Program PWSCF v.5.1.1 starts on 8Oct2015 at 17: 9:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlGaN2.save/ file Ga.rel-pbe-dnl-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 18 10 3 594 236 41 Max 19 11 4 601 253 48 Sum 885 489 149 28675 11587 2071 bravais-lattice index = 14 lattice parameter (alat) = 5.9329 a.u. unit-cell volume = 295.3353 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.932897 celldm(2)= 1.000000 celldm(3)= 1.414214 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.414214 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.707107 ) PseudoPot. # 1 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 N 5.00 14.00670 N( 1.00) Al 3.00 26.98150 Al( 1.00) Ga 13.00 69.72300 Ga( 1.00) 8 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] 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 [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 7) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2d (-42m) there are 7 classes and 2 irreducible representations the character table: E -E C2 2S4 -2S4 2C2' 2s_d -C2 -2C2' -2s_d G_6 2.00 -2.00 0.00 1.41 -1.41 0.00 0.00 G_7 2.00 -2.00 0.00 -1.41 1.41 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2' -2C2' 3 -3 4 -4 2s_d -2s_d 5 -5 6 -6 2S4 7 8 -E -1 -2S4 -7 -8 Cartesian axes number of k points= 463 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598 k( 2) = ( 0.0000000 0.0098039 -0.0000000), wk = 0.0021598 k( 3) = ( 0.0000000 0.0196078 -0.0000000), wk = 0.0021598 k( 4) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0021598 k( 5) = ( 0.0000000 0.0392157 -0.0000000), wk = 0.0021598 k( 6) = ( 0.0000000 0.0490196 -0.0000000), wk = 0.0021598 k( 7) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0021598 k( 8) = ( 0.0000000 0.0686275 -0.0000000), wk = 0.0021598 k( 9) = ( 0.0000000 0.0784314 -0.0000000), wk = 0.0021598 k( 10) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0021598 k( 11) = ( 0.0000000 0.0980392 -0.0000000), wk = 0.0021598 k( 12) = ( 0.0000000 0.1078431 -0.0000000), wk = 0.0021598 k( 13) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0021598 k( 14) = ( 0.0000000 0.1274510 -0.0000000), wk = 0.0021598 k( 15) = ( 0.0000000 0.1372549 -0.0000000), wk = 0.0021598 k( 16) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0021598 k( 17) = ( 0.0000000 0.1568627 -0.0000000), wk = 0.0021598 k( 18) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0021598 k( 19) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0021598 k( 20) = ( 0.0000000 0.1862745 -0.0000000), wk = 0.0021598 k( 21) = ( 0.0000000 0.1960784 -0.0000000), wk = 0.0021598 k( 22) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0021598 k( 23) = ( 0.0000000 0.2156863 -0.0000000), wk = 0.0021598 k( 24) = ( 0.0000000 0.2254902 -0.0000000), wk = 0.0021598 k( 25) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0021598 k( 26) = ( 0.0000000 0.2450980 -0.0000000), wk = 0.0021598 k( 27) = ( 0.0000000 0.2549020 -0.0000000), wk = 0.0021598 k( 28) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0021598 k( 29) = ( 0.0000000 0.2745098 -0.0000000), wk = 0.0021598 k( 30) = ( 0.0000000 0.2843137 -0.0000000), wk = 0.0021598 k( 31) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0021598 k( 32) = ( 0.0000000 0.3039216 -0.0000000), wk = 0.0021598 k( 33) = ( 0.0000000 0.3137255 -0.0000000), wk = 0.0021598 k( 34) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0021598 k( 35) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0021598 k( 36) = ( 0.0000000 0.3431373 -0.0000000), wk = 0.0021598 k( 37) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0021598 k( 38) = ( 0.0000000 0.3627451 -0.0000000), wk = 0.0021598 k( 39) = ( 0.0000000 0.3725490 -0.0000000), wk = 0.0021598 k( 40) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0021598 k( 41) = ( 0.0000000 0.3921569 -0.0000000), wk = 0.0021598 k( 42) = ( 0.0000000 0.4019608 -0.0000000), wk = 0.0021598 k( 43) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0021598 k( 44) = ( 0.0000000 0.4215686 -0.0000000), wk = 0.0021598 k( 45) = ( 0.0000000 0.4313726 -0.0000000), wk = 0.0021598 k( 46) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0021598 k( 47) = ( 0.0000000 0.4509804 -0.0000000), wk = 0.0021598 k( 48) = ( 0.0000000 0.4607843 -0.0000000), wk = 0.0021598 k( 49) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0021598 k( 50) = ( 0.0000000 0.4803922 -0.0000000), wk = 0.0021598 k( 51) = ( 0.0000000 0.4901961 -0.0000000), wk = 0.0021598 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021598 k( 53) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021598 k( 54) = ( 0.0098039 0.5000000 -0.0000000), wk = 0.0021598 k( 55) = ( 0.0196078 0.5000000 -0.0000000), wk = 0.0021598 k( 56) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0021598 k( 57) = ( 0.0392157 0.5000000 -0.0000000), wk = 0.0021598 k( 58) = ( 0.0490196 0.5000000 -0.0000000), wk = 0.0021598 k( 59) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0021598 k( 60) = ( 0.0686275 0.5000000 -0.0000000), wk = 0.0021598 k( 61) = ( 0.0784314 0.5000000 -0.0000000), wk = 0.0021598 k( 62) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0021598 k( 63) = ( 0.0980392 0.5000000 -0.0000000), wk = 0.0021598 k( 64) = ( 0.1078431 0.5000000 -0.0000000), wk = 0.0021598 k( 65) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0021598 k( 66) = ( 0.1274510 0.5000000 -0.0000000), wk = 0.0021598 k( 67) = ( 0.1372549 0.5000000 -0.0000000), wk = 0.0021598 k( 68) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0021598 k( 69) = ( 0.1568627 0.5000000 -0.0000000), wk = 0.0021598 k( 70) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0021598 k( 71) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0021598 k( 72) = ( 0.1862745 0.5000000 -0.0000000), wk = 0.0021598 k( 73) = ( 0.1960784 0.5000000 -0.0000000), wk = 0.0021598 k( 74) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0021598 k( 75) = ( 0.2156863 0.5000000 -0.0000000), wk = 0.0021598 k( 76) = ( 0.2254902 0.5000000 -0.0000000), wk = 0.0021598 k( 77) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0021598 k( 78) = ( 0.2450980 0.5000000 -0.0000000), wk = 0.0021598 k( 79) = ( 0.2549020 0.5000000 -0.0000000), wk = 0.0021598 k( 80) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0021598 k( 81) = ( 0.2745098 0.5000000 -0.0000000), wk = 0.0021598 k( 82) = ( 0.2843137 0.5000000 -0.0000000), wk = 0.0021598 k( 83) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0021598 k( 84) = ( 0.3039216 0.5000000 -0.0000000), wk = 0.0021598 k( 85) = ( 0.3137255 0.5000000 -0.0000000), wk = 0.0021598 k( 86) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0021598 k( 87) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0021598 k( 88) = ( 0.3431373 0.5000000 -0.0000000), wk = 0.0021598 k( 89) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0021598 k( 90) = ( 0.3627451 0.5000000 -0.0000000), wk = 0.0021598 k( 91) = ( 0.3725490 0.5000000 -0.0000000), wk = 0.0021598 k( 92) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0021598 k( 93) = ( 0.3921569 0.5000000 -0.0000000), wk = 0.0021598 k( 94) = ( 0.4019608 0.5000000 -0.0000000), wk = 0.0021598 k( 95) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0021598 k( 96) = ( 0.4215686 0.5000000 -0.0000000), wk = 0.0021598 k( 97) = ( 0.4313726 0.5000000 -0.0000000), wk = 0.0021598 k( 98) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0021598 k( 99) = ( 0.4509804 0.5000000 -0.0000000), wk = 0.0021598 k( 100) = ( 0.4607843 0.5000000 -0.0000000), wk = 0.0021598 k( 101) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0021598 k( 102) = ( 0.4803922 0.5000000 -0.0000000), wk = 0.0021598 k( 103) = ( 0.4901961 0.5000000 -0.0000000), wk = 0.0021598 k( 104) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021598 k( 105) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021598 k( 106) = ( 0.4929577 0.4929577 -0.0000000), wk = 0.0021598 k( 107) = ( 0.4859155 0.4859155 -0.0000000), wk = 0.0021598 k( 108) = ( 0.4788732 0.4788732 -0.0000000), wk = 0.0021598 k( 109) = ( 0.4718310 0.4718310 -0.0000000), wk = 0.0021598 k( 110) = ( 0.4647887 0.4647887 -0.0000000), wk = 0.0021598 k( 111) = ( 0.4577465 0.4577465 -0.0000000), wk = 0.0021598 k( 112) = ( 0.4507042 0.4507042 -0.0000000), wk = 0.0021598 k( 113) = ( 0.4436620 0.4436620 -0.0000000), wk = 0.0021598 k( 114) = ( 0.4366197 0.4366197 -0.0000000), wk = 0.0021598 k( 115) = ( 0.4295775 0.4295775 -0.0000000), wk = 0.0021598 k( 116) = ( 0.4225352 0.4225352 -0.0000000), wk = 0.0021598 k( 117) = ( 0.4154930 0.4154930 -0.0000000), wk = 0.0021598 k( 118) = ( 0.4084507 0.4084507 -0.0000000), wk = 0.0021598 k( 119) = ( 0.4014085 0.4014084 -0.0000000), wk = 0.0021598 k( 120) = ( 0.3943662 0.3943662 -0.0000000), wk = 0.0021598 k( 121) = ( 0.3873239 0.3873239 -0.0000000), wk = 0.0021598 k( 122) = ( 0.3802817 0.3802817 -0.0000000), wk = 0.0021598 k( 123) = ( 0.3732394 0.3732394 -0.0000000), wk = 0.0021598 k( 124) = ( 0.3661972 0.3661972 -0.0000000), wk = 0.0021598 k( 125) = ( 0.3591549 0.3591549 -0.0000000), wk = 0.0021598 k( 126) = ( 0.3521127 0.3521127 -0.0000000), wk = 0.0021598 k( 127) = ( 0.3450704 0.3450704 -0.0000000), wk = 0.0021598 k( 128) = ( 0.3380282 0.3380282 -0.0000000), wk = 0.0021598 k( 129) = ( 0.3309859 0.3309859 -0.0000000), wk = 0.0021598 k( 130) = ( 0.3239437 0.3239437 -0.0000000), wk = 0.0021598 k( 131) = ( 0.3169014 0.3169014 -0.0000000), wk = 0.0021598 k( 132) = ( 0.3098592 0.3098591 -0.0000000), wk = 0.0021598 k( 133) = ( 0.3028169 0.3028169 -0.0000000), wk = 0.0021598 k( 134) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0021598 k( 135) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0021598 k( 136) = ( 0.2816901 0.2816901 -0.0000000), wk = 0.0021598 k( 137) = ( 0.2746479 0.2746479 -0.0000000), wk = 0.0021598 k( 138) = ( 0.2676056 0.2676056 -0.0000000), wk = 0.0021598 k( 139) = ( 0.2605634 0.2605634 -0.0000000), wk = 0.0021598 k( 140) = ( 0.2535211 0.2535211 -0.0000000), wk = 0.0021598 k( 141) = ( 0.2464789 0.2464789 -0.0000000), wk = 0.0021598 k( 142) = ( 0.2394366 0.2394366 -0.0000000), wk = 0.0021598 k( 143) = ( 0.2323944 0.2323944 -0.0000000), wk = 0.0021598 k( 144) = ( 0.2253521 0.2253521 -0.0000000), wk = 0.0021598 k( 145) = ( 0.2183099 0.2183099 -0.0000000), wk = 0.0021598 k( 146) = ( 0.2112676 0.2112676 -0.0000000), wk = 0.0021598 k( 147) = ( 0.2042253 0.2042253 -0.0000000), wk = 0.0021598 k( 148) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0021598 k( 149) = ( 0.1901409 0.1901408 -0.0000000), wk = 0.0021598 k( 150) = ( 0.1830986 0.1830986 -0.0000000), wk = 0.0021598 k( 151) = ( 0.1760563 0.1760563 -0.0000000), wk = 0.0021598 k( 152) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0021598 k( 153) = ( 0.1619718 0.1619718 -0.0000000), wk = 0.0021598 k( 154) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0021598 k( 155) = ( 0.1478873 0.1478873 -0.0000000), wk = 0.0021598 k( 156) = ( 0.1408451 0.1408451 -0.0000000), wk = 0.0021598 k( 157) = ( 0.1338028 0.1338028 -0.0000000), wk = 0.0021598 k( 158) = ( 0.1267606 0.1267606 -0.0000000), wk = 0.0021598 k( 159) = ( 0.1197183 0.1197183 -0.0000000), wk = 0.0021598 k( 160) = ( 0.1126761 0.1126761 -0.0000000), wk = 0.0021598 k( 161) = ( 0.1056338 0.1056338 -0.0000000), wk = 0.0021598 k( 162) = ( 0.0985916 0.0985915 -0.0000000), wk = 0.0021598 k( 163) = ( 0.0915493 0.0915493 -0.0000000), wk = 0.0021598 k( 164) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0021598 k( 165) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0021598 k( 166) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0021598 k( 167) = ( 0.0633803 0.0633803 -0.0000000), wk = 0.0021598 k( 168) = ( 0.0563380 0.0563380 -0.0000000), wk = 0.0021598 k( 169) = ( 0.0492958 0.0492958 -0.0000000), wk = 0.0021598 k( 170) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0021598 k( 171) = ( 0.0352113 0.0352113 -0.0000000), wk = 0.0021598 k( 172) = ( 0.0281690 0.0281690 -0.0000000), wk = 0.0021598 k( 173) = ( 0.0211268 0.0211268 -0.0000000), wk = 0.0021598 k( 174) = ( 0.0140845 0.0140845 -0.0000000), wk = 0.0021598 k( 175) = ( 0.0070422 0.0070422 -0.0000000), wk = 0.0021598 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598 k( 178) = ( 0.0000000 0.0000000 0.0098209), wk = 0.0021598 k( 179) = ( 0.0000000 0.0000000 0.0196419), wk = 0.0021598 k( 180) = ( 0.0000000 0.0000000 0.0294628), wk = 0.0021598 k( 181) = ( 0.0000000 0.0000000 0.0392837), wk = 0.0021598 k( 182) = ( 0.0000000 0.0000000 0.0491046), wk = 0.0021598 k( 183) = ( 0.0000000 0.0000000 0.0589256), wk = 0.0021598 k( 184) = ( 0.0000000 0.0000000 0.0687465), wk = 0.0021598 k( 185) = ( 0.0000000 0.0000000 0.0785674), wk = 0.0021598 k( 186) = ( 0.0000000 0.0000000 0.0883883), wk = 0.0021598 k( 187) = ( 0.0000000 0.0000000 0.0982093), wk = 0.0021598 k( 188) = ( 0.0000000 0.0000000 0.1080302), wk = 0.0021598 k( 189) = ( 0.0000000 0.0000000 0.1178511), wk = 0.0021598 k( 190) = ( 0.0000000 0.0000000 0.1276721), wk = 0.0021598 k( 191) = ( 0.0000000 0.0000000 0.1374930), wk = 0.0021598 k( 192) = ( 0.0000000 0.0000000 0.1473139), wk = 0.0021598 k( 193) = ( 0.0000000 0.0000000 0.1571348), wk = 0.0021598 k( 194) = ( 0.0000000 0.0000000 0.1669558), wk = 0.0021598 k( 195) = ( 0.0000000 0.0000000 0.1767767), wk = 0.0021598 k( 196) = ( 0.0000000 0.0000000 0.1865976), wk = 0.0021598 k( 197) = ( 0.0000000 0.0000000 0.1964186), wk = 0.0021598 k( 198) = ( 0.0000000 0.0000000 0.2062395), wk = 0.0021598 k( 199) = ( 0.0000000 0.0000000 0.2160604), wk = 0.0021598 k( 200) = ( 0.0000000 0.0000000 0.2258813), wk = 0.0021598 k( 201) = ( 0.0000000 0.0000000 0.2357023), wk = 0.0021598 k( 202) = ( 0.0000000 0.0000000 0.2455232), wk = 0.0021598 k( 203) = ( 0.0000000 0.0000000 0.2553441), wk = 0.0021598 k( 204) = ( 0.0000000 0.0000000 0.2651650), wk = 0.0021598 k( 205) = ( 0.0000000 0.0000000 0.2749860), wk = 0.0021598 k( 206) = ( 0.0000000 0.0000000 0.2848069), wk = 0.0021598 k( 207) = ( 0.0000000 0.0000000 0.2946278), wk = 0.0021598 k( 208) = ( 0.0000000 0.0000000 0.3044488), wk = 0.0021598 k( 209) = ( 0.0000000 0.0000000 0.3142697), wk = 0.0021598 k( 210) = ( 0.0000000 0.0000000 0.3240906), wk = 0.0021598 k( 211) = ( 0.0000000 0.0000000 0.3339115), wk = 0.0021598 k( 212) = ( 0.0000000 0.0000000 0.3437325), wk = 0.0021598 k( 213) = ( 0.0000000 0.0000000 0.3535534), wk = 0.0021598 k( 214) = ( 0.0000000 0.0000000 0.3535534), wk = 0.0021598 k( 215) = ( 0.0000000 0.0098039 0.3535534), wk = 0.0021598 k( 216) = ( 0.0000000 0.0196078 0.3535534), wk = 0.0021598 k( 217) = ( 0.0000000 0.0294118 0.3535534), wk = 0.0021598 k( 218) = ( 0.0000000 0.0392157 0.3535534), wk = 0.0021598 k( 219) = ( 0.0000000 0.0490196 0.3535534), wk = 0.0021598 k( 220) = ( 0.0000000 0.0588235 0.3535534), wk = 0.0021598 k( 221) = ( 0.0000000 0.0686275 0.3535534), wk = 0.0021598 k( 222) = ( 0.0000000 0.0784314 0.3535534), wk = 0.0021598 k( 223) = ( 0.0000000 0.0882353 0.3535534), wk = 0.0021598 k( 224) = ( 0.0000000 0.0980392 0.3535534), wk = 0.0021598 k( 225) = ( 0.0000000 0.1078431 0.3535534), wk = 0.0021598 k( 226) = ( 0.0000000 0.1176471 0.3535534), wk = 0.0021598 k( 227) = ( 0.0000000 0.1274510 0.3535534), wk = 0.0021598 k( 228) = ( 0.0000000 0.1372549 0.3535534), wk = 0.0021598 k( 229) = ( 0.0000000 0.1470588 0.3535534), wk = 0.0021598 k( 230) = ( 0.0000000 0.1568627 0.3535534), wk = 0.0021598 k( 231) = ( 0.0000000 0.1666667 0.3535534), wk = 0.0021598 k( 232) = ( 0.0000000 0.1764706 0.3535534), wk = 0.0021598 k( 233) = ( 0.0000000 0.1862745 0.3535534), wk = 0.0021598 k( 234) = ( 0.0000000 0.1960784 0.3535534), wk = 0.0021598 k( 235) = ( 0.0000000 0.2058823 0.3535534), wk = 0.0021598 k( 236) = ( 0.0000000 0.2156863 0.3535534), wk = 0.0021598 k( 237) = ( 0.0000000 0.2254902 0.3535534), wk = 0.0021598 k( 238) = ( 0.0000000 0.2352941 0.3535534), wk = 0.0021598 k( 239) = ( 0.0000000 0.2450980 0.3535534), wk = 0.0021598 k( 240) = ( 0.0000000 0.2549020 0.3535534), wk = 0.0021598 k( 241) = ( 0.0000000 0.2647059 0.3535534), wk = 0.0021598 k( 242) = ( 0.0000000 0.2745098 0.3535534), wk = 0.0021598 k( 243) = ( 0.0000000 0.2843137 0.3535534), wk = 0.0021598 k( 244) = ( 0.0000000 0.2941177 0.3535534), wk = 0.0021598 k( 245) = ( 0.0000000 0.3039216 0.3535534), wk = 0.0021598 k( 246) = ( 0.0000000 0.3137255 0.3535534), wk = 0.0021598 k( 247) = ( 0.0000000 0.3235294 0.3535534), wk = 0.0021598 k( 248) = ( 0.0000000 0.3333333 0.3535534), wk = 0.0021598 k( 249) = ( 0.0000000 0.3431373 0.3535534), wk = 0.0021598 k( 250) = ( 0.0000000 0.3529412 0.3535534), wk = 0.0021598 k( 251) = ( 0.0000000 0.3627451 0.3535534), wk = 0.0021598 k( 252) = ( 0.0000000 0.3725490 0.3535534), wk = 0.0021598 k( 253) = ( 0.0000000 0.3823529 0.3535534), wk = 0.0021598 k( 254) = ( 0.0000000 0.3921569 0.3535534), wk = 0.0021598 k( 255) = ( 0.0000000 0.4019608 0.3535534), wk = 0.0021598 k( 256) = ( 0.0000000 0.4117647 0.3535534), wk = 0.0021598 k( 257) = ( 0.0000000 0.4215686 0.3535534), wk = 0.0021598 k( 258) = ( 0.0000000 0.4313726 0.3535534), wk = 0.0021598 k( 259) = ( 0.0000000 0.4411765 0.3535534), wk = 0.0021598 k( 260) = ( 0.0000000 0.4509804 0.3535534), wk = 0.0021598 k( 261) = ( 0.0000000 0.4607843 0.3535534), wk = 0.0021598 k( 262) = ( 0.0000000 0.4705882 0.3535534), wk = 0.0021598 k( 263) = ( 0.0000000 0.4803922 0.3535534), wk = 0.0021598 k( 264) = ( 0.0000000 0.4901961 0.3535534), wk = 0.0021598 k( 265) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0021598 k( 266) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0021598 k( 267) = ( 0.0098039 0.5000000 0.3535534), wk = 0.0021598 k( 268) = ( 0.0196078 0.5000000 0.3535534), wk = 0.0021598 k( 269) = ( 0.0294118 0.5000000 0.3535534), wk = 0.0021598 k( 270) = ( 0.0392157 0.5000000 0.3535534), wk = 0.0021598 k( 271) = ( 0.0490196 0.5000000 0.3535534), wk = 0.0021598 k( 272) = ( 0.0588235 0.5000000 0.3535534), wk = 0.0021598 k( 273) = ( 0.0686275 0.5000000 0.3535534), wk = 0.0021598 k( 274) = ( 0.0784314 0.5000000 0.3535534), wk = 0.0021598 k( 275) = ( 0.0882353 0.5000000 0.3535534), wk = 0.0021598 k( 276) = ( 0.0980392 0.5000000 0.3535534), wk = 0.0021598 k( 277) = ( 0.1078431 0.5000000 0.3535534), wk = 0.0021598 k( 278) = ( 0.1176471 0.5000000 0.3535534), wk = 0.0021598 k( 279) = ( 0.1274510 0.5000000 0.3535534), wk = 0.0021598 k( 280) = ( 0.1372549 0.5000000 0.3535534), wk = 0.0021598 k( 281) = ( 0.1470588 0.5000000 0.3535534), wk = 0.0021598 k( 282) = ( 0.1568627 0.5000000 0.3535534), wk = 0.0021598 k( 283) = ( 0.1666667 0.5000000 0.3535534), wk = 0.0021598 k( 284) = ( 0.1764706 0.5000000 0.3535534), wk = 0.0021598 k( 285) = ( 0.1862745 0.5000000 0.3535534), wk = 0.0021598 k( 286) = ( 0.1960784 0.5000000 0.3535534), wk = 0.0021598 k( 287) = ( 0.2058823 0.5000000 0.3535534), wk = 0.0021598 k( 288) = ( 0.2156863 0.5000000 0.3535534), wk = 0.0021598 k( 289) = ( 0.2254902 0.5000000 0.3535534), wk = 0.0021598 k( 290) = ( 0.2352941 0.5000000 0.3535534), wk = 0.0021598 k( 291) = ( 0.2450980 0.5000000 0.3535534), wk = 0.0021598 k( 292) = ( 0.2549020 0.5000000 0.3535534), wk = 0.0021598 k( 293) = ( 0.2647059 0.5000000 0.3535534), wk = 0.0021598 k( 294) = ( 0.2745098 0.5000000 0.3535534), wk = 0.0021598 k( 295) = ( 0.2843137 0.5000000 0.3535534), wk = 0.0021598 k( 296) = ( 0.2941177 0.5000000 0.3535534), wk = 0.0021598 k( 297) = ( 0.3039216 0.5000000 0.3535534), wk = 0.0021598 k( 298) = ( 0.3137255 0.5000000 0.3535534), wk = 0.0021598 k( 299) = ( 0.3235294 0.5000000 0.3535534), wk = 0.0021598 k( 300) = ( 0.3333333 0.5000000 0.3535534), wk = 0.0021598 k( 301) = ( 0.3431373 0.5000000 0.3535534), wk = 0.0021598 k( 302) = ( 0.3529412 0.5000000 0.3535534), wk = 0.0021598 k( 303) = ( 0.3627451 0.5000000 0.3535534), wk = 0.0021598 k( 304) = ( 0.3725490 0.5000000 0.3535534), wk = 0.0021598 k( 305) = ( 0.3823529 0.5000000 0.3535534), wk = 0.0021598 k( 306) = ( 0.3921569 0.5000000 0.3535534), wk = 0.0021598 k( 307) = ( 0.4019608 0.5000000 0.3535534), wk = 0.0021598 k( 308) = ( 0.4117647 0.5000000 0.3535534), wk = 0.0021598 k( 309) = ( 0.4215686 0.5000000 0.3535534), wk = 0.0021598 k( 310) = ( 0.4313726 0.5000000 0.3535534), wk = 0.0021598 k( 311) = ( 0.4411765 0.5000000 0.3535534), wk = 0.0021598 k( 312) = ( 0.4509804 0.5000000 0.3535534), wk = 0.0021598 k( 313) = ( 0.4607843 0.5000000 0.3535534), wk = 0.0021598 k( 314) = ( 0.4705882 0.5000000 0.3535534), wk = 0.0021598 k( 315) = ( 0.4803922 0.5000000 0.3535534), wk = 0.0021598 k( 316) = ( 0.4901961 0.5000000 0.3535534), wk = 0.0021598 k( 317) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0021598 k( 318) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0021598 k( 319) = ( 0.4929577 0.4929577 0.3535534), wk = 0.0021598 k( 320) = ( 0.4859155 0.4859155 0.3535534), wk = 0.0021598 k( 321) = ( 0.4788732 0.4788732 0.3535534), wk = 0.0021598 k( 322) = ( 0.4718310 0.4718310 0.3535534), wk = 0.0021598 k( 323) = ( 0.4647887 0.4647887 0.3535534), wk = 0.0021598 k( 324) = ( 0.4577465 0.4577465 0.3535534), wk = 0.0021598 k( 325) = ( 0.4507042 0.4507042 0.3535534), wk = 0.0021598 k( 326) = ( 0.4436620 0.4436620 0.3535534), wk = 0.0021598 k( 327) = ( 0.4366197 0.4366197 0.3535534), wk = 0.0021598 k( 328) = ( 0.4295775 0.4295775 0.3535534), wk = 0.0021598 k( 329) = ( 0.4225352 0.4225352 0.3535534), wk = 0.0021598 k( 330) = ( 0.4154930 0.4154930 0.3535534), wk = 0.0021598 k( 331) = ( 0.4084507 0.4084507 0.3535534), wk = 0.0021598 k( 332) = ( 0.4014085 0.4014084 0.3535534), wk = 0.0021598 k( 333) = ( 0.3943662 0.3943662 0.3535534), wk = 0.0021598 k( 334) = ( 0.3873239 0.3873239 0.3535534), wk = 0.0021598 k( 335) = ( 0.3802817 0.3802817 0.3535534), wk = 0.0021598 k( 336) = ( 0.3732394 0.3732394 0.3535534), wk = 0.0021598 k( 337) = ( 0.3661972 0.3661972 0.3535534), wk = 0.0021598 k( 338) = ( 0.3591549 0.3591549 0.3535534), wk = 0.0021598 k( 339) = ( 0.3521127 0.3521127 0.3535534), wk = 0.0021598 k( 340) = ( 0.3450704 0.3450704 0.3535534), wk = 0.0021598 k( 341) = ( 0.3380282 0.3380282 0.3535534), wk = 0.0021598 k( 342) = ( 0.3309859 0.3309859 0.3535534), wk = 0.0021598 k( 343) = ( 0.3239437 0.3239437 0.3535534), wk = 0.0021598 k( 344) = ( 0.3169014 0.3169014 0.3535534), wk = 0.0021598 k( 345) = ( 0.3098592 0.3098591 0.3535534), wk = 0.0021598 k( 346) = ( 0.3028169 0.3028169 0.3535534), wk = 0.0021598 k( 347) = ( 0.2957746 0.2957746 0.3535534), wk = 0.0021598 k( 348) = ( 0.2887324 0.2887324 0.3535534), wk = 0.0021598 k( 349) = ( 0.2816901 0.2816901 0.3535534), wk = 0.0021598 k( 350) = ( 0.2746479 0.2746479 0.3535534), wk = 0.0021598 k( 351) = ( 0.2676056 0.2676056 0.3535534), wk = 0.0021598 k( 352) = ( 0.2605634 0.2605634 0.3535534), wk = 0.0021598 k( 353) = ( 0.2535211 0.2535211 0.3535534), wk = 0.0021598 k( 354) = ( 0.2464789 0.2464789 0.3535534), wk = 0.0021598 k( 355) = ( 0.2394366 0.2394366 0.3535534), wk = 0.0021598 k( 356) = ( 0.2323944 0.2323944 0.3535534), wk = 0.0021598 k( 357) = ( 0.2253521 0.2253521 0.3535534), wk = 0.0021598 k( 358) = ( 0.2183099 0.2183099 0.3535534), wk = 0.0021598 k( 359) = ( 0.2112676 0.2112676 0.3535534), wk = 0.0021598 k( 360) = ( 0.2042253 0.2042253 0.3535534), wk = 0.0021598 k( 361) = ( 0.1971831 0.1971831 0.3535534), wk = 0.0021598 k( 362) = ( 0.1901409 0.1901408 0.3535534), wk = 0.0021598 k( 363) = ( 0.1830986 0.1830986 0.3535534), wk = 0.0021598 k( 364) = ( 0.1760563 0.1760563 0.3535534), wk = 0.0021598 k( 365) = ( 0.1690141 0.1690141 0.3535534), wk = 0.0021598 k( 366) = ( 0.1619718 0.1619718 0.3535534), wk = 0.0021598 k( 367) = ( 0.1549296 0.1549296 0.3535534), wk = 0.0021598 k( 368) = ( 0.1478873 0.1478873 0.3535534), wk = 0.0021598 k( 369) = ( 0.1408451 0.1408451 0.3535534), wk = 0.0021598 k( 370) = ( 0.1338028 0.1338028 0.3535534), wk = 0.0021598 k( 371) = ( 0.1267606 0.1267606 0.3535534), wk = 0.0021598 k( 372) = ( 0.1197183 0.1197183 0.3535534), wk = 0.0021598 k( 373) = ( 0.1126761 0.1126761 0.3535534), wk = 0.0021598 k( 374) = ( 0.1056338 0.1056338 0.3535534), wk = 0.0021598 k( 375) = ( 0.0985916 0.0985915 0.3535534), wk = 