9.5090 9.9748 9.9748 9.9748 9.9748 11.9801 11.9801 11.9801 11.9801 12.7264 12.7264 k = 0.2941 0.3095 0.2662 ( 3296 PWs) bands (ev): -1.6527 -1.6527 -1.6527 -1.6527 -0.1561 -0.1561 -0.1561 -0.1561 5.5682 5.5682 5.5682 5.5682 5.7341 5.7341 5.7341 5.7341 7.5917 7.5917 7.5917 7.5917 7.9848 7.9848 7.9848 7.9848 8.6239 8.6239 8.6239 8.6239 8.8266 8.8266 8.8266 8.8266 9.5012 9.5012 9.5012 9.5012 9.9948 9.9948 9.9948 9.9948 11.9624 11.9624 11.9624 11.9624 12.6655 12.6655 k = 0.2843 0.3095 0.2662 ( 3296 PWs) bands (ev): -1.6993 -1.6993 -1.6993 -1.6993 -0.2209 -0.2209 -0.2209 -0.2209 5.6531 5.6531 5.6531 5.6531 5.7660 5.7660 5.7660 5.7660 7.6407 7.6407 7.6407 7.6407 8.0145 8.0145 8.0145 8.0145 8.6111 8.6111 8.6111 8.6111 8.8380 8.8380 8.8380 8.8380 9.4972 9.4972 9.4972 9.4972 10.0191 10.0191 10.0191 10.0191 11.9468 11.9468 11.9468 11.9468 12.6065 12.6065 k = 0.2745 0.3095 0.2662 ( 3300 PWs) bands (ev): -1.7455 -1.7455 -1.7455 -1.7455 -0.2845 -0.2845 -0.2845 -0.2845 5.7352 5.7352 5.7352 5.7352 5.7923 5.7923 5.7923 5.7923 7.6943 7.6943 7.6943 7.6943 8.0416 8.0416 8.0416 8.0416 8.5979 8.5979 8.5979 8.5979 8.8518 8.8518 8.8518 8.8518 9.4972 9.4972 9.4972 9.4972 10.0480 10.0480 10.0480 10.0480 11.9334 11.9334 11.9334 11.9334 12.5501 12.5501 k = 0.2647 0.3095 0.2662 ( 3292 PWs) bands (ev): -1.7911 -1.7911 -1.7911 -1.7911 -0.3468 -0.3468 -0.3468 -0.3468 5.7952 5.7952 5.7952 5.7952 5.8325 5.8325 5.8325 5.8325 7.7515 7.7515 7.7515 7.7515 8.0655 8.0655 8.0655 8.0655 8.5847 8.5847 8.5847 8.5847 8.8681 8.8681 8.8681 8.8681 9.5017 9.5017 9.5017 9.5017 10.0820 10.0820 10.0820 10.0820 11.9223 11.9223 11.9223 11.9223 12.4970 12.4970 k = 0.2549 0.3095 0.2662 ( 3296 PWs) bands (ev): -1.8359 -1.8359 -1.8359 -1.8359 -0.4076 -0.4076 -0.4076 -0.4076 5.8119 5.8119 5.8119 5.8119 5.9078 5.9078 5.9078 5.9078 7.8107 7.8107 7.8107 7.8107 8.0857 8.0857 8.0857 8.0857 8.5714 8.5714 8.5714 8.5714 8.8868 8.8868 8.8868 8.8868 9.5108 9.5108 9.5108 9.5108 10.1214 10.1214 10.1214 10.1214 11.9136 11.9136 11.9136 11.9136 12.4479 12.4479 k = 0.2451 0.3095 0.2662 ( 3300 PWs) bands (ev): -1.8799 -1.8799 -1.8799 -1.8799 -0.4669 -0.4669 -0.4669 -0.4669 5.8179 5.8179 5.8179 5.8179 5.9862 5.9862 5.9862 5.9862 7.8704 7.8704 7.8704 7.8704 8.1021 8.1021 8.1021 8.1021 8.5583 8.5583 8.5583 8.5583 8.9076 8.9076 8.9076 8.9076 9.5246 9.5246 9.5246 9.5246 10.1665 10.1665 10.1665 10.1665 11.9076 11.9076 11.9076 11.9076 12.4035 12.4035 k = 0.2353 0.3095 0.2662 ( 3300 PWs) bands (ev): -1.9229 -1.9229 -1.9229 -1.9229 -0.5244 -0.5244 -0.5244 -0.5244 5.8185 5.8185 5.8185 5.8185 6.0630 6.0630 6.0630 6.0630 7.9288 7.9288 7.9288 7.9288 8.1147 8.1147 8.1147 8.1147 8.5458 8.5458 8.5458 8.5458 8.9299 8.9299 8.9299 8.9299 9.5431 9.5431 9.5431 9.5431 10.2175 10.2175 10.2175 10.2175 11.9044 11.9044 11.9044 11.9044 12.3648 12.3648 k = 0.2255 0.3095 0.2662 ( 3304 PWs) bands (ev): -1.9649 -1.9649 -1.9649 -1.9649 -0.5802 -0.5802 -0.5802 -0.5802 5.8147 5.8147 5.8147 5.8147 6.1377 6.1377 6.1377 6.1377 7.9840 7.9840 7.9840 7.9840 8.1244 8.1244 8.1244 8.1244 8.5340 8.5340 8.5340 8.5340 8.9531 8.9531 8.9531 8.9531 9.5661 9.5661 9.5661 9.5661 10.2743 10.2743 10.2743 10.2743 11.9043 11.9043 11.9043 11.9043 12.3326 12.3326 k = 0.2157 0.3095 0.2662 ( 3304 PWs) bands (ev): -2.0056 -2.0056 -2.0056 -2.0056 -0.6340 -0.6340 -0.6340 -0.6340 5.8076 5.8076 5.8076 5.8076 6.2097 6.2097 6.2097 6.2097 8.0335 8.0335 8.0335 8.0335 8.1328 8.1328 8.1328 8.1328 8.5234 8.5234 8.5234 8.5234 8.9766 8.9766 8.9766 8.9766 9.5930 9.5930 9.5930 9.5930 10.3366 10.3366 10.3366 10.3366 11.9079 11.9079 11.9079 11.9079 12.3080 12.3080 k = 0.2059 0.3095 0.2662 ( 3308 PWs) bands (ev): -2.0451 -2.0451 -2.0451 -2.0451 -0.6859 -0.6859 -0.6859 -0.6859 5.7976 5.7976 5.7976 5.7976 6.2790 6.2790 6.2790 6.2790 8.0722 8.0722 8.0722 8.0722 8.1442 8.1442 8.1442 8.1442 8.5144 8.5144 8.5144 8.5144 8.9997 8.9997 8.9997 8.9997 9.6230 9.6230 9.6230 9.6230 10.4038 10.4038 10.4038 10.4038 11.9155 11.9155 11.9155 11.9155 12.2919 12.2919 k = 0.1961 0.3095 0.2662 ( 3308 PWs) bands (ev): -2.0831 -2.0831 -2.0831 -2.0831 -0.7358 -0.7358 -0.7358 -0.7358 5.7856 5.7856 5.7856 5.7856 6.3454 6.3454 6.3454 6.3454 8.0931 8.0931 8.0931 8.0931 8.1648 8.1648 8.1648 8.1648 8.5075 8.5075 8.5075 8.5075 9.0219 9.0219 9.0219 9.0219 9.6551 9.6551 9.6551 9.6551 10.4752 10.4752 10.4752 10.4752 11.9277 11.9277 11.9277 11.9277 12.2854 12.2854 k = 0.1863 0.3095 0.2662 ( 3308 PWs) bands (ev): -2.1198 -2.1198 -2.1198 -2.1198 -0.7836 -0.7836 -0.7836 -0.7836 5.7719 5.7719 5.7719 5.7719 6.4088 6.4088 6.4088 6.4088 8.0988 8.0988 8.0988 8.0988 8.1920 8.1920 8.1920 8.1920 8.5034 8.5034 8.5034 8.5034 9.0430 9.0430 9.0430 9.0430 9.6878 9.6878 9.6878 9.6878 10.5495 10.5495 10.5495 10.5495 11.9454 11.9454 11.9454 11.9454 12.2894 12.2894 k = 0.1765 0.3095 0.2662 ( 3312 PWs) bands (ev): -2.1549 -2.1549 -2.1549 -2.1549 -0.8292 -0.8292 -0.8292 -0.8292 5.7570 5.7570 5.7570 5.7570 6.4692 6.4692 6.4692 6.4692 8.0972 8.0972 8.0972 8.0972 8.2174 8.2174 8.2174 8.2174 8.5027 8.5027 8.5027 8.5027 9.0628 9.0628 9.0628 9.0628 9.7198 9.7198 9.7198 9.7198 10.6253 10.6253 10.6253 10.6253 11.9693 11.9693 11.9693 11.9693 12.3048 12.3048 k = 0.1667 0.3095 0.2662 ( 3316 PWs) bands (ev): -2.1885 -2.1885 -2.1885 -2.1885 -0.8725 -0.8725 -0.8725 -0.8725 5.7413 5.7413 5.7413 5.7413 6.5263 6.5263 6.5263 6.5263 8.0924 8.0924 8.0924 8.0924 8.2373 8.2373 8.2373 8.2373 8.5056 8.5056 8.5056 8.5056 9.0814 9.0814 9.0814 9.0814 9.7497 9.7497 9.7497 9.7497 10.7009 10.7009 10.7009 10.7009 12.0004 12.0004 12.0004 12.0004 12.3322 12.3322 k = 0.1569 0.3095 0.2662 ( 3316 PWs) bands (ev): -2.2204 -2.2204 -2.2204 -2.2204 -0.9137 -0.9137 -0.9137 -0.9137 5.7253 5.7253 5.7253 5.7253 6.5803 6.5803 6.5803 6.5803 8.0860 8.0860 8.0860 8.0860 8.2510 8.2510 8.2510 8.2510 8.5119 8.5119 8.5119 8.5119 9.0987 9.0987 9.0987 9.0987 9.7763 9.7763 9.7763 9.7763 10.7746 10.7746 10.7746 10.7746 12.0396 12.0396 12.0396 12.0396 12.3722 12.3722 k = 0.1471 0.3095 0.2662 ( 3312 PWs) bands (ev): -2.2506 -2.2506 -2.2506 -2.2506 -0.9525 -0.9525 -0.9525 -0.9525 5.7091 5.7091 5.7091 5.7091 6.6310 6.6310 6.6310 6.6310 8.0788 8.0788 8.0788 8.0788 8.2589 8.2589 8.2589 8.2589 8.5210 8.5210 8.5210 8.5210 9.1149 9.1149 9.1149 9.1149 9.7988 9.7988 9.7988 9.7988 10.8447 10.8447 10.8447 10.8447 12.0876 12.0876 12.0876 12.0876 12.4246 12.4246 k = 0.1373 0.3095 0.2662 ( 3312 PWs) bands (ev): -2.2791 -2.2791 -2.2791 -2.2791 -0.9890 -0.9890 -0.9890 -0.9890 5.6930 5.6930 5.6930 5.6930 6.6784 6.6784 6.6784 6.6784 8.0714 8.0714 8.0714 8.0714 8.2620 8.2620 8.2620 8.2620 8.5320 8.5320 8.5320 8.5320 9.1301 9.1301 9.1301 9.1301 9.8164 9.8164 9.8164 9.8164 10.9094 10.9094 10.9094 10.9094 12.1447 12.1447 12.1447 12.1447 12.4893 12.4893 k = 0.1275 0.3095 0.2662 ( 3324 PWs) bands (ev): -2.3058 -2.3058 -2.3058 -2.3058 -1.0231 -1.0231 -1.0231 -1.0231 5.6773 5.6773 5.6773 5.6773 6.7225 6.7225 6.7225 6.7225 8.0639 8.0639 8.0639 8.0639 8.2617 8.2617 8.2617 8.2617 8.5437 8.5437 8.5437 8.5437 9.1444 9.1444 9.1444 9.1444 9.8291 9.8291 9.8291 9.8291 10.9677 10.9677 10.9677 10.9677 12.2109 12.2109 12.2109 12.2109 12.5656 12.5656 k = 0.1176 0.3095 0.2662 ( 3320 PWs) bands (ev): -2.3307 -2.3307 -2.3307 -2.3307 -1.0547 -1.0547 -1.0547 -1.0547 5.6621 5.6621 5.6621 5.6621 6.7633 6.7633 6.7633 6.7633 8.0567 8.0567 8.0567 8.0567 8.2591 8.2591 8.2591 8.2591 8.5555 8.5555 