0.0021598 k( 376) = ( 0.0915493 0.0915493 0.3535534), wk = 0.0021598 k( 377) = ( 0.0845070 0.0845070 0.3535534), wk = 0.0021598 k( 378) = ( 0.0774648 0.0774648 0.3535534), wk = 0.0021598 k( 379) = ( 0.0704225 0.0704225 0.3535534), wk = 0.0021598 k( 380) = ( 0.0633803 0.0633803 0.3535534), wk = 0.0021598 k( 381) = ( 0.0563380 0.0563380 0.3535534), wk = 0.0021598 k( 382) = ( 0.0492958 0.0492958 0.3535534), wk = 0.0021598 k( 383) = ( 0.0422535 0.0422535 0.3535534), wk = 0.0021598 k( 384) = ( 0.0352113 0.0352113 0.3535534), wk = 0.0021598 k( 385) = ( 0.0281690 0.0281690 0.3535534), wk = 0.0021598 k( 386) = ( 0.0211268 0.0211268 0.3535534), wk = 0.0021598 k( 387) = ( 0.0140845 0.0140845 0.3535534), wk = 0.0021598 k( 388) = ( 0.0070422 0.0070422 0.3535534), wk = 0.0021598 k( 389) = ( 0.0000000 0.0000000 0.3535534), wk = 0.0021598 k( 390) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021598 k( 391) = ( 0.0000000 0.5000000 0.0098209), wk = 0.0021598 k( 392) = ( 0.0000000 0.5000000 0.0196419), wk = 0.0021598 k( 393) = ( 0.0000000 0.5000000 0.0294628), wk = 0.0021598 k( 394) = ( 0.0000000 0.5000000 0.0392837), wk = 0.0021598 k( 395) = ( 0.0000000 0.5000000 0.0491046), wk = 0.0021598 k( 396) = ( 0.0000000 0.5000000 0.0589256), wk = 0.0021598 k( 397) = ( 0.0000000 0.5000000 0.0687465), wk = 0.0021598 k( 398) = ( 0.0000000 0.5000000 0.0785674), wk = 0.0021598 k( 399) = ( 0.0000000 0.5000000 0.0883883), wk = 0.0021598 k( 400) = ( 0.0000000 0.5000000 0.0982093), wk = 0.0021598 k( 401) = ( 0.0000000 0.5000000 0.1080302), wk = 0.0021598 k( 402) = ( 0.0000000 0.5000000 0.1178511), wk = 0.0021598 k( 403) = ( 0.0000000 0.5000000 0.1276721), wk = 0.0021598 k( 404) = ( 0.0000000 0.5000000 0.1374930), wk = 0.0021598 k( 405) = ( 0.0000000 0.5000000 0.1473139), wk = 0.0021598 k( 406) = ( 0.0000000 0.5000000 0.1571348), wk = 0.0021598 k( 407) = ( 0.0000000 0.5000000 0.1669558), wk = 0.0021598 k( 408) = ( 0.0000000 0.5000000 0.1767767), wk = 0.0021598 k( 409) = ( 0.0000000 0.5000000 0.1865976), wk = 0.0021598 k( 410) = ( 0.0000000 0.5000000 0.1964186), wk = 0.0021598 k( 411) = ( 0.0000000 0.5000000 0.2062395), wk = 0.0021598 k( 412) = ( 0.0000000 0.5000000 0.2160604), wk = 0.0021598 k( 413) = ( 0.0000000 0.5000000 0.2258813), wk = 0.0021598 k( 414) = ( 0.0000000 0.5000000 0.2357023), wk = 0.0021598 k( 415) = ( 0.0000000 0.5000000 0.2455232), wk = 0.0021598 k( 416) = ( 0.0000000 0.5000000 0.2553441), wk = 0.0021598 k( 417) = ( 0.0000000 0.5000000 0.2651650), wk = 0.0021598 k( 418) = ( 0.0000000 0.5000000 0.2749860), wk = 0.0021598 k( 419) = ( 0.0000000 0.5000000 0.2848069), wk = 0.0021598 k( 420) = ( 0.0000000 0.5000000 0.2946278), wk = 0.0021598 k( 421) = ( 0.0000000 0.5000000 0.3044488), wk = 0.0021598 k( 422) = ( 0.0000000 0.5000000 0.3142697), wk = 0.0021598 k( 423) = ( 0.0000000 0.5000000 0.3240906), wk = 0.0021598 k( 424) = ( 0.0000000 0.5000000 0.3339115), wk = 0.0021598 k( 425) = ( 0.0000000 0.5000000 0.3437325), wk = 0.0021598 k( 426) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0021598 k( 427) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021598 k( 428) = ( 0.5000000 0.5000000 0.0098209), wk = 0.0021598 k( 429) = ( 0.5000000 0.5000000 0.0196419), wk = 0.0021598 k( 430) = ( 0.5000000 0.5000000 0.0294628), wk = 0.0021598 k( 431) = ( 0.5000000 0.5000000 0.0392837), wk = 0.0021598 k( 432) = ( 0.5000000 0.5000000 0.0491046), wk = 0.0021598 k( 433) = ( 0.5000000 0.5000000 0.0589256), wk = 0.0021598 k( 434) = ( 0.5000000 0.5000000 0.0687465), wk = 0.0021598 k( 435) = ( 0.5000000 0.5000000 0.0785674), wk = 0.0021598 k( 436) = ( 0.5000000 0.5000000 0.0883883), wk = 0.0021598 k( 437) = ( 0.5000000 0.5000000 0.0982093), wk = 0.0021598 k( 438) = ( 0.5000000 0.5000000 0.1080302), wk = 0.0021598 k( 439) = ( 0.5000000 0.5000000 0.1178511), wk = 0.0021598 k( 440) = ( 0.5000000 0.5000000 0.1276721), wk = 0.0021598 k( 441) = ( 0.5000000 0.5000000 0.1374930), wk = 0.0021598 k( 442) = ( 0.5000000 0.5000000 0.1473139), wk = 0.0021598 k( 443) = ( 0.5000000 0.5000000 0.1571348), wk = 0.0021598 k( 444) = ( 0.5000000 0.5000000 0.1669558), wk = 0.0021598 k( 445) = ( 0.5000000 0.5000000 0.1767767), wk = 0.0021598 k( 446) = ( 0.5000000 0.5000000 0.1865976), wk = 0.0021598 k( 447) = ( 0.5000000 0.5000000 0.1964186), wk = 0.0021598 k( 448) = ( 0.5000000 0.5000000 0.2062395), wk = 0.0021598 k( 449) = ( 0.5000000 0.5000000 0.2160604), wk = 0.0021598 k( 450) = ( 0.5000000 0.5000000 0.2258813), wk = 0.0021598 k( 451) = ( 0.5000000 0.5000000 0.2357023), wk = 0.0021598 k( 452) = ( 0.5000000 0.5000000 0.2455232), wk = 0.0021598 k( 453) = ( 0.5000000 0.5000000 0.2553441), wk = 0.0021598 k( 454) = ( 0.5000000 0.5000000 0.2651650), wk = 0.0021598 k( 455) = ( 0.5000000 0.5000000 0.2749860), wk = 0.0021598 k( 456) = ( 0.5000000 0.5000000 0.2848069), wk = 0.0021598 k( 457) = ( 0.5000000 0.5000000 0.2946278), wk = 0.0021598 k( 458) = ( 0.5000000 0.5000000 0.3044488), wk = 0.0021598 k( 459) = ( 0.5000000 0.5000000 0.3142697), wk = 0.0021598 k( 460) = ( 0.5000000 0.5000000 0.3240906), wk = 0.0021598 k( 461) = ( 0.5000000 0.5000000 0.3339115), wk = 0.0021598 k( 462) = ( 0.5000000 0.5000000 0.3437325), wk = 0.0021598 k( 463) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0021598 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598 k( 2) = ( 0.0000000 0.0098039 -0.0000000), wk = 0.0021598 k( 3) = ( 0.0000000 0.0196078 -0.0000000), wk = 0.0021598 k( 4) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0021598 k( 5) = ( 0.0000000 0.0392157 0.0000000), wk = 0.0021598 k( 6) = ( 0.0000000 0.0490196 0.0000000), wk = 0.0021598 k( 7) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0021598 k( 8) = ( 0.0000000 0.0686275 0.0000000), wk = 0.0021598 k( 9) = ( 0.0000000 0.0784314 0.0000000), wk = 0.0021598 k( 10) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0021598 k( 11) = ( 0.0000000 0.0980392 0.0000000), wk = 0.0021598 k( 12) = ( 0.0000000 0.1078431 0.0000000), wk = 0.0021598 k( 13) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0021598 k( 14) = ( 0.0000000 0.1274510 -0.0000000), wk = 0.0021598 k( 15) = ( 0.0000000 0.1372549 0.0000000), wk = 0.0021598 k( 16) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0021598 k( 17) = ( 0.0000000 0.1568627 0.0000000), wk = 0.0021598 k( 18) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0021598 k( 19) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0021598 k( 20) = ( 0.0000000 0.1862745 -0.0000000), wk = 0.0021598 k( 21) = ( 0.0000000 0.1960784 0.0000000), wk = 0.0021598 k( 22) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0021598 k( 23) = ( 0.0000000 0.2156863 0.0000000), wk = 0.0021598 k( 24) = ( 0.0000000 0.2254902 0.0000000), wk = 0.0021598 k( 25) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0021598 k( 26) = ( 0.0000000 0.2450980 -0.0000000), wk = 0.0021598 k( 27) = ( 0.0000000 0.2549020 -0.0000000), wk = 0.0021598 k( 28) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0021598 k( 29) = ( 0.0000000 0.2745098 0.0000000), wk = 0.0021598 k( 30) = ( 0.0000000 0.2843137 0.0000000), wk = 0.0021598 k( 31) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0021598 k( 32) = ( 0.0000000 0.3039216 0.0000000), wk = 0.0021598 k( 33) = ( 0.0000000 0.3137255 -0.0000000), wk = 0.0021598 k( 34) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0021598 k( 35) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0021598 k( 36) = ( 0.0000000 0.3431373 0.0000000), wk = 0.0021598 k( 37) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0021598 k( 38) = ( 0.0000000 0.3627451 0.0000000), wk = 0.0021598 k( 39) = ( 0.0000000 0.3725490 -0.0000000), wk = 0.0021598 k( 40) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0021598 k( 41) = ( 0.0000000 0.3921569 0.0000000), wk = 0.0021598 k( 42) = ( 0.0000000 0.4019608 0.0000000), wk = 0.0021598 k( 43) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0021598 k( 44) = ( 0.0000000 0.4215686 0.0000000), wk = 0.0021598 k( 45) = ( 0.0000000 0.4313726 0.0000000), wk = 0.0021598 k( 46) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0021598 k( 47) = ( 0.0000000 0.4509804 0.0000000), wk = 0.0021598 k( 48) = ( 0.0000000 0.4607843 0.0000000), wk = 0.0021598 k( 49) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0021598 k( 50) = ( 0.0000000 0.4803922 0.0000000), wk = 0.0021598 k( 51) = ( 0.0000000 0.4901961 -0.0000000), wk = 0.0021598 k( 52) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021598 k( 53) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021598 k( 54) = ( 0.0098039 0.5000000 0.0000000), wk = 0.0021598 k( 55) = ( 0.0196078 0.5000000 0.0000000), wk = 0.0021598 k( 56) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0021598 k( 57) = ( 0.0392157 0.5000000 0.0000000), wk = 0.0021598 k( 58) = ( 0.0490196 0.5000000 0.0000000), wk = 0.0021598 k( 59) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0021598 k( 60) = ( 0.0686275 0.5000000 0.0000000), wk = 0.0021598 k( 61) = ( 0.0784314 0.5000000 0.0000000), wk = 0.0021598 k( 62) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0021598 k( 63) = ( 0.0980392 0.5000000 0.0000000), wk = 0.0021598 k( 64) = ( 0.1078431 0.5000000 0.0000000), wk = 0.0021598 k( 65) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0021598 k( 66) = ( 0.1274510 0.5000000 0.0000000), wk = 0.0021598 k( 67) = ( 0.1372549 0.5000000 0.0000000), wk = 0.0021598 k( 68) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0021598 k( 69) = ( 0.1568627 0.5000000 0.0000000), wk = 0.0021598 k( 70) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0021598 k( 71) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0021598 k( 72) = ( 0.1862745 0.5000000 0.0000000), wk = 0.0021598 k( 73) = ( 0.1960784 0.5000000 0.0000000), wk = 0.0021598 k( 74) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0021598 k( 75) = ( 0.2156863 0.5000000 0.0000000), wk = 0.0021598 k( 76) = ( 0.2254902 0.5000000 0.0000000), wk = 0.0021598 k( 77) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0021598 k( 78) = ( 0.2450980 0.5000000 0.0000000), wk = 0.0021598 k( 79) = ( 0.2549020 0.5000000 0.0000000), wk = 0.0021598 k( 80) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0021598 k( 81) = ( 0.2745098 0.5000000 0.0000000), wk = 0.0021598 k( 82) = ( 0.2843137 0.5000000 0.0000000), wk = 0.0021598 k( 83) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0021598 k( 84) = ( 0.3039216 0.5000000 0.0000000), wk = 0.0021598 k( 85) = ( 0.3137255 0.5000000 -0.0000000), wk = 0.0021598 k( 86) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0021598 k( 87) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0021598 k( 88) = ( 0.3431373 0.5000000 0.0000000), wk = 0.0021598 k( 89) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0021598 k( 90) = ( 0.3627451 0.5000000 0.0000000), wk = 0.0021598 k( 91) = ( 0.3725490 0.5000000 0.0000000), wk = 0.0021598 k( 92) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0021598 k( 93) = ( 0.3921569 0.5000000 0.0000000), wk = 0.0021598 k( 94) = ( 0.4019608 0.5000000 -0.0000000), wk = 0.0021598 k( 95) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0021598 k( 96) = ( 0.4215686 0.5000000 0.0000000), wk = 0.0021598 k( 97) = ( 0.4313726 0.5000000 -0.0000000), wk = 0.0021598 k( 98) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0021598 k( 99) = ( 0.4509804 0.5000000 0.0000000), wk = 0.0021598 k( 100) = ( 0.4607843 0.5000000 0.0000000), wk = 0.0021598 k( 101) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0021598 k( 102) = ( 0.4803922 0.5000000 0.0000000), wk = 0.0021598 k( 103) = ( 0.4901961 0.5000000 -0.0000000), wk = 0.0021598 k( 104) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021598 k( 105) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021598 k( 106) = ( 0.4929577 0.4929577 0.0000000), wk = 0.0021598 k( 107) = ( 0.4859155 0.4859155 -0.0000000), wk = 0.0021598 k( 108) = ( 0.4788732 0.4788732 0.0000000), wk = 0.0021598 k( 109) = ( 0.4718310 0.4718310 0.0000000), wk = 0.0021598 k( 110) = ( 0.4647887 0.4647887 0.0000000), wk = 0.0021598 k( 111) = ( 0.4577465 0.4577465 0.0000000), wk = 0.0021598 k( 112) = ( 0.4507042 0.4507042 0.0000000), wk = 0.0021598 k( 113) = ( 0.4436620 0.4436620 -0.0000000), wk = 0.0021598 k( 114) = ( 0.4366197 0.4366197 -0.0000000), wk = 0.0021598 k( 115) = ( 0.4295775 0.4295775 0.0000000), wk = 0.0021598 k( 116) = ( 0.4225352 0.4225352 0.0000000), wk = 0.0021598 k( 117) = ( 0.4154930 0.4154930 0.0000000), wk = 0.0021598 k( 118) = ( 0.4084507 0.4084507 0.0000000), wk = 0.0021598 k( 119) = ( 0.4014085 0.4014085 0.0000000), wk = 0.0021598 k( 120) = ( 0.3943662 0.3943662 -0.0000000), wk = 0.0021598 k( 121) = ( 0.3873239 0.3873239 -0.0000000), wk = 0.0021598 k( 122) = ( 0.3802817 0.3802817 0.0000000), wk = 0.0021598 k( 123) = ( 0.3732394 0.3732394 0.0000000), wk = 0.0021598 k( 124) = ( 0.3661972 0.3661972 0.0000000), wk = 0.0021598 k( 125) = ( 0.3591549 0.3591549 -0.0000000), wk = 0.0021598 k( 126) = ( 0.3521127 0.3521127 -0.0000000), wk = 0.0021598 k( 127) = ( 0.3450704 0.3450704 -0.0000000), wk = 0.0021598 k( 128) = ( 0.3380282 0.3380282 0.0000000), wk = 0.0021598 k( 129) = ( 0.3309859 0.3309859 0.0000000), wk = 0.0021598 k( 130) = ( 0.3239437 0.3239437 0.0000000), wk = 0.0021598 k( 131) = ( 0.3169014 0.3169014 -0.0000000), wk = 0.0021598 k( 132) = ( 0.3098592 0.3098592 0.0000000), wk = 0.0021598 k( 133) = ( 0.3028169 0.3028169 -0.0000000), wk = 0.0021598 k( 134) = ( 0.2957746 0.2957746 0.0000000), wk = 0.0021598 k( 135) = ( 0.2887324 0.2887324 -0.0000000), wk = 0.0021598 k( 136) = ( 0.2816901 0.2816901 0.0000000), wk = 0.0021598 k( 137) = ( 0.2746479 0.2746479 0.0000000), wk = 0.0021598 k( 138) = ( 0.2676056 0.2676056 0.0000000), wk = 0.0021598 k( 139) = ( 0.2605634 0.2605634 0.0000000), wk = 0.0021598 k( 140) = ( 0.2535211 0.2535211 0.0000000), wk = 0.0021598 k( 141) = ( 0.2464789 0.2464789 0.0000000), wk = 0.0021598 k( 142) = ( 0.2394366 0.2394366 0.0000000), wk = 0.0021598 k( 143) = ( 0.2323944 0.2323944 0.0000000), wk = 0.0021598 k( 144) = ( 0.2253521 0.2253521 0.0000000), wk = 0.0021598 k( 145) = ( 0.2183099 0.2183099 -0.0000000), wk = 0.0021598 k( 146) = ( 0.2112676 0.2112676 0.0000000), wk = 0.0021598 k( 147) = ( 0.2042253 0.2042253 0.0000000), wk = 0.0021598 k( 148) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0021598 k( 149) = ( 0.1901409 0.1901409 -0.0000000), wk = 0.0021598 k( 150) = ( 0.1830986 0.1830986 0.0000000), wk = 0.0021598 k( 151) = ( 0.1760563 0.1760563 -0.0000000), wk = 0.0021598 k( 152) = ( 0.1690141 0.1690141 0.0000000), wk = 0.0021598 k( 153) = ( 0.1619718 0.1619718 0.0000000), wk = 0.0021598 k( 154) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0021598 k( 155) = ( 0.1478873 0.1478873 -0.0000000), wk = 0.0021598 k( 156) = ( 0.1408451 0.1408451 0.0000000), wk = 0.0021598 k( 157) = ( 0.1338028 0.1338028 0.0000000), wk = 0.0021598 k( 158) = ( 0.1267606 0.1267606 0.0000000), wk = 0.0021598 k( 159) = ( 0.1197183 0.1197183 0.0000000), wk = 0.0021598 k( 160) = ( 0.1126761 0.1126761 0.0000000), wk = 0.0021598 k( 161) = ( 0.1056338 0.1056338 0.0000000), wk = 0.0021598 k( 162) = ( 0.0985916 0.0985916 -0.0000000), wk = 0.0021598 k( 163) = ( 0.0915493 0.0915493 0.0000000), wk = 0.0021598 k( 164) = ( 0.0845070 0.0845070 0.0000000), wk = 0.0021598 k( 165) = ( 0.0774648 0.0774648 -0.0000000), wk = 0.0021598 k( 166) = ( 0.0704225 0.0704225 0.0000000), wk = 0.0021598 k( 167) = ( 0.0633803 0.0633803 0.0000000), wk = 0.0021598 k( 168) = ( 0.0563380 0.0563380 0.0000000), wk = 0.0021598 k( 169) = ( 0.0492958 0.0492958 0.0000000), wk = 0.0021598 k( 170) = ( 0.0422535 0.0422535 0.0000000), wk = 0.0021598 k( 171) = ( 0.0352113 0.0352113 0.0000000), wk = 0.0021598 k( 172) = ( 0.0281690 0.0281690 0.0000000), wk = 0.0021598 k( 173) = ( 0.0211268 0.0211268 0.0000000), wk = 0.0021598 k( 174) = ( 0.0140845 0.0140845 0.0000000), wk = 0.0021598 k( 175) = ( 0.0070422 0.0070422 0.0000000), wk = 0.0021598 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021598 k( 178) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0021598 k( 179) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0021598 k( 180) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0021598 k( 181) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0021598 k( 182) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0021598 k( 183) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0021598 k( 184) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0021598 k( 185) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0021598 k( 186) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021598 k( 187) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0021598 k( 188) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0021598 k( 189) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021598 k( 190) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0021598 k( 191) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0021598 k( 192) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0021598 k( 193) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0021598 k( 194) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0021598 k( 195) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021598 k( 196) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0021598 k( 197) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0021598 k( 198) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0021598 k( 199) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0021598 k( 200) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0021598 k( 201) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021598 k( 202) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0021598 k( 203) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0021598 k( 204) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021598 k( 205) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0021598 k( 206) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0021598 k( 207) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0021598 k( 208) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0021598 k( 209) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0021598 k( 210) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0021598 k( 211) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0021598 k( 212) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0021598 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021598 k( 214) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021598 k( 215) = ( 0.0000000 0.0098039 0.5000000), wk = 0.0021598 k( 216) = ( 0.0000000 0.0196078 0.5000000), wk = 0.0021598 k( 217) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0021598 k( 218) = ( 0.0000000 0.0392157 0.5000000), wk = 0.0021598 k( 219) = ( 0.0000000 0.0490196 0.5000000), wk = 0.0021598 k( 220) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0021598 k( 221) = ( 0.0000000 0.0686275 0.5000000), wk = 0.0021598 k( 222) = ( 0.0000000 0.0784314 0.5000000), wk = 0.0021598 k( 223) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0021598 k( 224) = ( 0.0000000 0.0980392 0.5000000), wk = 0.0021598 k( 225) = ( 0.0000000 0.1078431 0.5000000), wk = 0.0021598 k( 226) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0021598 k( 227) = ( 0.0000000 0.1274510 0.5000000), wk = 0.0021598 k( 228) = ( 0.0000000 0.1372549 0.5000000), wk = 0.0021598 k( 229) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0021598 k( 230) = ( 0.0000000 0.1568627 0.5000000), wk = 0.0021598 k( 231) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0021598 k( 232) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0021598 k( 233) = ( 0.0000000 0.1862745 0.5000000), wk = 0.0021598 k( 234) = ( 0.0000000 0.1960784 0.5000000), wk = 0.0021598 k( 235) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0021598 k( 236) = ( 0.0000000 0.2156863 0.5000000), wk = 0.0021598 k( 237) = ( 0.0000000 0.2254902 0.5000000), wk = 0.0021598 k( 238) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0021598 k( 239) = ( 0.0000000 0.2450980 0.5000000), wk = 0.0021598 k( 240) = ( 0.0000000 0.2549020 0.5000000), wk = 0.0021598 k( 241) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0021598 k( 242) = ( 0.0000000 0.2745098 0.5000000), wk = 0.0021598 k( 243) = ( 0.0000000 0.2843137 0.5000000), wk = 0.0021598 k( 244) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0021598 k( 245) = ( 0.0000000 0.3039216 0.5000000), wk = 0.0021598 k( 246) = ( 0.0000000 0.3137255 0.5000000), wk = 0.0021598 k( 247) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0021598 k( 248) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0021598 k( 249) = ( 0.0000000 0.3431373 0.5000000), wk = 0.0021598 k( 250) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0021598 k( 251) = ( 0.0000000 0.3627451 0.5000000), wk = 0.0021598 k( 252) = ( 0.0000000 0.3725490 0.5000000), wk = 0.0021598 k( 253) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0021598 k( 254) = ( 0.0000000 0.3921569 0.5000000), wk = 0.0021598 k( 255) = ( 0.0000000 0.4019608 0.5000000), wk = 0.0021598 k( 256) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0021598 k( 257) = ( 0.0000000 0.4215686 0.5000000), wk = 0.0021598 k( 258) = ( 0.0000000 0.4313726 0.5000000), wk = 0.0021598 k( 259) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0021598 k( 260) = ( 0.0000000 0.4509804 0.5000000), wk = 0.0021598 k( 261) = ( 0.0000000 0.4607843 0.5000000), wk = 0.0021598 k( 262) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0021598 k( 263) = ( 0.0000000 0.4803922 0.5000000), wk = 0.0021598 k( 264) = ( 0.0000000 0.4901961 0.5000000), wk = 0.0021598 k( 265) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021598 k( 266) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021598 k( 267) = ( 0.0098039 0.5000000 0.5000000), wk = 0.0021598 k( 268) = ( 0.0196078 0.5000000 0.5000000), wk = 0.0021598 k( 269) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0021598 k( 270) = ( 0.0392157 0.5000000 0.5000000), wk = 0.0021598 k( 271) = ( 0.0490196 0.5000000 0.5000000), wk = 0.0021598 k( 272) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0021598 k( 273) = ( 0.0686275 0.5000000 0.5000000), wk = 0.0021598 k( 274) = ( 0.0784314 0.5000000 0.5000000), wk = 0.0021598 k( 275) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0021598 k( 276) = ( 0.0980392 0.5000000 0.5000000), wk = 0.0021598 k( 277) = ( 0.1078431 0.5000000 0.5000000), wk = 0.0021598 k( 278) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0021598 k( 279) = ( 0.1274510 0.5000000 0.5000000), wk = 0.0021598 k( 280) = ( 0.1372549 0.5000000 0.5000000), wk = 0.0021598 k( 281) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0021598 k( 282) = ( 0.1568627 0.5000000 0.5000000), wk = 0.0021598 k( 283) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0021598 k( 284) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0021598 k( 285) = ( 0.1862745 0.5000000 0.5000000), wk = 0.0021598 k( 286) = ( 0.1960784 0.5000000 0.5000000), wk = 0.0021598 k( 287) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0021598 k( 288) = ( 0.2156863 0.5000000 0.5000000), wk = 0.0021598 k( 289) = ( 0.2254902 0.5000000 0.5000000), wk = 0.0021598 k( 290) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0021598 k( 291) = ( 0.2450980 0.5000000 0.5000000), wk = 0.0021598 k( 292) = ( 0.2549020 0.5000000 0.5000000), wk = 0.0021598 k( 293) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0021598 k( 294) = ( 0.2745098 0.5000000 0.5000000), wk = 0.0021598 k( 295) = ( 0.2843137 0.5000000 0.5000000), wk = 0.0021598 k( 296) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0021598 k( 297) = ( 0.3039216 0.5000000 0.5000000), wk = 0.0021598 k( 298) = ( 0.3137255 0.5000000 0.5000000), wk = 0.0021598 k( 299) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0021598 k( 300) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0021598 k( 301) = ( 0.3431373 0.5000000 0.5000000), wk = 0.0021598 k( 302) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0021598 k( 303) = ( 0.3627451 0.5000000 0.5000000), wk = 0.0021598 k( 304) = ( 0.3725490 0.5000000 0.5000000), wk = 0.0021598 k( 305) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0021598 k( 306) = ( 0.3921569 0.5000000 0.5000000), wk = 0.0021598 k( 307) = ( 0.4019608 0.5000000 0.5000000), wk = 0.0021598 k( 308) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0021598 k( 309) = ( 0.4215686 0.5000000 0.5000000), wk = 0.0021598 k( 310) = ( 0.4313726 0.5000000 0.5000000), wk = 0.0021598 k( 311) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0021598 k( 312) = ( 0.4509804 0.5000000 0.5000000), wk = 0.0021598 k( 313) = ( 0.4607843 0.5000000 0.5000000), wk = 0.0021598 k( 314) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0021598 k( 315) = ( 0.4803922 0.5000000 0.5000000), wk = 0.0021598 k( 316) = ( 0.4901961 0.5000000 0.5000000), wk = 0.0021598 k( 317) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021598 k( 318) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021598 k( 319) = ( 0.4929577 0.4929577 0.5000000), wk = 0.0021598 k( 320) = ( 0.4859155 0.4859155 0.5000000), wk = 0.0021598 k( 321) = ( 0.4788732 0.4788732 0.5000000), wk = 0.0021598 k( 322) = ( 0.4718310 0.4718310 0.5000000), wk = 0.0021598 k( 323) = ( 0.4647887 0.4647887 0.5000000), wk = 0.0021598 k( 324) = ( 0.4577465 0.4577465 0.5000000), wk = 0.0021598 k( 325) = ( 0.4507042 0.4507042 0.5000000), wk = 0.0021598 k( 326) = ( 0.4436620 0.4436620 0.5000000), wk = 0.0021598 k( 327) = ( 0.4366197 0.4366197 0.5000000), wk = 0.0021598 k( 328) = ( 0.4295775 0.4295775 0.5000000), wk = 0.0021598 k( 329) = ( 0.4225352 0.4225352 0.5000000), wk = 0.0021598 k( 330) = ( 0.4154930 0.4154930 0.5000000), wk = 0.0021598 k( 331) = ( 0.4084507 0.4084507 0.5000000), wk = 0.0021598 k( 332) = ( 0.4014085 0.4014085 0.5000000), wk = 0.0021598 k( 333) = ( 0.3943662 0.3943662 0.5000000), wk = 0.0021598 k( 334) = ( 0.3873239 0.3873239 0.5000000), wk = 0.0021598 k( 335) = ( 0.3802817 0.3802817 0.5000000), wk = 0.0021598 k( 336) = ( 0.3732394 0.3732394 0.5000000), wk = 0.0021598 k( 337) = ( 0.3661972 0.3661972 0.5000000), wk = 0.0021598 k( 338) = ( 0.3591549 0.3591549 0.5000000), wk = 0.0021598 k( 339) = ( 0.3521127 0.3521127 0.5000000), wk = 0.0021598 k( 340) = ( 0.3450704 0.3450704 0.5000000), wk = 0.0021598 k( 341) = ( 0.3380282 0.3380282 0.5000000), wk = 0.0021598 k( 342) = ( 0.3309859 0.3309859 0.5000000), wk = 0.0021598 k( 343) = ( 0.3239437 0.3239437 0.5000000), wk = 0.0021598 k( 344) = ( 0.3169014 0.3169014 0.5000000), wk = 0.0021598 k( 345) = ( 0.3098592 0.3098592 0.5000000), wk = 0.0021598 k( 346) = ( 0.3028169 0.3028169 0.5000000), wk = 0.0021598 k( 347) = ( 0.2957746 0.2957746 0.5000000), wk = 0.0021598 k( 348) = ( 0.2887324 0.2887324 0.5000000), wk = 0.0021598 k( 349) = ( 0.2816901 0.2816901 0.5000000), wk = 0.0021598 k( 350) = ( 0.2746479 0.2746479 0.5000000), wk = 0.0021598 k( 351) = ( 0.2676056 0.2676056 0.5000000), wk = 0.0021598 k( 352) = ( 0.2605634 0.2605634 0.5000000), wk = 0.0021598 k( 353) = ( 0.2535211 0.2535211 0.5000000), wk = 0.0021598 k( 354) = ( 0.2464789 0.2464789 0.5000000), wk = 0.0021598 k( 355) = ( 0.2394366 0.2394366 0.5000000), wk = 0.0021598 k( 356) = ( 0.2323944 0.2323944 0.5000000), wk = 0.0021598 k( 357) = ( 0.2253521 0.2253521 0.5000000), wk = 0.0021598 k( 358) = ( 0.2183099 0.2183099 0.5000000), wk = 0.0021598 k( 359) = ( 0.2112676 0.2112676 0.5000000), wk = 0.0021598 k( 360) = ( 0.2042253 0.2042253 0.5000000), wk = 0.0021598 k( 361) = ( 0.1971831 0.1971831 0.5000000), wk = 0.0021598 k( 362) = ( 0.1901409 0.1901409 0.5000000), wk = 0.0021598 k( 363) = ( 0.1830986 0.1830986 0.5000000), wk = 0.0021598 k( 364) = ( 0.1760563 0.1760563 0.5000000), wk = 0.0021598 k( 365) = ( 0.1690141 0.1690141 0.5000000), wk = 0.0021598 k( 366) = ( 0.1619718 0.1619718 0.5000000), wk = 0.0021598 k( 367) = ( 0.1549296 0.1549296 0.5000000), wk = 0.0021598 k( 368) = ( 0.1478873 0.1478873 0.5000000), wk = 0.0021598 k( 369) = ( 0.1408451 0.1408451 0.5000000), wk = 0.0021598 k( 370) = ( 0.1338028 0.1338028 0.5000000), wk = 0.0021598 k( 371) = ( 0.1267606 0.1267606 0.5000000), wk = 0.0021598 k( 372) = ( 0.1197183 0.1197183 0.5000000), wk = 0.0021598 k( 373) = ( 0.1126761 0.1126761 0.5000000), wk = 0.0021598 k( 374) = ( 0.1056338 0.1056338 0.5000000), wk = 0.0021598 k( 375) = ( 0.0985916 0.0985916 0.5000000), wk = 0.0021598 k( 376) = ( 0.0915493 0.0915493 0.5000000), wk = 0.0021598 k( 377) = ( 0.0845070 0.0845070 0.5000000), wk = 0.0021598 k( 378) = ( 0.0774648 0.0774648 0.5000000), wk = 0.0021598 k( 379) = ( 0.0704225 0.0704225 0.5000000), wk = 0.0021598 k( 380) = ( 0.0633803 0.0633803 0.5000000), wk = 0.0021598 k( 381) = ( 0.0563380 0.0563380 0.5000000), wk = 0.0021598 k( 382) = ( 0.0492958 0.0492958 0.5000000), wk = 0.0021598 k( 383) = ( 0.0422535 0.0422535 0.5000000), wk = 0.0021598 k( 384) = ( 0.0352113 0.0352113 0.5000000), wk = 0.0021598 k( 385) = ( 0.0281690 0.0281690 0.5000000), wk = 0.0021598 k( 386) = ( 0.0211268 0.0211268 0.5000000), wk = 0.0021598 k( 387) = ( 0.0140845 0.0140845 0.5000000), wk = 0.0021598 k( 388) = ( 0.0070422 0.0070422 0.5000000), wk = 0.0021598 k( 389) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021598 k( 390) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021598 k( 391) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0021598 k( 392) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0021598 k( 393) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0021598 k( 394) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0021598 k( 395) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0021598 k( 396) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0021598 k( 397) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0021598 k( 398) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0021598 k( 399) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021598 k( 400) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0021598 k( 401) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0021598 k( 402) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0021598 k( 403) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0021598 k( 404) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0021598 k( 405) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0021598 k( 406) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0021598 k( 407) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0021598 k( 408) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021598 k( 409) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0021598 k( 410) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0021598 k( 411) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0021598 k( 412) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0021598 k( 413) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0021598 k( 414) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0021598 k( 415) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0021598 k( 416) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0021598 k( 417) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021598 k( 418) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0021598 k( 419) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0021598 k( 420) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0021598 k( 421) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0021598 k( 422) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0021598 k( 423) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0021598 k( 424) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0021598 k( 425) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0021598 k( 426) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021598 k( 427) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021598 k( 428) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0021598 k( 429) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0021598 k( 430) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0021598 k( 431) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0021598 k( 432) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0021598 k( 433) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0021598 k( 434) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0021598 k( 435) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0021598 k( 436) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0021598 k( 437) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0021598 k( 438) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0021598 k( 439) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0021598 k( 440) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0021598 k( 441) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0021598 k( 442) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0021598 k( 443) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0021598 k( 444) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0021598 k( 445) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0021598 k( 446) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0021598 k( 447) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0021598 k( 448) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0021598 k( 449) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0021598 k( 450) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0021598 k( 451) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0021598 k( 452) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0021598 k( 453) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0021598 k( 454) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0021598 k( 455) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0021598 k( 456) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0021598 k( 457) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0021598 k( 458) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0021598 k( 459) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0021598 k( 460) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0021598 k( 461) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0021598 k( 462) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0021598 k( 463) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021598 Dense grid: 28675 G-vectors FFT dimensions: ( 36, 36, 48) Smooth grid: 11587 G-vectors FFT dimensions: ( 25, 25, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 62, 34) NL pseudopotentials 0.05 Mb ( 31, 96) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 596) G-vector shells 0.00 Mb ( 222) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 62, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.10 Mb ( 96, 2, 34) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AlGaN2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 50.3 secs Computing kpt #: 2 total cpu time spent up to now is 50.9 secs Computing kpt #: 3 total cpu time spent up to now is 51.5 secs Computing kpt #: 4 total cpu time spent up to now is 52.1 secs Computing kpt #: 5 total cpu time spent up to now is 52.9 secs Computing kpt #: 6 total cpu time spent up to now is 53.6 secs Computing kpt #: 7 total cpu time spent up to now is 54.3 secs Computing kpt #: 8 total cpu time spent up to now is 54.9 secs Computing kpt #: 9 total cpu time spent up to now is 55.6 secs Computing kpt #: 10 total cpu time spent up to now is 56.1 secs Computing kpt #: 11 total cpu time spent up to now is 56.7 secs Computing kpt #: 12 total cpu time spent up to now is 57.3 secs Computing kpt #: 13 total cpu time spent up to now is 57.8 secs Computing kpt #: 14 total cpu time spent up to now is 58.6 secs Computing kpt #: 15 total cpu time spent up to now is 59.2 secs Computing kpt #: 16 total cpu time spent up to now is 59.7 secs Computing kpt #: 17 total cpu time spent up to now is 60.5 secs Computing kpt #: 18 total cpu time spent up to now is 61.1 secs Computing kpt #: 19 total cpu time spent up to now is 61.6 secs Computing kpt #: 20 total cpu time spent up to now is 62.1 secs Computing kpt #: 21 total cpu time spent up to now is 62.6 secs Computing kpt #: 22 total cpu time spent up to now is 63.3 secs Computing kpt #: 23 total cpu time spent up to now is 64.3 secs Computing kpt #: 24 total cpu time spent up to now is 64.8 secs Computing kpt #: 25 total cpu time spent up to now is 65.3 secs Computing kpt #: 26 total cpu time spent up to now is 65.8 secs Computing kpt #: 27 total cpu time spent up to now is 66.2 secs Computing kpt #: 28 total cpu time spent up to now is 66.8 secs Computing kpt #: 29 total cpu time spent up to now is 67.3 secs Computing kpt #: 30 total cpu time spent up to now is 67.8 secs Computing kpt #: 31 total cpu time spent up to now is 68.4 secs Computing kpt #: 32 total cpu time spent up to now is 69.1 secs Computing kpt #: 33 total cpu time spent up to now is 69.7 secs Computing kpt #: 34 total cpu time spent up to now is 70.2 secs Computing kpt #: 35 total cpu time spent up to now is 70.7 secs Computing kpt #: 36 total cpu time spent up to now is 71.2 secs Computing kpt #: 37 total cpu time spent up to now is 71.8 secs Computing kpt #: 38 total cpu time spent up to now is 72.3 secs Computing kpt #: 39 total cpu time spent up to now is 72.8 secs Computing kpt #: 40 total cpu time spent up to now is 73.3 secs Computing kpt #: 41 total cpu time spent up to now is 73.8 secs Computing kpt #: 42 total cpu time spent up to now is 74.5 secs Computing kpt #: 43 total cpu time spent up to now is 75.1 secs Computing kpt #: 44 total cpu time spent up to now is 75.6 secs Computing kpt #: 45 total cpu time spent up to now is 76.1 secs Computing kpt #: 46 total cpu time spent up to now is 76.5 secs Computing kpt #: 47 total cpu time spent up to now is 77.0 secs Computing kpt #: 48 total cpu time spent up to now is 77.4 secs Computing kpt #: 49 total cpu time spent up to now is 77.9 secs Computing kpt #: 50 total cpu time spent up to now is 78.3 secs Computing kpt #: 51 total cpu time spent up to now is 78.8 secs Computing kpt #: 52 total cpu time spent up to now is 79.2 secs Computing kpt #: 53 total cpu time spent up to now is 79.9 secs Computing kpt #: 54 total cpu time spent up to now is 80.4 secs Computing kpt #: 55 total cpu time spent up to now is 80.8 secs Computing kpt #: 56 total cpu time spent up to now is 81.2 secs Computing kpt #: 57 total cpu time spent up to now is 81.6 secs Computing kpt #: 58 total cpu time spent up to now is 82.1 secs Computing kpt #: 59 total cpu time spent up to now is 82.5 secs Computing kpt #: 60 total cpu time spent up to now is 82.9 secs Computing kpt #: 61 total cpu time spent up to now is 83.4 secs Computing kpt #: 62 total cpu time spent up to now is 83.8 secs Computing kpt #: 63 total cpu time spent up to now is 84.3 secs Computing kpt #: 64 total cpu time spent up to now is 85.1 secs Computing kpt #: 65 total cpu time spent up to now is 85.7 secs Computing kpt #: 66 total cpu time spent up to now is 86.2 secs Computing kpt #: 67 total cpu time spent up to now is 86.6 secs Computing kpt #: 68 total cpu time spent up to now is 87.1 secs Computing kpt #: 69 total cpu time spent up to now is 87.7 secs Computing kpt #: 70 total cpu time spent up to now is 88.3 secs Computing kpt #: 71 total cpu time spent up to now is 88.9 secs Computing kpt #: 72 total cpu time spent up to now is 89.6 secs Computing kpt #: 73 total cpu time spent up to now is 91.7 secs Computing kpt #: 74 total cpu time spent up to now is 92.4 secs Computing kpt #: 75 total cpu time spent up to now is 92.9 secs Computing kpt #: 76 total cpu time spent up to now is 93.5 secs Computing kpt #: 77 total cpu time spent up to now is 94.0 secs Computing kpt #: 78 total cpu time spent up to now is 94.5 secs Computing kpt #: 79 total cpu time spent up to now is 95.3 secs Computing kpt #: 80 total cpu time spent up to now is 95.8 secs Computing kpt #: 81 total cpu time spent up to now is 96.3 secs Computing kpt #: 82 total cpu time spent up to now is 96.7 secs Computing kpt #: 83 total cpu time spent up to now is 97.3 secs Computing kpt #: 84 total cpu time spent up to now is 97.7 secs Computing kpt #: 85 total cpu time spent up to now is 98.1 secs Computing kpt #: 86 total cpu time spent up to now is 98.5 secs Computing kpt #: 87 total cpu time spent up to now is 98.9 secs Computing kpt #: 88 total cpu time spent up to now is 99.3 secs Computing kpt #: 89 total cpu time spent up to now is 99.7 secs Computing kpt #: 90 total cpu time spent up to now is 100.3 secs Computing kpt #: 91 total cpu time spent up to now is 100.7 secs Computing kpt #: 92 total cpu time spent up to now is 101.1 secs Computing kpt #: 93 total cpu time spent up to now is 101.7 secs Computing kpt #: 94 total cpu time spent up to now is 102.1 secs Computing kpt #: 95 total cpu time spent up to now is 102.5 secs Computing kpt #: 96 total cpu time spent up to now is 102.9 secs Computing kpt #: 97 total cpu time spent up to now is 103.3 secs Computing kpt #: 98 total cpu time spent up to now is 103.7 secs Computing kpt #: 99 total cpu time spent up to now is 104.5 secs Computing kpt #: 100 total cpu time spent up to now is 104.8 secs Computing kpt #: 101 total cpu time spent up to now is 105.6 secs Computing kpt #: 102 total cpu time spent up to now is 106.0 secs Computing kpt #: 103 total cpu time spent up to now is 106.4 secs Computing kpt #: 104 total cpu time spent up to now is 107.8 secs Computing kpt #: 105 total cpu time spent up to now is 108.3 secs Computing kpt #: 106 total cpu time spent up to now is 108.7 secs Computing kpt #: 107 total cpu time spent up to now is 109.1 secs Computing kpt #: 108 total cpu time spent up to now is 109.6 secs Computing kpt #: 109 total cpu time spent up to now is 110.0 secs Computing kpt #: 110 total cpu time spent up to now is 110.3 secs Computing kpt #: 111 total cpu time spent up to now is 111.1 secs Computing kpt #: 112 total cpu time spent up to now is 111.5 secs Computing kpt #: 113 total cpu time spent up to now is 112.5 secs Computing kpt #: 114 total cpu time spent up to now is 113.1 secs Computing kpt #: 115 total cpu time spent up to now is 113.5 secs Computing kpt #: 116 total cpu time spent up to now is 113.9 secs Computing kpt #: 117 total cpu time spent up to now is 114.6 secs Computing kpt #: 118 total cpu time spent up to now is 115.1 secs Computing kpt #: 119 total cpu time spent up to now is 116.0 secs Computing kpt #: 120 total cpu time spent up to now is 116.4 secs Computing kpt #: 121 total cpu time spent up to now is 116.9 secs Computing kpt #: 122 total cpu time spent up to now is 117.7 secs Computing kpt #: 123 total cpu time spent up to now is 118.1 secs Computing kpt #: 124 total cpu time spent up to now is 118.5 secs Computing kpt #: 125 total cpu time spent up to now is 119.1 secs Computing kpt #: 126 total cpu time spent up to now is 119.5 secs Computing kpt #: 127 total cpu time spent up to now is 120.1 secs Computing kpt #: 128 total cpu time spent up to now is 120.6 secs Computing kpt #: 129 total cpu time spent up to now is 121.1 secs Computing kpt #: 130 total cpu time spent up to now is 121.9 secs Computing kpt #: 131 total cpu time spent up to now is 122.3 secs Computing kpt #: 132 total cpu time spent up to now is 122.9 secs Computing kpt #: 133 total cpu time spent up to now is 123.5 secs Computing kpt #: 134 total cpu time spent up to now is 124.0 secs Computing kpt #: 135 total cpu time spent up to now is 124.6 secs Computing kpt #: 136 total cpu time spent up to now is 125.1 secs Computing kpt #: 137 total cpu time spent up to now is 125.6 secs Computing kpt #: 138 total cpu time spent up to now is 126.3 secs Computing kpt #: 139 total cpu time spent up to now is 126.9 secs Computing kpt #: 140 total cpu time spent up to now is 127.7 secs Computing kpt #: 141 total cpu time spent up to now is 128.3 secs Computing kpt #: 142 total cpu time spent up to now is 128.9 secs Computing kpt #: 143 total cpu time spent up to now is 129.4 secs Computing kpt #: 144 total cpu time spent up to now is 129.9 secs Computing kpt #: 145 total cpu time spent up to now is 130.5 secs Computing kpt #: 146 total cpu time spent up to now is 131.0 secs Computing kpt #: 147 total cpu time spent up to now is 131.5 secs Computing kpt #: 148 total cpu time spent up to now is 132.0 secs Computing kpt #: 149 total cpu time spent up to now is 132.5 secs Computing kpt #: 150 total cpu time spent up to now is 133.0 secs Computing kpt #: 151 total cpu time spent up to now is 134.4 secs Computing kpt #: 152 total cpu time spent up to now is 134.9 secs Computing kpt #: 153 total cpu time spent up to now is 135.3 secs Computing kpt #: 154 total cpu time spent up to now is 135.8 secs Computing kpt #: 155 total cpu time spent up to now is 136.2 secs Computing kpt #: 156 total cpu time spent up to now is 136.7 secs Computing kpt #: 157 total cpu time spent up to now is 137.2 secs Computing kpt #: 158 total cpu time spent up to now is 137.6 secs Computing kpt #: 159 total cpu time spent up to now is 138.1 secs Computing kpt #: 160 total cpu time spent up to now is 138.7 secs Computing kpt #: 161 total cpu time spent up to now is 139.6 secs Computing kpt #: 162 total cpu time spent up to now is 140.1 secs Computing kpt #: 163 total cpu time spent up to now is 140.5 secs Computing kpt #: 164 total cpu time spent up to now is 141.0 secs Computing kpt #: 165 total cpu time spent up to now is 141.6 secs Computing kpt #: 166 total cpu time spent up to now is 142.1 secs Computing kpt #: 167 total cpu time spent up to now is 142.6 secs Computing kpt #: 168 total cpu time spent up to now is 143.2 secs Computing kpt #: 169 total cpu time spent up to now is 143.8 secs Computing kpt #: 170 total cpu time spent up to now is 144.5 secs Computing kpt #: 171 total cpu time spent up to now is 145.5 secs Computing kpt #: 172 total cpu time spent up to now is 146.2 secs Computing kpt #: 173 total cpu time spent up to now is 146.7 secs Computing kpt #: 174 total cpu time spent up to now is 147.3 secs Computing kpt #: 175 total cpu time spent up to now is 147.9 secs Computing kpt #: 176 total cpu time spent up to now is 148.5 secs Computing kpt #: 177 total cpu time spent up to now is 149.0 secs Computing kpt #: 178 total cpu time spent up to now is 149.6 secs Computing kpt #: 179 total cpu time spent up to now is 150.3 secs Computing kpt #: 180 total cpu time spent up to now is 150.9 secs Computing kpt #: 181 total cpu time spent up to now is 151.7 secs Computing kpt #: 182 total cpu time spent up to now is 152.3 secs Computing kpt #: 183 total cpu time spent up to now is 152.9 secs Computing kpt #: 184 total cpu time spent up to now is 153.5 secs Computing kpt #: 185 total cpu time spent up to now is 154.0 secs Computing kpt #: 186 total cpu time spent up to now is 154.6 secs Computing kpt #: 187 total cpu time spent up to now is 155.1 secs Computing kpt #: 188 total cpu time spent up to now is 155.6 secs Computing kpt #: 189 total cpu time spent up to now is 156.2 secs Computing kpt #: 190 total cpu time spent up to now is 156.8 secs Computing kpt #: 191 total cpu time spent up to now is 157.5 secs Computing kpt #: 192 total cpu time spent up to now is 158.0 secs Computing kpt #: 193 total cpu time spent up to now is 158.4 secs Computing kpt #: 194 total cpu time spent up to now is 158.8 secs Computing kpt #: 195 total cpu time spent up to now is 159.2 secs Computing kpt #: 196 total cpu time spent up to now is 159.6 secs Computing kpt #: 197 total cpu time spent up to now is 160.0 secs Computing kpt #: 198 total cpu time spent up to now is 160.4 secs Computing kpt #: 199 total cpu time spent up to now is 160.8 secs Computing kpt #: 200 total cpu time spent up to now is 161.2 secs Computing kpt #: 201 total cpu time spent up to now is 161.5 secs Computing kpt #: 202 total cpu time spent up to now is 161.9 secs Computing kpt #: 203 total cpu time spent up to now is 162.4 secs Computing kpt #: 204 total cpu time spent up to now is 162.9 secs Computing kpt #: 205 total cpu time spent up to now is 163.6 secs Computing kpt #: 206 total cpu time spent up to now is 164.1 secs Computing kpt #: 207 total cpu time spent up to now is 164.6 secs Computing kpt #: 208 total cpu time spent up to now is 165.1 secs Computing kpt #: 209 total cpu time spent up to now is 165.5 secs Computing kpt #: 210 total cpu time spent up to now is 165.9 secs Computing kpt #: 211 total cpu time spent up to now is 166.3 secs Computing kpt #: 212 total cpu time spent up to now is 166.6 secs Computing kpt #: 213 total cpu time spent up to now is 167.0 secs Computing kpt #: 214 total cpu time spent up to now is 167.3 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 168.3 secs Computing kpt #: 217 total cpu time spent up to now is 168.8 secs Computing kpt #: 218 total cpu time spent up to now is 169.4 secs Computing kpt #: 219 total cpu time spent up to now is 169.8 secs Computing kpt #: 220 total cpu time spent up to now is 170.3 secs Computing kpt #: 221 total cpu time spent up to now is 170.7 secs Computing kpt #: 222 total cpu time spent up to now is 171.1 secs Computing kpt #: 223 total cpu time spent up to now is 171.5 secs Computing kpt #: 224 total cpu time spent up to now is 171.9 secs Computing kpt #: 225 total cpu time spent up to now is 172.3 secs Computing kpt #: 226 total cpu time spent up to now is 172.8 secs Computing kpt #: 227 total cpu time spent up to now is 173.4 secs Computing kpt #: 228 total cpu time spent up to now is 174.1 secs Computing kpt #: 229 total cpu time spent up to now is 175.0 secs Computing kpt #: 230 total cpu time spent up to now is 175.5 secs Computing kpt #: 231 total cpu time spent up to now is 176.1 secs Computing kpt #: 232 total cpu time spent up to now is 176.6 secs Computing kpt #: 233 total cpu time spent up to now is 177.1 secs Computing kpt #: 234 total cpu time spent up to now is 177.6 secs Computing kpt #: 235 total cpu time spent up to now is 178.1 secs Computing kpt #: 236 total cpu time spent up to now is 178.6 secs Computing kpt #: 237 total cpu time spent up to now is 179.2 secs Computing kpt #: 238 total cpu time spent up to now is 180.0 secs Computing kpt #: 239 total cpu time spent up to now is 180.5 secs Computing kpt #: 240 total cpu time spent up to now is 181.0 secs Computing kpt #: 241 total cpu time spent up to now is 181.7 secs Computing kpt #: 242 total cpu time spent up to now is 182.2 secs Computing kpt #: 243 total cpu time spent up to now is 182.7 secs Computing kpt #: 244 total cpu time spent up to now is 183.3 secs Computing kpt #: 245 total cpu time spent up to now is 183.9 secs Computing kpt #: 246 total cpu time spent up to now is 184.3 secs Computing kpt #: 247 total cpu time spent up to now is 184.8 secs Computing kpt #: 248 total cpu time spent up to now is 185.5 secs Computing kpt #: 249 total cpu time spent up to now is 186.0 secs Computing kpt #: 250 total cpu time spent up to now is 186.9 secs Computing kpt #: 251 total cpu time spent up to now is 187.4 secs Computing kpt #: 252 total cpu time spent up to now is 187.8 secs Computing kpt #: 253 total cpu time spent up to now is 188.3 secs Computing kpt #: 254 total cpu time spent up to now is 188.7 secs Computing kpt #: 255 total cpu time spent up to now is 189.3 secs Computing kpt #: 256 total cpu time spent up to now is 189.8 secs Computing kpt #: 257 total cpu time spent up to now is 190.5 secs Computing kpt #: 258 total cpu time spent up to now is 190.9 secs Computing kpt #: 259 total cpu time spent up to now is 191.3 secs Computing kpt #: 260 total cpu time spent up to now is 191.8 secs Computing kpt #: 261 total cpu time spent up to now is 192.2 secs Computing kpt #: 262 total cpu time spent up to now is 192.8 secs Computing kpt #: 263 total cpu time spent up to now is 193.3 secs Computing kpt #: 264 total cpu time spent up to now is 193.8 secs Computing kpt #: 265 total cpu time spent up to now is 194.3 secs Computing kpt #: 266 total cpu time spent up to now is 194.8 secs Computing kpt #: 267 total cpu time spent up to now is 195.4 secs Computing kpt #: 268 total cpu time spent up to now is 195.8 secs Computing kpt #: 269 total cpu time spent up to now is 196.3 secs Computing kpt #: 270 total cpu time spent up to now is 196.7 secs Computing kpt #: 271 total cpu time spent up to now is 197.4 secs Computing kpt #: 272 total cpu time spent up to now is 197.9 secs Computing kpt #: 273 total cpu time spent up to now is 198.4 secs Computing kpt #: 274 total cpu time spent up to now is 198.8 secs Computing kpt #: 275 total cpu time spent up to now is 199.2 secs Computing kpt #: 276 total cpu time spent up to now is 199.7 secs Computing kpt #: 277 total cpu time spent up to now is 200.1 secs Computing kpt #: 278 total cpu time spent up to now is 200.7 secs Computing kpt #: 279 total cpu time spent up to now is 201.1 secs Computing kpt #: 280 total cpu time spent up to now is 201.5 secs Computing kpt #: 281 total cpu time spent up to now is 201.8 secs Computing kpt #: 282 total cpu time spent up to now is 202.5 secs Computing kpt #: 283 total cpu time spent up to now is 202.9 secs Computing kpt #: 284 total cpu time spent up to now is 203.2 secs Computing kpt #: 285 total cpu time spent up to now is 203.6 secs Computing kpt #: 286 total cpu time spent up to now is 204.0 secs Computing kpt #: 287 total cpu time spent up to now is 204.5 secs Computing kpt #: 288 total cpu time spent up to now is 205.0 secs Computing kpt #: 289 total cpu time spent up to now is 205.6 secs Computing kpt #: 290 total cpu time spent up to now is 206.0 secs Computing kpt #: 291 total cpu time spent up to now is 206.4 secs Computing kpt #: 292 total cpu time spent up to now is 206.8 secs Computing kpt #: 293 total cpu time spent up to now is 207.2 secs Computing kpt #: 294 total cpu time spent up to now is 207.5 secs Computing kpt #: 295 total cpu time spent up to now is 207.9 secs Computing kpt #: 296 total cpu time spent up to now is 208.6 secs Computing kpt #: 297 total cpu time spent up to now is 209.0 secs Computing kpt #: 298 total cpu time spent up to now is 209.4 secs Computing kpt #: 299 total cpu time spent up to now is 209.8 secs Computing kpt #: 300 total cpu time spent up to now is 210.3 secs Computing kpt #: 301 total cpu time spent up to now is 210.8 secs Computing kpt #: 302 total cpu time spent up to now is 212.8 secs Computing kpt #: 303 total cpu time spent up to now is 213.2 secs Computing kpt #: 304 total cpu time spent up to now is 213.7 secs Computing kpt #: 305 total cpu time spent up to now is 214.4 secs Computing kpt #: 306 total cpu time spent up to now is 215.0 secs Computing kpt #: 307 total cpu time spent up to now is 215.5 secs Computing kpt #: 308 total cpu time spent up to now is 216.1 secs Computing kpt #: 309 total cpu time spent up to now is 216.7 secs Computing kpt #: 310 total cpu time spent up to now is 217.3 secs Computing kpt #: 311 total cpu time spent up to now is 218.0 secs Computing kpt #: 312 total cpu time spent up to now is 218.8 secs Computing kpt #: 313 total cpu time spent up to now is 219.7 secs Computing kpt #: 314 total cpu time spent up to now is 220.8 secs Computing kpt #: 315 total cpu time spent up to now is 221.8 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.2 secs Computing kpt #: 317 total cpu time spent up to now is 224.2 secs Computing kpt #: 318 total cpu time spent up to now is 225.1 secs Computing kpt #: 319 total cpu time spent up to now is 226.2 secs Computing kpt #: 320 total cpu time spent up to now is 227.0 secs Computing kpt #: 321 total cpu time spent up to now is 227.5 secs Computing kpt #: 322 total cpu time spent up to now is 228.2 secs Computing kpt #: 323 total cpu time spent up to now is 228.9 secs Computing kpt #: 324 total cpu time spent up to now is 229.4 secs Computing kpt #: 325 total cpu time spent up to now is 230.0 secs Computing kpt #: 326 total cpu time spent up to now is 230.5 secs Computing kpt #: 327 total cpu time spent up to now is 231.0 secs Computing kpt #: 328 total cpu time spent up to now is 231.8 secs Computing kpt #: 329 total cpu time spent up to now is 232.3 secs Computing kpt #: 330 total cpu time spent up to now is 232.7 secs Computing kpt #: 331 total cpu time spent up to now is 233.3 secs Computing kpt #: 332 total cpu time spent up to now is 233.9 secs Computing kpt #: 333 total cpu time spent up to now is 234.6 secs Computing kpt #: 334 total cpu time spent up to now is 235.0 secs Computing kpt #: 335 total cpu time spent up to now is 235.5 secs Computing kpt #: 336 total cpu time spent up to now is 236.0 secs Computing kpt #: 337 total cpu time spent up to now is 236.4 secs Computing kpt #: 338 total cpu time spent up to now is 237.0 secs Computing kpt #: 339 total cpu time spent up to now is 237.5 secs Computing kpt #: 340 total cpu time spent up to now is 238.0 secs Computing kpt #: 341 total cpu time spent up to now is 238.5 secs Computing kpt #: 342 total cpu time spent up to now is 239.0 secs Computing kpt #: 343 total cpu time spent up to now is 239.5 secs Computing kpt #: 344 total cpu time spent up to now is 240.0 secs Computing kpt #: 345 total cpu time spent up to now is 240.5 secs Computing kpt #: 346 total cpu time spent up to now is 241.0 secs Computing kpt #: 347 total cpu time spent up to now is 241.7 secs Computing kpt #: 348 total cpu time spent up to now is 242.1 secs Computing kpt #: 349 total cpu time spent up to now is 242.5 secs Computing kpt #: 350 total cpu time spent up to now is 243.1 secs Computing kpt #: 351 total cpu time spent up to now is 243.5 secs Computing kpt #: 352 total cpu time spent up to now is 243.9 secs Computing kpt #: 353 total cpu time spent up to now is 244.3 secs Computing kpt #: 354 total cpu time spent up to now is 244.9 secs Computing kpt #: 355 total cpu time spent up to now is 245.3 secs Computing kpt #: 356 total cpu time spent up to now is 245.7 secs Computing kpt #: 357 total cpu time spent up to now is 246.2 secs Computing kpt #: 358 total cpu time spent up to now is 246.7 secs Computing kpt #: 359 total cpu time spent up to now is 247.2 secs Computing kpt #: 360 total cpu time spent up to now is 247.7 secs Computing kpt #: 361 total cpu time spent up to now is 248.4 secs Computing kpt #: 362 total cpu time spent up to now is 248.9 secs Computing kpt #: 363 total cpu time spent up to now is 249.4 secs Computing kpt #: 364 total cpu time spent up to now is 249.9 secs Computing kpt #: 365 total cpu time spent up to now is 251.5 secs Computing kpt #: 366 total cpu time spent up to now is 252.0 secs Computing kpt #: 367 total cpu time spent up to now is 252.6 secs Computing kpt #: 368 total cpu time spent up to now is 253.4 secs Computing kpt #: 369 total cpu time spent up to now is 254.3 secs Computing kpt #: 370 total cpu time spent up to now is 255.0 secs Computing kpt #: 371 total cpu time spent up to now is 255.6 secs Computing kpt #: 372 total cpu time spent up to now is 256.2 secs Computing kpt #: 373 total cpu time spent up to now is 256.9 secs Computing kpt #: 374 total cpu time spent up to now is 257.4 secs Computing kpt #: 375 total cpu time spent up to now is 257.9 secs Computing kpt #: 376 total cpu time spent up to now is 258.5 secs Computing kpt #: 377 total cpu time spent up to now is 258.9 secs Computing kpt #: 378 total cpu time spent up to now is 259.6 secs Computing kpt #: 379 total cpu time spent up to now is 260.1 secs Computing kpt #: 380 total cpu time spent up to now is 260.5 secs Computing kpt #: 381 total cpu time spent up to now is 260.9 secs Computing kpt #: 382 total cpu time spent up to now is 261.3 secs Computing kpt #: 383 total cpu time spent up to now is 261.7 secs Computing kpt #: 384 total cpu time spent up to now is 262.2 secs Computing kpt #: 385 total cpu time spent up to now is 262.6 secs Computing kpt #: 386 total cpu time spent up to now is 263.1 secs Computing kpt #: 387 total cpu time spent up to now is 263.4 secs Computing kpt #: 388 total cpu time spent up to now is 263.9 secs Computing kpt #: 389 total cpu time spent up to now is 264.2 secs Computing kpt #: 390 total cpu time spent up to now is 264.7 secs Computing kpt #: 391 total cpu time spent up to now is 265.1 secs Computing kpt #: 392 total cpu time spent up to now is 265.8 secs Computing kpt #: 393 total cpu time spent up to now is 266.2 secs Computing kpt #: 394 total cpu time spent up to now is 266.6 secs Computing kpt #: 395 total cpu time spent up to now is 267.0 secs Computing kpt #: 396 total cpu time spent up to now is 273.0 secs Computing kpt #: 397 total cpu time spent up to now is 273.4 secs Computing kpt #: 398 total cpu time spent up to now is 273.8 secs Computing kpt #: 399 total cpu time spent up to now is 274.2 secs Computing kpt #: 400 total cpu time spent up to now is 274.6 secs Computing kpt #: 401 total cpu time spent up to now is 275.0 secs Computing kpt #: 402 total cpu time spent up to now is 275.4 secs Computing kpt #: 403 total cpu time spent up to now is 275.8 secs Computing kpt #: 404 total cpu time spent up to now is 276.3 secs Computing kpt #: 405 total cpu time spent up to now is 276.9 secs Computing kpt #: 406 total cpu time spent up to now is 277.3 secs Computing kpt #: 407 total cpu time spent up to now is 277.7 secs Computing kpt #: 408 total cpu time spent up to now is 278.1 secs Computing kpt #: 409 total cpu time spent up to now is 278.5 secs Computing kpt #: 410 total cpu time spent up to now is 279.0 secs Computing kpt #: 411 total cpu time spent up to now is 279.4 secs Computing kpt #: 412 total cpu time spent up to now is 279.8 secs Computing kpt #: 413 total cpu time spent up to now is 280.4 secs Computing kpt #: 414 total cpu time spent up to now is 281.1 secs Computing kpt #: 415 total cpu time spent up to now is 281.7 secs Computing kpt #: 416 total cpu time spent up to now is 282.3 secs Computing kpt #: 417 total cpu time spent up to now is 283.2 secs Computing kpt #: 418 total cpu time spent up to now is 284.0 secs Computing kpt #: 419 total cpu time spent up to now is 284.8 secs Computing kpt #: 420 total cpu time spent up to now is 285.6 secs Computing kpt #: 421 total cpu time spent up to now is 286.3 secs Computing kpt #: 422 total cpu time spent up to now is 286.8 secs Computing kpt #: 423 total cpu time spent up to now is 287.3 secs Computing kpt #: 424 total cpu time spent up to now is 287.9 secs Computing kpt #: 425 total cpu time spent up to now is 288.4 secs Computing kpt #: 426 total cpu time spent up to now is 289.2 secs Computing kpt #: 427 total cpu time spent up to now is 289.5 secs Computing kpt #: 428 total cpu time spent up to now is 289.9 secs Computing kpt #: 429 total cpu time spent up to now is 290.5 secs Computing kpt #: 430 total cpu time spent up to now is 290.9 secs Computing kpt #: 431 total cpu time spent up to now is 291.2 secs Computing kpt #: 432 total cpu time spent up to now is 291.6 secs Computing kpt #: 433 total cpu time spent up to now is 292.0 secs Computing kpt #: 434 total cpu time spent up to now is 292.3 secs Computing kpt #: 435 total cpu time spent up to now is 292.7 secs Computing kpt #: 436 total cpu time spent up to now is 293.1 secs Computing kpt #: 437 total cpu time spent up to now is 293.5 secs Computing kpt #: 438 total cpu time spent up to now is 294.1 secs Computing kpt #: 439 total cpu time spent up to now is 294.6 secs Computing kpt #: 440 total cpu time spent up to now is 295.2 secs Computing kpt #: 441 total cpu time spent up to now is 296.1 secs Computing kpt #: 442 total cpu time spent up to now is 296.6 secs Computing kpt #: 443 total cpu time spent up to now is 297.1 secs Computing kpt #: 444 total cpu time spent up to now is 297.6 secs Computing kpt #: 445 total cpu time spent up to now is 298.0 secs Computing kpt #: 446 total cpu time spent up to now is 298.4 secs Computing kpt #: 447 total cpu time spent up to now is 298.8 secs Computing kpt #: 448 total cpu time spent up to now is 299.5 secs Computing kpt #: 449 total cpu time spent up to now is 300.0 secs Computing kpt #: 450 total cpu time spent up to now is 300.6 secs Computing kpt #: 451 total cpu time spent up to now is 301.0 secs Computing kpt #: 452 total cpu time spent up to now is 301.6 secs Computing kpt #: 453 total cpu time spent up to now is 302.1 secs Computing kpt #: 454 total cpu time spent up to now is 302.6 secs Computing kpt #: 455 total cpu time spent up to now is 303.1 secs Computing kpt #: 456 total cpu time spent up to now is 303.5 secs Computing kpt #: 457 total cpu time spent up to now is 304.0 secs Computing kpt #: 458 total cpu time spent up to now is 304.5 secs Computing kpt #: 459 total cpu time spent up to now is 305.3 secs Computing kpt #: 460 total cpu time spent up to now is 306.0 secs Computing kpt #: 461 total cpu time spent up to now is 306.7 secs Computing kpt #: 462 total cpu time spent up to now is 308.1 secs Computing kpt #: 463 total cpu time spent up to now is 309.0 secs ethr = 3.85E-11, avg # of iterations = 23.7 total cpu time spent up to now is 309.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1465 PWs) bands (ev): -7.1167 -7.1167 -5.7407 -5.7407 -4.7670 -4.7670 -4.5038 -4.5038 -4.3088 -4.3088 -4.2092 -4.2092 -3.1517 -3.1517 2.9167 2.9167 6.1082 6.1082 6.1314 6.1314 8.3501 8.3501 8.4370 8.4370 8.4465 8.4465 11.2915 11.2915 11.8433 11.8433 16.0693 16.0693 19.6428 19.6428 k = 0.0000 0.0098-0.0000 ( 1465 PWs) bands (ev): -7.1158 -7.1158 -5.7425 -5.7388 -4.7680 -4.7659 -4.5093 -4.4984 -4.3099 -4.3075 -4.2107 -4.2078 -3.1532 -3.1493 2.9174 2.9175 6.1045 6.1069 6.1296 6.1298 8.3488 8.3488 8.4321 8.4323 8.4438 8.4441 11.2979 11.2980 11.8472 11.8483 16.0726 16.0727 19.6420 19.6430 k = 0.0000 0.0196-0.0000 ( 1461 PWs) bands (ev): -7.1134 -7.1133 -5.7442 -5.7368 -4.7689 -4.7646 -4.5149 -4.4930 -4.3109 -4.3061 -4.2124 -4.2066 -3.1540 -3.1462 2.9199 2.9201 6.0924 6.0977 6.1273 6.1283 8.3446 8.3452 8.4124 8.4124 8.4416 8.4421 11.3172 11.3173 11.8598 11.8620 16.0827 16.0828 19.6401 19.6421 k = 0.0000 0.0294-0.0000 ( 1461 PWs) bands (ev): -7.1092 -7.1091 -5.7459 -5.7349 -4.7697 -4.7632 -4.5204 -4.4878 -4.3117 -4.3045 -4.2142 -4.2055 -3.1540 -3.1423 2.9239 2.9242 6.0688 6.0765 6.1288 6.1300 8.3355 8.3390 8.3778 8.3803 8.4402 8.4410 11.3485 11.3485 11.8810 11.8843 16.0993 16.0996 19.6365 19.6392 k = 0.0000 0.0392-0.0000 ( 1461 PWs) bands (ev): -7.1034 -7.1033 -5.7475 -5.7328 -4.7704 -4.7617 -4.5260 -4.4826 -4.3124 -4.3027 -4.2161 -4.2045 -3.1533 -3.1378 2.9297 2.9300 6.0347 6.0445 6.1333 6.1345 8.3103 8.3235 8.3369 8.3490 8.4388 8.4398 11.3907 11.3908 11.9106 11.9150 16.1226 16.1229 19.6296 19.6325 k = 0.0000 0.0490-0.0000 ( 1461 PWs) bands (ev): -7.0960 -7.0959 -5.7491 -5.7308 -4.7710 -4.7600 -4.5316 -4.4776 -4.3130 -4.3008 -4.2181 -4.2037 -3.1518 -3.1325 2.9370 2.9375 5.9913 6.0030 6.1399 6.1411 8.2568 8.2675 8.3223 8.3318 8.4372 8.4384 11.4425 11.4430 11.9483 11.9538 16.1522 16.1526 19.6175 19.6199 k = 0.0000 0.0588-0.0000 ( 1461 PWs) bands (ev): -7.0869 -7.0868 -5.7506 -5.7287 -4.7715 -4.7581 -4.5372 -4.4726 -4.3134 -4.2987 -4.2202 -4.2031 -3.1497 -3.1266 2.9459 2.9465 5.9395 5.9531 6.1482 6.1494 8.1876 8.1973 8.3091 8.3175 8.4352 8.4366 11.5026 11.5035 11.9938 12.0002 16.1882 16.1886 19.5982 19.5998 k = 0.0000 0.0686-0.0000 ( 1463 PWs) bands (ev): -7.0762 -7.0761 -5.7520 -5.7267 -4.7719 -4.7561 -4.5428 -4.4678 -4.3137 -4.2963 -4.2224 -4.2026 -3.1469 -3.1202 2.9565 2.9571 5.8800 5.8954 6.1583 6.1594 8.1080 8.1176 8.2936 8.3019 8.4329 8.4345 11.5696 11.5711 12.0466 12.0539 16.2301 16.2307 19.5710 19.5714 k = 0.0000 0.0784-0.0000 ( 1455 PWs) bands (ev): -7.0639 -7.0639 -5.7534 -5.7246 -4.7722 -4.7537 -4.5482 -4.4631 -4.3139 -4.2938 -4.2247 -4.2021 -3.1434 -3.1131 2.9686 2.9693 5.8139 5.8310 6.1699 6.1711 8.0203 8.0300 8.2757 8.2842 8.4302 8.4320 11.6421 11.6443 12.1063 12.1144 16.2778 16.2785 19.5355 19.5362 k = 0.0000 0.0882-0.0000 ( 1455 PWs) bands (ev): -7.0501 -7.0501 -5.7547 -5.7226 -4.7724 -4.7512 -4.5536 -4.4585 -4.3140 -4.2911 -4.2270 -4.2019 -3.1395 -3.1057 2.9821 2.9830 5.7417 5.7603 6.1830 6.1842 7.9259 7.9357 8.2552 8.2640 8.4272 8.4291 11.7191 11.7220 12.1724 12.1811 16.3310 16.3317 19.4934 19.4951 k = 0.0000 0.0980-0.0000 ( 1459 PWs) bands (ev): -7.0347 -7.0347 -5.7560 -5.7206 -4.7726 -4.7485 -4.5589 -4.4540 -4.3140 -4.2881 -4.2295 -4.2018 -3.1350 -3.0978 2.9972 2.9981 5.6643 5.6843 6.1976 6.1989 7.8257 7.8357 8.2320 8.2412 8.4236 8.4258 11.7994 11.8032 12.2443 12.2535 16.3891 16.3899 19.4464 19.4489 k = 0.0000 0.1078-0.0000 ( 1463 PWs) bands (ev): -7.0179 -7.0178 -5.7573 -5.7187 -4.7726 -4.7454 -4.5640 -4.4497 -4.3139 -4.2850 -4.2319 -4.2018 -3.1302 -3.0896 3.0136 3.0146 5.5823 5.6037 6.2138 6.2151 7.7210 7.7311 8.2061 8.2157 8.4198 8.4220 11.8824 11.8870 12.3214 12.3310 16.4518 16.4526 19.3958 19.3990 k = 0.0000 0.1176-0.0000 ( 1459 PWs) bands (ev): -6.9996 -6.9994 -5.7585 -5.7167 -4.7725 -4.7421 -4.5690 -4.4454 -4.3137 -4.2816 -4.2343 -4.2018 -3.1250 -3.0812 3.0314 3.0325 5.4970 5.5196 6.2315 6.2328 7.6124 7.6225 8.1776 8.1875 8.4154 8.4179 11.9673 11.9728 12.4032 12.4131 16.5184 16.5193 19.3427 19.3462 k = 0.0000 0.1275-0.0000 ( 1455 PWs) bands (ev): -6.9799 -6.9796 -5.7597 -5.7149 -4.7723 -4.7384 -4.5738 -4.4413 -4.3134 -4.2779 -4.2367 -4.2018 -3.1196 -3.0726 3.0505 3.0516 5.4089 5.4326 6.2506 6.2520 7.5006 7.5108 8.1463 8.1566 8.4106 8.4132 12.0537 12.0600 12.4891 12.4990 16.5884 16.5893 19.2878 19.2916 k = 0.0000 0.1373-0.0000 ( 1455 PWs) bands (ev): -6.9588 -6.9584 -5.7608 -5.7133 -4.7720 -4.7344 -4.5785 -4.4372 -4.3130 -4.2740 -4.2390 -4.2020 -3.1140 -3.0640 3.0706 3.0718 5.3188 5.3434 6.2710 6.2725 7.3863 7.3965 8.1122 8.1229 8.4053 8.4081 12.1411 12.1482 12.5785 12.5884 16.6610 16.6619 19.2319 19.2360 k = 0.0000 0.1471-0.0000 ( 1451 PWs) bands (ev): -6.9364 -6.9358 -5.7620 -5.7116 -4.7716 -4.7299 -4.5830 -4.4333 -4.3125 -4.2699 -4.2413 -4.2022 -3.1084 -3.0555 3.0919 3.0931 5.2274 5.2530 6.2928 6.2944 7.2701 7.2803 8.0755 8.0865 8.3995 8.4024 12.2295 12.2373 12.6709 12.6805 16.7354 16.7363 19.1758 19.1799 k = 0.0000 0.1569-0.0000 ( 1447 PWs) bands (ev): -6.9128 -6.9120 -5.7632 -5.7102 -4.7710 -4.7251 -4.5872 -4.4294 -4.3120 -4.2657 -4.2433 -4.2023 -3.1029 -3.0470 3.1139 3.1153 5.1356 5.1619 6.3160 6.3176 7.1523 7.1625 8.0360 8.0474 8.3931 8.3962 12.3184 12.3270 12.7656 12.7749 16.8106 16.8115 19.1200 19.1241 k = 0.0000 0.1667-0.0000 ( 1449 PWs) bands (ev): -6.8879 -6.8869 -5.7644 -5.7089 -4.7704 -4.7198 -4.5913 -4.4256 -4.3115 -4.2617 -4.2447 -4.2025 -3.0975 -3.0389 3.1367 3.1381 5.0440 5.0710 6.3404 6.3422 7.0334 7.0435 7.9938 8.0055 8.3862 8.3894 12.4079 12.4172 12.8623 12.8711 16.8857 16.8865 19.0651 19.0689 k = 0.0000 0.1765-0.0000 ( 1447 PWs) bands (ev): -6.8619 -6.8606 -5.7656 -5.7078 -4.7695 -4.7141 -4.5951 -4.4219 -4.3108 -4.2585 -4.2448 -4.2027 -3.0924 -3.0311 3.1599 3.1614 4.9535 4.9810 6.3662 6.3680 6.9138 6.9238 7.9490 7.9610 8.3786 8.3819 12.4979 12.5079 12.9605 12.9688 16.9596 16.9603 19.0113 19.0150 k = 0.0000 0.1863-0.0000 ( 1447 PWs) bands (ev): -6.8348 -6.8332 -5.7669 -5.7069 -4.7685 -4.7079 -4.5986 -4.4184 -4.3102 -4.2574 -4.2424 -4.2028 -3.0878 -3.0239 3.1833 3.1849 4.8648 4.8928 6.3932 6.3950 6.7939 6.8037 7.9015 7.9138 8.3703 8.3738 12.5883 12.5989 13.0600 13.0677 17.0312 17.0319 18.9593 18.9625 k = 0.0000 0.1961-0.0000 ( 1451 PWs) bands (ev): -6.8067 -6.8047 -5.7683 -5.7063 -4.7674 -4.7013 -4.6019 -4.4148 -4.3094 -4.2582 -4.2377 -4.2028 -3.0837 -3.0172 3.2065 3.2083 4.7787 4.8070 6.4214 6.4233 6.6738 6.6834 7.8515 7.8640 8.3614 8.3650 12.6791 12.6904 13.1603 13.1673 17.0991 17.0998 18.9091 18.9119 k = 0.0000 0.2059-0.0000 ( 1457 PWs) bands (ev): -6.7777 -6.7753 -5.7697 -5.7058 -4.7662 -4.6941 -4.6048 -4.4115 -4.3088 -4.2598 -4.2317 -4.2027 -3.0802 -3.0113 3.2291 3.2310 4.6961 4.7246 6.4507 6.4526 6.5540 6.5634 7.7988 7.8116 8.3516 8.3553 12.7703 12.7824 13.2612 13.2676 17.1624 17.1631 18.8609 18.8633 k = 0.0000 0.2157-0.0000 ( 1453 PWs) bands (ev): -6.7478 -6.7449 -5.7712 -5.7056 -4.7646 -4.6865 -4.6074 -4.4081 -4.3080 -4.2616 -4.2246 -4.2024 -3.0776 -3.0062 3.2505 3.2527 4.6180 4.6465 6.4340 6.4438 6.4814 6.4839 7.7438 7.7569 8.3412 8.3450 12.8621 12.8748 13.3626 13.3683 17.2198 17.2206 18.8150 18.8167 k = 0.0000 0.2255-0.0000 ( 1447 PWs) bands (ev): -6.7172 -6.7137 -5.7727 -5.7056 -4.7630 -4.6784 -4.6095 -4.4048 -4.3071 -4.2636 -4.2168 -4.2019 -3.0759 -3.0021 3.2701 3.2727 4.5453 4.5737 6.3156 6.3250 6.5129 6.5153 7.6864 7.6997 8.3300 8.3340 12.9542 12.9676 13.4643 13.4694 17.2706 17.2715 18.7710 18.7721 k = 0.0000 0.2353-0.0000 ( 1457 PWs) bands (ev): -6.6859 -6.6818 -5.7744 -5.7059 -4.7612 -4.6701 -4.6111 -4.4017 -4.3064 -4.2656 -4.2084 -4.2013 -3.0752 -2.9991 3.2872 3.2903 4.4791 4.5071 6.1979 6.2071 6.5455 6.5479 7.6267 7.6402 8.3179 8.3219 13.0469 13.0610 13.5662 13.5705 17.3135 17.3147 18.7288 18.7291 k = 0.0000 0.2451-0.0000 ( 1461 PWs) bands (ev): -6.6541 -6.6493 -5.7763 -5.7066 -4.7592 -4.6618 -4.6118 -4.3986 -4.3055 -4.2676 -4.2004 -4.1992 -3.0757 -2.9974 3.3009 3.3046 4.4206 4.4479 6.0813 6.0903 6.5791 6.5816 7.5648 7.5784 8.3050 8.3092 13.1401 13.1549 13.6681 13.6718 17.3481 17.3498 18.6874 18.6880 k = 0.0000 0.2549-0.0000 ( 1461 PWs) bands (ev): -6.6218 -6.6162 -5.7782 -5.7075 -4.7569 -4.6540 -4.6111 -4.3957 -4.3047 -4.2695 -4.1990 -4.1892 -3.0775 -2.9969 3.3104 3.3149 4.3708 4.3972 5.9661 5.9750 6.6136 6.6162 7.5008 7.5146 8.2912 8.2955 13.2339 13.2494 13.7702 13.7732 17.3739 17.3763 18.6463 18.6480 k = 0.0000 0.2647-0.0000 ( 1460 PWs) bands (ev): -6.5891 -6.5827 -5.7803 -5.7087 -4.7545 -4.6476 -4.6082 -4.3928 -4.3038 -4.2713 -4.1973 -4.1784 -3.0808 -2.9979 3.3148 3.3203 4.3308 4.3560 5.8527 5.8615 6.6490 6.6517 7.4347 7.4486 8.2766 8.2810 13.3283 13.3445 13.8723 13.8747 17.3909 17.3940 18.6052 18.6081 k = 0.0000 0.2745-0.0000 ( 1460 PWs) bands (ev): -6.5562 -6.5488 -5.7825 -5.7102 -4.7520 -4.6432 -4.6024 -4.3901 -4.3029 -4.2730 -4.1951 -4.1668 -3.0856 -3.0005 3.3137 3.3204 4.3014 4.3251 5.7412 5.7499 6.6853 6.6881 7.3667 7.3808 8.2610 8.2655 13.4233 13.4403 13.9744 13.9762 17.3990 17.4031 18.5632 18.5675 k = 0.0000 0.2843-0.0000 ( 1452 PWs) bands (ev): -6.5231 -6.5147 -5.7849 -5.7121 -4.7492 -4.6409 -4.5937 -4.3875 -4.3020 -4.2745 -4.1923 -4.1543 -3.0920 -3.0047 3.3068 3.3148 4.2828 4.3047 5.6320 5.6407 6.7223 6.7252 7.2970 7.3112 8.2446 8.2491 13.5191 13.5368 14.0765 14.0778 17.3986 17.4039 18.5194 18.5253 k = 0.0000 0.2941-0.0000 ( 1452 PWs) bands (ev): -6.4901 -6.4805 -5.7875 -5.7143 -4.7462 -4.6402 -4.5827 -4.3851 -4.3011 -4.2760 -4.1888 -4.1409 -3.1001 -3.0106 3.2944 3.3037 4.2748 4.2948 5.5252 5.5339 6.7601 6.7631 7.2255 7.2398 8.2272 8.2318 13.6156 13.6341 14.1785 14.1792 17.3899 17.3965 18.4728 18.4805 k = 0.0000 0.3039-0.0000 ( 1460 PWs) bands (ev): -6.4572 -6.4464 -5.7903 -5.7169 -4.7432 -4.6403 -4.5703 -4.3829 -4.3002 -4.2774 -4.1847 -4.1266 -3.1101 -3.0184 3.2772 3.2879 4.2766 4.2946 5.4213 5.4302 6.7985 6.8016 7.1523 7.1666 8.2085 8.2132 13.7128 13.7320 14.2806 14.2807 17.3733 17.3813 18.4226 18.4322 k = 0.0000 0.3137-0.0000 ( 1458 PWs) bands (ev): -6.4244 -6.4123 -5.7933 -5.7198 -4.7399 -4.6410 -4.5568 -4.3808 -4.2993 -4.2786 -4.1796 -4.1111 -3.1220 -3.0281 3.2564 3.2682 4.2871 4.3029 5.3210 5.3302 6.8375 6.8408 7.0777 7.0920 8.1890 8.1937 13.8108 13.8307 14.3823 14.3826 17.3493 17.3589 18.3679 18.3796 k = 0.0000 0.3235-0.0000 ( 1454 PWs) bands (ev): -6.3920 -6.3785 -5.7965 -5.7232 -4.7365 -4.6418 -4.5427 -4.3788 -4.2983 -4.2796 -4.1734 -4.0946 -3.1358 -3.0397 3.2330 3.2458 4.3047 4.3181 5.2247 5.2345 6.8770 6.8805 7.0018 7.0161 8.1684 8.1732 13.9096 13.9303 14.4838 14.4846 17.3182 17.3295 18.3080 18.3217 k = 0.0000 0.3333-0.0000 ( 1450 PWs) bands (ev): -6.3601 -6.3450 -5.7999 -5.7269 -4.7330 -4.6429 -4.5281 -4.3771 -4.2973 -4.2805 -4.1660 -4.0770 -3.1516 -3.0532 3.2084 3.2219 4.3273 4.3384 5.1335 5.1441 6.9131 6.9205 6.9285 6.9391 8.1468 8.1516 14.0092 14.0306 14.5854 14.5866 17.2803 17.2935 18.2422 18.2578 k = 0.0000 0.3431-0.0000 ( 1450 PWs) bands (ev): -6.3287 -6.3120 -5.8036 -5.7310 -4.7294 -4.6441 -4.5135 -4.3756 -4.2963 -4.2812 -4.1572 -4.0583 -3.1693 -3.0688 3.1835 3.1976 4.3528 4.3612 5.0489 5.0607 6.8453 6.8605 6.9584 6.9614 8.1241 8.1290 14.1096 14.1317 14.6869 14.6886 17.2361 17.2511 18.1704 18.1875 k = 0.0000 0.3529-0.0000 ( 1454 PWs) bands (ev): -6.2981 -6.2797 -5.8077 -5.7356 -4.7258 -4.6453 -4.4990 -4.3743 -4.2953 -4.2819 -4.1467 -4.0384 -3.1890 -3.0863 3.1594 3.1738 4.3779 4.3834 4.9732 4.9868 6.7661 6.7812 6.9989 7.0022 8.1004 8.1053 14.2107 14.2336 14.7883 14.7904 17.1857 17.2026 18.0923 18.1105 k = 0.0000 0.3627-0.0000 ( 1454 PWs) bands (ev): -6.2682 -6.2480 -5.8119 -5.7407 -4.7220 -4.6466 -4.4848 -4.3732 -4.2942 -4.2824 -4.1345 -4.0174 -3.2106 -3.1058 3.1367 3.1513 4.3985 4.4005 4.9102 4.9261 6.6859 6.7010 7.0399 7.0434 8.0756 8.0806 14.3127 14.3362 14.8896 14.8921 17.1294 17.1483 18.0083 18.0270 k = 0.0000 0.3725-0.0000 ( 1454 PWs) bands (ev): -6.2392 -6.2172 -5.8165 -5.7462 -4.7182 -4.6480 -4.4712 -4.3723 -4.2931 -4.2828 -4.1202 -3.9953 -3.2340 -3.1271 3.1161 3.1305 4.4069 4.4086 4.8653 4.8840 6.6050 6.6200 7.0812 7.0848 8.0498 8.0548 14.4154 14.4396 14.9907 14.9936 17.0677 17.0885 17.9190 17.9378 k = 0.0000 0.3824-0.0000 ( 1454 PWs) bands (ev): -6.2111 -6.1873 -5.8213 -5.7521 -4.7144 -4.6494 -4.4585 -4.3716 -4.2921 -4.2830 -4.1037 -3.9721 -3.2591 -3.1503 3.0978 3.1120 4.3977 4.4024 4.8442 4.8650 6.5235 6.5386 7.1227 7.1263 8.0230 8.0279 14.5188 14.5436 15.0915 15.0948 17.0009 17.0235 17.8252 17.8435 k = 0.0000 0.3922-0.0000 ( 1454 PWs) bands (ev): -6.1841 -6.1586 -5.8265 -5.7586 -4.7106 -4.6509 -4.4466 -4.3711 -4.2910 -4.2832 -4.0849 -3.9479 -3.2858 -3.1751 3.0822 3.0960 4.3718 4.3782 4.8482 4.8701 6.4415 6.4566 7.1642 7.1679 7.9951 8.0001 14.6228 14.6482 15.1918 15.1954 16.9295 16.9537 17.7279 17.7453 k = 0.0000 0.4020-0.0000 ( 1456 PWs) bands (ev): -6.1583 -6.1310 -5.8319 -5.7656 -4.7068 -4.6524 -4.4359 -4.3709 -4.2899 -4.2833 -4.0639 -3.9229 -3.3138 -3.2016 3.0693 3.0826 4.3331 4.3400 4.8736 4.8952 6.3593 6.3745 7.2056 7.2094 7.9664 7.9713 14.7274 14.7533 15.2912 15.2953 16.8539 16.8797 17.6279 17.6441 k = 0.0000 0.4118-0.0000 ( 1458 PWs) bands (ev): -6.1337 -6.1048 -5.8376 -5.7731 -4.7030 -4.6540 -4.4263 -4.3709 -4.2889 -4.2833 -4.0405 -3.8972 -3.3429 -3.2294 3.0592 3.0718 4.2872 4.2938 4.9140 4.9350 6.2769 6.2921 7.2470 7.2509 7.9366 7.9416 14.8323 14.8588 15.3894 15.3938 16.7750 16.8023 17.5262 17.5411 k = 0.0000 0.4216-0.0000 ( 1458 PWs) bands (ev): -6.1104 -6.0801 -5.8434 -5.7812 -4.6993 -4.6557 -4.4178 -4.3710 -4.2879 -4.2832 -4.0150 -3.8711 -3.3725 -3.2585 3.0517 3.0634 4.2389 4.2450 4.9645 4.9846 6.1946 6.2098 7.2881 7.2921 7.9060 7.9109 14.9375 14.9644 15.4857 15.4904 16.6937 16.7222 17.4238 17.4372 k = 0.0000 0.4314-0.0000 ( 1458 PWs) bands (ev): -6.0884 -6.0571 -5.8494 -5.7898 -4.6957 -4.6575 -4.4104 -4.3714 -4.2870 -4.2831 -3.9876 -3.8452 -3.4023 -3.2885 3.0466 3.0573 4.1914 4.1969 5.0218 5.0411 6.1126 6.1278 7.3289 7.3330 7.8746 7.8794 15.0427 15.0700 15.5789 15.5838 16.6112 16.6407 17.3216 17.3335 k = 0.0000 0.4412-0.0000 ( 1458 PWs) bands (ev): -6.0679 -6.0360 -5.8551 -5.7989 -4.6922 -4.6594 -4.4039 -4.3720 -4.2861 -4.2831 -3.9586 -3.8202 -3.4313 -3.3193 3.0436 3.0532 4.1468 4.1517 5.0838 5.1023 6.0311 6.0463 7.3693 7.3734 7.8424 7.8472 15.1478 15.1752 15.6672 15.6721 16.5295 16.5596 17.2209 17.2312 k = 0.0000 0.4510-0.0000 ( 1458 PWs) bands (ev): -6.0489 -6.0174 -5.8604 -5.8085 -4.6887 -4.6614 -4.3984 -4.3728 -4.2854 -4.2830 -3.9284 -3.7971 -3.4583 -3.3504 3.0423 3.0506 4.1069 4.1111 5.1491 5.1669 5.9504 5.9656 7.4090 7.4131 7.8098 7.8145 15.2522 15.2796 15.7472 15.7516 16.4521 16.4819 17.1229 17.1316 k = 0.0000 0.4608-0.0000 ( 1458 PWs) bands (ev): -6.0315 -6.0018 -5.8647 -5.8185 -4.6854 -4.6635 -4.3936 -4.3737 -4.2848 -4.2829 -3.8975 -3.7779 -3.4814 -3.3814 3.0423 3.0492 4.0727 4.0762 5.2165 5.2335 5.8713 5.8863 7.4477 7.4517 7.7770 7.7816 15.3554 15.3826 15.8130 15.8155 16.3846 16.4128 17.0297 17.0368 k = 0.0000 0.4706-0.0000 ( 1458 PWs) bands (ev): -6.0160 -5.9900 -5.8671 -5.8287 -4.6822 -4.6658 -4.3895 -4.3750 -4.2842 -4.2829 -3.8666 -3.7651 -3.4980 -3.4117 3.0432 3.0484 4.0452 4.0479 5.2846 5.3007 5.7946 5.8092 7.4847 7.4886 7.7447 7.7490 15.4567 15.4832 15.8528 15.8544 16.3367 16.3603 16.9444 16.9499 k = 0.0000 0.4804-0.0000 ( 1458 PWs) bands (ev): -6.0026 -5.9829 -5.8669 -5.8389 -4.6791 -4.6682 -4.3860 -4.3765 -4.2838 -4.2829 -3.8366 -3.7616 -3.5051 -3.4404 3.0444 3.0480 4.0252 4.0270 5.3512 5.3656 5.7230 5.7365 7.5188 7.5223 7.7143 7.7181 15.5543 15.5796 15.8518 15.8602 16.3166 16.3326 16.8723 16.8760 k = 0.0000 0.4902-0.0000 ( 1458 PWs) bands (ev): -5.9918 -5.9811 -5.8634 -5.8486 -4.6762 -4.6707 -4.3830 -4.3784 -4.2834 -4.2830 -3.8088 -3.7686 -3.5012 -3.4663 3.0457 3.0475 4.0131 4.0141 5.4099 5.4203 5.6642 5.6742 7.5464 7.5489 7.6898 7.6923 15.6451 15.6673 15.8145 15.8285 16.3188 16.3264 16.8220 16.8239 k = 0.0000 0.5000-0.0000 ( 1432 PWs) bands (ev): -5.9842 -5.9842 -5.8570 -5.8570 -4.6733 -4.6733 -4.3804 -4.3804 -4.2830 -4.2830 -3.7852 -3.7852 -3.4873 -3.4873 3.0468 3.0468 4.0095 4.0095 5.4416 5.4416 5.6417 5.6417 7.5592 7.5592 7.6803 7.6803 15.7113 15.7113 15.7835 15.7835 16.3253 16.3253 16.8040 16.8040 k = 0.0000 0.5000-0.0000 ( 1432 PWs) bands (ev): -5.9842 -5.9842 -5.8570 -5.8570 -4.6733 -4.6733 -4.3804 -4.3804 -4.2830 -4.2830 -3.7852 -3.7852 -3.4873 -3.4873 3.0468 3.0468 4.0095 4.0095 5.4416 5.4416 5.6417 5.6417 7.5592 7.5592 7.6803 7.6803 15.7113 15.7113 15.7835 15.7835 16.3253 16.3253 16.8040 16.8040 k = 0.0098 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.9846 -5.9835 -5.8591 -5.8544 -4.6802 -4.6663 -4.3829 -4.3785 -4.2868 -4.2793 -3.7861 -3.7837 -3.4871 -3.4870 3.0470 3.0471 4.0095 4.0100 5.4420 5.4420 5.6420 5.6422 7.5559 7.5563 7.6744 7.6779 15.7100 15.7127 15.7781 15.7781 16.3235 16.3248 16.8085 16.8089 k = 0.0196 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.9843 -5.9820 -5.8604 -5.8512 -4.6868 -4.6590 -4.3856 -4.3768 -4.2902 -4.2754 -3.7860 -3.7812 -3.4861 -3.4858 3.0478 3.0480 4.0102 4.0111 5.4435 5.4437 5.6433 5.6437 7.5467 7.5476 7.6607 7.6676 15.7082 15.7138 15.7627 15.7628 16.3203 16.3229 16.8225 16.8234 k = 0.0294 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.9834 -5.9800 -5.8612 -5.8473 -4.6930 -4.6516 -4.3888 -4.3755 -4.2933 -4.2715 -3.7851 -3.7780 -3.4843 -3.4839 3.0492 3.0495 4.0115 4.0129 5.4462 5.4464 5.6455 5.6460 7.5317 7.5329 7.6391 7.6494 15.7034 15.7123 15.7376 15.7386 16.3171 16.3209 16.8461 16.8473 k = 0.0392 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.9819 -5.9773 -5.8613 -5.8428 -4.6990 -4.6439 -4.3924 -4.3743 -4.2960 -4.2677 -3.7832 -3.7741 -3.4819 -3.4813 3.0511 3.0515 4.0134 4.0153 5.4500 5.4502 5.6487 5.6494 7.5109 7.5125 7.6099 7.6236 15.6867 15.6956 15.7117 15.7131 16.3163 16.3213 16.8793 16.8809 k = 0.0490 0.5000-0.0000 ( 1454 PWs) bands (ev): -5.9799 -5.9741 -5.8607 -5.8378 -4.7046 -4.6361 -4.3965 -4.3734 -4.2983 -4.2639 -3.7804 -3.7693 -3.4787 -3.4780 3.0535 3.0539 4.0159 4.0182 5.4548 5.4550 5.6527 5.6536 7.4847 7.4868 7.5737 7.5906 15.6467 15.6517 15.6909 15.6983 16.3209 16.3270 16.9221 16.9240 k = 0.0588 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.9773 -5.9704 -5.8596 -5.8322 -4.7100 -4.6282 -4.4009 -4.3726 -4.3002 -4.2604 -3.7766 -3.7639 -3.4748 -3.4740 3.0562 3.0568 4.0189 4.0217 5.4606 5.4609 5.6577 5.6587 7.4532 7.4556 7.5305 7.5506 15.5922 15.5963 15.6649 15.6749 16.3337 16.3405 16.9745 16.9767 k = 0.0686 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.9741 -5.9661 -5.8579 -5.8261 -4.7149 -4.6201 -4.4058 -4.3720 -4.3017 -4.2571 -3.7719 -3.7578 -3.4702 -3.4693 3.0594 3.0600 4.0223 4.0256 5.4675 5.4678 5.6635 5.6647 7.4169 7.4197 7.4812 7.5042 15.5279 15.5317 15.6274 15.6389 16.3562 16.3636 17.0362 17.0386 k = 0.0784 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.9704 -5.9613 -5.8557 -5.8195 -4.7194 -4.6120 -4.4109 -4.3715 -4.3027 -4.2541 -3.7662 -3.7509 -3.4649 -3.4640 3.0628 3.0635 4.0262 4.0299 5.4753 5.4758 5.6702 5.6716 7.3762 7.3792 7.4261 7.4519 15.4549 15.4587 15.5772 15.5896 16.3886 16.3964 17.1070 17.1096 k = 0.0882 0.5000-0.0000 ( 1464 PWs) bands (ev): -5.9662 -5.9561 -5.8529 -5.8124 -4.7236 -4.6038 -4.4164 -4.3712 -4.3034 -4.2515 -3.7594 -3.7433 -3.4589 -3.4579 3.0663 3.0671 4.0303 4.0345 5.4842 5.4846 5.6777 5.6794 7.3313 7.3345 7.3661 7.3944 15.3742 15.3779 15.5144 15.5275 16.4293 16.4377 17.1865 17.1893 k = 0.0980 0.5000-0.0000 ( 1464 PWs) bands (ev): -5.9615 -5.9503 -5.8496 -5.8050 -4.7273 -4.5956 -4.4220 -4.3709 -4.3036 -4.2491 -3.7517 -3.7350 -3.4523 -3.4513 3.0698 3.0708 4.0347 4.0394 5.4940 5.4945 5.6861 5.6880 7.2828 7.2857 7.3020 7.3322 15.2866 15.2904 15.4403 15.4538 16.4761 16.4850 17.2743 17.2772 k = 0.1078 0.5000-0.0000 ( 1464 PWs) bands (ev): -5.9563 -5.9440 -5.8459 -5.7972 -4.7304 -4.5873 -4.4277 -4.3706 -4.3035 -4.2471 -3.7429 -3.7260 -3.4450 -3.4439 3.0733 3.0744 4.0393 4.0444 5.5047 5.5053 5.6952 5.6973 7.2294 7.2311 7.2384 7.2660 15.1930 15.1968 15.3563 15.3702 16.5259 16.5357 17.3699 17.3730 k = 0.1176 0.5000-0.0000 ( 1460 PWs) bands (ev): -5.9506 -5.9373 -5.8416 -5.7890 -4.7332 -4.5791 -4.4334 -4.3704 -4.3031 -4.2454 -3.7331 -3.7162 -3.4371 -3.4360 3.0766 3.0777 4.0440 4.0494 5.5163 5.5170 5.7052 5.7075 7.1597 7.1767 7.1824 7.1966 15.0940 15.0978 15.2637 15.2781 16.5757 16.5866 17.4728 17.4760 k = 0.1275 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.9445 -5.9302 -5.8370 -5.7807 -4.7353 -4.5710 -4.4390 -4.3701 -4.3023 -4.2440 -3.7223 -3.7057 -3.4287 -3.4275 3.0794 3.0807 4.0485 4.0544 5.5288 5.5295 5.7159 5.7185 7.0859 7.1198 7.1250 7.1258 14.9904 14.9942 15.1639 15.1788 16.6223 16.6342 17.5826 17.5858 k = 0.1373 0.5000-0.0000 ( 1464 PWs) bands (ev): -5.9380 -5.9227 -5.8321 -5.7722 -4.7371 -4.5630 -4.4447 -4.3699 -4.3014 -4.2430 -3.7105 -3.6945 -3.4196 -3.4184 3.0817 3.0830 4.0528 4.0591 5.5420 5.5428 5.7272 5.7301 7.0100 7.0500 7.0624 7.0677 14.8827 14.8865 15.0580 15.0734 16.6623 16.6753 17.6986 17.7019 k = 0.1471 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.9311 -5.9148 -5.8268 -5.7635 -4.7382 -4.5553 -4.4500 -4.3697 -4.3000 -4.2422 -3.6978 -3.6825 -3.4100 -3.4087 3.0831 3.0846 4.0568 4.0635 5.5561 5.5569 5.7393 5.7425 6.9330 6.9748 7.0030 7.0086 14.7718 14.7756 14.9471 14.9630 16.6932 16.7070 17.8203 17.8237 k = 0.1569 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.9238 -5.9066 -5.8212 -5.7547 -4.7387 -4.5480 -4.4550 -4.3695 -4.2984 -4.2417 -3.6841 -3.6697 -3.3999 -3.3985 3.0836 3.0852 4.0602 4.0673 5.5708 5.5717 5.7520 5.7555 6.8554 6.8988 6.9430 6.9488 14.6581 14.6619 14.8321 14.8484 16.7125 16.7266 17.9472 17.9506 k = 0.1667 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.9162 -5.8982 -5.8154 -5.7460 -4.7388 -4.5412 -4.4594 -4.3693 -4.2966 -4.2415 -3.6695 -3.6562 -3.3893 -3.3878 3.0829 3.0846 4.0630 4.0704 5.5863 5.5872 5.7653 5.7692 6.7780 6.8228 6.8829 6.8889 14.5422 14.5459 14.7136 14.7305 16.7189 16.7329 18.0788 18.0822 k = 0.1765 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.9083 -5.8895 -5.8093 -5.7372 -4.7382 -4.5353 -4.4630 -4.3691 -4.2945 -4.2415 -3.6541 -3.6418 -3.3782 -3.3766 3.0808 3.0827 4.0650 4.0727 5.6023 5.6033 5.7792 5.7834 6.7015 6.7475 6.8231 6.8293 14.4246 14.4283 14.5926 14.6099 16.7120 16.7254 18.2144 18.2178 k = 0.1863 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.9002 -5.8805 -5.8031 -5.7286 -4.7371 -4.5305 -4.4654 -4.3688 -4.2923 -4.2417 -3.6378 -3.6267 -3.3667 -3.3650 3.0770 3.0791 4.0659 4.0739 5.6189 5.6199 5.7935 5.7981 6.6263 6.6734 6.7642 6.7706 14.3057 14.3095 14.4695 14.4872 16.6924 16.7048 18.3536 18.3570 k = 0.1961 0.5000-0.0000 ( 1466 PWs) bands (ev): -5.8918 -5.8715 -5.7968 -5.7202 -4.7355 -4.5273 -4.4664 -4.3685 -4.2898 -4.2421 -3.6207 -3.6108 -3.3548 -3.3529 3.0714 3.0736 4.0655 4.0738 5.6360 5.6370 5.8083 5.8133 6.5531 6.6011 6.7067 6.7131 14.1860 14.1898 14.3448 14.3629 16.6610 16.6722 18.4950 18.4988 k = 0.2059 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.8833 -5.8623 -5.7902 -5.7119 -4.7333 -4.5258 -4.4655 -4.3680 -4.2871 -4.2426 -3.6028 -3.5940 -3.3425 -3.3404 3.0636 3.0660 4.0639 4.0724 5.6536 5.6546 5.8235 5.8289 6.4826 6.5314 6.6510 6.6575 14.0660 14.0698 14.2194 14.2378 16.6197 16.6295 18.4566 18.4589 k = 0.2157 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.8745 -5.8529 -5.7837 -5.7039 -4.7305 -4.5261 -4.4629 -4.3675 -4.2843 -4.2432 -3.5841 -3.5765 -3.3298 -3.3275 3.0536 3.0562 4.0606 4.0693 5.6716 5.6726 5.8390 5.8449 6.4152 6.4645 6.5975 6.6040 13.9460 13.9498 14.0936 14.1122 16.5698 16.5783 18.3921 18.3946 k = 0.2255 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.8657 -5.8436 -5.7770 -5.6962 -4.7273 -4.5278 -4.4589 -4.3669 -4.2813 -4.2439 -3.5648 -3.5581 -3.3169 -3.3143 3.0410 3.0439 4.0557 4.0645 5.6899 5.6909 5.8548 5.8612 6.3513 6.4011 6.5466 6.5531 13.8264 13.8301 13.9677 13.9866 16.5129 16.5202 18.3266 18.3292 k = 0.2353 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.8568 -5.8342 -5.7704 -5.6888 -4.7237 -4.5305 -4.4538 -4.3662 -4.2781 -4.2446 -3.5448 -3.5390 -3.3037 -3.3008 3.0258 3.0290 4.0489 4.0578 5.7085 5.7095 5.8708 5.8777 6.2915 6.3415 6.4986 6.5051 13.7075 13.7112 13.8423 13.8613 16.4506 16.4567 18.2604 18.2629 k = 0.2451 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.8478 -5.8250 -5.7636 -5.6817 -4.7196 -4.5339 -4.4481 -4.3654 -4.2748 -4.2453 -3.5243 -3.5192 -3.2903 -3.2869 3.0079 3.0114 4.0401 4.0491 5.7273 5.7282 5.8869 5.8944 6.2360 6.2862 6.4540 6.4604 13.5897 13.5934 13.7177 13.7368 16.3839 16.3891 18.1937 18.1962 k = 0.2549 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.8389 -5.8158 -5.7569 -5.6751 -4.7152 -4.5378 -4.4421 -4.3645 -4.2715 -4.2461 -3.5032 -3.4987 -3.2767 -3.2729 2.9871 2.9909 4.0293 4.0383 5.7462 5.7470 5.9031 5.9110 6.1853 6.2353 6.4129 6.4191 13.4731 13.4768 13.5943 13.6133 16.3141 16.3184 18.1269 18.1293 k = 0.2647 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.8299 -5.8068 -5.7502 -5.6689 -4.7105 -4.5419 -4.4359 -4.3635 -4.2681 -4.2468 -3.4817 -3.4775 -3.2630 -3.2586 2.9634 2.9676 4.0164 4.0253 5.7653 5.7659 5.9192 5.9276 6.1395 6.1892 6.3754 6.3815 13.3582 13.3619 13.4724 13.4913 16.2420 16.2456 18.0601 18.0624 k = 0.2745 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.8211 -5.7981 -5.7435 -5.6630 -4.7056 -4.5461 -4.4297 -4.3623 -4.2647 -4.2475 -3.4597 -3.4557 -3.2492 -3.2442 2.9369 2.9415 4.0014 4.0102 5.7844 5.7847 5.9351 5.9441 6.0989 6.1481 6.3418 6.3477 13.2452 13.2490 13.3523 13.3711 16.1685 16.1714 17.9936 17.9958 k = 0.2843 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.8123 -5.7896 -5.7367 -5.6576 -4.7004 -4.5504 -4.4235 -4.3610 -4.2612 -4.2481 -3.4374 -3.4334 -3.2354 -3.2297 2.9077 2.9126 3.9843 3.9930 5.8035 5.8035 5.9507 5.9600 6.0639 6.1121 6.3121 6.3178 13.1344 13.1382 13.2345 13.2530 16.0942 16.0967 17.9278 17.9299 k = 0.2941 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.8038 -5.7815 -5.7299 -5.6526 -4.6952 -4.5546 -4.4174 -4.3595 -4.2577 -4.2487 -3.4149 -3.4106 -3.2216 -3.2151 2.8760 2.8812 3.9653 3.9738 5.8220 5.8225 5.9658 5.9748 6.0351 6.0813 6.2863 6.2917 13.0261 13.0299 13.1192 13.1374 16.0199 16.0219 17.8629 17.8649 k = 0.3039 0.5000-0.0000 ( 1466 PWs) bands (ev): -5.7954 -5.7738 -5.7231 -5.6480 -4.6899 -4.5587 -4.4114 -4.3579 -4.2543 -4.2491 -3.3923 -3.3875 -3.2078 -3.2005 2.8418 2.8475 3.9445 3.9528 5.8401 5.8415 5.9801 5.9850 6.0159 6.0560 6.2642 6.2693 12.9206 12.9244 13.0066 13.0245 15.9460 15.9476 17.7991 17.8010 k = 0.3137 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.7872 -5.7665 -5.7163 -5.6438 -4.6845 -4.5628 -4.4056 -4.3562 -4.2510 -4.2494 -3.3695 -3.3642 -3.1941 -3.1859 2.8057 2.8117 3.9222 3.9302 5.8577 5.8603 5.9800 5.9922 6.0168 6.0372 6.2457 6.2505 12.8180 12.8219 12.8972 12.9145 15.8731 15.8744 17.7368 17.7386 k = 0.3235 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.7793 -5.7597 -5.7094 -5.6399 -4.6793 -4.5667 -4.4000 -4.3544 -4.2496 -4.2477 -3.3469 -3.3407 -3.1806 -3.1714 2.7679 2.7741 3.8984 3.9061 5.8744 5.8790 5.9687 5.9979 6.0288 6.0288 6.2306 6.2351 12.7187 12.7226 12.7912 12.8079 15.8015 15.8026 17.6760 17.6777 k = 0.3333 0.5000-0.0000 ( 1462 PWs) bands (ev): -5.7717 -5.7534 -5.7026 -5.6365 -4.6741 -4.5706 -4.3947 -4.3525 -4.2497 -4.2445 -3.3244 -3.3172 -3.1673 -3.1570 2.7287 2.7352 3.8736 3.8810 5.8895 5.8974 5.9610 5.9940 6.0338 6.0423 6.2185 6.2227 12.6228 12.6268 12.6889 12.7049 15.7318 15.7327 17.6171 17.6187 k = 0.3431 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.7644 -5.7475 -5.6958 -5.6333 -4.6690 -4.5742 -4.3895 -4.3505 -4.2496 -4.2415 -3.3022 -3.2939 -3.1542 -3.1428 2.6887 2.6953 3.8480 3.8551 5.9021 5.9156 5.9592 5.9880 6.0441 6.0557 6.2093 6.2131 12.5307 12.5347 12.5905 12.6058 15.6643 15.6650 17.5603 17.5618 k = 0.3529 0.5000-0.0000 ( 1458 PWs) bands (ev): -5.7575 -5.7421 -5.6891 -5.6306 -4.6642 -4.5778 -4.3846 -4.3485 -4.2493 -4.2387 -3.2805 -3.2710 -3.1414 -3.1289 2.6481 2.6549 3.8220 3.8286 5.9115 5.9334 5.9638 5.9842 6.0553 6.0684 6.2024 6.2060 12.4425 12.4467 12.4964 12.5109 15.5993 15.5998 17.5059 17.5072 k = 0.3627 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.7509 -5.7372 -5.6825 -5.6280 -4.6595 -4.5812 -4.3800 -4.3465 -4.2489 -4.2361 -3.2593 -3.2485 -3.1289 -3.1153 2.6075 2.6143 3.7958 3.8020 5.9185 5.9506 5.9738 5.9834 6.0661 6.0804 6.1977 6.2009 12.3586 12.3629 12.4069 12.4203 15.5370 15.5374 17.4539 17.4551 k = 0.3725 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.7448 -5.7327 -5.6761 -5.6259 -4.6551 -4.5845 -4.3755 -4.3446 -4.2482 -4.2337 -3.2389 -3.2268 -3.1168 -3.1020 2.5673 2.5741 3.7697 3.7755 5.9249 5.9667 5.9861 5.9869 6.0762 6.0914 6.1946 6.1976 12.2791 12.2836 12.3221 12.3345 15.4779 15.4782 17.4046 17.4058 k = 0.3824 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.7392 -5.7286 -5.6699 -5.6240 -4.6510 -4.5876 -4.3713 -4.3427 -4.2474 -4.2316 -3.2193 -3.2060 -3.1050 -3.0893 2.5280 2.5347 3.7442 3.7496 5.9320 5.9799 5.9936 6.0014 6.0853 6.1014 6.1930 6.1956 12.2043 12.2089 12.2424 12.2537 15.4222 15.4224 17.3583 17.3593 k = 0.3922 0.5000-0.0000 ( 1452 PWs) bands (ev): -5.7339 -5.7249 -5.6639 -5.6223 -4.6471 -4.5906 -4.3673 -4.3410 -4.2463 -4.2297 -3.2007 -3.1863 -3.0936 -3.0770 2.4900 2.4965 3.7195 3.7244 5.9403 5.9893 6.0064 6.0165 6.0935 6.1103 6.1924 6.1948 12.1344 12.1392 12.1682 12.1782 15.3700 15.3702 17.3150 17.3159 k = 0.4020 0.5000-0.0000 ( 1452 PWs) bands (ev): -5.7292 -5.7216 -5.6582 -5.6209 -4.6434 -4.5935 -4.3635 -4.3395 -4.2451 -4.2281 -3.1833 -3.1681 -3.0826 -3.0654 2.4538 2.4600 3.6959 3.7004 5.9498 5.9978 6.0210 6.0314 6.1006 6.1179 6.1925 6.1946 12.0697 12.0747 12.0995 12.1082 15.3217 15.3218 17.2749 17.2757 k = 0.4118 0.5000-0.0000 ( 1452 PWs) bands (ev): -5.7249 -5.7186 -5.6529 -5.6198 -4.6400 -4.5963 -4.3600 -4.3382 -4.2437 -4.2269 -3.1671 -3.1514 -3.0720 -3.0545 2.4197 2.4256 3.6737 3.6778 5.9604 6.0069 6.0354 6.0460 6.1066 6.1242 6.1931 6.1950 12.0102 12.0154 12.0366 12.0440 15.2773 15.2774 17.2382 17.2389 k = 0.4216 0.5000-0.0000 ( 1456 PWs) bands (ev): -5.7211 -5.7161 -5.6479 -5.6189 -4.6369 -4.5989 -4.3567 -4.3372 -4.2422 -4.2259 -3.1522 -3.1365 -3.0617 -3.0445 2.3881 2.3936 3.6531 3.6567 5.9717 6.0166 6.0492 6.0600 6.1116 6.1292 6.1940 6.1956 11.9563 11.9618 11.9799 11.9858 15.2372 15.2372 17.2050 17.2056 k = 0.4314 0.5000-0.0000 ( 1460 PWs) bands (ev): -5.7178 -5.7138 -5.6433 -5.6183 -4.6339 -4.6015 -4.3536 -4.3364 -4.2406 -4.2253 -3.1388 -3.1235 -3.0519 -3.0354 2.3595 2.3644 3.6344 3.6376 5.9836 6.0264 6.0619 6.0731 6.1156 6.1328 6.1948 6.1962 11.9082 11.9137 11.9294 11.9339 15.2014 15.2014 17.1754 17.1760 k = 0.4412 0.5000-0.0000 ( 1468 PWs) bands (ev): -5.7150 -5.7119 -5.6391 -5.6180 -4.6312 -4.6039 -4.3508 -4.3359 -4.2389 -4.2250 -3.1268 -3.1127 -3.0427 -3.0275 2.3340 2.3384 3.6178 3.6205 5.9956 6.0360 6.0733 6.0852 6.1189 6.1350 6.1955 6.1967 11.8660 11.8716 11.8854 11.8885 15.1700 15.1701 17.1495 17.1500 k = 0.4510 0.5000-0.0000 ( 1468 PWs) bands (ev): -5.7126 -5.7102 -5.6352 -5.6179 -4.6286 -4.6063 -4.3482 -4.3356 -4.2371 -4.2249 -3.1164 -3.1038 -3.0341 -3.0207 2.3120 2.3157 3.6035 3.6058 6.0075 6.0448 6.0833 6.0960 6.1217 6.1358 6.1961 6.1971 11.8299 11.8353 11.8480 11.8499 15.1433 15.1433 17.1274 17.1278 k = 0.4608 0.5000-0.0000 ( 1472 PWs) bands (ev): -5.7107 -5.7089 -5.6318 -5.6181 -4.6262 -4.6086 -4.3458 -4.3357 -4.2353 -4.2252 -3.1076 -3.0970 -3.0264 -3.0152 2.2938 2.2968 3.5916 3.5934 6.0190 6.0521 6.0918 6.1054 6.1243 6.1354 6.1964 6.1972 11.8003 11.8052 11.8173 11.8183 15.1213 15.1213 17.1093 17.1096 k = 0.4706 0.5000-0.0000 ( 1476 PWs) bands (ev): -5.7091 -5.7080 -5.6288 -5.6186 -4.6238 -4.6108 -4.3437 -4.3360 -4.2335 -4.2257 -3.1004 -3.0922 -3.0199 -3.0112 2.2794 2.2818 3.5823 3.5837 6.0297 6.0570 6.0990 6.1129 6.1267 6.1338 6.1965 6.1971 11.7772 11.7812 11.7933 11.7938 15.1041 15.1041 17.0951 17.0954 k = 0.4804 0.5000-0.0000 ( 1480 PWs) bands (ev): -5.7081 -5.7073 -5.6262 -5.6194 -4.6216 -4.6130 -4.3417 -4.3366 -4.2318 -4.2265 -3.0949 -3.0893 -3.0146 -3.0087 2.2692 2.2708 3.5756 3.5765 6.0394 6.0590 6.1054 6.1180 6.1288 6.1317 6.1964 6.1968 11.7608 11.7636 11.7761 11.7763 15.0918 15.0918 17.0850 17.0851 k = 0.4902 0.5000-0.0000 ( 1480 PWs) bands (ev): -5.7073 -5.7070 -5.6239 -5.6206 -4.6194 -4.6151 -4.3401 -4.3375 -4.2302 -4.2275 -3.0909 -3.0881 -3.0107 -3.0077 2.2632 2.2640 3.5717 3.5722 6.0476 6.0579 6.1113 6.1192 6.1301 6.1304 6.1964 6.1966 11.7512 11.7527 11.7658 11.7659 15.0844 15.0844 17.0789 17.0790 k = 0.5000 0.5000-0.0000 ( 1480 PWs) bands (ev): -5.7070 -5.7070 -5.6221 -5.6221 -4.6172 -4.6172 -4.3387 -4.3387 -4.2288 -4.2288 -3.0887 -3.0887 -3.0084 -3.0084 2.2614 2.2614 3.5705 3.5705 6.0539 6.0539 6.1163 6.1163 6.1304 6.1304 6.1964 6.1964 11.7485 11.7485 11.7624 11.7624 15.0819 15.0819 17.0769 17.0769 k = 0.5000 0.5000-0.0000 ( 1480 PWs) bands (ev): -5.7070 -5.7070 -5.6221 -5.6221 -4.6172 -4.6172 -4.3387 -4.3387 -4.2288 -4.2288 -3.0887 -3.0887 -3.0084 -3.0084 2.2614 2.2614 3.5705 3.5705 6.0539 6.0539 6.1163 6.1163 6.1304 6.1304 6.1964 6.1964 11.7485 11.7485 11.7624 11.7624 15.0819 15.0819 17.0769 17.0769 k = 0.4930 0.4930-0.0000 ( 1480 PWs) bands (ev): -5.7073 -5.7070 -5.6240 -5.6205 -4.6194 -4.6151 -4.3401 -4.3375 -4.2302 -4.2275 -3.0910 -3.0881 -3.0108 -3.0077 2.2633 2.2641 3.5718 3.5722 6.0474 6.0579 6.1113 6.1189 6.1299 6.1309 6.1964 6.1966 11.7513 11.7527 11.7660 11.7661 15.0845 15.0845 17.0790 17.0791 k = 0.4859 0.4859-0.0000 ( 1480 PWs) bands (ev): -5.7080 -5.7074 -5.6263 -5.6194 -4.6216 -4.6129 -4.3418 -4.3366 -4.2319 -4.2264 -3.0951 -3.0897 -3.0147 -3.0082 2.2695 2.2711 3.5758 3.5768 6.0386 6.0587 6.1048 6.1153 6.1289 6.1349 6.1966 6.1972 11.7603 11.7623 11.7775 11.7785 15.0921 15.0921 17.0853 17.0854 k = 0.4789 0.4789-0.0000 ( 1476 PWs) bands (ev): -5.7091 -5.7082 -5.6289 -5.6185 -4.6239 -4.6107 -4.3438 -4.3360 -4.2336 -4.2256 -3.1015 -3.0941 -3.0197 -3.0093 2.2800 2.2824 3.5828 3.5842 6.0274 6.0550 6.0957 6.1059 6.1294 6.1418 6.1974 6.1987 11.7740 11.7759 11.7985 11.8010 15.1048 15.1048 17.0958 17.0960 k = 0.4718 0.4718-0.0000 ( 1472 PWs) bands (ev): -5.7104 -5.7094 -5.6320 -5.6180 -4.6262 -4.6086 -4.3459 -4.3356 -4.2356 -4.2250 -3.1108 -3.1021 -3.0249 -3.0101 2.2948 2.2980 3.5927 3.5945 6.0133 6.0461 6.0828 6.0922 6.1331 6.1505 6.1993 6.2015 11.7918 11.7934 11.8292 11.8333 15.1223 15.1224 17.1105 17.1108 k = 0.4648 0.4648-0.0000 ( 1472 PWs) bands (ev): -5.7122 -5.7112 -5.6356 -5.6179 -4.6285 -4.6064 -4.3484 -4.3355 -4.2376 -4.2247 -3.1238 -3.1142 -3.0295 -3.0099 2.3138 2.3177 3.6055 3.6077 5.9960 6.0321 6.0656 6.0743 6.1402 6.1606 6.2028 6.2061 11.8139 11.8154 11.8691 11.8747 15.1447 15.1447 17.1294 17.1298 k = 0.4577 0.4577-0.0000 ( 1472 PWs) bands (ev): -5.7143 -5.7135 -5.6396 -5.6179 -4.6310 -4.6043 -4.3511 -4.3357 -4.2397 -4.2246 -3.1411 -3.1308 -3.0329 -3.0082 2.3366 2.3412 3.6212 3.6238 5.9752 6.0133 6.0443 6.0527 6.1501 6.1723 6.2083 6.2129 11.8405 11.8419 11.9178 11.9247 15.1716 15.1716 17.1526 17.1531 k = 0.4507 0.4507-0.0000 ( 1468 PWs) bands (ev): -5.7168 -5.7164 -5.6439 -5.6183 -4.6334 -4.6021 -4.3540 -4.3361 -4.2418 -4.2247 -3.1625 -3.1516 -3.0347 -3.0053 2.3632 2.3685 3.6398 3.6429 5.9512 5.9905 6.0192 6.0275 6.1624 6.1855 6.2160 6.2218 11.8717 11.8730 11.9749 11.9830 15.2029 15.2030 17.1800 17.1806 k = 0.4437 0.4437-0.0000 ( 1460 PWs) bands (ev): -5.7199 -5.7197 -5.6486 -5.6188 -4.6360 -4.5999 -4.3571 -4.3368 -4.2440 -4.2250 -3.1879 -3.1761 -3.0352 -3.0012 2.3932 2.3992 3.6614 3.6649 5.9237 5.9640 5.9906 5.9988 6.1769 6.2003 6.2260 6.2331 11.9074 11.9087 12.0398 12.0490 15.2383 15.2384 17.2116 17.2122 k = 0.4366 0.4366-0.0000 ( 1456 PWs) bands (ev): -5.7241 -5.7231 -5.6537 -5.6196 -4.6387 -4.5978 -4.3605 -4.3378 -4.2461 -4.2256 -3.2168 -3.2041 -3.0344 -2.9961 2.4265 2.4331 3.6859 3.6898 5.8933 5.9343 5.9586 5.9670 6.1931 6.2166 6.2383 6.2464 11.9476 11.9489 12.1122 12.1224 15.2776 15.2778 17.2473 17.2480 k = 0.4296 0.4296-0.0000 ( 1456 PWs) bands (ev): -5.7290 -5.7271 -5.6592 -5.6205 -4.6416 -4.5957 -4.3640 -4.3390 -4.2483 -4.2264 -3.2488 -3.2350 -3.0326 -2.9904 2.4628 2.4699 3.7134 3.7177 5.8602 5.9019 5.9236 5.9321 6.2111 6.2344 6.2529 6.2618 11.9922 11.9935 12.1916 12.2025 15.3204 15.3207 17.2872 17.2879 k = 0.4225 0.4225-0.0000 ( 1449 PWs) bands (ev): -5.7348 -5.7317 -5.6648 -5.6215 -4.6446 -4.5936 -4.3677 -4.3404 -4.2504 -4.2274 -3.2835 -3.2684 -3.0300 -2.9840 2.5017 2.5094 3.7440 3.7486 5.8249 5.8673 5.8858 5.8946 6.2309 6.2538 6.2697 6.2793 12.0411 12.0424 12.2774 12.2891 15.3666 15.3668 17.3312 17.3320 k = 0.4155 0.4155-0.0000 ( 1453 PWs) bands (ev): -5.7415 -5.7371 -5.6706 -5.6227 -4.6477 -4.5916 -4.3716 -4.3421 -4.2525 -4.2287 -3.3204 -3.3041 -3.0267 -2.9773 2.5431 2.5512 3.7775 3.7824 5.7876 5.8306 5.8454 5.8545 6.2523 6.2746 6.2887 6.2987 12.0942 12.0955 12.3692 12.3814 15.4156 15.4160 17.3792 17.3800 k = 0.4085 0.4085-0.0000 ( 1449 PWs) bands (ev): -5.7491 -5.7435 -5.6763 -5.6240 -4.6509 -4.5896 -4.3758 -4.3439 -4.2545 -4.2301 -3.3592 -3.3415 -3.0229 -2.9703 2.5866 2.5951 3.8140 3.8193 5.7489 5.7925 5.8031 5.8124 6.2753 6.2969 6.3098 6.3199 12.1513 12.1526 12.4665 12.4791 15.4672 15.4677 17.4312 17.4321 k = 0.4014 0.4014-0.0000 ( 1453 PWs) bands (ev): -5.7577 -5.7510 -5.6820 -5.6254 -4.6543 -4.5878 -4.3801 -4.3460 -4.2564 -4.2317 -3.3996 -3.3804 -3.0187 -2.9630 2.6319 2.6408 3.8534 3.8590 5.7090 5.7523 5.7597 5.7684 6.2999 6.3207 6.3328 6.3430 12.2123 12.2136 12.5686 12.5817 15.5212 15.5217 17.4871 17.4879 k = 0.3944 0.3944-0.0000 ( 1455 PWs) bands (ev): -5.7674 -5.7598 -5.6875 -5.6268 -4.6579 -4.5861 -4.3846 -4.3483 -4.2582 -4.2334 -3.4411 -3.4204 -3.0141 -2.9557 2.6787 2.6879 3.8959 3.9017 5.6681 5.7083 5.7176 5.7230 6.3261 6.3460 6.3579 6.3678 12.2769 12.2782 12.6752 12.6885 15.5771 15.5777 17.5467 17.5476 k = 0.3873 0.3873-0.0000 ( 1463 PWs) bands (ev): -5.7783 -5.7699 -5.6928 -5.6283 -4.6616 -4.5845 -4.3893 -4.3507 -4.2599 -4.2353 -3.4835 -3.4612 -3.0093 -2.9483 2.7268 2.7363 3.9412 3.9473 5.6265 5.6609 5.6765 5.6772 6.3539 6.3728 6.3847 6.3944 12.3450 12.3462 12.7856 12.7990 15.6346 15.6353 17.6099 17.6108 k = 0.3803 0.3803-0.0000 ( 1455 PWs) bands (ev): -5.7903 -5.7815 -5.6976 -5.6297 -4.6653 -4.5830 -4.3941 -4.3532 -4.2613 -4.2372 -3.5265 -3.5024 -3.0043 -2.9409 2.7760 2.7856 3.9895 3.9958 5.5843 5.6118 5.6297 5.6375 6.3833 6.4012 6.4135 6.4228 12.4163 12.4175 12.8993 12.9127 15.6934 15.6943 17.6767 17.6775 k = 0.3732 0.3732-0.0000 ( 1455 PWs) bands (ev): -5.8036 -5.7945 -5.7021 -5.6312 -4.6692 -4.5817 -4.3993 -4.3558 -4.2626 -4.2393 -3.5697 -3.5439 -2.9992 -2.9336 2.8259 2.8357 4.0406 4.0471 5.5412 5.5617 5.5834 5.5983 6.4141 6.4310 6.4437 6.4526 12.4904 12.4916 13.0156 13.0289 15.7533 15.7543 17.7467 17.7475 k = 0.3662 0.3662-0.0000 ( 1455 PWs) bands (ev): -5.8181 -5.8091 -5.7063 -5.6327 -4.6732 -4.5807 -4.4047 -4.3585 -4.2637 -4.2414 -3.6129 -3.5852 -2.9942 -2.9265 2.8763 2.8861 4.0945 4.1012 5.4968 5.5109 5.5385 5.5599 6.4463 6.4622 6.4756 6.4841 12.5671 12.5683 13.1340 13.1470 15.8140 15.8151 17.8197 17.8204 k = 0.3592 0.3592-0.0000 ( 1447 PWs) bands (ev): -5.8340 -5.8252 -5.7101 -5.6342 -4.6772 -4.5799 -4.4104 -4.3611 -4.2645 -4.2436 -3.6557 -3.6261 -2.9891 -2.9196 2.9270 2.9368 4.1510 4.1579 5.4511 5.4599 5.4958 5.5225 6.4799 6.4950 6.5090 6.5171 12.6460 12.6472 13.2537 13.2665 15.8751 15.8764 17.8956 17.8962 k = 0.3521 0.3521-0.0000 ( 1447 PWs) bands (ev): -5.8512 -5.8427 -5.7138 -5.6358 -4.6814 -4.5794 -4.4164 -4.3638 -4.2652 -4.2458 -3.6981 -3.6664 -2.9842 -2.9131 2.9776 2.9875 4.2099 4.2170 5.4042 5.4091 5.4559 5.4864 6.5149 6.5291 6.5438 6.5515 12.7267 12.7277 13.3741 13.3864 15.9364 15.9378 17.9740 17.9744 k = 0.3451 0.3451-0.0000 ( 1447 PWs) bands (ev): -5.8698 -5.8618 -5.7172 -5.6374 -4.6856 -4.5793 -4.4227 -4.3664 -4.2656 -4.2481 -3.7396 -3.7058 -2.9795 -2.9069 3.0281 3.0378 4.2711 4.2784 5.3568 5.3590 5.4185 5.4517 6.5513 6.5647 6.5801 6.5874 12.8086 12.8096 13.4944 13.5062 15.9977 15.9992 18.0545 18.0548 k = 0.3380 0.3380-0.0000 ( 1441 PWs) bands (ev): -5.8899 -5.8823 -5.7204 -5.6389 -4.6897 -4.5796 -4.4293 -4.3690 -4.2657 -4.2504 -3.7801 -3.7441 -2.9750 -2.9011 3.0781 3.0876 4.3343 4.3418 5.3099 5.3099 5.3837 5.4188 6.5889 6.6015 6.6177 6.6247 12.8912 12.8922 13.6139 13.6250 16.0587 16.0603 18.1370 18.1371 k = 0.3310 0.3310-0.0000 ( 1443 PWs) bands (ev): -5.9113 -5.9043 -5.7234 -5.6406 -4.6939 -4.5804 -4.4363 -4.3714 -4.2657 -4.2528 -3.8194 -3.7812 -2.9708 -2.8957 3.1273 3.1366 4.3991 4.4069 5.2627 5.2644 5.3513 5.3877 6.6277 6.6397 6.6565 6.6633 12.9740 12.9750 13.7315 13.7418 16.1193 16.1210 18.2209 18.2210 k = 0.3239 0.3239-0.0000 ( 1443 PWs) bands (ev): -5.9342 -5.9277 -5.7263 -5.6422 -4.6981 -4.5816 -4.4437 -4.3737 -4.2654 -4.2552 -3.8574 -3.8168 -2.9670 -2.8909 3.1755 3.1846 4.4651 4.4733 5.2179 5.2211 5.3212 5.3587 6.6677 6.6791 6.6966 6.7031 13.0564 13.0572 13.8463 13.8557 16.1792 16.1811 18.3056 18.3061 k = 0.3169 0.3169-0.0000 ( 1443 PWs) bands (ev): -5.9585 -5.9525 -5.7291 -5.6438 -4.7023 -4.5833 -4.4513 -4.3758 -4.2649 -4.2576 -3.8937 -3.8508 -2.9636 -2.8866 3.2223 3.2312 4.5314 4.5401 5.1768 5.1814 5.2937 5.3318 6.7088 6.7197 6.7379 6.7442 13.1374 13.1383 13.9571 13.9656 16.2385 16.2405 18.3910 18.3918 k = 0.3099 0.3099-0.0000 ( 1447 PWs) bands (ev): -5.9842 -5.9788 -5.7318 -5.6455 -4.7064 -4.5855 -4.4593 -4.3778 -4.2642 -4.2601 -3.9284 -3.8832 -2.9607 -2.8829 3.2675 3.2761 4.5968 4.6061 5.1409 5.1468 5.2687 5.3074 6.7510 6.7613 6.7803 6.7864 13.2164 13.2172 14.0630 14.0704 16.2970 16.2991 18.4766 18.4777 k = 0.3028 0.3028-0.0000 ( 1447 PWs) bands (ev): -6.0112 -6.0063 -5.7343 -5.6473 -4.7104 -4.5883 -4.4676 -4.3795 -4.2632 -4.2625 -3.9613 -3.9138 -2.9583 -2.8798 3.3107 3.3189 4.6593 4.6693 5.1126 5.1199 5.2464 5.2854 6.7942 6.8041 6.8238 6.8297 13.2926 13.2933 14.1625 14.1688 16.3548 16.3570 18.5617 18.5634 k = 0.2958 0.2958-0.0000 ( 1447 PWs) bands (ev): -6.0396 -6.0351 -5.7367 -5.6490 -4.7143 -4.5916 -4.4761 -4.3810 -4.2650 -4.2620 -3.9923 -3.9426 -2.9563 -2.8774 3.3513 3.3591 4.7154 4.7261 5.0961 5.1046 5.2269 5.2660 6.8384 6.8478 6.8683 6.8740 13.3650 13.3656 14.2543 14.2595 16.4120 16.4143 18.6458 18.6480 k = 0.2887 0.2887-0.0000 ( 1447 PWs) bands (ev): -6.0692 -6.0652 -5.7390 -5.6508 -4.7181 -4.5954 -4.4848 -4.3822 -4.2675 -4.2605 -4.0213 -3.9696 -2.9550 -2.8757 3.3890 3.3964 4.7603 4.7710 5.0972 5.1061 5.2103 5.2493 6.8834 6.8924 6.9137 6.9193 13.4325 13.4332 14.3371 14.3411 16.4688 16.4711 18.7279 18.7307 k = 0.2817 0.2817-0.0000 ( 1449 PWs) bands (ev): -6.1000 -6.0963 -5.7412 -5.6526 -4.7218 -4.5998 -4.4936 -4.3833 -4.2700 -4.2590 -4.0484 -3.9948 -2.9543 -2.8747 3.4231 3.4301 4.7897 4.7994 5.1212 5.1287 5.1971 5.2353 6.9292 6.9379 6.9600 6.9655 13.4943 13.4949 14.4094 14.4123 16.5254 16.5278 18.8066 18.8103 k = 0.2746 0.2746-0.0000 ( 1445 PWs) bands (ev): -6.1318 -6.1286 -5.7432 -5.6544 -4.7253 -4.6046 -4.5024 -4.3841 -4.2725 -4.2572 -4.0734 -4.0183 -2.9541 -2.8744 3.4533 3.4598 4.8046 4.8122 5.1666 5.1676 5.1931 5.2243 6.9758 6.9841 7.0071 7.0125 13.5493 13.5498 14.4699 14.4718 16.5822 16.5846 18.8799 18.8846 k = 0.2676 0.2676-0.0000 ( 1449 PWs) bands (ev): -6.1647 -6.1618 -5.7452 -5.6563 -4.7287 -4.6098 -4.5113 -4.3848 -4.2751 -4.2553 -4.0964 -4.0401 -2.9546 -2.8748 3.4789 3.4849 4.8104 4.8158 5.1731 5.2161 5.2306 5.2398 7.0230 7.0310 7.0548 7.0601 13.5966 13.5970 14.5170 14.5180 16.6395 16.6420 18.9434 18.9493 k = 0.2606 0.2606-0.0000 ( 1449 PWs) bands (ev): -6.1985 -6.1959 -5.7471 -5.6582 -4.7319 -4.6155 -4.5200 -4.3853 -4.2777 -4.2533 -4.1174 -4.0602 -2.9558 -2.8760 3.4994 3.5050 4.8130 4.8167 5.1693 5.2109 5.3041 5.3107 7.0708 7.0785 7.1033 7.1085 13.6352 13.6356 14.5499 14.5502 16.6979 16.7003 18.9899 18.9971 k = 0.2535 0.2535-0.0000 ( 1453 PWs) bands (ev): -6.2330 -6.2307 -5.7489 -5.6602 -4.7349 -4.6214 -4.5285 -4.3857 -4.2803 -4.2511 -4.1365 -4.0789 -2.9576 -2.8780 3.5145 3.5196 4.8167 4.8190 5.1676 5.2087 5.3843 5.3895 7.1191 7.1265 7.1523 7.1574 13.6643 13.6647 14.5675 14.5677 16.7576 16.7600 19.0089 19.0172 k = 0.2465 0.2465-0.0000 ( 1453 PWs) bands (ev): -6.2683 -6.2661 -5.7506 -5.6622 -4.7378 -4.6276 -4.5368 -4.3861 -4.2830 -4.2489 -4.1536 -4.0961 -2.9600 -2.8807 3.5241 3.5287 4.8240 4.8252 5.1687 5.2094 5.4691 5.4734 7.1678 7.1750 7.2018 7.2069 13.6834 13.6837 14.5695 14.5700 16.8189 16.8213 18.9938 19.0019 k = 0.2394 0.2394-0.0000 ( 1453 PWs) bands (ev): -6.3040 -6.3021 -5.7522 -5.6642 -4.7405 -4.6340 -4.5446 -4.3864 -4.2857 -4.2465 -4.1688 -4.1120 -2.9631 -2.8841 3.5279 3.5321 4.8361 4.8364 5.1727 5.2131 5.5571 5.5609 7.2169 7.2238 7.2518 7.2568 13.6919 13.6922 14.5562 14.5568 16.8820 16.8844 18.9494 18.9566 k = 0.2324 0.2324-0.0000 ( 1445 PWs) bands (ev): -6.3402 -6.3384 -5.7535 -5.6662 -4.7430 -4.6405 -4.5520 -4.3869 -4.2884 -4.2441 -4.1822 -4.1266 -2.9668 -2.8882 3.5262 3.5301 4.8534 4.8537 5.1797 5.2197 5.6477 5.6511 7.2663 7.2730 7.3021 7.3070 13.6898 13.6901 14.5280 14.5284 16.9468 16.9491 18.8866 18.8927 k = 0.2254 0.2254-0.0000 ( 1445 PWs) bands (ev): -6.3766 -6.3750 -5.7549 -5.6683 -4.7454 -4.6470 -4.5590 -4.3874 -4.2911 -4.2416 -4.1939 -4.1401 -2.9711 -2.8931 3.5193 3.5228 4.8760 4.8768 5.1896 5.2293 5.7403 5.7434 7.3158 7.3222 7.3526 7.3574 13.6768 13.6771 14.4856 14.4856 17.0128 17.0150 18.8139 18.8189 k = 0.2183 0.2183-0.0000 ( 1449 PWs) bands (ev): -6.4132 -6.4117 -5.7561 -5.6705 -4.7477 -4.6536 -4.5654 -4.3882 -4.2938 -4.2392 -4.2040 -4.1527 -2.9761 -2.8986 3.5078 3.5110 4.9041 4.9052 5.2025 5.2417 5.8346 5.8376 7.3654 7.3715 7.4033 7.4080 13.6533 13.6536 14.4293 14.4299 17.0791 17.0812 18.7368 18.7410 k = 0.2113 0.2113-0.0000 ( 1447 PWs) bands (ev): -6.4498 -6.4485 -5.7573 -5.6727 -4.7499 -4.6602 -4.5712 -4.3891 -4.2964 -4.2366 -4.2126 -4.1642 -2.9815 -2.9048 3.4921 3.4950 4.9373 4.9386 5.2183 5.2570 5.9305 5.9333 7.4149 7.4208 7.4539 7.4585 13.6196 13.6198 14.3609 14.3623 17.1445 17.1465 18.6592 18.6627 k = 0.2042 0.2042-0.0000 ( 1447 PWs) bands (ev): -6.4864 -6.4852 -5.7583 -5.6749 -4.7519 -4.6666 -4.5764 -4.3904 -4.2988 -4.2342 -4.2198 -4.1750 -2.9875 -2.9116 3.4729 3.4756 4.9750 4.9765 5.2368 5.2750 6.0276 6.0303 7.4643 7.4699 7.5046 7.5090 13.5763 13.5764 14.2818 14.2840 17.2070 17.2088 18.5846 18.5876 k = 0.1972 0.1972-0.0000 ( 1447 PWs) bands (ev): -6.5227 -6.5216 -5.7591 -5.6771 -4.7538 -4.6729 -4.5809 -4.3919 -4.3011 -4.2317 -4.2258 -4.1850 -2.9940 -2.9191 3.4509 3.4534 5.0167 5.0182 5.2581 5.2957 6.1259 6.1285 7.5134 7.5187 7.5550 7.5593 13.5239 13.5240 14.1934 14.1965 17.2639 17.2656 18.5164 18.5190 k = 0.1901 0.1901-0.0000 ( 1451 PWs) bands (ev): -6.5587 -6.5577 -5.7599 -5.6793 -4.7556 -4.6790 -4.5847 -4.3938 -4.3032 -4.2308 -4.2294 -4.1942 -3.0009 -2.9270 3.4265 3.4289 5.0618 5.0632 5.2820 5.3189 6.2251 6.2277 7.5621 7.5672 7.6052 7.6094 13.4631 13.4632 14.0972 14.1012 17.3115 17.3130 18.4586 18.4608 k = 0.1831 0.1831-0.0000 ( 1451 PWs) bands (ev): -6.5943 -6.5933 -5.7606 -5.6816 -4.7573 -4.6850 -4.5878 -4.3960 -4.3050 -4.2347 -4.2271 -4.2028 -3.0082 -2.9355 3.4004 3.4027 5.1097 5.1110 5.3084 5.3446 6.3253 6.3279 7.6105 7.6152 7.6550 7.6590 13.3947 13.3948 13.9944 13.9994 17.3456 17.3469 18.4156 18.4176 k = 0.1761 0.1761-0.0000 ( 1443 PWs) bands (ev): -6.6293 -6.6284 -5.7610 -5.6839 -4.7588 -4.6907 -4.5902 -4.3984 -4.3066 -4.2377 -4.2250 -4.2106 -3.0159 -2.9444 3.3731 3.3752 5.1598 5.1610 5.3372 5.3726 6.4264 6.4289 7.6583 7.6628 7.7044 7.7082 13.3197 13.3197 13.8865 13.8924 17.3617 17.3627 18.3919 18.3937 k = 0.1690 0.1690-0.0000 ( 1443 PWs) bands (ev): -6.6636 -6.6628 -5.7614 -5.6862 -4.7603 -4.6962 -4.5920 -4.4011 -4.3079 -4.2400 -4.2239 -4.2170 -3.0239 -2.9538 3.3449 3.3469 5.2118 5.2126 5.3683 5.4027 6.5280 6.5305 7.7053 7.7095 7.7531 7.7567 13.2385 13.2385 13.7745 13.7812 17.3570 17.3578 18.3904 18.3921 k = 0.1620 0.1620-0.0000 ( 1445 PWs) bands (ev): -6.6973 -6.6965 -5.7618 -5.6885 -4.7617 -4.7014 -4.5931 -4.4040 -4.3091 -4.2417 -4.2273 -4.2186 -3.0321 -2.9635 3.3163 3.3182 5.2651 5.2656 5.4014 5.4349 6.6302 6.6327 7.7515 7.7554 7.8010 7.8044 13.1520 13.1520 13.6596 13.6671 17.3312 17.3318 18.4112 18.4128 k = 0.1549 0.1549-0.0000 ( 1451 PWs) bands (ev): -6.7300 -6.7293 -5.7620 -5.6909 -4.7631 -4.7065 -4.5935 -4.4072 -4.3100 -4.2428 -4.2333 -4.2172 -3.0405 -2.9735 3.2874 3.2893 5.3192 5.3193 5.4365 5.4687 6.7328 6.7352 7.7968 7.8004 7.8481 7.8513 13.0608 13.0609 13.5427 13.5509 17.2871 17.2874 18.4516 18.4532 k = 0.1479 0.1479-0.0000 ( 1451 PWs) bands (ev): -6.7619 -6.7612 -5.7621 -5.6933 -4.7644 -4.7113 -4.5933 -4.4105 -4.3108 -4.2433 -4.2394 -4.2154 -3.0490 -2.9837 3.2588 3.2606 5.3734 5.3739 5.4734 5.5044 6.8356 6.8380 7.8411 7.8444 7.8943 7.8973 12.9659 12.9660 13.4249 13.4337 17.2286 17.2287 18.5076 18.5092 k = 0.1408 0.1408-0.0000 ( 1451 PWs) bands (ev): -6.7927 -6.7921 -5.7620 -5.6957 -4.7655 -4.7158 -4.5925 -4.4139 -4.3115 -4.2452 -4.2434 -4.2136 -3.0576 -2.9942 3.2305 3.2322 5.4275 5.4288 5.5120 5.5414 6.9386 6.9410 7.8842 7.8872 7.9394 7.9422 12.8677 12.8678 13.3070 13.3163 17.1599 17.1599 18.5749 18.5765 k = 0.1338 0.1338-0.0000 ( 1451 PWs) bands (ev): -6.8225 -6.8220 -5.7619 -5.6981 -4.7666 -4.7202 -4.5911 -4.4174 -4.3120 -4.2507 -4.2431 -4.2119 -3.0661 -3.0047 3.2027 3.2044 5.4813 5.4835 5.5520 5.5796 7.0415 7.0438 7.9261 7.9288 7.9833 7.9858 12.7669 12.7671 13.1896 13.1994 17.0844 17.0846 18.6501 18.6516 k = 0.1268 0.1268-0.0000 ( 1447 PWs) bands (ev): -6.8511 -6.8506 -5.7616 -5.7004 -4.7676 -4.7243 -4.5892 -4.4211 -4.3125 -4.2559 -4.2423 -4.2103 -3.0746 -3.0153 3.1757 3.1773 5.5342 5.5376 5.5933 5.6188 7.1443 7.1466 7.9666 7.9690 8.0259 8.0282 12.6643 12.6645 13.0736 13.0838 17.0049 17.0052 18.7303 18.7319 k = 0.1197 0.1197-0.0000 ( 1455 PWs) bands (ev): -6.8786 -6.8781 -5.7613 -5.7029 -4.7685 -4.7282 -4.5868 -4.4248 -4.3129 -4.2608 -4.2414 -4.2088 -3.0830 -3.0260 3.1496 3.1511 5.5860 5.5909 5.6356 5.6587 7.2463 7.2486 8.0054 8.0076 8.0670 8.0690 12.5601 12.5603 12.9596 12.9700 16.9235 16.9239 18.8135 18.8150 k = 0.1127 0.1127-0.0000 ( 1455 PWs) bands (ev): -6.9047 -6.9042 -5.7608 -5.7053 -4.7693 -4.7318 -4.5839 -4.4287 -4.3133 -4.2654 -4.2401 -4.2075 -3.0912 -3.0366 3.1245 3.1259 5.6363 5.6431 5.6788 5.6990 7.3479 7.3501 8.0428 8.0447 8.1066 8.1083 12.4553 12.4555 12.8482 12.8588 16.8417 16.8422 18.8979 18.8994 k = 0.1056 0.1056-0.0000 ( 1451 PWs) bands (ev): -6.9295 -6.9291 -5.7602 -5.7076 -4.7700 -4.7352 -4.5806 -4.4325 -4.3136 -4.2698 -4.2386 -4.2063 -3.0990 -3.0470 3.1005 3.1018 5.6849 5.6938 5.7226 5.7394 7.4484 7.4506 8.0784 8.0800 8.1445 8.1460 12.3503 12.3506 12.7402 12.7507 16.7609 16.7614 18.9824 18.9839 k = 0.0986 0.0986-0.0000 ( 1457 PWs) bands (ev): -6.9530 -6.9526 -5.7596 -5.7101 -4.7706 -4.7385 -4.5769 -4.4366 -4.3139 -4.2739 -4.2369 -4.2053 -3.1067 -3.0573 3.0777 3.0790 5.7314 5.7428 5.7665 5.7797 7.5475 7.5496 8.1121 8.1135 8.1804 8.1818 12.2458 12.2461 12.6358 12.6463 16.6818 16.6824 19.0658 19.0673 k = 0.0915 0.0915-0.0000 ( 1453 PWs) bands (ev): -6.9750 -6.9746 -5.7587 -5.7124 -4.7711 -4.7416 -4.5728 -4.4406 -4.3140 -4.2777 -4.2350 -4.2044 -3.1139 -3.0673 3.0562 3.0574 5.7760 5.7897 5.8099 5.8195 7.6450 7.6470 8.1440 8.1451 8.2147 8.2158 12.1425 12.1428 12.5359 12.5462 16.6055 16.6061 19.1471 19.1487 k = 0.0845 0.0845-0.0000 ( 1457 PWs) bands (ev): -6.9955 -6.9952 -5.7579 -5.7148 -4.7715 -4.7445 -4.5685 -4.4448 -4.3142 -4.2813 -4.2331 -4.2037 -3.1206 -3.0770 3.0361 3.0372 5.8185 5.8342 5.8521 5.8585 7.7403 7.7423 8.1738 8.1747 8.2468 8.2477 12.0409 12.0413 12.4408 12.4508 16.5324 16.5330 19.2255 19.2271 k = 0.0775 0.0775-0.0000 ( 1453 PWs) bands (ev): -7.0145 -7.0142 -5.7569 -5.7171 -4.7717 -4.7471 -4.5638 -4.4491 -4.3142 -4.2847 -4.2310 -4.2031 -3.1269 -3.0864 3.0174 3.0184 5.8592 5.8761 5.8927 5.8964 7.8330 7.8348 8.2015 8.2023 8.2768 8.2775 11.9419 11.9423 12.3511 12.3608 16.4632 16.4639 19.3001 19.3018 k = 0.0704 0.0704-0.0000 ( 1453 PWs) bands (ev): -7.0320 -7.0317 -5.7558 -5.7194 -4.7719 -4.7497 -4.5589 -4.4535 -4.3143 -4.2878 -4.2289 -4.2028 -3.1326 -3.0953 3.0002 3.0011 5.8977 5.9151 5.9311 5.9328 7.9223 7.9241 8.2270 8.2276 8.3046 8.3052 11.8462 11.8466 12.2673 12.2766 16.3985 16.3991 19.3700 19.3718 k = 0.0634 0.0634-0.0000 ( 1453 PWs) bands (ev): -7.0479 -7.0477 -5.7546 -5.7217 -4.7719 -4.7520 -4.5538 -4.4580 -4.3142 -4.2908 -4.2267 -4.2026 -3.1377 -3.1038 2.9845 2.9854 5.9338 5.9509 5.9670 5.9673 8.0077 8.0094 8.2503 8.2507 8.3300 8.3304 11.7546 11.7550 12.1899 12.1986 16.3386 16.3392 19.4342 19.4361 k = 0.0563 0.0563-0.0000 ( 1457 PWs) bands (ev): -7.0622 -7.0620 -5.7534 -5.7240 -4.7718 -4.7543 -4.5486 -4.4626 -4.3141 -4.2935 -4.2245 -4.2027 -3.1422 -3.1117 2.9704 2.9711 5.9673 5.9834 5.9995 5.9999 8.0883 8.0898 8.2713 8.2715 8.3530 8.3533 11.6681 11.6686 12.1193 12.1273 16.2839 16.2845 19.4914 19.4936 k = 0.0493 0.0493-0.0000 ( 1457 PWs) bands (ev): -7.0749 -7.0747 -5.7521 -5.7262 -4.7716 -4.7563 -4.5431 -4.4673 -4.3138 -4.2961 -4.2224 -4.2029 -3.1461 -3.1191 2.9578 2.9585 5.9979 6.0126 6.0290 6.0296 8.1631 8.1645 8.2899 8.2901 8.3736 8.3737 11.5878 11.5882 12.0559 12.0632 16.2349 16.2354 19.5404 19.5430 k = 0.0423 0.0423-0.0000 ( 1457 PWs) bands (ev): -7.0860 -7.0858 -5.7506 -5.7284 -4.7713 -4.7582 -4.5376 -4.4722 -4.3135 -4.2985 -4.2202 -4.2032 -3.1492 -3.1259 2.9469 2.9475 6.0252 6.0381 6.0552 6.0559 8.2312 8.2325 8.3063 8.3063 8.3916 8.3916 11.5147 11.5151 12.0002 12.0066 16.1917 16.1922 19.5796 19.5825 k = 0.0352 0.0352-0.0000 ( 1457 PWs) bands (ev): -7.0953 -7.0952 -5.7491 -5.7305 -4.7709 -4.7600 -4.5320 -4.4772 -4.3130 -4.3006 -4.2181 -4.2038 -3.1515 -3.1320 2.9377 2.9382 6.0491 6.0600 6.0779 6.0786 8.2907 8.2919 8.3208 8.3210 8.4069 8.4069 11.4500 11.4503 11.9525 11.9579 16.1548 16.1551 19.6079 19.6111 k = 0.0282 0.0282-0.0000 ( 1457 PWs) bands (ev): -7.1030 -7.1029 -5.7476 -5.7326 -4.7703 -4.7617 -4.5264 -4.4823 -4.3124 -4.3026 -4.2161 -4.2045 -3.1531 -3.1374 2.9301 2.9305 6.0692 6.0780 6.0969 6.0974 8.3277 8.3283 8.3466 8.3469 8.4195 8.4196 11.3949 11.3952 11.9131 11.9176 16.1242 16.1245 19.6256 19.6288 k = 0.0211 0.0211-0.0000 ( 1461 PWs) bands (ev): -7.1090 -7.1089 -5.7460 -5.7347 -4.7697 -4.7632 -4.5207 -4.4875 -4.3117 -4.3044 -4.2142 -4.2055 -3.1540 -3.1421 2.9242 2.9245 6.0853 6.0919 6.1119 6.1122 8.3383 8.3385 8.3861 8.3865 8.4295 8.4297 11.3505 11.3508 11.8823 11.8857 16.1003 16.1005 19.6352 19.6381 k = 0.0141 0.0141-0.0000 ( 1465 PWs) bands (ev): -7.1133 -7.1132 -5.7443 -5.7368 -4.7689 -4.7646 -4.5150 -4.4929 -4.3109 -4.3060 -4.2124 -4.2065 -3.1540 -3.1461 2.9200 2.9202 6.0972 6.1016 6.1227 6.1228 8.3449 8.3450 8.4159 8.4160 8.4371 8.4373 11.3180 11.3182 11.8603 11.8626 16.0831 16.0832 19.6399 19.6419 k = 0.0070 0.0070-0.0000 ( 1465 PWs) bands (ev): -7.1158 -7.1158 -5.7425 -5.7388 -4.7680 -4.7658 -4.5094 -4.4983 -4.3099 -4.3075 -4.2107 -4.2078 -3.1532 -3.1493 2.9175 2.9176 6.1049 6.1071 6.1292 6.1293 8.3488 8.3488 8.4326 8.4327 8.4431 8.4434 11.2982 11.2982 11.8473 11.8485 16.0727 16.0728 19.6419 19.6430 k = 0.0000 0.0000 0.0000 ( 1465 PWs) bands (ev): -7.1167 -7.1167 -5.7407 -5.7407 -4.7670 -4.7670 -4.5038 -4.5038 -4.3088 -4.3088 -4.2092 -4.2092 -3.1517 -3.1517 2.9167 2.9167 6.1082 6.1082 6.1314 6.1314 8.3501 8.3501 8.4370 8.4370 8.4465 8.4465 11.2915 11.2915 11.8433 11.8433 16.0693 16.0693 19.6428 19.6428 k = 0.0000 0.0000 0.0000 ( 1465 PWs) bands (ev): -7.1167 -7.1167 -5.7407 -5.7407 -4.7670 -4.7670 -4.5038 -4.5038 -4.3088 -4.3088 -4.2092 -4.2092 -3.1517 -3.1517 2.9167 2.9167 6.1082 6.1082 6.1314 6.1314 8.3501 8.3501 8.4370 8.4370 8.4465 8.4465 11.2915 11.2915 11.8433 11.8433 16.0693 16.0693 19.6428 19.6428 k = 0.0000 0.0000 0.0098 ( 1465 PWs) bands (ev): -7.1158 -7.1158 -5.7409 -5.7409 -4.7670 -4.7670 -4.5039 -4.5039 -4.3088 -4.3088 -4.2092 -4.2092 -3.1535 -3.1535 2.9192 2.9192 6.1090 6.1090 6.1323 6.1323 8.3445 8.3445 8.4357 8.4357 8.4452 8.4452 11.2972 11.2972 11.8461 11.8461 16.0704 16.0704 19.6425 19.6425 k = 0.0000 0.0000 0.0196 ( 1465 PWs) bands (ev): -7.1134 -7.1134 -5.7417 -5.7417 -4.7670 -4.7670 -4.5040 -4.5040 -4.3087 -4.3087 -4.2092 -4.2092 -3.1589 -3.1589 2.9268 2.9268 6.1115 6.1115 6.1348 6.1348 8.3281 8.3281 8.4318 8.4318 8.4414 8.4414 11.3141 11.3141 11.8543 11.8543 16.0735 16.0735 19.6409 19.6409 k = 0.0000 0.0000 0.0295 ( 1465 PWs) bands (ev): -7.1093 -7.1093 -5.7430 -5.7430 -4.7669 -4.7669 -4.5043 -4.5043 -4.3087 -4.3087 -4.2093 -4.2093 -3.1679 -3.1679 2.9393 2.9393 6.1157 6.1157 6.1390 6.1390 8.3010 8.3010 8.4253 8.4253 8.4350 8.4350 11.3419 11.3419 11.8679 11.8679 16.0788 16.0788 19.6367 19.6367 k = 0.0000 0.0000 0.0393 ( 1465 PWs) bands (ev): -7.1035 -7.1035 -5.7448 -5.7448 -4.7669 -4.7669 -4.5047 -4.5047 -4.3086 -4.3086 -4.2094 -4.2094 -3.1803 -3.1803 2.9569 2.9569 6.1216 6.1216 6.1448 6.1448 8.2640 8.2640 8.4163 8.4163 8.4261 8.4261 11.3797 11.3797 11.8871 11.8871 16.0862 16.0862 19.6273 19.6273 k = 0.0000 0.0000 0.0491 ( 1465 PWs) bands (ev): -7.0962 -7.0962 -5.7471 -5.7471 -4.7669 -4.7669 -4.5052 -4.5052 -4.3084 -4.3084 -4.2095 -4.2095 -3.1961 -3.1961 2.9792 2.9792 6.1291 6.1291 6.1523 6.1523 8.2178 8.2178 8.4049 8.4049 8.4148 8.4148 11.4266 11.4266 11.9118 11.9118 16.0956 16.0956 19.6093 19.6093 k = 0.0000 0.0000 0.0589 ( 1465 PWs) bands (ev): -7.0872 -7.0872 -5.7500 -5.7500 -4.7668 -4.7668 -4.5058 -4.5058 -4.3083 -4.3083 -4.2096 -4.2096 -3.2151 -3.2151 3.0062 3.0062 6.1382 6.1382 6.1614 6.1614 8.1634 8.1634 8.3910 8.3910 8.4010 8.4010 11.4817 11.4817 11.9420 11.9420 16.1070 16.1070 19.5801 19.5801 k = 0.0000 0.0000 0.0687 ( 1469 PWs) bands (ev): -7.0766 -7.0766 -5.7535 -5.7535 -4.7668 -4.7668 -4.5066 -4.5066 -4.3081 -4.3081 -4.2098 -4.2098 -3.2371 -3.2371 3.0377 3.0377 6.1490 6.1490 6.1721 6.1721 8.1014 8.1014 8.3748 8.3748 8.3848 8.3848 11.5438 11.5438 11.9779 11.9779 16.1204 16.1204 19.5395 19.5395 k = 0.0000 0.0000 0.0786 ( 1469 PWs) bands (ev): -7.0645 -7.0645 -5.7576 -5.7576 -4.7667 -4.7667 -4.5075 -4.5075 -4.3079 -4.3079 -4.2100 -4.2100 -3.2619 -3.2619 3.0736 3.0736 6.1614 6.1614 6.1844 6.1844 8.0332 8.0332 8.3563 8.3563 8.3664 8.3664 11.6117 11.6117 12.0195 12.0195 16.1358 16.1358 19.4887 19.4887 k = 0.0000 0.0000 0.0884 ( 1461 PWs) bands (ev): -7.0507 -7.0507 -5.7622 -5.7622 -4.7666 -4.7666 -4.5085 -4.5085 -4.3076 -4.3076 -4.2102 -4.2102 -3.2892 -3.2892 3.1137 3.1137 6.1754 6.1754 6.1985 6.1985 7.9595 7.9595 8.3357 8.3357 8.3457 8.3457 11.6843 11.6843 12.0669 12.0669 16.1531 16.1531 19.4293 19.4293 k = 0.0000 0.0000 0.0982 ( 1461 PWs) bands (ev): -7.0355 -7.0355 -5.7675 -5.7675 -4.7665 -4.7665 -4.5096 -4.5096 -4.3072 -4.3072 -4.2104 -4.2104 -3.3188 -3.3188 3.1578 3.1578 6.1910 6.1910 6.2139 6.2139 7.8811 7.8811 8.3128 8.3128 8.3228 8.3228 11.7607 11.7607 12.1201 12.1201 16.1722 16.1722 19.3626 19.3626 k = 0.0000 0.0000 0.1080 ( 1454 PWs) bands (ev): -7.0188 -7.0188 -5.7734 -5.7734 -4.7663 -4.7663 -4.5108 -4.5108 -4.3069 -4.3069 -4.2106 -4.2106 -3.3505 -3.3505 3.2056 3.2056 6.2081 6.2081 6.2310 6.2310 7.7987 7.7987 8.2879 8.2879 8.2979 8.2979 11.8397 11.8397 12.1791 12.1791 16.1930 16.1930 19.2900 19.2900 k = 0.0000 0.0000 0.1179 ( 1454 PWs) bands (ev): -7.0006 -7.0006 -5.7801 -5.7801 -4.7661 -4.7661 -4.5122 -4.5122 -4.3065 -4.3065 -4.2109 -4.2109 -3.3840 -3.3840 3.2570 3.2570 6.2266 6.2266 6.2495 6.2495 7.7129 7.7129 8.2611 8.2611 8.2711 8.2711 11.9207 11.9207 12.2437 12.2437 16.2155 16.2155 19.2122 19.2122 k = 0.0000 0.0000 0.1277 ( 1454 PWs) bands (ev): -6.9809 -6.9809 -5.7876 -5.7876 -4.7659 -4.7659 -4.5137 -4.5137 -4.3060 -4.3060 -4.2113 -4.2113 -3.4189 -3.4189 3.3116 3.3116 6.2467 6.2467 6.2694 6.2694 7.6245 7.6245 8.2323 8.2323 8.2423 8.2423 12.0029 12.0029 12.3138 12.3138 16.2394 16.2394 19.1301 19.1301 k = 0.0000 0.0000 0.1375 ( 1458 PWs) bands (ev): -6.9599 -6.9599 -5.7958 -5.7958 -4.7658 -4.7658 -4.5154 -4.5154 -4.3055 -4.3055 -4.2117 -4.2117 -3.4550 -3.4550 3.3693 3.3693 6.2681 6.2681 6.2908 6.2908 7.5338 7.5338 8.2018 8.2018 8.2119 8.2119 12.0859 12.0859 12.3890 12.3890 16.2648 16.2648 19.0444 19.0444 k = 0.0000 0.0000 0.1473 ( 1454 PWs) bands (ev): -6.9375 -6.9375 -5.8048 -5.8048 -4.7655 -4.7655 -4.5172 -4.5172 -4.3049 -4.3049 -4.2121 -4.2121 -3.4921 -3.4921 3.4298 3.4298 6.2909 6.2909 6.3135 6.3135 7.4415 7.4415 8.1698 8.1698 8.1798 8.1798 12.1696 12.1696 12.4686 12.4686 16.2914 16.2914 18.9558 18.9558 k = 0.0000 0.0000 0.1571 ( 1454 PWs) bands (ev): -6.9139 -6.9139 -5.8148 -5.8148 -4.7652 -4.7652 -4.5192 -4.5192 -4.3043 -4.3043 -4.2126 -4.2126 -3.5297 -3.5297 3.4930 3.4930 6.3151 6.3151 6.3375 6.3375 7.3477 7.3477 8.1361 8.1361 8.1462 8.1462 12.2538 12.2538 12.5518 12.5518 16.3190 16.3190 18.8650 18.8650 k = 0.0000 0.0000 0.1670 ( 1450 PWs) bands (ev): -6.8889 -6.8889 -5.8256 -5.8256 -4.7649 -4.7649 -4.5213 -4.5213 -4.3036 -4.3036 -4.2131 -4.2131 -3.5675 -3.5675 3.5585 3.5585 6.3406 6.3406 6.3629 6.3629 7.2530 7.2530 8.1011 8.1011 8.1112 8.1112 12.3386 12.3386 12.6379 12.6379 16.3474 16.3474 18.7725 18.7725 k = 0.0000 0.0000 0.1768 ( 1442 PWs) bands (ev): -6.8628 -6.8628 -5.8374 -5.8374 -4.7645 -4.7645 -4.5236 -4.5236 -4.3027 -4.3027 -4.2136 -4.2136 -3.6054 -3.6054 3.6262 3.6262 6.3672 6.3672 6.3894 6.3894 7.1577 7.1577 8.0650 8.0650 8.0752 8.0752 12.4241 12.4241 12.7259 12.7259 16.3764 16.3764 18.6791 18.6791 k = 0.0000 0.0000 0.1866 ( 1446 PWs) bands (ev): -6.8356 -6.8356 -5.8502 -5.8502 -4.7642 -4.7642 -4.5261 -4.5261 -4.3019 -4.3019 -4.2143 -4.2143 -3.6429 -3.6429 3.6958 3.6958 6.3949 6.3949 6.4170 6.4170 7.0617 7.0617 8.0277 8.0277 8.0379 8.0379 12.5103 12.5103 12.8146 12.8146 16.4055 16.4055 18.5854 18.5854 k = 0.0000 0.0000 0.1964 ( 1438 PWs) bands (ev): -6.8073 -6.8073 -5.8641 -5.8641 -4.7637 -4.7637 -4.5287 -4.5287 -4.3008 -4.3008 -4.2150 -4.2150 -3.6799 -3.6799 3.7672 3.7672 6.4236 6.4236 6.4456 6.4456 6.9658 6.9658 7.9895 7.9895 7.9997 7.9997 12.5972 12.5972 12.9036 12.9036 16.4346 16.4346 18.4921 18.4921 k = 0.0000 0.0000 0.2062 ( 1438 PWs) bands (ev): -6.7781 -6.7781 -5.8790 -5.8790 -4.7632 -4.7632 -4.5315 -4.5315 -4.2998 -4.2998 -4.2159 -4.2159 -3.7159 -3.7159 3.8398 3.8398 6.4533 6.4533 6.4752 6.4752 6.8700 6.8700 7.9505 7.9505 7.9608 7.9608 12.6846 12.6846 12.9917 12.9917 16.4631 16.4631 18.3999 18.3999 k = 0.0000 0.0000 0.2161 ( 1438 PWs) bands (ev): -6.7479 -6.7479 -5.8951 -5.8951 -4.7627 -4.7627 -4.5345 -4.5345 -4.2986 -4.2986 -4.2168 -4.2168 -3.7508 -3.7508 3.9137 3.9137 6.4838 6.4838 6.5055 6.5055 6.7747 6.7747 7.9109 7.9109 7.9213 7.9213 12.7724 12.7724 13.0782 13.0782 16.4905 16.4905 18.3096 18.3096 k = 0.0000 0.0000 0.2259 ( 1438 PWs) bands (ev): -6.7170 -6.7170 -5.9123 -5.9123 -4.7622 -4.7622 -4.5376 -4.5376 -4.2973 -4.2973 -4.2179 -4.2179 -3.7843 -3.7843 3.9884 3.9884 6.5149 6.5149 6.5365 6.5365 6.6801 6.6801 7.8710 7.8710 7.8815 7.8815 12.8603 12.8603 13.1623 13.1623 16.5163 16.5163 18.2222 18.2222 k = 0.0000 0.0000 0.2357 ( 1446 PWs) bands (ev): -6.6853 -6.6853 -5.9307 -5.9307 -4.7617 -4.7617 -4.5409 -4.5409 -4.2960 -4.2960 -4.2191 -4.2191 -3.8161 -3.8161 4.0637 4.0637 6.5462 6.5462 6.5679 6.5679 6.5869 6.5869 7.8310 7.8310 7.8414 7.8414 12.9477 12.9477 13.2432 13.2432 16.5400 16.5400 18.1385 18.1385 k = 0.0000 0.0000 0.2455 ( 1434 PWs) bands (ev): -6.6531 -6.6531 -5.9502 -5.9502 -4.7610 -4.7610 -4.5441 -4.5441 -4.2944 -4.2944 -4.2204 -4.2204 -3.8460 -3.8460 4.1392 4.1392 6.4937 6.4937 6.5790 6.5790 6.5999 6.5999 7.7913 7.7913 7.8017 7.8017 13.0343 13.0343 13.3204 13.3204 16.5608 16.5608 18.0596 18.0596 k = 0.0000 0.0000 0.2553 ( 1442 PWs) bands (ev): -6.6204 -6.6204 -5.9709 -5.9709 -4.7605 -4.7605 -4.5475 -4.5475 -4.2928 -4.2928 -4.2219 -4.2219 -3.8738 -3.8738 4.2146 4.2146 6.4031 6.4031 6.6110 6.6110 6.6318 6.6318 7.7517 7.7517 7.7621 7.7621 13.1193 13.1193 13.3927 13.3927 16.5781 16.5781 17.9864 17.9864 k = 0.0000 0.0000 0.2652 ( 1446 PWs) bands (ev): -6.5875 -6.5875 -5.9927 -5.9927 -4.7599 -4.7599 -4.5508 -4.5508 -4.2911 -4.2911 -4.2235 -4.2235 -3.8994 -3.8994 4.2892 4.2892 6.3148 6.3148 6.6428 6.6428 6.6635 6.6635 7.7130 7.7130 7.7233 7.7233 13.2021 13.2021 13.4596 13.4596 16.5914 16.5914 17.9198 17.9198 k = 0.0000 0.0000 0.2750 ( 1446 PWs) bands (ev): -6.5544 -6.5544 -6.0155 -6.0155 -4.7593 -4.7593 -4.5541 -4.5541 -4.2892 -4.2892 -4.2253 -4.2253 -3.9226 -3.9226 4.3626 4.3626 6.2292 6.2292 6.6742 6.6742 6.6947 6.6947 7.6755 7.6755 7.6856 7.6856 13.2819 13.2819 13.5203 13.5203 16.6006 16.6006 17.8608 17.8608 k = 0.0000 0.0000 0.2848 ( 1442 PWs) bands (ev): -6.5213 -6.5213 -6.0392 -6.0392 -4.7586 -4.7586 -4.5573 -4.5573 -4.2872 -4.2872 -4.2273 -4.2273 -3.9432 -3.9432 4.4340 4.4340 6.1472 6.1472 6.7046 6.7046 6.7249 6.7249 7.6397 7.6397 7.6495 7.6495 13.3577 13.3577 13.5741 13.5741 16.6054 16.6054 17.8098 17.8098 k = 0.0000 0.0000 0.2946 ( 1442 PWs) bands (ev): -6.4887 -6.4887 -6.0636 -6.0636 -4.7580 -4.7580 -4.5602 -4.5602 -4.2852 -4.2852 -4.2293 -4.2293 -3.9612 -3.9612 4.5022 4.5022 6.0697 6.0697 6.7335 6.7335 6.7535 6.7535 7.6061 7.6061 7.6156 7.6156 13.4288 13.4288 13.6201 13.6201 16.6061 16.6061 17.7672 17.7672 k = 0.0000 0.0000 0.3044 ( 1442 PWs) bands (ev): -6.4568 -6.4568 -6.0884 -6.0884 -4.7575 -4.7575 -4.5629 -4.5629 -4.2831 -4.2831 -4.2314 -4.2314 -3.9764 -3.9764 4.5660 4.5660 5.9981 5.9981 6.7603 6.7603 6.7800 6.7800 7.5754 7.5754 7.5844 7.5844 13.4940 13.4940 13.6577 13.6577 16.6035 16.6035 17.7327 17.7327 k = 0.0000 0.0000 0.3143 ( 1442 PWs) bands (ev): -6.4262 -6.4262 -6.1131 -6.1131 -4.7570 -4.7570 -4.5653 -4.5653 -4.2811 -4.2811 -4.2335 -4.2335 -3.9889 -3.9889 4.6236 4.6236 5.9341 5.9341 6.7841 6.7841 6.8035 6.8035 7.5484 7.5484 7.5569 7.5569 13.5523 13.5523 13.6863 13.6863 16.5988 16.5988 17.7061 17.7061 k = 0.0000 0.0000 0.3241 ( 1446 PWs) bands (ev): -6.3979 -6.3979 -6.1368 -6.1368 -4.7566 -4.7566 -4.5672 -4.5672 -4.2793 -4.2793 -4.2354 -4.2354 -3.9987 -3.9987 4.6727 4.6727 5.8801 5.8801 6.8040 6.8040 6.8232 6.8232 7.5261 7.5261 7.5339 7.5339 13.6028 13.6028 13.7052 13.7052 16.5931 16.5931 17.6865 17.6865 k = 0.0000 0.0000 0.3339 ( 1446 PWs) bands (ev): -6.3736 -6.3736 -6.1578 -6.1578 -4.7563 -4.7563 -4.5686 -4.5686 -4.2778 -4.2778 -4.2370 -4.2370 -4.0056 -4.0056 4.7107 4.7107 5.8385 5.8385 6.8192 6.8192 6.8382 6.8382 7.5093 7.5093 7.5165 7.5165 13.6446 13.6446 13.7140 13.7140 16.5878 16.5878 17.6733 17.6733 k = 0.0000 0.0000 0.3437 ( 1458 PWs) bands (ev): -6.3562 -6.3562 -6.1732 -6.1732 -4.7562 -4.7562 -4.5695 -4.5695 -4.2769 -4.2769 -4.2382 -4.2382 -4.0098 -4.0098 4.7350 4.7350 5.8121 5.8121 6.8287 6.8287 6.8475 6.8475 7.4988 7.4988 7.5055 7.5055 13.6768 13.6768 13.7126 13.7126 16.5841 16.5841 17.6656 17.6656 k = 0.0000 0.0000 0.3536 ( 1458 PWs) bands (ev): -6.3497 -6.3497 -6.1790 -6.1790 -4.7561 -4.7561 -4.5698 -4.5698 -4.2766 -4.2766 -4.2385 -4.2385 -4.0112 -4.0112 4.7434 4.7434 5.8030 5.8030 6.8320 6.8320 6.8507 6.8507 7.4953 7.4953 7.5018 7.5018 13.6952 13.6952 13.7045 13.7045 16.5828 16.5828 17.6631 17.6631 k = 0.0000 0.0000 0.3536 ( 1458 PWs) bands (ev): -6.3497 -6.3497 -6.1790 -6.1790 -4.7561 -4.7561 -4.5698 -4.5698 -4.2766 -4.2766 -4.2385 -4.2385 -4.0112 -4.0112 4.7434 4.7434 5.8030 5.8030 6.8320 6.8320 6.8507 6.8507 7.4953 7.4953 7.5018 7.5018 13.6952 13.6952 13.7045 13.7045 16.5828 16.5828 17.6631 17.6631 k = 0.0000 0.0098 0.3536 ( 1456 PWs) bands (ev): -6.3503 -6.3484 -6.1788 -6.1782 -4.7570 -4.7551 -4.5762 -4.5630 -4.2773 -4.2760 -4.2425 -4.2343 -4.0120 -4.0091 4.7407 4.7414 5.7968 5.7983 6.8319 6.8344 6.8517 6.8520 7.4940 7.4957 7.5011 7.5020 13.6974 13.6976 13.7065 13.7090 16.5836 16.5840 17.6649 17.6660 k = 0.0000 0.0196 0.3536 ( 1448 PWs) bands (ev): -6.3502 -6.3465 -6.1776 -6.1763 -4.7577 -4.7538 -4.5822 -4.5557 -4.2783 -4.2756 -4.2460 -4.2300 -4.0119 -4.0060 4.7334 4.7349 5.7797 5.7826 6.8343 6.8385 6.8550 6.8561 7.4906 7.4951 7.5010 7.5019 13.7041 13.7046 13.7149 13.7200 16.5865 16.5872 17.6713 17.6734 k = 0.0000 0.0294 0.3536 ( 1444 PWs) bands (ev): -6.3495 -6.3439 -6.1753 -6.1735 -4.7582 -4.7525 -4.5877 -4.5480 -4.2796 -4.2753 -4.2491 -4.2257 -4.0107 -4.0017 4.7214 4.7237 5.7522 5.7562 6.8386 6.8436 6.8606 6.8634 7.4849 7.4923 7.5020 7.5025 13.7151 13.7158 13.7298 13.7373 16.5913 16.5924 17.6821 17.6852 k = 0.0000 0.0392 0.3536 ( 1444 PWs) bands (ev): -6.3482 -6.3407 -6.1720 -6.1696 -4.7585 -4.7511 -4.5927 -4.5399 -4.2813 -4.2750 -4.2516 -4.2216 -4.0085 -3.9961 4.7048 4.7078 5.7149 5.7197 6.8444 6.8490 6.8689 6.8740 7.4772 7.4872 7.5038 7.5042 13.7303 13.7312 13.7509 13.7607 16.5981 16.5996 17.6974 17.7014 k = 0.0000 0.0490 0.3536 ( 1444 PWs) bands (ev): -6.3462 -6.3368 -6.1677 -6.1648 -4.7585 -4.7496 -4.5974 -4.5316 -4.2832 -4.2748 -4.2536 -4.2177 -4.0054 -3.9893 4.6836 4.6872 5.6684 5.6737 6.8512 6.8551 6.8798 6.8873 7.4678 7.4802 7.5063 7.5068 13.7493 13.7505 13.7778 13.7897 16.6066 16.6084 17.7167 17.7217 k = 0.0000 0.0588 0.3536 ( 1444 PWs) bands (ev): -6.3436 -6.3323 -6.1624 -6.1591 -4.7581 -4.7480 -4.6015 -4.5229 -4.2854 -4.2746 -4.2549 -4.2141 -4.0013 -3.9813 4.6578 4.6620 5.6135 5.6191 6.8588 6.8620 6.8930 6.9025 7.4572 7.4719 7.5095 7.5100 13.7721 13.7736 13.8101 13.8241 16.6167 16.6189 17.7400 17.7459 k = 0.0000 0.0686 0.3536 ( 1444 PWs) bands (ev): -6.3404 -6.3272 -6.1561 -6.1525 -4.7573 -4.7463 -4.6053 -4.5140 -4.2876 -4.2744 -4.2558 -4.2108 -3.9963 -3.9720 4.6272 4.6320 5.5509 5.5564 6.8672 6.8698 6.9082 6.9192 7.4457 7.4624 7.5133 7.5139 13.7982 13.8000 13.8473 13.8631 16.6281 16.6309 17.7668 17.7736 k = 0.0000 0.0784 0.3536 ( 1452 PWs) bands (ev): -6.3367 -6.3215 -6.1490 -6.1450 -4.7562 -4.7446 -4.6086 -4.5048 -4.2898 -4.2741 -4.2562 -4.2078 -3.9904 -3.9614 4.5920 4.5973 5.4813 5.4865 6.8765 6.8787 6.9249 6.9369 7.4336 7.4522 7.5176 7.5183 13.8273 13.8294 13.8887 13.9063 16.6408 16.6440 17.7968 17.8042 k = 0.0000 0.0882 0.3536 ( 1452 PWs) bands (ev): -6.3323 -6.3152 -6.1409 -6.1368 -4.7545 -4.7427 -4.6115 -4.4955 -4.2918 -4.2739 -4.2564 -4.2051 -3.9835 -3.9496 4.5522 4.5579 5.4055 5.4102 6.8868 6.8885 6.9428 6.9555 7.4213 7.4418 7.5225 7.5233 13.8591 13.8615 13.9340 13.9530 16.6544 16.6580 17.8295 17.8374 k = 0.0000 0.0980 0.3536 ( 1454 PWs) bands (ev): -6.3274 -6.3083 -6.1320 -6.1278 -4.7523 -4.7408 -4.6141 -4.4860 -4.2934 -4.2736 -4.2562 -4.2028 -3.9756 -3.9366 4.5078 4.5137 5.3240 5.3281 6.8980 6.8994 6.9615 6.9746 7.4092 7.4313 7.5279 7.5288 13.8931 13.8958 13.9823 14.0027 16.6685 16.6727 17.8641 17.8724 k = 0.0000 0.1078 0.3536 ( 1454 PWs) bands (ev): -6.3220 -6.3009 -6.1224 -6.1181 -4.7495 -4.7387 -4.6162 -4.4764 -4.2946 -4.2733 -4.2559 -4.2007 -3.9667 -3.9224 4.4588 4.4649 5.2375 5.2409 6.9102 6.9113 6.9810 6.9940 7.3977 7.4212 7.5339 7.5348 13.9288 13.9319 14.0332 14.0546 16.6830 16.6878 17.9001 17.9083 k = 0.0000 0.1176 0.3536 ( 1458 PWs) bands (ev): -6.3160 -6.2929 -6.1119 -6.1078 -4.7461 -4.7366 -4.6179 -4.4669 -4.2952 -4.2729 -4.2554 -4.1989 -3.9569 -3.9071 4.4053 4.4115 5.1466 5.1493 6.9233 6.9242 7.0008 7.0136 7.3869 7.4118 7.5403 7.5414 13.9658 13.9693 14.0859 14.1082 16.6976 16.7030 17.9364 17.9442 k = 0.0000 0.1275 0.3536 ( 1458 PWs) bands (ev): -6.3096 -6.2845 -6.1009 -6.0970 -4.7420 -4.7343 -4.6192 -4.4574 -4.2953 -4.2725 -4.2547 -4.1972 -3.9460 -3.8908 4.3475 4.3536 5.0518 5.0538 6.9374 6.9381 7.0209 7.0334 7.3773 7.4034 7.5472 7.5483 14.0036 14.0075 14.1399 14.1628 16.7118 16.7179 17.9719 17.9786 k = 0.0000 0.1373 0.3536 ( 1450 PWs) bands (ev): -6.3027 -6.2756 -6.0892 -6.0857 -4.7372 -4.7319 -4.6200 -4.4480 -4.2946 -4.2721 -4.2537 -4.1956 -3.9342 -3.8735 4.2853 4.2913 4.9537 4.9550 6.9523 6.9529 7.0413 7.0533 7.3692 7.3964 7.5546 7.5558 14.0416 14.0459 14.1946 14.2180 16.7256 16.7324 18.0053 18.0102 k = 0.0000 0.1471 0.3536 ( 1450 PWs) bands (ev): -6.2955 -6.2663 -6.0769 -6.0740 -4.7318 -4.7294 -4.6204 -4.4389 -4.2932 -4.2716 -4.2526 -4.1942 -3.9213 -3.8553 4.2190 4.2247 4.8528 4.8536 6.9682 6.9685 7.0617 7.0730 7.3628 7.3908 7.5623 7.5636 14.0792 14.0841 14.2495 14.2730 16.7386 16.7462 18.0348 18.0370 k = 0.0000 0.1569 0.3536 ( 1458 PWs) bands (ev): -6.2878 -6.2566 -6.0642 -6.0621 -4.7269 -4.7257 -4.6204 -4.4301 -4.2911 -4.2712 -4.2511 -4.1928 -3.9075 -3.8362 4.1487 4.1539 4.7498 4.7500 6.9847 6.9850 7.0820 7.0925 7.3583 7.3871 7.5702 7.5716 14.1159 14.1215 14.3041 14.3276 16.7509 16.7593 18.0566 18.0583 k = 0.0000 0.1667 0.3536 ( 1462 PWs) bands (ev): -6.2798 -6.2466 -6.0511 -6.0498 -4.7242 -4.7190 -4.6198 -4.4219 -4.2883 -4.2707 -4.2492 -4.1913 -3.8927 -3.8163 4.0745 4.0791 4.6448 4.6450 7.0022 7.0023 7.1020 7.1118 7.3559 7.3853 7.5787 7.5801 14.1510 14.1573 14.3581 14.3814 16.7623 16.7717 18.0668 18.0732 k = 0.0000 0.1765 0.3536 ( 1456 PWs) bands (ev): -6.2713 -6.2361 -6.0377 -6.0375 -4.7214 -4.7117 -4.6185 -4.4141 -4.2847 -4.2701 -4.2464 -4.1896 -3.8768 -3.7956 3.9966 4.0006 4.5387 4.5390 7.0203 7.0203 7.1218 7.1309 7.3559 7.3857 7.5874 7.5889 14.1839 14.1910 14.4113 14.4340 16.7732 16.7835 18.0656 18.0774 k = 0.0000 0.1863 0.3536 ( 1452 PWs) bands (ev): -6.2627 -6.2255 -6.0250 -6.0241 -4.7185 -4.7041 -4.6164 -4.4071 -4.2806 -4.2695 -4.2427 -4.1878 -3.8600 -3.7742 3.9153 3.9184 4.4319 4.4323 7.0391 7.0392 7.1411 7.1494 7.3584 7.3884 7.5964 7.5980 14.2140 14.2220 14.4632 14.4852 16.7836 16.7949 18.0519 18.0688 k = 0.0000 0.1961 0.3536 ( 1460 PWs) bands (ev): -6.2538 -6.2146 -6.0126 -6.0103 -4.7156 -4.6964 -4.6133 -4.4008 -4.2766 -4.2689 -4.2374 -4.1857 -3.8423 -3.7522 3.8307 3.8328 4.3250 4.3254 7.0585 7.0587 7.1597 7.1674 7.3633 7.3933 7.6056 7.6073 14.2405 14.2495 14.5138 14.5349 16.7940 16.8061 18.0262 18.0473 k = 0.0000 0.2059 0.3536 ( 1460 PWs) bands (ev): -6.2446 -6.2036 -6.0003 -5.9964 -4.7125 -4.6889 -4.6089 -4.3953 -4.2729 -4.2682 -4.2302 -4.1832 -3.8237 -3.7297 3.7431 3.7440 4.2186 4.2186 7.0785 7.0787 7.1777 7.1850 7.3708 7.4005 7.6150 7.6168 14.2630 14.2730 14.5630 14.5830 16.8047 16.8178 17.9905 18.0144 k = 0.0000 0.2157 0.3536 ( 1456 PWs) bands (ev): -6.2352 -6.1924 -5.9881 -5.9825 -4.7094 -4.6818 -4.6030 -4.3905 -4.2698 -4.2676 -4.2206 -4.1802 -3.8042 -3.7066 3.6525 3.6528 4.1125 4.1128 7.0990 7.0993 7.1949 7.2019 7.3809 7.4099 7.6246 7.6265 14.2810 14.2920 14.6106 14.6295 16.8164 16.8303 17.9475 17.9731 k = 0.0000 0.2255 0.3536 ( 1456 PWs) bands (ev): -6.2257 -6.1811 -5.9761 -5.9687 -4.7063 -4.6756 -4.5954 -4.3865 -4.2674 -4.2669 -4.2088 -4.1767 -3.7839 -3.6831 3.5584 3.5600 4.0074 4.0082 7.1200 7.1203 7.2115 7.2184 7.3933 7.4215 7.6343 7.6362 14.2940 14.3059 14.6566 14.6742 16.8293 16.8441 17.8998 17.9259 k = 0.0000 0.2353 0.3536 ( 1456 PWs) bands (ev): -6.2161 -6.1698 -5.9644 -5.9551 -4.7032 -4.6702 -4.5860 -4.3831 -4.2662 -4.2655 -4.1949 -4.1725 -3.7629 -3.6592 3.4621 3.4651 3.9035 3.9050 7.1414 7.1417 7.2276 7.2345 7.4079 7.4350 7.6440 7.6460 14.3018 14.3146 14.7008 14.7172 16.8442 16.8595 17.8495 17.8757 k = 0.0000 0.2451 0.3536 ( 1470 PWs) bands (ev): -6.2064 -6.1585 -5.9530 -5.9417 -4.7001 -4.6659 -4.5751 -4.3804 -4.2657 -4.2640 -4.1792 -4.1675 -3.7412 -3.6351 3.3641 3.3684 3.8013 3.8034 7.1630 7.1633 7.2431 7.2501 7.4242 7.4501 7.6537 7.6557 14.3042 14.3176 14.7432 14.7583 16.8612 16.8771 17.7985 17.8244 k = 0.0000 0.2549 0.3536 ( 1470 PWs) bands (ev): -6.1966 -6.1473 -5.9420 -5.9286 -4.6969 -4.6624 -4.5627 -4.3781 -4.2650 -4.2628 -4.1616 -4.1615 -3.7189 -3.6107 3.2648 3.2703 3.7009 3.7036 7.1850 7.1853 7.2585 7.2657 7.4422 7.4668 7.6634 7.6655 14.3013 14.3152 14.7836 14.7975 16.8808 16.8971 17.7485 17.7739 k = 0.0000 0.2647 0.3536 ( 1468 PWs) bands (ev): -6.1868 -6.1362 -5.9313 -5.9158 -4.6938 -4.6596 -4.5492 -4.3762 -4.2643 -4.2619 -4.1544 -4.1426 -3.6961 -3.5861 3.1646 3.1714 3.6025 3.6060 7.2071 7.2074 7.2737 7.2811 7.4615 7.4847 7.6731 7.6752 14.2933 14.3075 14.8218 14.8346 16.9032 16.9197 17.7003 17.7252 k = 0.0000 0.2745 0.3536 ( 1468 PWs) bands (ev): -6.1770 -6.1252 -5.9211 -5.9035 -4.6908 -4.6573 -4.5351 -4.3746 -4.2637 -4.2610 -4.1460 -4.1223 -3.6728 -3.5615 3.0640 3.0719 3.5064 3.5104 7.2294 7.2296 7.2890 7.2964 7.4817 7.5036 7.6826 7.6847 14.2803 14.2947 14.8577 14.8694 16.9285 16.9449 17.6550 17.6794 k = 0.0000 0.2843 0.3536 ( 1468 PWs) bands (ev): -6.1672 -6.1145 -5.9113 -5.8916 -4.6878 -4.6555 -4.5208 -4.3734 -4.2630 -4.2603 -4.1362 -4.1007 -3.6492 -3.5369 2.9635 2.9724 3.4126 3.4172 7.2518 7.2518 7.3043 7.3118 7.5026 7.5231 7.6920 7.6941 14.2629 14.2772 14.8911 14.9017 16.9565 16.9728 17.6134 17.6374 k = 0.0000 0.2941 0.3536 ( 1468 PWs) bands (ev): -6.1575 -6.1040 -5.9019 -5.8803 -4.6848 -4.6539 -4.5064 -4.3724 -4.2623 -4.2596 -4.1248 -4.0782 -3.6253 -3.5125 2.8636 2.8734 3.3213 3.3264 7.2739 7.2741 7.3199 7.3272 7.5239 7.5431 7.7012 7.7033 14.2413 14.2556 14.9217 14.9314 16.9871 17.0029 17.5762 17.5999 k = 0.0000 0.3039 0.3536 ( 1468 PWs) bands (ev): -6.1479 -6.0939 -5.8929 -5.8695 -4.6820 -4.6527 -4.4925 -4.3717 -4.2617 -4.2591 -4.1117 -4.0547 -3.6012 -3.4883 2.7648 2.7752 3.2327 3.2381 7.2958 7.2963 7.3356 7.3426 7.5454 7.5633 7.7100 7.7122 14.2164 14.2303 14.9494 14.9583 17.0200 17.0352 17.5439 17.5675 k = 0.0000 0.3137 0.3536 ( 1468 PWs) bands (ev): -6.1384 -6.0841 -5.8844 -5.8593 -4.6792 -4.6516 -4.4792 -4.3711 -4.2611 -4.2585 -4.0968 -4.0305 -3.5771 -3.4645 2.6675 2.6785 3.1468 3.1525 7.3174 7.3183 7.3515 7.3581 7.5670 7.5836 7.7187 7.7208 14.1884 14.2019 14.9741 14.9823 17.0548 17.0691 17.5172 17.5408 k = 0.0000 0.3235 0.3536 ( 1468 PWs) bands (ev): -6.1291 -6.0748 -5.8764 -5.8497 -4.6766 -4.6506 -4.4667 -4.3708 -4.2605 -4.2580 -4.0802 -4.0057 -3.5530 -3.4411 2.5722 2.5835 3.0638 3.0697 7.3386 7.3400 7.3676 7.3736 7.5884 7.6038 7.7270 7.7291 14.1581 14.1711 14.9957 15.0031 17.0910 17.1042 17.4966 17.5204 k = 0.0000 0.3333 0.3536 ( 1458 PWs) bands (ev): -6.1199 -6.0660 -5.8686 -5.8407 -4.6740 -4.6498 -4.4551 -4.3705 -4.2599 -4.2575 -4.0617 -3.9806 -3.5289 -3.4183 2.4793 2.4908 2.9839 2.9900 7.3593 7.3615 7.3840 7.3890 7.6095 7.6238 7.7350 7.7371 14.1260 14.1385 15.0141 15.0209 17.1279 17.1397 17.4826 17.5067 k = 0.0000 0.3431 0.3536 ( 1470 PWs) bands (ev): -6.1111 -6.0578 -5.8614 -5.8324 -4.6716 -4.6491 -4.4447 -4.3704 -4.2593 -4.2571 -4.0417 -3.9554 -3.5052 -3.3963 2.3891 2.4007 2.9072 2.9133 7.3791 7.3825 7.4004 7.4041 7.6299 7.6432 7.7425 7.7445 14.0927 14.1045 15.0293 15.0355 17.1647 17.1749 17.4755 17.5000 k = 0.0000 0.3529 0.3536 ( 1470 PWs) bands (ev): -6.1024 -6.0500 -5.8544 -5.8248 -4.6692 -4.6485 -4.4353 -4.3704 -4.2588 -4.2566 -4.0203 -3.9302 -3.4818 -3.3751 2.3021 2.3137 2.8338 2.8399 7.3981 7.4029 7.4172 7.4191 7.6498 7.6622 7.7496 7.7515 14.0587 14.0699 15.0414 15.0471 17.2005 17.2091 17.4757 17.5007 k = 0.0000 0.3627 0.3536 ( 1470 PWs) bands (ev): -6.0940 -6.0429 -5.8478 -5.8179 -4.6670 -4.6480 -4.4270 -4.3705 -4.2582 -4.2562 -3.9976 -3.9053 -3.4589 -3.3549 2.2187 2.2301 2.7641 2.7701 7.4159 7.4227 7.4338 7.4341 7.6690 7.6805 7.7562 7.7580 14.0246 14.0351 15.0506 15.0557 17.2347 17.2417 17.4836 17.5088 k = 0.0000 0.3725 0.3536 ( 1470 PWs) bands (ev): -6.0859 -6.0364 -5.8415 -5.8116 -4.6649 -4.6475 -4.4197 -4.3707 -4.2577 -4.2559 -3.9740 -3.8810 -3.4365 -3.3358 2.1392 