8.5555 8.5555 9.1580 9.1580 9.1580 9.1580 9.8369 9.8369 9.8369 9.8369 11.0190 11.0190 11.0190 11.0190 12.2856 12.2856 12.2856 12.2856 12.6522 12.6522 k = 0.1078 0.3095 0.2662 ( 3312 PWs) bands (ev): -2.3537 -2.3537 -2.3537 -2.3537 -1.0840 -1.0840 -1.0840 -1.0840 5.6476 5.6476 5.6476 5.6476 6.8008 6.8008 6.8008 6.8008 8.0502 8.0502 8.0502 8.0502 8.2551 8.2551 8.2551 8.2551 8.5668 8.5668 8.5668 8.5668 9.1708 9.1708 9.1708 9.1708 9.8401 9.8401 9.8401 9.8401 11.0631 11.0631 11.0631 11.0631 12.3675 12.3675 12.3675 12.3675 12.7479 12.7479 k = 0.0980 0.3095 0.2662 ( 3304 PWs) bands (ev): -2.3747 -2.3747 -2.3747 -2.3747 -1.1108 -1.1108 -1.1108 -1.1108 5.6340 5.6340 5.6340 5.6340 6.8348 6.8348 6.8348 6.8348 8.0442 8.0442 8.0442 8.0442 8.2502 8.2502 8.2502 8.2502 8.5772 8.5772 8.5772 8.5772 9.1829 9.1829 9.1829 9.1829 9.8394 9.8394 9.8394 9.8394 11.1004 11.1004 11.1004 11.1004 12.4547 12.4547 12.4547 12.4547 12.8508 12.8508 k = 0.0882 0.3095 0.2662 ( 3304 PWs) bands (ev): -2.3939 -2.3939 -2.3939 -2.3939 -1.1351 -1.1351 -1.1351 -1.1351 5.6213 5.6213 5.6213 5.6213 6.8656 6.8656 6.8656 6.8656 8.0389 8.0389 8.0389 8.0389 8.2450 8.2450 8.2450 8.2450 8.5867 8.5867 8.5867 8.5867 9.1943 9.1943 9.1943 9.1943 9.8354 9.8354 9.8354 9.8354 11.1314 11.1314 11.1314 11.1314 12.5452 12.5452 12.5452 12.5452 12.9588 12.9588 k = 0.0784 0.3095 0.2662 ( 3312 PWs) bands (ev): -2.4111 -2.4111 -2.4111 -2.4111 -1.1568 -1.1568 -1.1568 -1.1568 5.6097 5.6097 5.6097 5.6097 6.8929 6.8929 6.8929 6.8929 8.0343 8.0343 8.0343 8.0343 8.2397 8.2397 8.2397 8.2397 8.5950 8.5950 8.5950 8.5950 9.2048 9.2048 9.2048 9.2048 9.8290 9.8290 9.8290 9.8290 11.1568 11.1568 11.1568 11.1568 12.6364 12.6364 12.6364 12.6364 13.0693 13.0693 k = 0.0686 0.3095 0.2662 ( 3304 PWs) bands (ev): -2.4264 -2.4264 -2.4264 -2.4264 -1.1761 -1.1761 -1.1761 -1.1761 5.5993 5.5993 5.5993 5.5993 6.9170 6.9170 6.9170 6.9170 8.0305 8.0305 8.0305 8.0305 8.2348 8.2348 8.2348 8.2348 8.6022 8.6022 8.6022 8.6022 9.2147 9.2147 9.2147 9.2147 9.8209 9.8209 9.8209 9.8209 11.1775 11.1775 11.1775 11.1775 12.7259 12.7259 12.7259 12.7259 13.1798 13.1798 k = 0.0588 0.3095 0.2662 ( 3296 PWs) bands (ev): -2.4396 -2.4396 -2.4396 -2.4396 -1.1928 -1.1928 -1.1928 -1.1928 5.5901 5.5901 5.5901 5.5901 6.9377 6.9377 6.9377 6.9377 8.0274 8.0274 8.0274 8.0274 8.2302 8.2302 8.2302 8.2302 8.6084 8.6084 8.6084 8.6084 9.2238 9.2238 9.2238 9.2238 9.8120 9.8120 9.8120 9.8120 11.1940 11.1940 11.1940 11.1940 12.8110 12.8110 12.8110 12.8110 13.2870 13.2870 k = 0.0490 0.3095 0.2662 ( 3292 PWs) bands (ev): -2.4509 -2.4509 -2.4509 -2.4509 -1.2070 -1.2070 -1.2070 -1.2070 5.5822 5.5822 5.5822 5.5822 6.9552 6.9552 6.9552 6.9552 8.0249 8.0249 8.0249 8.0249 8.2262 8.2262 8.2262 8.2262 8.6136 8.6136 8.6136 8.6136 9.2317 9.2317 9.2317 9.2317 9.8029 9.8029 9.8029 9.8029 11.2070 11.2070 11.2070 11.2070 12.8891 12.8891 12.8891 12.8891 13.3875 13.3875 k = 0.0392 0.3095 0.2662 ( 3292 PWs) bands (ev): -2.4601 -2.4601 -2.4601 -2.4601 -1.2186 -1.2186 -1.2186 -1.2186 5.5757 5.5757 5.5757 5.5757 6.9694 6.9694 6.9694 6.9694 8.0231 8.0231 8.0231 8.0231 8.2227 8.2227 8.2227 8.2227 8.6177 8.6177 8.6177 8.6177 9.2386 9.2386 9.2386 9.2386 9.7944 9.7944 9.7944 9.7944 11.2171 11.2171 11.2171 11.2171 12.9576 12.9576 12.9576 12.9576 13.4775 13.4775 k = 0.0294 0.3095 0.2662 ( 3288 PWs) bands (ev): -2.4673 -2.4673 -2.4673 -2.4673 -1.2276 -1.2276 -1.2276 -1.2276 5.5706 5.5706 5.5706 5.5706 6.9804 6.9804 6.9804 6.9804 8.0217 8.0217 8.0217 8.0217 8.2201 8.2201 8.2201 8.2201 8.6208 8.6208 8.6208 8.6208 9.2441 9.2441 9.2441 9.2441 9.7871 9.7871 9.7871 9.7871 11.2245 11.2245 11.2245 11.2245 13.0140 13.0140 13.0140 13.0140 13.5531 13.5531 k = 0.0196 0.3095 0.2662 ( 3292 PWs) bands (ev): -2.4724 -2.4724 -2.4724 -2.4724 -1.2341 -1.2341 -1.2341 -1.2341 5.5669 5.5669 5.5669 5.5669 6.9883 6.9883 6.9883 6.9883 8.0207 8.0207 8.0207 8.0207 8.2181 8.2181 8.2181 8.2181 8.6230 8.6230 8.6230 8.6230 9.2482 9.2482 9.2482 9.2482 9.7814 9.7814 9.7814 9.7814 11.2296 11.2296 11.2296 11.2296 13.0561 13.0561 13.0561 13.0561 13.6105 13.6105 k = 0.0098 0.3095 0.2662 ( 3288 PWs) bands (ev): -2.4755 -2.4755 -2.4755 -2.4755 -1.2380 -1.2380 -1.2380 -1.2380 5.5647 5.5647 5.5647 5.5647 6.9929 6.9929 6.9929 6.9929 8.0202 8.0202 8.0202 8.0202 8.2169 8.2169 8.2169 8.2169 8.6244 8.6244 8.6244 8.6244 9.2507 9.2507 9.2507 9.2507 9.7779 9.7779 9.7779 9.7779 11.2326 11.2326 11.2326 11.2326 13.0822 13.0822 13.0822 13.0822 13.6464 13.6464 k = 0.0000 0.3095 0.2662 ( 3292 PWs) bands (ev): -2.4765 -2.4765 -2.4765 -2.4765 -1.2393 -1.2393 -1.2393 -1.2393 5.5640 5.5640 5.5640 5.5640 6.9945 6.9945 6.9945 6.9945 8.0201 8.0201 8.0201 8.0201 8.2165 8.2165 8.2165 8.2165 8.6247 8.6247 8.6247 8.6247 9.2515 9.2515 9.2515 9.2515 9.7767 9.7767 9.7767 9.7767 11.2336 11.2336 11.2336 11.2336 13.0911 13.0911 13.0911 13.0911 13.6586 13.6586 k = 0.0000 0.3095 0.2662 ( 3292 PWs) bands (ev): -2.4765 -2.4765 -2.4765 -2.4765 -1.2393 -1.2393 -1.2393 -1.2393 5.5640 5.5640 5.5640 5.5640 6.9945 6.9945 6.9945 6.9945 8.0201 8.0201 8.0201 8.0201 8.2165 8.2165 8.2165 8.2165 8.6247 8.6247 8.6247 8.6247 9.2515 9.2515 9.2515 9.2515 9.7767 9.7767 9.7767 9.7767 11.2336 11.2336 11.2336 11.2336 13.0911 13.0911 13.0911 13.0911 13.6586 13.6586 k = 0.0000 0.2999 0.2662 ( 3284 PWs) bands (ev): -2.4802 -2.4802 -2.4802 -2.4802 -1.2338 -1.2338 -1.2338 -1.2338 5.5612 5.5612 5.5612 5.5612 6.9961 6.9961 6.9961 6.9961 8.0205 8.0205 8.0205 8.0205 8.2149 8.2149 8.2149 8.2149 8.6251 8.6251 8.6251 8.6251 9.2512 9.2512 9.2512 9.2512 9.7707 9.7707 9.7707 9.7707 11.2380 11.2380 11.2380 11.2380 13.0799 13.0799 13.0799 13.0799 13.6710 13.6710 k = 0.0000 0.2902 0.2662 ( 3292 PWs) bands (ev): -2.4910 -2.4910 -2.4910 -2.4910 -1.2178 -1.2178 -1.2178 -1.2178 5.5528 5.5528 5.5528 5.5528 7.0007 7.0007 7.0007 7.0007 8.0215 8.0215 8.0215 8.0215 8.2100 8.2100 8.2100 8.2100 8.6260 8.6260 8.6260 8.6260 9.2503 9.2503 9.2503 9.2503 9.7531 9.7531 9.7531 9.7531 11.2508 11.2508 11.2508 11.2508 13.0488 13.0488 13.0488 13.0488 13.7053 13.7053 k = 0.0000 0.2805 0.2662 ( 3288 PWs) bands (ev): -2.5084 -2.5084 -2.5084 -2.5084 -1.1916 -1.1916 -1.1916 -1.1916 5.5390 5.5390 5.5390 5.5390 7.0081 7.0081 7.0081 7.0081 8.0232 8.0232 8.0232 8.0232 8.2018 8.2018 8.2018 8.2018 8.6278 8.6278 8.6278 8.6278 9.2488 9.2488 9.2488 9.2488 9.7254 9.7254 9.7254 9.7254 11.2712 11.2712 11.2712 11.2712 13.0035 13.0035 13.0035 13.0035 13.7561 13.7561 k = 0.0000 0.2708 0.2662 ( 3290 PWs) bands (ev): -2.5314 -2.5314 -2.5314 -2.5314 -1.1564 -1.1564 -1.1564 -1.1564 5.5201 5.5201 5.5201 5.5201 7.0178 7.0178 7.0178 7.0178 8.0256 8.0256 8.0256 8.0256 8.1900 8.1900 8.1900 8.1900 8.6306 8.6306 8.6306 8.6306 9.2467 9.2467 9.2467 9.2467 9.6896 9.6896 9.6896 9.6896 11.2977 11.2977 11.2977 11.2977 12.9493 12.9493 12.9493 12.9493 13.8180 13.8180 k = 0.0000 0.2612 0.2662 ( 3286 PWs) bands (ev): -2.5592 -2.5592 -2.5592 -2.5592 -1.1130 -1.1130 -1.1130 -1.1130 5.4965 5.4965 5.4965 5.4965 7.0290 7.0290 7.0290 7.0290 8.0284 8.0284 8.0284 8.0284 8.1746 8.1746 8.1746 8.1746 8.6346 8.6346 8.6346 8.6346 9.2441 9.2441 9.2441 9.2441 9.6479 9.6479 9.6479 9.6479 11.3288 11.3288 11.3288 11.3288 12.8900 12.8900 12.8900 12.8900 13.8871 13.8871 k = 0.0000 0.2515 0.2662 ( 3294 PWs) bands (ev): -2.5907 -2.5907 -2.5907 -2.5907 -1.0625 -1.0625 -1.0625 -1.0625 5.4686 5.4686 5.4686 5.4686 7.0411 7.0411 7.0411 7.0411 8.0314 8.0314 8.0314 8.0314 8.1556 8.1556 8.1556 8.1556 8.6400 8.6400 8.6400 8.6400 9.2407 9.2407 9.2407 9.2407 9.6028 9.6028 9.6028 9.6028 11.3633 11.3633 11.3633 11.3633 12.8280 12.8280 12.8280 12.8280 13.9610 13.9610 k = 0.0000 0.2418 0.2662 ( 3298 PWs) bands (ev): -2.6250 -2.6250 -2.6250 -2.6250 -1.0060 -1.0060 -1.0060 -1.0060 5.4367 5.4367 5.4367 5.4367 7.0531 7.0531 7.0531 7.0531 8.0337 8.0337 8.0337 8.0337 8.1337 8.1337 8.1337 8.1337 8.6471 8.6471 8.6471 8.6471 9.2369 9.2369 9.2369 9.2369 9.5565 9.5565 9.5565 9.5565 11.3998 11.3998 11.3998 11.3998 12.7648 12.7648 12.7648 12.7648 14.0380 14.0380 k = 0.0000 0.2322 0.2662 ( 3306 PWs) bands (ev): -2.6611 -2.6611 -2.6611 -2.6611 -0.9444 -0.9444 -0.9444 -0.9444 5.4013 5.4013 5.4013 5.4013 7.0640 7.0640 7.0640 7.0640 8.0335 8.0335 8.0335 8.0335 8.1112 8.1112 8.1112 8.1112 8.6560 8.6560 8.6560 8.6560 9.2324 9.2324 9.2324 9.2324 9.5111 9.5111 9.5111 9.5111 11.4376 11.4376 11.4376 11.4376 12.7015 12.7015 12.7015 12.7015 14.1169 14.1169 k = 0.0000 0.2225 0.2662 ( 3306 PWs) bands (ev): -2.6986 -2.6986 -2.6986 -2.6986 -0.8786 -0.8786 -0.8786 -0.8786 5.3627 5.3627 5.3627 5.3627 7.0727 7.0727 7.0727 7.0727 8.0263 8.0263 8.0263 8.0263 8.0932 8.0932 8.0932 8.0932 8.6669 8.6669 8.6669 8.6669 9.2274 9.2274 9.2274 9.2274 9.4681 9.4681 9.4681 9.4681 11.4760 11.4760 11.4760 11.4760 12.6388 12.6388 12.6388 12.6388 14.1969 14.1969 k = 0.0000 0.2128 0.2662 ( 3304 PWs) bands (ev): -2.7366 -2.7366 -2.7366 -2.7366 -0.8092 -0.8092 -0.8092 -0.8092 5.3214 5.3214 5.3214 5.3214 7.0781 7.0781 7.0781 7.0781 8.0068 8.0068 8.0068 8.0068 8.0856 8.0856 8.0856 8.0856 8.6794 8.6794 8.6794 8.6794 9.2218 9.2218 9.2218 9.2218 9.4289 9.4289 9.4289 9.4289 11.5145 11.5145 11.5145 11.5145 12.5772 12.5772 12.5772 12.5772 14.2773 14.2773 k = 0.0000 0.2031 0.2662 ( 3304 PWs) bands (ev): -2.7747 -2.7747 -2.7747 -2.7747 -0.7369 -0.7369 -0.7369 -0.7369 5.2777 5.2777 5.2777 5.2777 7.0790 7.0790 7.0790 7.0790 7.9782 7.9782 7.9782 7.9782 8.0867 8.0867 8.0867 8.0867 8.6935 8.6935 8.6935 8.6935 9.2155 9.2155 9.2155 9.2155 9.3945 9.3945 9.3945 9.3945 11.5530 11.5530 11.5530 11.5530 12.5171 12.5171 12.5171 12.5171 14.3572 14.3572 k = 0.0000 0.1935 0.2662 ( 3304 PWs) bands (ev): -2.8126 -2.8126 -2.8126 -2.8126 -0.6623 -0.6623 -0.6623 -0.6623 5.2317 5.2317 5.2317 5.2317 7.0744 7.0744 7.0744 7.0744 7.9462 7.9462 7.9462 7.9462 8.0920 8.0920 8.0920 8.0920 8.7088 8.7088 8.7088 8.7088 9.2087 9.2087 9.2087 9.2087 9.3654 9.3654 9.3654 9.3654 11.5913 11.5913 11.5913 11.5913 12.4587 12.4587 12.4587 12.4587 14.4357 14.4357 k = 0.0000 0.1838 0.2662 ( 3308 PWs) bands (ev): -2.8498 -2.8498 -2.8498 -2.8498 -0.5860 -0.5860 -0.5860 -0.5860 5.1840 5.1840 5.1840 5.1840 7.0634 7.0634 7.0634 7.0634 7.9145 7.9145 7.9145 7.9145 8.0994 8.0994 8.0994 8.0994 8.7249 8.7249 8.7249 8.7249 9.2012 9.2012 9.2012 9.2012 9.3422 9.3422 9.3422 9.3422 11.6296 11.6296 11.6296 11.6296 12.4023 12.4023 12.4023 12.4023 14.5108 14.5108 k = 0.0000 0.1741 0.2662 ( 3310 PWs) bands (ev): -2.8860 -2.8860 -2.8860 -2.8860 -0.5085 -0.5085 -0.5085 -0.5085 5.1345 5.1345 5.1345 5.1345 7.0453 7.0453 7.0453 7.0453 7.8853 7.8853 7.8853 7.8853 8.1080 8.1080 8.1080 8.1080 8.7412 8.7412 8.7412 8.7412 9.1933 9.1933 9.1933 9.1933 9.3250 9.3250 9.3250 9.3250 11.6678 11.6678 11.6678 11.6678 12.3481 12.3481 12.3481 12.3481 14.5777 14.5777 k = 0.0000 0.1644 0.2662 ( 3308 PWs) bands (ev): -2.9212 -2.9212 -2.9212 -2.9212 -0.4302 -0.4302 -0.4302 -0.4302 5.0837 5.0837 5.0837 5.0837 7.0201 7.0201 7.0201 7.0201 7.8599 7.8599 7.8599 7.8599 8.1173 8.1173 8.1173 8.1173 8.7573 8.7573 8.7573 8.7573 9.1850 9.1850 9.1850 9.1850 9.3137 9.3137 9.3137 9.3137 11.7061 11.7061 11.7061 11.7061 12.2963 12.2963 12.2963 12.2963 14.6208 14.6208 k = 0.0000 0.1548 0.2662 ( 3314 PWs) bands (ev): -2.9550 -2.9550 -2.9550 -2.9550 -0.3517 -0.3517 -0.3517 -0.3517 5.0318 5.0318 5.0318 5.0318 6.9881 6.9881 6.9881 6.9881 7.8391 7.8391 7.8391 7.8391 8.1272 8.1272 8.1272 8.1272 8.7727 8.7727 8.7727 8.7727 9.1765 9.1765 9.1765 9.1765 9.3081 9.3081 9.3081 9.3081 11.7446 11.7446 11.7446 11.7446 12.2472 12.2472 12.2472 12.2472 14.6143 14.6143 k = 0.0000 0.1451 0.2662 ( 3298 PWs) bands (ev): -2.9872 -2.9872 -2.9872 -2.9872 -0.2734 -0.2734 -0.2734 -0.2734 4.9790 4.9790 4.9790 4.9790 6.9505 6.9505 6.9505 6.9505 7.8229 7.8229 7.8229 7.8229 8.1376 8.1376 8.1376 8.1376 8.7868 8.7868 8.7868 8.7868 9.1680 9.1680 9.1680 9.1680 9.3080 9.3080 9.3080 9.3080 11.7836 11.7836 11.7836 11.7836 12.2008 12.2008 12.2008 12.2008 14.5672 14.5672 k = 0.0000 0.1354 0.2662 ( 3292 PWs) bands (ev): -3.0179 -3.0179 -3.0179 -3.0179 -0.1958 -0.1958 -0.1958 -0.1958 4.9257 4.9257 4.9257 4.9257 6.9083 6.9083 6.9083 6.9083 7.8109 7.8109 7.8109 7.8109 8.1481 8.1481 8.1481 8.1481 8.7993 8.7993 8.7993 8.7993 9.1594 9.1594 9.1594 9.1594 9.3128 9.3128 9.3128 9.3128 11.8229 11.8229 11.8229 11.8229 12.1577 12.1577 12.1577 12.1577 14.5005 14.5005 k = 0.0000 0.1258 0.2662 ( 3292 PWs) bands (ev): -3.0468 -3.0468 -3.0468 -3.0468 -0.1195 -0.1195 -0.1195 -0.1195 4.8722 4.8722 4.8722 4.8722 6.8632 6.8632 6.8632 6.8632 7.8027 7.8027 7.8027 7.8027 8.1586 8.1586 8.1586 8.1586 8.8100 8.8100 8.8100 8.8100 9.1509 9.1509 9.1509 9.1509 9.3221 9.3221 9.3221 9.3221 11.8621 11.8621 11.8621 11.8621 12.1183 12.1183 12.1183 12.1183 14.4227 14.4227 k = 0.0000 0.1161 0.2662 ( 3292 PWs) bands (ev): -3.0738 -3.0738 -3.0738 -3.0738 -0.0451 -0.0451 -0.0451 -0.0451 4.8188 4.8188 4.8188 4.8188 6.8165 6.8165 6.8165 6.8165 7.7974 7.7974 7.7974 7.7974 8.1691 8.1691 8.1691 8.1691 8.8189 8.8189 8.8189 8.8189 9.1425 9.1425 9.1425 9.1425 9.3351 9.3351 9.3351 9.3351 11.9001 11.9001 11.9001 11.9001 12.0841 12.0841 12.0841 12.0841 14.3378 14.3378 k = 0.0000 0.1064 0.2662 ( 3292 PWs) bands (ev): -3.0989 -3.0989 -3.0989 -3.0989 0.0270 0.0270 0.0270 0.0270 4.7662 4.7662 4.7662 4.7662 6.7698 6.7698 6.7698 6.7698 7.7943 7.7943 7.7943 7.7943 8.1795 8.1795 8.1795 8.1795 8.8260 8.8260 8.8260 8.8260 9.1342 9.1342 9.1342 9.1342 9.3512 9.3512 9.3512 9.3512 11.9331 11.9331 11.9331 11.9331 12.0591 12.0591 12.0591 12.0591 14.2482 14.2482 k = 0.0000 0.0967 0.2662 ( 3296 PWs) bands (ev): -3.1220 -3.1220 -3.1220 -3.1220 0.0960 0.0960 0.0960 0.0960 4.7148 4.7148 4.7148 4.7148 6.7242 6.7242 6.7242 6.7242 7.7930 7.7930 7.7930 7.7930 8.1895 8.1895 8.1895 8.1895 8.8315 8.8315 8.8315 8.8315 9.1261 9.1261 9.1261 9.1261 9.3693 9.3693 9.3693 9.3693 11.9498 11.9498 11.9498 11.9498 12.0546 12.0546 12.0546 12.0546 14.1560 14.1560 k = 0.0000 0.0871 0.2662 ( 3296 PWs) bands (ev): -3.1431 -3.1431 -3.1431 -3.1431 0.1614 0.1614 0.1614 0.1614 4.6651 4.6651 4.6651 4.6651 6.6807 6.6807 6.6807 6.6807 7.7929 7.7929 7.7929 7.7929 8.1992 8.1992 8.1992 8.1992 8.8357 8.8357 8.8357 8.8357 9.1183 9.1183 9.1183 9.1183 9.3888 9.3888 9.3888 9.3888 11.9427 11.9427 11.9427 11.9427 12.0780 12.0780 12.0780 12.0780 14.0630 14.0630 k = 0.0000 0.0774 0.2662 ( 3292 PWs) bands (ev): -3.1621 -3.1621 -3.1621 -3.1621 0.2225 0.2225 0.2225 0.2225 4.6180 4.6180 4.6180 4.6180 6.6402 6.6402 6.6402 6.6402 7.7935 7.7935 7.7935 7.7935 8.2083 8.2083 8.2083 8.2083 8.8389 8.8389 8.8389 8.8389 9.1110 9.1110 9.1110 9.1110 9.4086 9.4086 9.4086 9.4086 11.9244 11.9244 11.9244 11.9244 12.1163 12.1163 12.1163 12.1163 13.9707 13.9707 k = 0.0000 0.0677 0.2662 ( 3294 PWs) bands (ev): -3.1789 -3.1789 -3.1789 -3.1789 0.2786 0.2786 0.2786 0.2786 4.5739 4.5739 4.5739 4.5739 6.6033 6.6033 6.6033 6.6033 7.7946 7.7946 7.7946 7.7946 8.2166 8.2166 8.2166 8.2166 8.8412 8.8412 8.8412 8.8412 9.1040 9.1040 9.1040 9.1040 9.4280 9.4280 9.4280 9.4280 11.9044 11.9044 11.9044 11.9044 12.1598 12.1598 12.1598 12.1598 13.8808 13.8808 k = 0.0000 0.0580 0.2662 ( 3302 PWs) bands (ev): -3.1935 -3.1935 -3.1935 -3.1935 0.3291 0.3291 0.3291 0.3291 4.5338 4.5338 4.5338 4.5338 6.5705 6.5705 6.5705 6.5705 7.7959 7.7959 7.7959 7.7959 8.2242 8.2242 8.2242 8.2242 8.8429 8.8429 8.8429 8.8429 9.0977 9.0977 9.0977 9.0977 9.4463 9.4463 9.4463 9.4463 11.8856 11.8856 11.8856 11.8856 12.2046 12.2046 12.2046 12.2046 13.7953 13.7953 k = 0.0000 0.0484 0.2662 ( 3306 PWs) bands (ev): -3.2059 -3.2059 -3.2059 -3.2059 0.3731 0.3731 0.3731 0.3731 4.4983 4.4983 4.4983 4.4983 6.5422 6.5422 6.5422 6.5422 7.7973 7.7973 7.7973 7.7973 8.2308 8.2308 8.2308 8.2308 8.8440 8.8440 8.8440 8.8440 9.0922 9.0922 9.0922 9.0922 9.4627 9.4627 9.4627 9.4627 11.8690 11.8690 11.8690 11.8690 12.2485 12.2485 12.2485 12.2485 13.7160 13.7160 k = 0.0000 0.0387 0.2662 ( 3312 PWs) bands (ev): -3.2161 -3.2161 -3.2161 -3.2161 0.4102 0.4102 0.4102 0.4102 4.4681 4.4681 4.4681 4.4681 6.5188 6.5188 6.5188 6.5188 7.7985 7.7985 7.7985 7.7985 8.2364 8.2364 8.2364 8.2364 8.8448 8.8448 8.8448 8.8448 9.0874 9.0874 9.0874 9.0874 9.4769 9.4769 9.4769 9.4769 11.8552 11.8552 11.8552 11.8552 12.2897 12.2897 12.2897 12.2897 13.6453 13.6453 k = 0.0000 0.0290 0.2662 ( 3312 PWs) bands (ev): -3.2241 -3.2241 -3.2241 -3.2241 0.4397 0.4397 0.4397 0.4397 4.4438 4.4438 4.4438 4.4438 6.5004 6.5004 6.5004 6.5004 7.7996 7.7996 7.7996 7.7996 8.2409 8.2409 8.2409 8.2409 8.8454 8.8454 8.8454 8.8454 9.0836 9.0836 9.0836 9.0836 9.4884 9.4884 9.4884 9.4884 11.8443 11.8443 11.8443 11.8443 12.3257 12.3257 12.3257 12.3257 13.5859 13.5859 k = 0.0000 0.0193 0.2662 ( 3312 PWs) bands (ev): -3.2298 -3.2298 -3.2298 -3.2298 0.4612 0.4612 0.4612 0.4612 4.4261 4.4261 4.4261 4.4261 6.4871 6.4871 6.4871 6.4871 7.8004 7.8004 7.8004 7.8004 8.2442 8.2442 8.2442 8.2442 8.8458 8.8458 8.8458 8.8458 9.0808 9.0808 9.0808 9.0808 9.4969 9.4969 9.4969 9.4969 11.8365 11.8365 11.8365 11.8365 12.3542 12.3542 12.3542 12.3542 13.5404 13.5404 k = 0.0000 0.0097 0.2662 ( 3324 PWs) bands (ev): -3.2332 -3.2332 -3.2332 -3.2332 0.4742 0.4742 0.4742 0.4742 4.4153 4.4153 4.4153 4.4153 6.4791 6.4791 6.4791 6.4791 7.8008 7.8008 7.8008 7.8008 8.2460 8.2460 8.2460 8.2460 8.8459 8.8459 8.8459 8.8459 9.0791 9.0791 9.0791 9.0791 9.5020 9.5020 9.5020 9.5020 11.8318 11.8318 11.8318 11.8318 12.3725 12.3725 12.3725 12.3725 13.5118 13.5118 k = 0.0000 0.0000 0.2662 ( 3328 PWs) bands (ev): -3.2343 -3.2343 -3.2343 -3.2343 0.4786 0.4786 0.4786 0.4786 4.4116 4.4116 4.4116 4.4116 6.4765 6.4765 6.4765 6.4765 7.8010 7.8010 7.8010 7.8010 8.2466 8.2466 8.2466 8.2466 8.8460 8.8460 8.8460 8.8460 9.0785 9.0785 9.0785 9.0785 9.5037 9.5037 9.5037 9.5037 11.8302 11.8302 11.8302 11.8302 12.3789 12.3789 12.3789 12.3789 13.5019 13.5019 k = 0.0000 0.3095-0.0000 ( 3296 PWs) bands (ev): -2.9085 -2.9085 -2.9085 -2.9085 -0.2410 -0.2410 -0.2410 -0.2410 3.8495 3.8495 3.8495 3.8495 7.7050 7.7050 7.7050 7.7050 7.8610 7.8610 7.8610 7.8610 8.0940 8.0940 8.0940 8.0940 8.9172 8.9172 8.9172 8.9172 9.1524 9.1524 9.1524 9.1524 9.6170 9.6170 9.6170 9.6170 12.6464 12.6464 12.6464 12.6464 13.7621 13.7621 13.7621 13.7621 13.8454 13.8454 k = 0.0000 0.3095 0.0099 ( 3304 PWs) bands (ev): -2.9075 -2.9075 -2.9075 -2.9075 -0.2444 -0.2444 -0.2444 -0.2444 3.8546 3.8546 3.8546 3.8546 7.6984 7.6984 7.6984 7.6984 7.8676 7.8676 7.8676 7.8676 8.0939 8.0939 8.0939 8.0939 8.9174 8.9174 8.9174 8.9174 9.1527 9.1527 9.1527 9.1527 9.6151 9.6151 9.6151 9.6151 12.6472 12.6472 12.6472 12.6472 13.6949 13.6949 13.6949 13.6949 13.9084 13.9084 k = 0.0000 0.3095 0.0197 ( 3306 PWs) bands (ev): -2.9044 -2.9044 -2.9044 -2.9044 -0.2548 -0.2548 -0.2548 -0.2548 3.8697 3.8697 3.8697 3.8697 7.6815 7.6815 7.6815 7.6815 7.8850 7.8850 7.8850 7.8850 8.0934 8.0934 8.0934 8.0934 8.9179 8.9179 8.9179 8.9179 9.1538 9.1538 9.1538 9.1538 9.6094 9.6094 9.6094 9.6094 12.6497 12.6497 12.6497 12.6497 13.5951 13.5951 13.5951 13.5951 13.9953 13.9953 k = 0.0000 0.3095 0.0296 ( 3310 PWs) bands (ev): -2.8993 -2.8993 -2.8993 -2.8993 -0.2718 -0.2718 -0.2718 -0.2718 3.8946 3.8946 3.8946 3.8946 7.6585 7.6585 7.6585 7.6585 7.9086 7.9086 7.9086 7.9086 8.0928 8.0928 8.0928 8.0928 8.9188 8.9188 8.9188 8.9188 9.1555 9.1555 9.1555 9.1555 9.6000 9.6000 9.6000 9.6000 12.6539 12.6539 12.6539 12.6539 13.4897 13.4897 13.4897 13.4897 14.0784 14.0784 k = 0.0000 0.3095 0.0394 ( 3310 PWs) bands (ev): -2.8922 -2.8922 -2.8922 -2.8922 -0.2951 -0.2951 -0.2951 -0.2951 3.9291 3.9291 3.9291 3.9291 7.6325 7.6325 7.6325 7.6325 7.9351 7.9351 7.9351 7.9351 8.0922 8.0922 8.0922 8.0922 8.9199 8.9199 8.9199 8.9199 9.1579 9.1579 9.1579 9.1579 9.5874 9.5874 9.5874 9.5874 12.6597 12.6597 12.6597 12.6597 13.3811 13.3811 13.3811 13.3811 14.1536 14.1536 k = 0.0000 0.3095 0.0493 ( 3310 PWs) bands (ev): -2.8830 -2.8830 -2.8830 -2.8830 -0.3243 -0.3243 -0.3243 -0.3243 3.9725 3.9725 3.9725 3.9725 7.6049 7.6049 7.6049 7.6049 7.9627 7.9627 7.9627 7.9627 8.0917 8.0917 8.0917 8.0917 8.9210 8.9210 8.9210 8.9210 9.1608 9.1608 9.1608 9.1608 9.5720 9.5720 9.5720 9.5720 12.6671 12.6671 12.6671 12.6671 13.2704 13.2704 13.2704 13.2704 14.2165 14.2165 k = 0.0000 0.3095 0.0592 ( 3298 PWs) bands (ev): -2.8720 -2.8720 -2.8720 -2.8720 -0.3589 -0.3589 -0.3589 -0.3589 4.0244 4.0244 4.0244 4.0244 7.5767 7.5767 7.5767 7.5767 7.9900 7.9900 7.9900 7.9900 8.0919 8.0919 8.0919 8.0919 8.9219 8.9219 8.9219 8.9219 9.1644 9.1644 9.1644 9.1644 9.5544 9.5544 9.5544 9.5544 12.6758 12.6758 12.6758 12.6758 13.1580 13.1580 13.1580 13.1580 14.2592 14.2592 k = 0.0000 0.3095 0.0690 ( 3298 PWs) bands (ev): -2.8590 -2.8590 -2.8590 -2.8590 -0.3984 -0.3984 -0.3984 -0.3984 4.0841 4.0841 4.0841 4.0841 7.5480 7.5480 7.5480 7.5480 8.0153 8.0153 8.0153 8.0153 8.0939 8.0939 8.0939 8.0939 8.9220 8.9220 8.9220 8.9220 9.1684 9.1684 9.1684 9.1684 9.5354 9.5354 9.5354 9.5354 12.6854 12.6854 12.6854 12.6854 13.0448 13.0448 13.0448 13.0448 14.2744 14.2744 k = 0.0000 0.3095 0.0789 ( 3302 PWs) bands (ev): -2.8442 -2.8442 -2.8442 -2.8442 -0.4421 -0.4421 -0.4421 -0.4421 4.1509 4.1509 4.1509 4.1509 7.5191 7.5191 7.5191 7.5191 8.0357 8.0357 8.0357 8.0357 8.0999 8.0999 8.0999 8.0999 8.9209 8.9209 8.9209 8.9209 9.1728 9.1728 9.1728 9.1728 9.5161 9.5161 9.5161 9.5161 12.6948 12.6948 12.6948 12.6948 12.9324 12.9324 12.9324 12.9324 14.2667 14.2667 k = 0.0000 0.3095 0.0887 ( 3306 PWs) bands (ev): -2.8277 -2.8277 -2.8277 -2.8277 -0.4894 -0.4894 -0.4894 -0.4894 4.2241 4.2241 4.2241 4.2241 7.4900 7.4900 7.4900 7.4900 8.0481 8.0481 8.0481 8.0481 8.1127 8.1127 8.1127 8.1127 8.9180 8.9180 8.9180 8.9180 9.1776 9.1776 9.1776 9.1776 9.4976 9.4976 9.4976 9.4976 12.6976 12.6976 12.6976 12.6976 12.8273 12.8273 12.8273 12.8273 14.2460 14.2460 k = 0.0000 0.3095 0.0986 ( 3306 PWs) bands (ev): -2.8095 -2.8095 -2.8095 -2.8095 -0.5397 -0.5397 -0.5397 -0.5397 4.3028 4.3028 4.3028 4.3028 7.4609 7.4609 7.4609 7.4609 8.0532 8.0532 8.0532 8.0532 8.1316 8.1316 8.1316 8.1316 8.9124 8.9124 8.9124 8.9124 9.1828 9.1828 9.1828 9.1828 9.4814 9.4814 9.4814 9.4814 12.6569 12.6569 12.6569 12.6569 12.7669 12.7669 12.7669 12.7669 14.2181 14.2181 k = 0.0000 0.3095 0.1085 ( 3306 PWs) bands (ev): -2.7897 -2.7897 -2.7897 -2.7897 -0.5923 -0.5923 -0.5923 -0.5923 4.3865 4.3865 4.3865 4.3865 7.4316 7.4316 7.4316 7.4316 8.0540 8.0540 8.0540 8.0540 8.1529 8.1529 8.1529 8.1529 8.9033 8.9033 8.9033 8.9033 9.1881 9.1881 9.1881 9.1881 9.4689 9.4689 9.4689 9.4689 12.5572 12.5572 12.5572 12.5572 12.7669 12.7669 12.7669 12.7669 14.1856 14.1856 k = 0.0000 0.3095 0.1183 ( 3308 PWs) bands (ev): -2.7685 -2.7685 -2.7685 -2.7685 -0.6465 -0.6465 -0.6465 -0.6465 4.4741 4.4741 4.4741 4.4741 7.4022 7.4022 7.4022 7.4022 8.0527 8.0527 8.0527 8.0527 8.1742 8.1742 8.1742 8.1742 8.8903 8.8903 8.8903 8.8903 9.1936 9.1936 9.1936 9.1936 9.4615 9.4615 9.4615 9.4615 12.4448 12.4448 12.4448 12.4448 12.7814 12.7814 12.7814 12.7814 14.1500 14.1500 k = 0.0000 0.3095 0.1282 ( 3300 PWs) bands (ev): -2.7460 -2.7460 -2.7460 -2.7460 -0.7019 -0.7019 -0.7019 -0.7019 4.5650 4.5650 4.5650 4.5650 7.3723 7.3723 7.3723 7.3723 8.0506 8.0506 8.0506 8.0506 8.1941 8.1941 8.1941 8.1941 8.8728 8.8728 8.8728 8.8728 9.1993 9.1993 9.1993 9.1993 9.4601 9.4601 9.4601 9.4601 12.3303 12.3303 12.3303 12.3303 12.8002 12.8002 12.8002 12.8002 14.1120 14.1120 k = 0.0000 0.3095 0.1380 ( 3304 PWs) bands (ev): -2.7225 -2.7225 -2.7225 -2.7225 -0.7577 -0.7577 -0.7577 -0.7577 4.6583 4.6583 4.6583 4.6583 7.3421 7.3421 7.3421 7.3421 8.0478 8.0478 8.0478 8.0478 8.2119 8.2119 8.2119 8.2119 8.8511 8.8511 8.8511 8.8511 9.2049 9.2049 9.2049 9.2049 9.4652 9.4652 9.4652 9.4652 12.2162 12.2162 12.2162 12.2162 12.8213 12.8213 12.8213 12.8213 14.0722 14.0722 k = 0.0000 0.3095 0.1479 ( 3306 PWs) bands (ev): -2.6980 -2.6980 -2.6980 -2.6980 -0.8134 -0.8134 -0.8134 -0.8134 4.7531 4.7531 4.7531 4.7531 7.3114 7.3114 7.3114 7.3114 8.0447 8.0447 8.0447 8.0447 8.2269 8.2269 8.2269 8.2269 8.8261 8.8261 8.8261 8.8261 9.2106 9.2106 9.2106 9.2106 9.4770 9.4770 9.4770 9.4770 12.1034 12.1034 12.1034 12.1034 12.8441 12.8441 12.8441 12.8441 14.0312 14.0312 k = 0.0000 0.3095 0.1578 ( 3304 PWs) bands (ev): -2.6729 -2.6729 -2.6729 -2.6729 -0.8684 -0.8684 -0.8684 -0.8684 4.8486 4.8486 4.8486 4.8486 7.2799 7.2799 7.2799 7.2799 8.0416 8.0416 8.0416 8.0416 8.2389 8.2389 8.2389 8.2389 8.7987 8.7987 8.7987 8.7987 9.2162 9.2162 9.2162 9.2162 9.4950 9.4950 9.4950 9.4950 11.9929 11.9929 11.9929 11.9929 12.8682 12.8682 12.8682 12.8682 13.9895 13.9895 k = 0.0000 0.3095 0.1676 ( 3300 PWs) bands (ev): -2.6475 -2.6475 -2.6475 -2.6475 -0.9221 -0.9221 -0.9221 -0.9221 4.9437 4.9437 4.9437 4.9437 7.2479 7.2479 7.2479 7.2479 8.0386 8.0386 8.0386 8.0386 8.2474 8.2474 8.2474 8.2474 8.7704 8.7704 8.7704 8.7704 9.2217 9.2217 9.2217 9.2217 9.5184 9.5184 9.5184 9.5184 11.8854 11.8854 11.8854 11.8854 12.8933 12.8933 12.8933 12.8933 13.9475 13.9475 k = 0.0000 0.3095 0.1775 ( 3300 PWs) bands (ev): -2.6221 -2.6221 -2.6221 -2.6221 -0.9738 -0.9738 -0.9738 -0.9738 5.0373 5.0373 5.0373 5.0373 7.2152 7.2152 7.2152 7.2152 8.0356 8.0356 8.0356 8.0356 8.2524 8.2524 8.2524 8.2524 8.7426 8.7426 8.7426 8.7426 9.2268 9.2268 9.2268 9.2268 9.5464 9.5464 9.5464 9.5464 11.7819 11.7819 11.7819 11.7819 12.9192 12.9192 12.9192 12.9192 13.9057 13.9057 k = 0.0000 0.3095 0.1873 ( 3300 PWs) bands (ev): -2.5972 -2.5972 -2.5972 -2.5972 -1.0229 -1.0229 -1.0229 -1.0229 5.1283 5.1283 5.1283 5.1283 7.1820 7.1820 7.1820 7.1820 8.0327 8.0327 8.0327 8.0327 8.2539 8.2539 8.2539 8.2539 8.7165 8.7165 8.7165 8.7165 9.2316 9.2316 9.2316 9.2316 9.5778 9.5778 9.5778 9.5778 11.6832 11.6832 11.6832 11.6832 12.9454 12.9454 12.9454 12.9454 13.8646 13.8646 k = 0.0000 0.3095 0.1972 ( 3302 PWs) bands (ev): -2.5731 -2.5731 -2.5731 -2.5731 -1.0687 -1.0687 -1.0687 -1.0687 5.2154 5.2154 5.2154 5.2154 7.1487 7.1487 7.1487 7.1487 8.0300 8.0300 8.0300 8.0300 8.2521 8.2521 8.2521 8.2521 8.6932 8.6932 8.6932 8.6932 9.2360 9.2360 9.2360 9.2360 9.6114 9.6114 9.6114 9.6114 11.5905 11.5905 11.5905 11.5905 12.9717 12.9717 12.9717 12.9717 13.8249 13.8249 k = 0.0000 0.3095 0.2071 ( 3312 PWs) bands (ev): -2.5504 -2.5504 -2.5504 -2.5504 -1.1106 -1.1106 -1.1106 -1.1106 5.2969 5.2969 5.2969 5.2969 7.1159 7.1159 7.1159 7.1159 8.0275 8.0275 8.0275 8.0275 8.2476 8.2476 8.2476 8.2476 8.6733 8.6733 8.6733 8.6733 9.2399 9.2399 9.2399 9.2399 9.6458 9.6458 9.6458 9.6458 11.5050 11.5050 11.5050 11.5050 12.9973 12.9973 12.9973 12.9973 13.7872 13.7872 k = 0.0000 0.3095 0.2169 ( 3304 PWs) bands (ev): -2.5298 -2.5298 -2.5298 -2.5298 -1.1478 -1.1478 -1.1478 -1.1478 5.3712 5.3712 5.3712 5.3712 7.0845 7.0845 7.0845 7.0845 8.0254 8.0254 8.0254 8.0254 8.2413 8.2413 8.2413 8.2413 8.6573 8.6573 8.6573 8.6573 9.2434 9.2434 9.2434 9.2434 9.6795 9.6795 9.6795 9.6795 11.4283 11.4283 11.4283 11.4283 13.0218 13.0218 13.0218 13.0218 13.7524 13.7524 k = 0.0000 0.3095 0.2268 ( 3292 PWs) bands (ev): -2.5117 -2.5117 -2.5117 -2.5117 -1.1795 -1.1795 -1.1795 -1.1795 5.4362 5.4362 5.4362 5.4362 7.0556 7.0556 7.0556 7.0556 8.0235 8.0235 8.0235 8.0235 8.2341 8.2341 8.2341 8.2341 8.6449 8.6449 8.6449 8.6449 9.2463 9.2463 9.2463 9.2463 9.7108 9.7108 9.7108 9.7108 11.3619 11.3619 11.3619 11.3619 13.0441 13.0441 13.0441 13.0441 13.7214 13.7214 k = 0.0000 0.3095 0.2366 ( 3292 PWs) bands (ev): -2.4968 -2.4968 -2.4968 -2.4968 -1.2051 -1.2051 -1.2051 -1.2051 5.4900 5.4900 5.4900 5.4900 7.0306 7.0306 7.0306 7.0306 8.0220 8.0220 8.0220 8.0220 8.2272 8.2272 8.2272 8.2272 8.6357 8.6357 8.6357 8.6357 9.2486 9.2486 9.2486 9.2486 9.7378 9.7378 9.7378 9.7378 11.3076 11.3076 11.3076 11.3076 13.0633 13.0633 13.0633 13.0633 13.6953 13.6953 k = 0.0000 0.3095 0.2465 ( 3292 PWs) bands (ev): -2.4857 -2.4857 -2.4857 -2.4857 -1.2239 -1.2239 -1.2239 -1.2239 5.5303 5.5303 5.5303 5.5303 7.0112 7.0112 7.0112 7.0112 8.0209 8.0209 8.0209 8.0209 8.2215 8.2215 8.2215 8.2215 8.6295 8.6295 8.6295 8.6295 9.2502 9.2502 9.2502 9.2502 9.7588 9.7588 9.7588 9.7588 11.2671 11.2671 11.2671 11.2671 13.0782 13.0782 13.0782 13.0782 13.6754 13.6754 k = 0.0000 0.3095 0.2564 ( 3284 PWs) bands (ev): -2.4788 -2.4788 -2.4788 -2.4788 -1.2354 -1.2354 -1.2354 -1.2354 5.5555 5.5555 5.5555 5.5555 6.9988 6.9988 6.9988 6.9988 8.0203 8.0203 8.0203 8.0203 8.2178 8.2178 8.2178 8.2178 8.6260 8.6260 8.6260 8.6260 9.2512 9.2512 9.2512 9.2512 9.7721 9.7721 9.7721 9.7721 11.2421 11.2421 11.2421 11.2421 13.0878 13.0878 13.0878 13.0878 13.6629 13.6629 k = 0.0000 0.3095 0.2662 ( 3292 PWs) bands (ev): -2.4765 -2.4765 -2.4765 -2.4765 -1.2393 -1.2393 -1.2393 -1.2393 5.5640 5.5640 5.5640 5.5640 6.9945 6.9945 6.9945 6.9945 8.0201 8.0201 8.0201 8.0201 8.2165 8.2165 8.2165 8.2165 8.6247 8.6247 8.6247 8.6247 9.2515 9.2515 9.2515 9.2515 9.7767 9.7767 9.7767 9.7767 11.2336 11.2336 11.2336 11.2336 13.0911 13.0911 13.0911 13.0911 13.6586 13.6586 k = 0.5000-0.0000 0.2662 ( 3292 PWs) bands (ev): -1.1620 -1.1620 -1.1610 -1.1610 0.8886 0.8886 0.8969 0.8969 4.2281 4.2281 4.2667 4.2667 6.7510 6.7510 6.7833 6.7833 7.0051 7.0051 7.1074 7.1074 7.3367 7.3367 7.4212 7.4212 8.4801 8.4801 8.5060 8.5060 8.6197 8.6197 8.6501 8.6501 9.3306 9.3306 9.3618 9.3618 9.8983 9.8983 9.9271 9.9271 10.6496 10.6496 10.7111 10.7111 12.2782 12.2782 k = 0.5000-0.0000 0.2564 ( 3298 PWs) bands (ev): -1.1628 -1.1628 -1.1619 -1.1619 0.8902 0.8902 0.8985 0.8985 4.2289 4.2289 4.2675 4.2675 6.7468 6.7468 6.7757 6.7757 7.0117 7.0117 7.1095 7.1095 7.3380 7.3380 7.4214 7.4214 8.4813 8.4813 8.5059 8.5059 8.6188 8.6188 8.6474 8.6474 9.3252 9.3252 9.3559 9.3559 9.8996 9.8996 9.9277 9.9277 10.6552 10.6552 10.7159 10.7159 12.2787 12.2787 k = 0.5000-0.0000 0.2465 ( 3294 PWs) bands (ev): -1.1654 -1.1654 -1.1645 -1.1645 0.8951 0.8951 0.9034 0.9034 4.2315 4.2315 4.2698 4.2698 6.7348 6.7348 6.7553 6.7553 7.0291 7.0291 7.1155 7.1155 7.3419 7.3419 7.4218 7.4218 8.4846 8.4846 8.5052 8.5052 8.6166 8.6166 8.6397 8.6397 9.3099 9.3099 9.3391 9.3391 9.9034 9.9034 9.9295 9.9295 10.6717 10.6717 10.7301 10.7301 12.2803 12.2803 k = 0.5000-0.0000 0.2366 ( 3302 PWs) bands (ev): -1.1696 -1.1696 -1.1687 -1.1687 0.9032 0.9032 0.9114 0.9114 4.2357 4.2357 4.2736 4.2736 6.7160 6.7160 6.7265 6.7265 7.0526 7.0526 7.1239 7.1239 7.3485 7.3485 7.4228 7.4228 8.4893 8.4893 8.5018 8.5018 8.6145 8.6145 8.6270 8.6270 9.2868 9.2868 9.3137 9.3137 9.9088 9.9088 9.9320 9.9320 10.6980 10.6980 10.7528 10.7528 12.2829 12.2829 k = 0.5000-0.0000 0.2268 ( 3310 PWs) bands (ev): -1.1754 -1.1754 -1.1745 -1.1745 0.9144 0.9144 0.9225 0.9225 4.2416 4.2416 4.2790 4.2790 6.6920 6.6920 6.6928 6.6928 7.0786 7.0786 7.1331 7.1331 7.3580 7.3580 7.4244 7.4244 8.4926 8.4926 8.4934 8.4934 8.6105 8.6105 8.6149 8.6149 9.2591 9.2591 9.2827 9.2827 9.9149 9.9149 9.9348 9.9348 10.7323 10.7323 10.7826 10.7826 12.2864 12.2864 k = 0.5000-0.0000 0.2169 ( 3322 PWs) bands (ev): -1.1826 -1.1826 -1.1817 -1.1817 0.9284 0.9284 0.9364 0.9364 4.2492 4.2492 4.2860 4.2860 6.6563 6.6563 6.6641 6.6641 7.1046 7.1046 7.1416 7.1416 7.3702 7.3702 7.4271 7.4271 8.4746 8.4746 8.4918 8.4918 8.5946 8.5946 8.6201 8.6201 9.2301 9.2301 9.2495 9.2495 9.9211 9.9211 9.9376 9.9376 10.7727 10.7727 10.8182 10.8182 12.2907 12.2907 k = 0.5000-0.0000 0.2071 ( 3318 PWs) bands (ev): -1.1911 -1.1911 -1.1902 -1.1902 0.9450 0.9450 0.9529 0.9529 4.2586 4.2586 4.2946 4.2946 6.6182 6.6182 6.6334 6.6334 7.1290 7.1290 7.1486 7.1486 7.3848 7.3848 7.4309 7.4309 8.4464 8.4464 8.4757 8.4757 8.5879 8.5879 8.6310 8.6310 9.2027 9.2027 9.2171 9.2171 9.9269 9.9269 9.9403 9.9403 10.8177 10.8177 10.8581 10.8581 12.2958 12.2958 k = 0.5000-0.0000 0.1972 ( 3318 PWs) bands (ev): -1.2007 -1.2007 -1.1998 -1.1998 0.9640 0.9640 0.9718 0.9718 4.2698 4.2698 4.3049 4.3049 6.5792 6.5792 6.6008 6.6008 7.1506 7.1506 7.1536 7.1536 7.4012 7.4012 7.4362 7.4362 8.4083 8.4083 8.4408 8.4408 8.5943 8.5943 8.6470 8.6470 9.1789 9.1789 9.1876 9.1876 9.9320 9.9320 9.9426 9.9426 10.8657 10.8657 10.9009 10.9009 12.3015 12.3015 k = 0.5000-0.0000 0.1873 ( 3320 PWs) bands (ev): -1.2113 -1.2113 -1.2104 -1.2104 0.9851 0.9851 0.9927 0.9927 4.2827 4.2827 4.3167 4.3167 6.5397 6.5397 6.5666 6.5666 7.1565 7.1565 7.1688 7.1688 7.4184 7.4184 7.4430 7.4430 8.3615 8.3615 8.3922 8.3922 8.6098 8.6098 8.6670 8.6670 9.1599 9.1599 9.1627 9.1627 9.9364 9.9364 9.9445 9.9445 10.9154 10.9154 10.9457 10.9457 12.3075 12.3075 k = 0.5000-0.0000 0.1775 ( 3320 PWs) bands (ev): -1.2226 -1.2226 -1.2218 -1.2218 1.0079 1.0079 1.0154 1.0154 4.2974 4.2974 4.3302 4.3302 6.4999 6.4999 6.5315 6.5315 7.1576 7.1576 7.1831 7.1831 7.4352 7.4352 7.4509 7.4509 8.3079 8.3079 8.3350 8.3350 8.6307 8.6307 8.6901 8.6901 9.1430 9.1430 9.1461 9.1461 9.9401 9.9401 9.9461 9.9461 10.9660 10.9660 10.9916 10.9916 12.3138 12.3138 k = 0.5000-0.0000 0.1676 ( 3324 PWs) bands (ev): -1.2346 -1.2346 -1.2338 -1.2338 1.0321 1.0321 1.0394 1.0394 4.3139 4.3139 4.3454 4.3454 6.4602 6.4602 6.4957 6.4957 7.1571 7.1571 7.1936 7.1936 7.4506 7.4506 7.4590 7.4590 8.2497 8.2497 8.2731 8.2731 8.6549 8.6549 8.7157 8.7157 9.1286 9.1286 9.1372 9.1372 9.9432 9.9432 9.9474 9.9474 11.0168 11.0168 11.0380 11.0380 12.3199 12.3199 k = 0.5000-0.0000 0.1578 ( 3320 PWs) bands (ev): -1.2469 -1.2469 -1.2461 -1.2461 1.0575 1.0575 1.0645 1.0645 4.3322 4.3322 4.3622 4.3622 6.4206 6.4206 6.4593 6.4593 7.1552 7.1552 7.2006 7.2006 7.4631 7.4631 7.4663 7.4663 8.1895 8.1895 8.2098 8.2098 8.6817 8.6817 8.7432 8.7432 9.1191 9.1191 9.1325 9.1325 9.9458 9.9458 9.9484 9.9484 11.0673 11.0673 11.0845 11.0845 12.3255 12.3255 k = 0.5000-0.0000 0.1479 ( 3312 PWs) bands (ev): -1.2594 -1.2594 -1.2586 -1.2586 1.0835 1.0835 1.0903 1.0903 4.3522 4.3522 4.3807 4.3807 6.3812 6.3812 6.4226 6.4226 7.1523 7.1523 7.2046 7.2046 7.4711 7.4711 7.4714 7.4714 8.1298 8.1298 8.1481 8.1481 8.7102 8.7102 8.7721 8.7721 9.1139 9.1139 9.1316 9.1316 9.9479 9.9479 9.9493 9.9493 11.1173 11.1173 11.1309 11.1309 12.3303 12.3303 k = 0.5000-0.0000 0.1380 ( 3300 PWs) bands (ev): -1.2719 -1.2719 -1.2712 -1.2712 1.1099 1.1099 1.1164 1.1164 4.3739 4.3739 4.4007 4.4007 6.3420 6.3420 6.3856 6.3856 7.1483 7.1483 7.2061 7.2061 7.4716 7.4716 7.4740 7.4740 8.0737 8.0737 8.0908 8.0908 8.7399 8.7399 8.8020 8.8020 9.1122 9.1122 9.1336 9.1336 9.9497 9.9497 9.9500 9.9500 11.1667 11.1667 11.1771 11.1771 12.3338 12.3338 k = 0.5000-0.0000 0.1282 ( 3288 PWs) bands (ev): -1.2843 -1.2843 -1.2836 -1.2836 1.1363 1.1363 1.1425 1.1425 4.3972 4.3972 4.4221 4.4221 6.3033 6.3033 6.3483 6.3483 7.1435 7.1435 7.2056 7.2056 7.4660 7.4660 7.4697 7.4697 8.0238 8.0238 8.0406 8.0406 8.7705 8.7705 8.8323 8.8323 9.1135 9.1135 9.1378 9.1378 9.9505 9.9505 9.9511 9.9511 11.2156 11.2156 11.2231 11.2231 12.3354 12.3354 k = 0.5000-0.0000 0.1183 ( 3284 PWs) bands (ev): -1.2963 -1.2963 -1.2957 -1.2957 1.1623 1.1623 1.1682 1.1682 4.4218 4.4218 4.4449 4.4449 6.2650 6.2650 6.3109 6.3109 7.1377 7.1377 7.2033 7.2033 7.4528 7.4528 7.4577 7.4577 7.9824 7.9824 7.9993 7.9993 8.8014 8.8014 8.8625 8.8625 9.1172 9.1172 9.1439 9.1439 9.9509 9.9509 9.9521 9.9521 11.2639 11.2639 11.2690 11.2690 12.3346 12.3346 k = 0.5000-0.0000 0.1085 ( 3284 PWs) bands (ev): -1.3080 -1.3080 -1.3074 -1.3074 1.1876 1.1876 1.1932 1.1932 4.4476 4.4476 4.4688 4.4688 6.2272 6.2272 6.2733 6.2733 7.1311 7.1311 7.1996 7.1996 7.4318 7.4318 7.4384 7.4384 7.9510 7.9510 7.9680 7.9680 8.8323 8.8323 8.8921 8.8921 9.1227 9.1227 9.1511 9.1511 9.9512 9.9512 9.9529 9.9529 11.3118 11.3118 11.3148 11.3148 12.3305 12.3305 k = 0.5000-0.0000 0.0986 ( 3292 PWs) bands (ev): -1.3190 -1.3190 -1.3185 -1.3185 1.2120 1.2120 1.2171 1.2171 4.4744 4.4744 4.4935 4.4935 6.1902 6.1902 6.2358 6.2358 7.1234 7.1234 7.1943 7.1943 7.4041 7.4041 7.4131 7.4131 7.9292 7.9292 7.9460 7.9460 8.8626 8.8626 8.9208 8.9208 9.1295 9.1295 9.1591 9.1591 9.9514 9.9514 9.9535 9.9535 11.3594 11.3594 11.3607 11.3607 12.3225 12.3225 k = 0.5000-0.0000 0.0887 ( 3292 PWs) bands (ev): -1.3294 -1.3294 -1.3289 -1.3289 1.2350 1.2350 1.2397 1.2397 4.5017 4.5017 4.5187 4.5187 6.1543 6.1543 6.1985 6.1985 7.1147 7.1147 7.1874 7.1874 7.3721 7.3721 7.3846 7.3846 7.9158 7.9158 7.9319 7.9319 8.8921 8.8921 8.9480 8.9480 9.1374 9.1374 9.1675 9.1675 9.9515 9.9515 9.9539 9.9539 11.4069 11.4069 11.4070 11.4070 12.3101 12.3101 k = 0.5000-0.0000 0.0789 ( 3292 PWs) bands (ev): -1.3389 -1.3389 -1.3385 -1.3385 1.2565 1.2565 1.2608 1.2608 4.5291 4.5291 4.5440 4.5440 6.1198 6.1198 6.1619 6.1619 7.1049 7.1049 7.1783 7.1783 7.3392 7.3392 7.3553 7.3553 7.9088 7.9088 7.9238 7.9238 8.9203 8.9203 8.9732 8.9732 9.1460 9.1460 9.1758 9.1758 9.9516 9.9516 9.9540 9.9540 11.4534 11.4534 11.4544 11.4544 12.2927 12.2927 k = 0.5000-0.0000 0.0690 ( 3288 PWs) bands (ev): -1.3475 -1.3475 -1.3471 -1.3471 1.2761 1.2761 1.2799 1.2799 4.5560 4.5560 4.5689 4.5689 6.0871 6.0871 6.1263 6.1263 7.0942 7.0942 7.1662 7.1662 7.3087 7.3087 7.3278 7.3278 7.9062 7.9062 7.9198 7.9198 8.9469 8.9469 8.9961 8.9961 9.1549 9.1549 9.1838 9.1838 9.9516 9.9516 9.9541 9.9541 11.5001 11.5001 11.5018 11.5018 12.2701 12.2701 k = 0.5000-0.0000 0.0592 ( 3284 PWs) bands (ev): -1.3552 -1.3552 -1.3548 -1.3548 1.2936 1.2936 1.2969 1.2969 4.5819 4.5819 4.5926 4.5926 6.0569 6.0569 6.0923 6.0923 7.0830 7.0830 7.1506 7.1506 7.2834 7.2834 7.3036 7.3036 7.9065 7.9065 7.9184 7.9184 8.9715 8.9715 9.0160 9.0160 9.1639 9.1639 9.1910 9.1910 9.9517 9.9517 9.9540 9.9540 11.5467 11.5467 11.5488 11.5488 12.2426 12.2426 k = 0.5000-0.0000 0.0493 ( 3292 PWs) bands (ev): -1.3617 -1.3617 -1.3614 -1.3614 1.3089 1.3089 1.3117 1.3117 4.6059 4.6059 4.6146 4.6146 6.0298 6.0298 6.0607 6.0607 7.0719 7.0719 7.1318 7.1318 7.2644 7.2644 7.2835 7.2835 7.9084 7.9084 7.9184 7.9184 8.9936 8.9936 9.0327 9.0327 9.1726 9.1726 9.1970 9.1970 9.9518 9.9518 9.9539 9.9539 11.5929 11.5929 11.5951 11.5951 12.2109 12.2109 k = 0.5000-0.0000 0.0394 ( 3292 PWs) bands (ev): -1.3672 -1.3672 -1.3670 -1.3670 1.3217 1.3217 1.3239 1.3239 4.6272 4.6272 4.6340 4.6340 6.0067 6.0067 6.0324 6.0324 7.0621 7.0621 7.1117 7.1117 7.2516 7.2516 7.2676 7.2676 7.9111 7.9111 7.9192 7.9192 9.0131 9.0131 9.0457 9.0457 9.1810 9.1810 9.2018 9.2018 9.9518 9.9518 9.9536 9.9536 11.6379 11.6379 11.6400 11.6400 12.1764 12.1764 k = 0.5000-0.0000 0.0296 ( 3292 PWs) bands (ev): -1.3715 -1.3715 -1.3713 -1.3713 1.3318 1.3318 1.3335 1.3335 4.6451 4.6451 4.6501 4.6501 5.9884 5.9884 6.0083 6.0083 7.0545 7.0545 7.0923 7.0923 7.2436 7.2436 7.2556 7.2556 7.9139 7.9139 7.9200 7.9200 9.0296 9.0296 9.0549 9.0549 9.1887 9.1887 9.2051 9.2051 9.9519 9.9519 9.9533 9.9533 11.6798 11.6798 11.6816 11.6816 12.1416 12.1416 k = 0.5000-0.0000 0.0197 ( 3280 PWs) bands (ev): -1.3745 -1.3745 -1.3744 -1.3744 1.3392 1.3392 1.3404 1.3404 4.6588 4.6588 4.6620 4.6620 5.9757 5.9757 5.9892 5.9892 7.0501 7.0501 7.0755 7.0755 7.2391 7.2391 7.2470 7.2470 7.9165 7.9165 7.9206 7.9206 9.0429 9.0429 9.0602 9.0602 9.1954 9.1954 9.2068 9.2068 9.9521 9.9521 9.9531 9.9531 11.7160 11.7160 11.7173 11.7173 12.1099 12.1099 k = 0.5000-0.0000 0.0099 ( 3278 PWs) bands (ev): -1.3764 -1.3764 -1.3763 -1.3763 1.3438 1.3438 1.3444 1.3444 4.6675 4.6675 4.6691 4.6691 5.9692 5.9692 5.9760 5.9760 7.0497 7.0497 7.0624 7.0624 7.2374 7.2374 7.2412 7.2412 7.9186 7.9186 7.9206 7.9206 9.0528 9.0528 9.0616 9.0616 9.2007 9.2007 9.2065 9.2065 9.9523 9.9523 9.9528 9.9528 11.7418 11.7418 11.7425 11.7425 12.0869 12.0869 k = 0.5000-0.0000-0.0000 ( 3284 PWs) bands (ev): -1.3770 -1.3770 -1.3770 -1.3770 1.3456 1.3456 1.3456 1.3456 4.6710 4.6710 4.6710 4.6710 5.9693 5.9693 5.9693 5.9693 7.0538 7.0538 7.0538 7.0538 7.2381 7.2381 7.2381 7.2381 7.9199 7.9199 7.9199 7.9199 9.0591 9.0591 9.0591 9.0591 9.2044 9.2044 9.2044 9.2044 9.9525 9.9525 9.9525 9.9525 11.7515 11.7515 11.7515 11.7515 12.0783 12.0783 k = 0.5000 0.3095-0.0000 ( 3256 PWs) bands (ev): -1.1298 -1.1298 -1.1272 -1.1272 0.9768 0.9768 0.9839 0.9839 5.2278 5.2278 5.2779 5.2779 5.3250 5.3250 5.3597 5.3597 6.5822 6.5822 6.6722 6.6722 7.2345 7.2345 7.2486 7.2486 7.5151 7.5151 7.6285 7.6285 8.8485 8.8485 8.8833 8.8833 9.1388 9.1388 9.1550 9.1550 10.0241 10.0241 10.0362 10.0362 11.3864 11.3864 11.4157 11.4157 14.4053 14.4053 k = 0.5000 0.3095 0.0099 ( 3256 PWs) bands (ev): -1.1293 -1.1293 -1.1267 -1.1267 0.9766 0.9766 0.9837 0.9837 5.2185 5.2185 5.2683 5.2683 5.3248 5.3248 5.3587 5.3587 6.5923 6.5923 6.6813 6.6813 7.2349 7.2349 7.2490 7.2490 7.5168 7.5168 7.6297 7.6297 8.8495 8.8495 8.8837 8.8837 9.1404 9.1404 9.1561 9.1561 10.0240 10.0240 10.0362 10.0362 11.3880 11.3880 11.4173 11.4173 14.3879 14.3879 k = 0.5000 0.3095 0.0197 ( 3260 PWs) bands (ev): -1.1278 -1.1278 -1.1253 -1.1253 0.9762 0.9762 0.9832 0.9832 5.1929 5.1929 5.2418 5.2418 5.3225 5.3225 5.3542 5.3542 6.6216 6.6216 6.7081 6.7081 7.2362 7.2362 7.2501 7.2501 7.5219 7.5219 7.6332 7.6332 8.8523 8.8523 8.8850 8.8850 9.1451 9.1451 9.1595 9.1595 10.0238 10.0238 10.0362 10.0362 11.3931 11.3931 11.4219 11.4219 14.3605 14.3605 k = 0.5000 0.3095 0.0296 ( 3256 PWs) bands (ev): -1.1254 -1.1254 -1.1229 -1.1229 0.9754 0.9754 0.9823 0.9823 5.1555 5.1555 5.2028 5.2028 5.3152 5.3152 5.3439 5.3439 6.6682 6.6682 6.7510 6.7510 7.2385 7.2385 7.2520 7.2520 7.5302 7.5302 7.6388 7.6388 8.8570 8.8570 8.8871 8.8871 9.1531 9.1531 9.1652 9.1652 10.0234 10.0234 10.0363 10.0363 11.4015 11.4015 11.4298 11.4298 14.3301 14.3301 k = 0.5000 0.3095 0.0394 ( 3256 PWs) bands (ev): -1.1221 -1.1221 -1.1196 -1.1196 0.9743 0.9743 0.9811 0.9811 5.1098 5.1098 5.1550 5.1550 5.3019 5.3019 5.3271 5.3271 6.7294 6.7294 6.8079 6.8079 7.2417 7.2417 7.2548 7.2548 7.5412 7.5412 7.6463 7.6463 8.8631 8.8631 8.8899 8.8899 9.1644 9.1644 9.1734 9.1734 10.0228 10.0228 10.0363 10.0363 11.4135 11.4135 11.4410 11.4410 14.2973 14.2973 k = 0.5000 0.3095 0.0493 ( 3260 PWs) bands (ev): -1.1179 -1.1179 -1.1154 -1.1154 0.9728 0.9728 0.9796 0.9796 5.0583 5.0583 5.1013 5.1013 5.2824 5.2824 5.3041 5.3041 6.8023 6.8023 6.8764 6.8764 7.2459 7.2459 7.2584 7.2584 7.5546 7.5546 7.6554 7.6554 8.8704 8.8704 8.8931 8.8931 9.1790 9.1790 9.1844 9.1844 10.0220 10.0220 10.0363 10.0363 11.4291 11.4291 11.4555 11.4555 14.2622 14.2622 k = 0.5000 0.3095 0.0592 ( 3260 PWs) bands (ev): -1.1128 -1.1128 -1.1104 -1.1104 0.9710 0.9710 0.9776 0.9776 5.0033 5.0033 5.0437 5.0437 5.2574 5.2574 5.2757 5.2757 6.8841 6.8841 6.9539 6.9539 7.2512 7.2512 7.2631 7.2631 7.5699 7.5699 7.6658 7.6658 8.8784 8.8784 8.8967 8.8967 9.1971 9.1971 9.1982 9.1982 10.0210 10.0210 10.0363 10.0363 11.4486 11.4486 11.4737 11.4737 14.2249 14.2249 k = 0.5000 0.3095 0.0690 ( 3268 PWs) bands (ev): -1.1069 -1.1069 -1.1046 -1.1046 0.9689 0.9689 0.9754 0.9754 4.9463 4.9463 4.9843 4.9843 5.2275 5.2275 5.2426 5.2426 6.9723 6.9723 7.0380 7.0380 7.2577 7.2577 7.2688 7.2688 7.5867 7.5867 7.6772 7.6772 8.8867 8.8867 8.9002 8.9002 9.2150 9.2150 9.2186 9.2186 10.0198 10.0198 10.0363 10.0363 11.4721 11.4721 11.4956 11.4956 14.1855 14.1855 k = 0.5000 0.3095 0.0789 ( 3280 PWs) bands (ev): -1.1003 -1.1003 -1.0980 -1.0980 0.9665 0.9665 0.9727 0.9727 4.8888 4.8888 4.9243 4.9243 5.1935 5.1935 5.2057 5.2057 7.0644 7.0644 7.1258 7.1258 7.2662 7.2662 7.2756 7.2756 7.6052 7.6052 7.6898 7.6898 8.8948 8.8948 8.9037 8.9037 9.2350 9.2350 9.2434 9.2434 10.0183 10.0183 10.0362 10.0362 11.4997 11.4997 11.5214 11.5214 14.1440 14.1440 k = 0.5000 0.3095 0.0887 ( 3268 PWs) bands (ev): -1.0931 -1.0931 -1.0908 -1.0908 0.9637 0.9637 0.9697 0.9697 4.8317 4.8317 4.8650 4.8650 5.1563 5.1563 5.1658 5.1658 7.1577 7.1577 7.2113 7.2113 7.2802 7.2802 7.2842 7.2842 7.6256 7.6256 7.7039 7.7039 8.9025 8.9025 8.9071 8.9071 9.2581 9.2581 9.2714 9.2714 10.0166 10.0166 10.0362 10.0362 11.5320 11.5320 11.5516 11.5516 14.1004 14.1004 k = 0.5000 0.3095 0.0986 ( 3272 PWs) bands (ev): -1.0852 -1.0852 -1.0831 -1.0831 0.9606 0.9606 0.9664 0.9664 4.7760 4.7760 4.8073 4.8073 5.1165 5.1165 5.1235 5.1235 7.2457 7.2457 7.2644 7.2644 7.2975 7.2975 7.3271 7.3271 7.6491 7.6491 7.7208 7.7208 8.9094 8.9094 8.9101 8.9101 9.2841 9.2841 9.3022 9.3022 10.0146 10.0146 10.0360 10.0360 11.5688 11.5688 11.5860 11.5860 14.0548 14.0548 k = 0.5000 0.3095 0.1085 ( 3276 PWs) bands (ev): -1.0769 -1.0769 -1.0748 -1.0748 0.9572 0.9572 0.9627 0.9627 4.7224 4.7224 4.7518 4.7518 5.0749 5.0749 5.0796 5.0796 7.2813 7.2813 7.2920 7.2920 7.3483 7.3483 7.4065 7.4065 7.6782 7.6782 7.7429 7.7429 8.9126 8.9126 8.9152 8.9152 9.3129 9.3129 9.3356 9.3356 10.0123 10.0123 10.0358 10.0358 11.6103 11.6103 11.6250 11.6250 14.0072 14.0072 k = 0.5000 0.3095 0.1183 ( 3276 PWs) bands (ev): -1.0682 -1.0682 -1.0662 -1.0662 0.9535 0.9535 0.9588 0.9588 4.6714 4.6714 4.6991 4.6991 5.0319 5.0319 5.0346 5.0346 7.2933 7.2933 7.3060 7.3060 7.4215 7.4215 7.4813 7.4813 7.7173 7.7173 7.7749 7.7749 8.9146 8.9146 8.9198 8.9198 9.3440 9.3440 9.3713 9.3713 10.0097 10.0097 10.0355 10.0355 11.6569 11.6569 11.6687 11.6687 13.9578 13.9578 k = 0.5000 0.3095 0.1282 ( 3272 PWs) bands (ev): -1.0592 -1.0592 -1.0572 -1.0572 0.9496 0.9496 0.9546 0.9546 4.6235 4.6235 4.6497 4.6497 4.9883 4.9883 4.9891 4.9891 7.3049 7.3049 7.3179 7.3179 7.4810 7.4810 7.5402 7.5402 7.7711 7.7711 7.8224 7.8224 8.9161 8.9161 8.9231 8.9231 9.3770 9.3770 9.4088 9.4088 10.0066 10.0066 10.0350 10.0350 11.7085 11.7085 11.7173 11.7173 13.9067 13.9067 k = 0.5000 0.3095 0.1380 ( 3264 PWs) bands (ev): -1.0500 -1.0500 -1.0482 -1.0482 0.9454 0.9454 0.9501 0.9501 4.5791 4.5791 4.6038 4.6038 4.9437 4.9437 4.9446 4.9446 7.3168 7.3168 7.3299 7.3299 7.5222 7.5222 7.5793 7.5793 7.8408 7.8408 7.8876 7.8876 8.9169 8.9169 8.9251 8.9251 9.4115 9.4115 9.4476 9.4476 10.0032 10.0032 10.0344 10.0344 11.7651 11.7651 11.7707 11.7707 13.8541 13.8541 k = 0.5000 0.3095 0.1479 ( 3272 PWs) bands (ev): -1.0408 -1.0408 -1.0390 -1.0390 0.9411 0.9411 0.9455 0.9455 4.5383 4.5383 4.5617 4.5617 4.8989 4.8989 4.9012 4.9012 7.3292 7.3292 7.3424 7.3424 7.5481 7.5481 7.6018 7.6018 7.9221 7.9221 7.9661 7.9661 8.9167 8.9167 8.9256 8.9256 9.4469 9.4469 9.4874 9.4874 9.9992 9.9992 10.0334 10.0334 11.8265 11.8265 11.8288 11.8288 13.8006 13.8006 k = 0.5000 0.3095 0.1578 ( 3284 PWs) bands (ev): -1.0316 -1.0316 -1.0300 -1.0300 0.9367 0.9367 0.9407 0.9407 4.5015 4.5015 4.5235 4.5235 4.8552 4.8552 4.8587 4.8587 7.3419 7.3419 7.3553 7.3553 7.5635 7.5635 7.6133 7.6133 8.0094 8.0094 8.0514 8.0514 8.9155 8.9155 8.9244 8.9244 9.4830 9.4830 9.5277 9.5277 9.9946 9.9946 10.0319 10.0319 11.8914 11.8914 11.8926 11.8926 13.7465 13.7465 k = 0.5000 0.3095 0.1676 ( 3288 PWs) bands (ev): -1.0227 -1.0227 -1.0212 -1.0212 0.9323 0.9323 0.9360 0.9360 4.4687 4.4687 4.4894 4.4894 4.8129 4.8129 4.8175 4.8175 7.3551 7.3551 7.3688 7.3688 7.5719 7.5719 7.6179 7.6179 8.0983 8.0983 8.1386 8.1386 8.9133 8.9133 8.9218 8.9218 9.5194 9.5194 9.5682 9.5682 9.9895 9.9895 10.0301 10.0301 11.9584 11.9584 11.9629 11.9629 13.6926 13.6926 k = 0.5000 0.3095 0.1775 ( 3288 PWs) bands (ev): -1.0141 -1.0141 -1.0127 -1.0127 0.9279 0.9279 0.9312 0.9312 4.4399 4.4399 4.4593 4.4593 4.7727 4.7727 4.7780 4.7780 7.3688 7.3688 7.3827 7.3827 7.5756 7.5756 7.6178 7.6178 8.1860 8.1860 8.2247 8.2247 8.9099 8.9099 8.9174 8.9174 9.5558 9.5558 9.6085 9.6085 9.9836 9.9836 10.0276 10.0276 12.0290 12.0290 12.0368 12.0368 13.6397 13.6397 k = 0.5000 0.3095 0.1873 ( 3288 PWs) bands (ev): -1.0059 -1.0059 -1.0047 -1.0047 0.9237 0.9237 0.9266 0.9266 4.4152 4.4152 4.4333 4.4333 4.7348 4.7348 4.7407 4.7407 7.3827 7.3827 7.3969 7.3969 7.5757 7.5757 7.6145 7.6145 8.2708 8.2708 8.3077 8.3077 8.9050 8.9050 8.9111 8.9111 9.5919 9.5919 9.6482 9.6482 9.9769 9.9769 10.0242 10.0242 12.1025 12.1025 12.1134 12.1134 13.5887 13.5887 k = 0.5000 0.3095 0.1972 ( 3292 PWs) bands (ev): -0.9984 -0.9984 -0.9973 -0.9973 0.9197 0.9197 0.9223 0.9223 4.3946 4.3946 4.4111 4.4111 4.6997 4.6997 4.7060 4.7060 7.3967 7.3967 7.4114 7.4114 7.5731 7.5731 7.6087 7.6087 8.3512 8.3512 8.3862 8.3862 8.8983 8.8983 8.9027 8.9027 9.6273 9.6273 9.6867 9.6867 9.9694 9.9694 10.0198 10.0198 12.1780 12.1780 12.1915 12.1915 13.5410 13.5410 k = 0.5000 0.3095 0.2071 ( 3300 PWs) bands (ev): -0.9915 -0.9915 -0.9906 -0.9906 0.9160 0.9160 0.9182 0.9182 4.3777 4.3777 4.3927 4.3927 4.6680 4.6680 4.6743 4.6743 7.4108 7.4108 7.4258 7.4258 7.5685 7.5685 7.6010 7.6010 8.4264 8.4264 8.4593 8.4593 8.8895 8.8895 8.8919 8.8919 9.6619 9.6619 9.7236 9.7236 9.9610 9.9610 10.0142 10.0142 12.2540 12.2540 12.2696 12.2696 13.4978 13.4978 k = 0.5000 0.3095 0.2169 ( 3296 PWs) bands (ev): -0.9855 -0.9855 -0.9847 -0.9847 0.9127 0.9127 0.9146 0.9146 4.3646 4.3646 4.3777 4.3777 4.6401 4.6401 4.6462 4.6462 7.4250 7.4250 7.4403 7.4403 7.5623 7.5623 7.5919 7.5919 8.4958 8.4958 8.5262 8.5262 8.8784 8.8784 8.8784 8.8784 9.6953 9.6953 9.7582 9.7582 9.9520 9.9520 10.0071 10.0071 12.3285 12.3285 12.3455 12.3455 13.4605 13.4605 k = 0.5000 0.3095 0.2268 ( 3308 PWs) bands (ev): -0.9804 -0.9804 -0.9798 -0.9798 0.9099 0.9099 0.9114 0.9114 4.3549 4.3549 4.3659 4.3659 4.6165 4.6165 4.6220 4.6220 7.4388 7.4388 7.4542 7.4542 7.5550 7.5550 7.5816 7.5816 8.5588 8.5588 8.5865 8.5865 8.8620 8.8620 8.8646 8.8646 9.7270 9.7270 9.7891 9.7891 9.9429 9.9429 9.9983 9.9983 12.3992 12.3992 12.4162 12.4162 13.4309 13.4309 k = 0.5000 0.3095 0.2366 ( 3312 PWs) bands (ev): -0.9764 -0.9764 -0.9759 -0.9759 0.9077 0.9077 0.9089 0.9089 4.3482 4.3482 4.3568 4.3568 4.5976 4.5976 4.6022 4.6022 7.4522 7.4522 7.4671 7.4671 7.5474 7.5474 7.5706 7.5706 8.6154 8.6154 8.6400 8.6400 8.8423 8.8423 8.8477 8.8477 9.7566 9.7566 9.8145 9.8145 9.9351 9.9351 9.9877 9.9877 12.4625 12.4625 12.4780 12.4780 13.4100 13.4100 k = 0.5000 0.3095 0.2465 ( 3316 PWs) bands (ev): -0.9734 -0.9734 -0.9730 -0.9730 0.9062 0.9062 0.9069 0.9069 4.3443 4.3443 4.3502 4.3502 4.5840 4.5840 4.5873 4.5873 7.4646 7.4646 7.4777 7.4777 7.5408 7.5408 7.5595 7.5595 8.6652 8.6652 8.6863 8.6863 8.8195 8.8195 8.8275 8.8275 9.7834 9.7834 9.8307 9.8307 9.9316 9.9316 9.9752 9.9752 12.5142 12.5142 12.5263 12.5263 13.3984 13.3984 k = 0.5000 0.3095 0.2564 ( 3312 PWs) bands (ev): -0.9715 -0.9715 -0.9714 -0.9714 0.9053 0.9053 0.9057 0.9057 4.3427 4.3427 4.3458 4.3458 4.5761 4.5761 4.5778 4.5778 7.4754 7.4754 7.4837 7.4837 7.5379 7.5379 7.5490 7.5490 8.7074 8.7074 8.7233 8.7233 8.7953 8.7953 8.8046 8.8046 9.8066 9.8066 9.8338 9.8338 9.9359 9.9359 9.9613 9.9613 12.5495 12.5495 12.5562 12.5562 13.3944 13.3944 k = 0.5000 0.3095 0.2662 ( 3320 PWs) bands (ev): -0.9709 -0.9709 -0.9709 -0.9709 0.9051 0.9051 0.9051 0.9051 4.3433 4.3433 4.3433 4.3433 4.5740 4.5740 4.5740 4.5740 7.4826 7.4826 7.4826 7.4826 7.5409 7.5409 7.5409 7.5409 8.7354 8.7354 8.7354 8.7354 8.7852 8.7852 8.7852 8.7852 9.8244 9.8244 9.8244 9.8244 9.9471 9.9471 9.9471 9.9471 12.5643 12.5643 12.5643 12.5643 13.3941 13.3941 Writing output data file CoAs2.save init_run : 0.29s CPU 0.63s WALL ( 1 calls) electrons : 355.62s CPU 359.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 355.62s CPU 359.60s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.08s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 452 calls) cegterg : 331.69s CPU 335.00s WALL ( 922 calls) Called by sum_band: Called by *egterg: h_psi : 215.33s CPU 223.39s WALL ( 15395 calls) s_psi : 13.37s CPU 13.94s WALL ( 15395 calls) g_psi : 0.32s CPU 0.44s WALL ( 14021 calls) cdiaghg : 86.64s CPU 82.32s WALL ( 14473 calls) cegterg:over : 16.17s CPU 14.50s WALL ( 14021 calls) cegterg:upda : 3.13s CPU 6.20s WALL ( 14021 calls) cegterg:last : 3.90s CPU 4.92s WALL ( 2600 calls) Called by h_psi: h_psi:vloc : 200.13s CPU 203.28s WALL ( 15395 calls) h_psi:vnl : 15.11s CPU 19.81s WALL ( 15395 calls) add_vuspsi : 6.57s CPU 9.66s WALL ( 15395 calls) General routines calbec : 8.52s CPU 10.11s WALL ( 15395 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 199.08s CPU 197.42s WALL ( 1441520 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.05s CPU 0.18s WALL ( 904 calls) Parallel routines fft_scatter : 190.80s CPU 142.60s WALL ( 1441543 calls) PWSCF : 6m24.19s CPU 6m41.43s WALL This run was terminated on: 17: 0:43 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=