2.1503 2.6980 2.7039 7.4327 7.4418 7.4480 7.4511 7.6874 7.6980 7.7624 7.7641 13.9908 14.0005 15.0571 15.0617 17.2667 17.2724 17.4987 17.5238 k = 0.0000 0.3824 0.3536 ( 1478 PWs) bands (ev): -6.0781 -6.0307 -5.8355 -5.8060 -4.6630 -4.6472 -4.4134 -4.3711 -4.2573 -4.2556 -3.9498 -3.8575 -3.4147 -3.3180 2.0640 2.0747 2.6360 2.6416 7.4483 7.4600 7.4617 7.4678 7.7046 7.7145 7.7681 7.7695 13.9578 13.9668 15.0611 15.0653 17.2963 17.3011 17.5203 17.5447 k = 0.0000 0.3922 0.3536 ( 1478 PWs) bands (ev): -6.0706 -6.0255 -5.8298 -5.8011 -4.6612 -4.6469 -4.4079 -4.3714 -4.2568 -4.2552 -3.9253 -3.8351 -3.3937 -3.3015 1.9934 2.0036 2.5780 2.5834 7.4629 7.4747 7.4775 7.4840 7.7208 7.7299 7.7734 7.7746 13.9261 13.9343 15.0630 15.0668 17.3239 17.3282 17.5471 17.5703 k = 0.0000 0.4020 0.3536 ( 1468 PWs) bands (ev): -6.0633 -6.0211 -5.8244 -5.7968 -4.6594 -4.6466 -4.4031 -4.3718 -4.2563 -4.2549 -3.9009 -3.8140 -3.3735 -3.2866 1.9277 1.9374 2.5244 2.5294 7.4766 7.4871 7.4939 7.4996 7.7356 7.7441 7.7785 7.7794 13.8958 13.9033 15.0631 15.0665 17.3503 17.3543 17.5775 17.5990 k = 0.0000 0.4118 0.3536 ( 1468 PWs) bands (ev): -6.0565 -6.0174 -5.8192 -5.7932 -4.6578 -4.6464 -4.3990 -4.3723 -4.2559 -4.2546 -3.8768 -3.7946 -3.3543 -3.2733 1.8673 1.8762 2.4752 2.4799 7.4893 7.4986 7.5093 7.5142 7.7489 7.7568 7.7833 7.7839 13.8675 13.8742 15.0619 15.0648 17.3756 17.3796 17.6095 17.6290 k = 0.0000 0.4216 0.3536 ( 1468 PWs) bands (ev): -6.0501 -6.0144 -5.8144 -5.7902 -4.6563 -4.6463 -4.3954 -4.3728 -4.2555 -4.2544 -3.8536 -3.7771 -3.3361 -3.2618 1.8124 1.8206 2.4307 2.4350 7.5009 7.5091 7.5235 7.5278 7.7603 7.7675 7.7882 7.7885 13.8414 13.8474 15.0595 15.0621 17.4002 17.4042 17.6415 17.6588 k = 0.0000 0.4314 0.3536 ( 1468 PWs) bands (ev): -6.0440 -6.0121 -5.8098 -5.7879 -4.6550 -4.6463 -4.3923 -4.3734 -4.2552 -4.2542 -3.8314 -3.7618 -3.3191 -3.2521 1.7634 1.7707 2.3911 2.3949 7.5114 7.5186 7.5363 7.5401 7.7695 7.7758 7.7935 7.7938 13.8178 13.8230 15.0565 15.0588 17.4240 17.4280 17.6724 17.6874 k = 0.0000 0.4412 0.3536 ( 1468 PWs) bands (ev): -6.0384 -6.0104 -5.8055 -5.7862 -4.6537 -4.6463 -4.3897 -4.3740 -4.2548 -4.2540 -3.8106 -3.7489 -3.3033 -3.2443 1.7204 1.7268 2.3564 2.3597 7.5208 7.5269 7.5478 7.5511 7.7762 7.7814 7.7993 7.7999 13.7970 13.8014 15.0532 15.0551 17.4468 17.4506 17.7010 17.7136 k = 0.0000 0.4510 0.3536 ( 1468 PWs) bands (ev): -6.0332 -6.0095 -5.8016 -5.7850 -4.6526 -4.6465 -4.3873 -4.3747 -4.2546 -4.2539 -3.7915 -3.7386 -3.2889 -3.2385 1.6837 1.6891 2.3268 2.3297 7.5289 7.5340 7.5578 7.5605 7.7809 7.7849 7.8054 7.8062 13.7790 13.7827 15.0498 15.0514 17.4679 17.4715 17.7264 17.7366 k = 0.0000 0.4608 0.3536 ( 1452 PWs) bands (ev): -6.0284 -6.0092 -5.7980 -5.7844 -4.6514 -4.6465 -4.3853 -4.3754 -4.2542 -4.2536 -3.7743 -3.7310 -3.2758 -3.2348 1.6535 1.6579 2.3026 2.3049 7.5359 7.5400 7.5663 7.5685 7.7843 7.7872 7.8112 7.8121 13.7641 13.7671 15.0467 15.0480 17.4868 17.4900 17.7480 17.7559 k = 0.0000 0.4706 0.3536 ( 1452 PWs) bands (ev): -6.0242 -6.0096 -5.7948 -5.7844 -4.6504 -4.6468 -4.3835 -4.3763 -4.2540 -4.2535 -3.7594 -3.7263 -3.2644 -3.2331 1.6300 1.6333 2.2836 2.2854 7.5414 7.5444 7.5730 7.5747 7.7864 7.7885 7.8160 7.8168 13.7525 13.7547 15.0441 15.0450 17.5027 17.5052 17.7652 17.7710 k = 0.0000 0.4804 0.3536 ( 1452 PWs) bands (ev): -6.0204 -6.0106 -5.7919 -5.7849 -4.6496 -4.6472 -4.3819 -4.3772 -4.2538 -4.2535 -3.7469 -3.7245 -3.2545 -3.2334 1.6132 1.6155 2.2701 2.2713 7.5455 7.5475 7.5780 7.5791 7.7879 7.7893 7.8196 7.8202 13.7443 13.7457 15.0421 15.0427 17.5148 17.5166 17.7779 17.7816 k = 0.0000 0.4902 0.3536 ( 1436 PWs) bands (ev): -6.0170 -6.0121 -5.7895 -5.7860 -4.6488 -4.6476 -4.3804 -4.3781 -4.2536 -4.2535 -3.7370 -3.7257 -3.2464 -3.2358 1.6034 1.6045 2.2621 2.2627 7.5483 7.5494 7.5812 7.5817 7.7889 7.7896 7.8220 7.8223 13.7394 13.7402 15.0409 15.0413 17.5226 17.5235 17.7860 17.7878 k = 0.0000 0.5000 0.3536 ( 1436 PWs) bands (ev): -6.0143 -6.0143 -5.7875 -5.7875 -4.6481 -4.6481 -4.3792 -4.3792 -4.2535 -4.2535 -3.7299 -3.7299 -3.2401 -3.2401 1.6005 1.6005 2.2597 2.2597 7.5496 7.5496 7.5824 7.5824 7.7895 7.7895 7.8229 7.8229 13.7380 13.7380 15.0406 15.0406 17.5255 17.5255 17.7892 17.7892 k = 0.0000 0.5000 0.3536 ( 1436 PWs) bands (ev): -6.0143 -6.0143 -5.7875 -5.7875 -4.6481 -4.6481 -4.3792 -4.3792 -4.2535 -4.2535 -3.7299 -3.7299 -3.2401 -3.2401 1.6005 1.6005 2.2597 2.2597 7.5496 7.5496 7.5824 7.5824 7.7895 7.7895 7.8229 7.8229 13.7380 13.7380 15.0406 15.0406 17.5255 17.5255 17.7892 17.7892 k = 0.0098 0.5000 0.3536 ( 1436 PWs) bands (ev): -6.0143 -6.0137 -5.7900 -5.7845 -4.6570 -4.6391 -4.3810 -4.3776 -4.2573 -4.2498 -3.7303 -3.7284 -3.2400 -3.2397 1.6013 1.6017 2.2608 2.2608 7.5457 7.5494 7.5780 7.5815 7.7776 7.7892 7.8171 7.8273 13.7428 13.7437 15.0446 15.0448 17.5147 17.5164 17.7801 17.7812 k = 0.0196 0.5000 0.3536 ( 1452 PWs) bands (ev): -6.0138 -6.0125 -5.7923 -5.7812 -4.6657 -4.6299 -4.3832 -4.3763 -4.2611 -4.2462 -3.7295 -3.7258 -3.2394 -3.2387 1.6043 1.6050 2.2642 2.2643 7.5370 7.5442 7.5690 7.5759 7.7560 7.7733 7.8134 7.8279 13.7581 13.7598 15.0567 15.0571 17.4844 17.4877 17.7544 17.7564 k = 0.0294 0.5000 0.3536 ( 1464 PWs) bands (ev): -6.0128 -6.0108 -5.7940 -5.7774 -4.6741 -4.6206 -4.3857 -4.3752 -4.2648 -4.2428 -3.7276 -3.7220 -3.2383 -3.2372 1.6092 1.6103 2.2700 2.2700 7.5220 7.5312 7.5587 7.5673 7.7254 7.7450 7.8090 7.8245 13.7835 13.7861 15.0768 15.0773 17.4368 17.4415 17.7132 17.7161 k = 0.0392 0.5000 0.3536 ( 1468 PWs) bands (ev): -6.0112 -6.0085 -5.7953 -5.7733 -4.6821 -4.6111 -4.3884 -4.3742 -4.2683 -4.2395 -3.7246 -3.7170 -3.2366 -3.2352 1.6163 1.6177 2.2780 2.2781 7.4997 7.5082 7.5495 7.5571 7.6857 7.7066 7.8022 7.8177 13.8188 13.8221 15.1046 15.1053 17.3743 17.3802 17.6581 17.6619 k = 0.0490 0.5000 0.3536 ( 1468 PWs) bands (ev): -6.0089 -6.0056 -5.7962 -5.7688 -4.6897 -4.6015 -4.3914 -4.3733 -4.2715 -4.2364 -3.7204 -3.7108 -3.2343 -3.2326 1.6254 1.6272 2.2884 2.2885 7.4696 7.4767 7.5400 7.5456 7.6371 7.6588 7.7924 7.8080 13.8635 13.8675 15.1399 15.1408 17.2997 17.3065 17.5913 17.5956 k = 0.0588 0.5000 0.3536 ( 1468 PWs) bands (ev): -6.0062 -6.0021 -5.7967 -5.7639 -4.6969 -4.5919 -4.3947 -4.3726 -4.2745 -4.2336 -3.7152 -3.7035 -3.2315 -3.2295 1.6366 1.6388 2.3010 2.3011 7.4322 7.4379 7.5293 7.5317 7.5808 7.6021 7.7797 7.7954 13.9169 13.9214 15.1824 15.1835 17.2154 17.2229 17.5144 17.5193 k = 0.0686 0.5000 0.3536 ( 1468 PWs) bands (ev): -6.0028 -5.9982 -5.7967 -5.7588 -4.7036 -4.5824 -4.3982 -4.3720 -4.2772 -4.2312 -3.7088 -3.6950 -3.2282 -3.2260 1.6498 1.6523 2.3160 2.3161 7.3880 7.3926 7.5024 7.5162 7.5302 7.5378 7.7642 7.7800 13.9785 13.9834 15.2316 15.2328 17.1236 17.1317 17.4295 17.4347 k = 0.0784 0.5000 0.3536 ( 1468 PWs) bands (ev): -5.9990 -5.9937 -5.7964 -5.7534 -4.7098 -4.5730 -4.4020 -4.3716 -4.2795 -4.2290 -3.7014 -3.6854 -3.2244 -3.2219 1.6651 1.6680 2.3331 2.3332 7.3377 7.3414 7.4345 7.4633 7.5038 7.5089 7.7459 7.7620 14.0475 14.0527 15.2872 15.2885 17.0262 17.0347 17.3381 17.3436 k = 0.0882 0.5000 0.3536 ( 1464 PWs) bands (ev): -5.9947 -5.9887 -5.7957 -5.7478 -4.7155 -4.5637 -4.4058 -4.3711 -4.2815 -4.2272 -3.6929 -3.6746 -3.2201 -3.2173 1.6824 1.6856 2.3526 2.3527 7.2818 7.2846 7.3545 7.3837 7.4875 7.4910 7.7249 7.7413 14.1232 14.1286 15.3485 15.3500 16.9247 16.9335 17.2417 17.2475 k = 0.0980 0.5000 0.3536 ( 1464 PWs) bands (ev): -5.9898 -5.9832 -5.7947 -5.7420 -4.7206 -4.5546 -4.4098 -4.3708 -4.2831 -4.2257 -3.6834 -3.6628 -3.2152 -3.2123 1.7017 1.7053 2.3742 2.3743 7.2206 7.2228 7.2674 7.2975 7.4694 7.4718 7.7011 7.7180 14.2047 14.2102 15.4151 15.4167 16.8206 16.8296 17.1416 17.1477 k = 0.1078 0.5000 0.3536 ( 1460 PWs) bands (ev): -5.9845 -5.9772 -5.7934 -5.7362 -4.7252 -4.5459 -4.4138 -4.3705 -4.2844 -4.2244 -3.6728 -3.6499 -3.2098 -3.2067 1.7230 1.7269 2.3981 2.3982 7.1548 7.1564 7.1747 7.2056 7.4494 7.4510 7.6747 7.6921 14.2914 14.2968 15.4863 15.4881 16.7148 16.7241 17.0391 17.0452 k = 0.1176 0.5000 0.3536 ( 1468 PWs) bands (ev): -5.9787 -5.9708 -5.7918 -5.7302 -4.7292 -4.5376 -4.4177 -4.3703 -4.2853 -4.2236 -3.6613 -3.6361 -3.2040 -3.2008 1.7462 1.7505 2.4242 2.4243 7.0763 7.0852 7.0857 7.1089 7.4274 7.4283 7.6454 7.6633 14.3824 14.3877 15.5616 15.5635 16.6085 16.6179 16.9349 16.9412 k = 0.1275 0.5000 0.3536 ( 1468 PWs) bands (ev): -5.9725 -5.9640 -5.7899 -5.7242 -4.7325 -4.5298 -4.4213 -4.3700 -4.2859 -4.2230 -3.6486 -3.6212 -3.1977 -3.1944 1.7714 1.7761 2.4525 2.4525 6.9744 7.0053 7.0113 7.0139 7.4032 7.4036 7.6134 7.6319 14.4771 14.4822 15.6404 15.6423 16.5025 16.5121 16.8303 16.8367 k = 0.1373 0.5000 0.3536 ( 1468 PWs) bands (ev): -5.9659 -5.9567 -5.7878 -5.7182 -4.7351 -4.5227 -4.4245 -4.3698 -4.2861 -4.2227 -3.6350 -3.6054 -3.1909 -3.1876 1.7986 1.8036 2.4829 2.4829 6.8687 6.9017 6.9345 6.9354 7.3768 7.3769 7.5785 7.5977 14.5747 14.5795 15.7216 15.7237 16.3976 16.4073 16.7262 16.7327 k = 0.1471 0.5000 0.3536 ( 1468 PWs) bands (ev): -5.9590 -5.9491 -5.7854 -5.7123 -4.7370 -4.5166 -4.4270 -4.3696 -4.2860 -4.2227 -3.6203 -3.5887 -3.1837 -3.1803 1.8276 1.8330 2.5155 2.5155 6.7599 6.7938 6.8549 6.8554 7.3480 7.3485 7.5409 7.5607 14.6746 14.6790 15.8042 15.8064 16.2946 16.3045 16.6239 16.6305 k = 0.1569 0.5000 0.3536 ( 1464 PWs) bands (ev): -5.9516 -5.9412 -5.7828 -5.7065 -4.7383 -4.5116 -4.4285 -4.3694 -4.2855 -4.2229 -3.6047 -3.5711 -3.1760 -3.1727 1.8585 1.8642 2.5501 2.5501 6.6488 6.6834 6.7731 6.7734 7.3171 7.3179 7.5005 7.5209 14.7758 14.7798 15.8862 15.8886 16.1944 16.2043 16.5254 16.5321 k = 0.1667 0.5000 0.3536 ( 1464 PWs) bands (ev): -5.9440 -5.9330 -5.7801 -5.7008 -4.7389 -4.5081 -4.4289 -4.3691 -4.2848 -4.2233 -3.5881 -3.5527 -3.1680 -3.1648 1.8913 1.8973 2.5868 2.5869 6.5358 6.5710 6.6893 6.6894 7.2840 7.2851 7.4573 7.4782 14.8775 14.8811 15.9631 15.9658 16.0982 16.1081 16.4350 16.4418 k = 0.1765 0.5000 0.3536 ( 1464 PWs) bands (ev): -5.9361 -5.9244 -5.7773 -5.6954 -4.7387 -4.5060 -4.4280 -4.3688 -4.2838 -4.2238 -3.5705 -3.5336 -3.1595 -3.1564 1.9258 1.9321 2.6255 2.6256 6.4215 6.4572 6.6040 6.6041 7.2487 7.2501 7.4112 7.4327 14.9784 14.9816 15.9985 16.0094 16.0327 16.0342 16.3640 16.3703 k = 0.1863 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.9279 -5.9157 -5.7743 -5.6901 -4.7379 -4.5055 -4.4257 -4.3684 -4.2825 -4.2245 -3.5519 -3.5137 -3.1507 -3.1478 1.9621 1.9687 2.6662 2.6664 6.3064 6.3425 6.5176 6.5179 7.2112 7.2128 7.3624 7.3844 15.0770 15.0797 15.9178 15.9290 16.0479 16.0484 16.3395 16.3439 k = 0.1961 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.9195 -5.9067 -5.7712 -5.6852 -4.7365 -4.5063 -4.4223 -4.3679 -4.2809 -4.2253 -3.5325 -3.4931 -3.1415 -3.1389 2.0000 2.0070 2.7089 2.7091 6.1908 6.2273 6.4305 6.4309 7.1715 7.1732 7.3107 7.3333 15.1698 15.1721 15.8420 15.8534 16.0073 16.0100 16.3775 16.3795 k = 0.2059 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.9108 -5.8976 -5.7680 -5.6805 -4.7344 -4.5083 -4.4180 -4.3674 -4.2791 -4.2263 -3.5122 -3.4720 -3.1320 -3.1296 2.0396 2.0469 2.7535 2.7538 6.0753 6.1121 6.3431 6.3435 7.1295 7.1313 7.2564 7.2794 15.2510 15.2529 15.7814 15.7931 15.9348 15.9388 16.4512 16.4519 k = 0.2157 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.9021 -5.8883 -5.7648 -5.6761 -4.7317 -4.5111 -4.4132 -4.3668 -4.2771 -4.2273 -3.4910 -3.4502 -3.1221 -3.1202 2.0807 2.0883 2.7999 2.8003 5.9603 5.9974 6.2556 6.2562 7.0854 7.0871 7.1994 7.2228 15.3094 15.3103 15.7478 15.7592 15.8520 15.8566 16.5389 16.5390 k = 0.2255 0.5000 0.3536 ( 1460 PWs) bands (ev): -5.8933 -5.8790 -5.7616 -5.6722 -4.7285 -4.5144 -4.4079 -4.3660 -4.2749 -4.2284 -3.4690 -3.4279 -3.1120 -3.1105 2.1233 2.1311 2.8482 2.8487 5.8463 5.8834 6.1685 6.1691 7.0389 7.0405 7.1397 7.1633 15.3300 15.3309 15.7526 15.7599 15.7726 15.7746 16.6325 16.6327 k = 0.2353 0.5000 0.3536 ( 1444 PWs) bands (ev): -5.8843 -5.8697 -5.7582 -5.6684 -4.7246 -4.5181 -4.4024 -4.3651 -4.2723 -4.2294 -3.4463 -3.4051 -3.1017 -3.1006 2.1673 2.1754 2.8982 2.8988 5.7336 5.7709 6.0822 6.0828 6.9904 6.9917 7.0777 7.1014 15.3115 15.3144 15.6806 15.6851 15.8072 15.8155 16.7295 16.7299 k = 0.2451 0.5000 0.3536 ( 1444 PWs) bands (ev): -5.8753 -5.8603 -5.7548 -5.6651 -4.7204 -4.5221 -4.3969 -4.3640 -4.2697 -4.2306 -3.4228 -3.3820 -3.0911 -3.0905 2.2126 2.2209 2.9500 2.9506 5.6225 5.6599 5.9967 5.9973 6.9395 6.9403 7.0132 7.0368 15.2696 15.2740 15.5973 15.6020 15.8839 15.8915 16.8284 16.8289 k = 0.2549 0.5000 0.3536 ( 1444 PWs) bands (ev): -5.8664 -5.8511 -5.7514 -5.6622 -4.7158 -4.5263 -4.3914 -4.3628 -4.2669 -4.2317 -3.3988 -3.3585 -3.0803 -3.0803 2.2590 2.2675 3.0033 3.0041 5.5136 5.5510 5.9124 5.9131 6.8864 6.8865 6.9467 6.9698 15.2175 15.2229 15.5163 15.5211 15.9745 15.9818 16.9287 16.9293 k = 0.2647 0.5000 0.3536 ( 1444 PWs) bands (ev): -5.8574 -5.8419 -5.7480 -5.6596 -4.7109 -4.5306 -4.3860 -4.3615 -4.2640 -4.2328 -3.3742 -3.3348 -3.0700 -3.0693 2.3064 2.3151 3.0583 3.0591 5.4071 5.4444 5.8296 5.8303 6.8297 6.8314 6.8785 6.9004 15.1623 15.1682 15.4381 15.4428 16.0719 16.0791 17.0300 17.0307 k = 0.2745 0.5000 0.3536 ( 1452 PWs) bands (ev): -5.8486 -5.8329 -5.7446 -5.6573 -4.7058 -4.5349 -4.3808 -4.3600 -4.2611 -4.2339 -3.3491 -3.3108 -3.0596 -3.0582 2.3547 2.3635 3.1147 3.1157 5.3035 5.3407 5.7485 5.7492 6.7697 6.7741 6.8092 6.8288 15.1070 15.1132 15.3629 15.3676 16.1726 16.1799 17.1320 17.1327 k = 0.2843 0.5000 0.3536 ( 1452 PWs) bands (ev): -5.8399 -5.8242 -5.7410 -5.6554 -4.7004 -4.5392 -4.3758 -4.3582 -4.2580 -4.2350 -3.3236 -3.2868 -3.0492 -3.0470 2.4036 2.4126 3.1725 3.1736 5.2032 5.2403 5.6696 5.6702 6.7055 6.7147 6.7400 6.7551 15.0533 15.0597 15.2909 15.2955 16.2750 16.2825 17.2346 17.2353 k = 0.2941 0.5000 0.3536 ( 1452 PWs) bands (ev): -5.8313 -5.8157 -5.7374 -5.6537 -4.6949 -4.5435 -4.3710 -4.3563 -4.2549 -4.2359 -3.2979 -3.2628 -3.0388 -3.0357 2.4530 2.4621 3.2316 3.2328 5.1066 5.1435 5.5930 5.5936 6.6363 6.6533 6.6720 6.6797 15.0020 15.0084 15.2223 15.2268 16.3780 16.3857 17.3377 17.3384 k = 0.3039 0.5000 0.3536 ( 1448 PWs) bands (ev): -5.8230 -5.8076 -5.7336 -5.6523 -4.6893 -4.5477 -4.3664 -4.3542 -4.2517 -4.2368 -3.2719 -3.2388 -3.0284 -3.0243 2.5026 2.5117 3.2919 3.2933 5.0142 5.0510 5.5189 5.5195 6.5625 6.5893 6.6031 6.6050 14.9535 14.9600 15.1571 15.1614 16.4811 16.4889 17.4413 17.4420 k = 0.3137 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.8149 -5.8000 -5.7298 -5.6513 -4.6837 -4.5518 -4.3621 -4.3520 -4.2486 -4.2377 -3.2460 -3.2150 -3.0181 -3.0130 2.5521 2.5612 3.3532 3.3547 4.9264 4.9629 5.4477 5.4482 6.4853 6.5191 6.5292 6.5378 14.9080 14.9144 15.0952 15.0994 16.5836 16.5915 17.5452 17.5460 k = 0.3235 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.8071 -5.7927 -5.7258 -5.6504 -4.6782 -4.5558 -4.3580 -4.3496 -4.2456 -4.2384 -3.2201 -3.1915 -3.0079 -3.0017 2.6012 2.6102 3.4154 3.4170 4.8438 4.8800 5.3796 5.3800 6.4059 6.4405 6.4607 6.4699 14.8657 14.8719 15.0369 15.0409 16.6853 16.6933 17.6495 17.6503 k = 0.3333 0.5000 0.3536 ( 1460 PWs) bands (ev): -5.7996 -5.7861 -5.7216 -5.6498 -4.6728 -4.5598 -4.3541 -4.3470 -4.2426 -4.2390 -3.1944 -3.1685 -2.9978 -2.9904 2.6494 2.6583 3.4784 3.4801 4.7668 4.8027 5.3149 5.3152 6.3248 6.3591 6.3921 6.4008 14.8265 14.8325 14.9820 14.9859 16.7857 16.7937 17.7542 17.7550 k = 0.3431 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.7925 -5.7799 -5.7172 -5.6493 -4.6675 -4.5635 -4.3504 -4.3443 -4.2398 -4.2394 -3.1690 -3.1460 -2.9879 -2.9793 2.6965 2.7052 3.5418 3.5437 4.6960 4.7317 5.2539 5.2541 6.2425 6.2765 6.3223 6.3305 14.7904 14.7962 14.9306 14.9344 16.8845 16.8923 17.8591 17.8600 k = 0.3529 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.7857 -5.7743 -5.7127 -5.6489 -4.6624 -4.5672 -4.3469 -4.3416 -4.2397 -4.2371 -3.1443 -3.1242 -2.9782 -2.9682 2.7418 2.7503 3.6055 3.6075 4.6320 4.6674 5.1969 5.1971 6.1593 6.1930 6.2512 6.2590 14.7573 14.7629 14.8827 14.8862 16.9813 16.9889 17.9643 17.9653 k = 0.3627 0.5000 0.3536 ( 1460 PWs) bands (ev): -5.7794 -5.7693 -5.7080 -5.6487 -4.6576 -4.5708 -4.3437 -4.3389 -4.2398 -4.2346 -3.1202 -3.1032 -2.9686 -2.9574 2.7849 2.7931 3.6691 3.6712 4.5754 4.6104 5.1442 5.1443 6.0756 6.1090 6.1790 6.1864 14.7271 14.7325 14.8382 14.8415 17.0754 17.0827 18.0698 18.0709 k = 0.3725 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.7735 -5.7648 -5.7032 -5.6485 -4.6529 -4.5743 -4.3406 -4.3361 -4.2398 -4.2323 -3.0969 -3.0832 -2.9594 -2.9467 2.8252 2.8331 3.7323 3.7346 4.5268 4.5614 5.0965 5.0965 5.9917 6.0248 6.1057 6.1129 14.6998 14.7048 14.7971 14.8002 17.1666 17.1734 18.1755 18.1767 k = 0.3824 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.7681 -5.7609 -5.6984 -5.6485 -4.6485 -4.5776 -4.3377 -4.3334 -4.2396 -4.2302 -3.0748 -3.0643 -2.9503 -2.9364 2.8623 2.8697 3.7947 3.7970 4.4867 4.5208 5.0539 5.0539 5.9079 5.9407 6.0316 6.0384 14.6751 14.6799 14.7593 14.7622 17.2539 17.2601 18.2812 18.2827 k = 0.3922 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.7632 -5.7574 -5.6936 -5.6485 -4.6444 -4.5808 -4.3351 -4.3308 -4.2392 -4.2284 -3.0539 -3.0466 -2.9415 -2.9264 2.8957 2.9026 3.8555 3.8579 4.4555 4.4891 5.0172 5.0172 5.8247 5.8571 5.9568 5.9633 14.6530 14.6575 14.7248 14.7274 17.3367 17.3422 18.3870 18.3888 k = 0.4020 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.7588 -5.7543 -5.6889 -5.6486 -4.6404 -4.5840 -4.3326 -4.3284 -4.2386 -4.2268 -3.0345 -3.0302 -2.9329 -2.9167 2.9249 2.9313 3.9142 3.9167 4.4335 4.4665 4.9869 4.9870 5.7424 5.7744 5.8814 5.8877 14.6334 14.6375 14.6935 14.6959 17.4142 17.4189 18.4926 18.4948 k = 0.4118 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.7550 -5.7517 -5.6844 -5.6487 -4.6367 -4.5870 -4.3303 -4.3261 -4.2378 -4.2255 -3.0169 -3.0153 -2.9245 -2.9076 2.9498 2.9557 3.9701 3.9725 4.4207 4.4530 4.9639 4.9639 5.6616 5.6929 5.8058 5.8118 14.6161 14.6198 14.6654 14.6676 17.4855 17.4894 18.5978 18.6007 k = 0.4216 0.5000 0.3536 ( 1452 PWs) bands (ev): -5.7515 -5.7493 -5.6800 -5.6489 -4.6332 -4.5899 -4.3281 -4.3241 -4.2368 -4.2245 -3.0018 -3.0011 -2.9162 -2.8991 2.9704 2.9757 4.0220 4.0245 4.4169 4.4482 4.9488 4.9489 5.5830 5.6135 5.7302 5.7360 14.6011 14.6044 14.6405 14.6425 17.5500 17.5531 18.7023 18.7062 k = 0.4314 0.5000 0.3536 ( 1452 PWs) bands (ev): -5.7487 -5.7473 -5.6759 -5.6492 -4.6299 -4.5927 -4.3262 -4.3223 -4.2357 -4.2238 -2.9898 -2.9874 -2.9082 -2.8914 2.9868 2.9915 4.0693 4.0716 4.4214 4.4515 4.9426 4.9428 5.5072 5.5366 5.6548 5.6603 14.5881 14.5910 14.6186 14.6204 17.6069 17.6092 18.8055 18.8109 k = 0.4412 0.5000 0.3536 ( 1456 PWs) bands (ev): -5.7463 -5.7455 -5.6721 -5.6496 -4.6269 -4.5954 -4.3244 -4.3209 -4.2345 -4.2235 -2.9794 -2.9758 -2.9004 -2.8845 2.9994 3.0034 4.1108 4.1130 4.4331 4.4616 4.9458 4.9463 5.4353 5.4632 5.5800 5.5852 14.5770 14.5796 14.5998 14.6013 17.6558 17.6575 18.9059 18.9145 k = 0.4510 0.5000 0.3536 ( 1452 PWs) bands (ev): -5.7442 -5.7440 -5.6685 -5.6501 -4.6239 -4.5981 -4.3229 -4.3197 -4.2332 -4.2234 -2.9705 -2.9664 -2.8929 -2.8786 3.0087 3.0121 4.1458 4.1479 4.4506 4.4771 4.9589 4.9598 5.3687 5.3945 5.5062 5.5111 14.5681 14.5702 14.5840 14.5853 17.6966 17.6977 19.0011 19.0160 k = 0.4608 0.5000 0.3536 ( 1452 PWs) bands (ev): -5.7427 -5.7427 -5.6653 -5.6508 -4.6211 -4.6007 -4.3215 -4.3188 -4.2318 -4.2235 -2.9631 -2.9592 -2.8861 -2.8739 3.0153 3.0180 4.1741 4.1759 4.4720 4.4956 4.9820 4.9833 5.3090 5.3320 5.4340 5.4385 14.5608 14.5625 14.5712 14.5721 17.7293 17.7300 19.0881 19.1136 k = 0.4706 0.5000 0.3536 ( 1448 PWs) bands (ev): -5.7417 -5.7416 -5.6624 -5.6517 -4.6184 -4.6032 -4.3203 -4.3182 -4.2304 -4.2239 -2.9573 -2.9539 -2.8800 -2.8705 3.0198 3.0219 4.1955 4.1969 4.4948 4.5144 5.0145 5.0162 5.2585 5.2776 5.3640 5.3682 14.5553 14.5565 14.5612 14.5619 17.7542 17.7546 19.1701 19.2038 k = 0.4804 0.5000 0.3536 ( 1448 PWs) bands (ev): -5.7410 -5.7408 -5.6598 -5.6527 -4.6157 -4.6057 -4.3194 -4.3179 -4.2290 -4.2245 -2.9529 -2.9504 -2.8751 -2.8685 3.0227 3.0241 4.2104 4.2114 4.5160 4.5303 5.0552 5.0573 5.2197 5.2335 5.2978 5.3013 14.5514 14.5522 14.5542 14.5546 17.7717 17.7719 19.2530 19.2879 k = 0.4902 0.5000 0.3536 ( 1448 PWs) bands (ev): -5.7405 -5.7404 -5.6576 -5.6541 -4.6132 -4.6082 -4.3186 -4.3179 -4.2277 -4.2254 -2.9500 -2.9487 -2.8713 -2.8680 3.0244 3.0251 4.2193 4.2198 4.5323 4.5399 5.1016 5.1039 5.1937 5.2002 5.2398 5.2420 14.5491 14.5494 14.5502 14.5503 17.7820 17.7820 19.3376 19.3705 k = 0.5000 0.5000 0.3536 ( 1448 PWs) bands (ev): -5.7403 -5.7403 -5.6557 -5.6557 -4.6107 -4.6107 -4.3181 -4.3181 -4.2265 -4.2265 -2.9486 -2.9486 -2.8689 -2.8689 3.0252 3.0252 4.2223 4.2223 4.5408 4.5408 5.1382 5.1382 5.1751 5.1751 5.2130 5.2130 14.5483 14.5483 14.5489 14.5489 17.7854 17.7854 19.4099 19.4099 k = 0.5000 0.5000 0.3536 ( 1448 PWs) bands (ev): -5.7403 -5.7403 -5.6557 -5.6557 -4.6107 -4.6107 -4.3181 -4.3181 -4.2265 -4.2265 -2.9486 -2.9486 -2.8689 -2.8689 3.0252 3.0252 4.2223 4.2223 4.5408 4.5408 5.1382 5.1382 5.1751 5.1751 5.2130 5.2130 14.5483 14.5483 14.5489 14.5489 17.7854 17.7854 19.4099 19.4099 k = 0.4930 0.4930 0.3536 ( 1448 PWs) bands (ev): -5.7405 -5.7404 -5.6576 -5.6541 -4.6132 -4.6081 -4.3187 -4.3179 -4.2277 -4.2254 -2.9500 -2.9487 -2.8714 -2.8679 3.0244 3.0251 4.2191 4.2197 4.5323 4.5399 5.1003 5.1026 5.1951 5.2018 5.2403 5.2419 14.5492 14.5494 14.5502 14.5502 17.7819 17.7819 19.3223 19.3484 k = 0.4859 0.4859 0.3536 ( 1448 PWs) bands (ev): -5.7410 -5.7408 -5.6598 -5.6528 -4.6158 -4.6056 -4.3194 -4.3179 -4.2291 -4.2245 -2.9530 -2.9506 -2.8754 -2.8684 3.0228 3.0242 4.2095 4.2110 4.5167 4.5304 5.0500 5.0523 5.2257 5.2399 5.2980 5.3009 14.5519 14.5527 14.5540 14.5544 17.7714 17.7716 19.2109 19.2370 k = 0.4789 0.4789 0.3536 ( 1448 PWs) bands (ev): -5.7418 -5.7416 -5.6623 -5.6518 -4.6184 -4.6031 -4.3204 -4.3182 -4.2305 -4.2238 -2.9575 -2.9543 -2.8808 -2.8701 3.0203 3.0224 4.1924 4.1956 4.4991 4.5165 5.0020 5.0041 5.2713 5.2907 5.3641 5.3675 14.5564 14.5577 14.5607 14.5614 17.7542 17.7544 19.0972 19.1234 k = 0.4718 0.4718 0.3536 ( 1452 PWs) bands (ev): -5.7428 -5.7428 -5.6649 -5.6513 -4.6211 -4.6006 -4.3217 -4.3187 -4.2321 -4.2233 -2.9637 -2.9600 -2.8877 -2.8728 3.0172 3.0199 4.1669 4.1726 4.4841 4.5028 4.9576 4.9595 5.3298 5.3528 5.4347 5.4384 14.5628 14.5645 14.5701 14.5711 17.7303 17.7306 18.9839 19.0101 k = 0.4648 0.4648 0.3536 ( 1458 PWs) bands (ev): -5.7445 -5.7442 -5.6677 -5.6511 -4.6239 -4.5982 -4.3231 -4.3195 -4.2338 -4.2230 -2.9718 -2.9681 -2.8958 -2.8764 3.0134 3.0167 4.1332 4.1419 4.4746 4.4931 4.9174 4.9190 5.3980 5.4234 5.5086 5.5126 14.5711 14.5732 14.5822 14.5835 17.7002 17.7005 18.8718 18.8980 k = 0.4577 0.4577 0.3536 ( 1454 PWs) bands (ev): -5.7467 -5.7458 -5.6706 -5.6512 -4.6266 -4.5956 -4.3248 -4.3206 -4.2354 -4.2230 -2.9818 -2.9786 -2.9048 -2.8806 3.0091 3.0130 4.0928 4.1045 4.4717 4.4890 4.8815 4.8829 5.4732 5.5002 5.5856 5.5898 14.5813 14.5839 14.5973 14.5988 17.6642 17.6646 18.7614 18.7876 k = 0.4507 0.4507 0.3536 ( 1450 PWs) bands (ev): -5.7494 -5.7477 -5.6734 -5.6517 -4.6295 -4.5931 -4.3267 -4.3218 -4.2370 -4.2231 -2.9941 -2.9915 -2.9145 -2.8854 3.0043 3.0088 4.0475 4.0620 4.4749 4.4907 4.8499 4.8511 5.5536 5.5816 5.6650 5.6694 14.5936 14.5966 14.6151 14.6169 17.6228 17.6233 18.6530 18.6791 k = 0.4437 0.4437 0.3536 ( 1450 PWs) bands (ev): -5.7527 -5.7499 -5.6762 -5.6526 -4.6324 -4.5907 -4.3287 -4.3234 -4.2386 -4.2235 -3.0088 -3.0071 -2.9248 -2.8906 2.9994 3.0042 3.9995 4.0163 4.4834 4.4978 4.8226 4.8237 5.6377 5.6663 5.7467 5.7512 14.6079 14.6113 14.6357 14.6379 17.5765 17.5770 18.5466 18.5726 k = 0.4366 0.4366 0.3536 ( 1450 PWs) bands (ev): -5.7566 -5.7524 -5.6789 -5.6538 -4.6355 -4.5882 -4.3309 -4.3251 -4.2403 -4.2241 -3.0260 -3.0252 -2.9353 -2.8963 2.9943 2.9996 3.9504 3.9691 4.4962 4.5095 4.7997 4.8007 5.7243 5.7533 5.8303 5.8349 14.6242 14.6280 14.6592 14.6616 17.5258 17.5264 18.4426 18.4683 k = 0.4296 0.4296 0.3536 ( 1454 PWs) bands (ev): -5.7613 -5.7553 -5.6816 -5.6554 -4.6387 -4.5858 -4.3332 -4.3272 -4.2419 -4.2249 -3.0458 -3.0458 -2.9462 -2.9026 2.9893 2.9949 3.9015 3.9217 4.5128 4.5252 4.7811 4.7820 5.8129 5.8420 5.9155 5.9202 14.6426 14.6468 14.6855 14.6883 17.4713 17.4720 18.3411 18.3664 k = 0.4225 0.4225 0.3536 ( 1450 PWs) bands (ev): -5.7667 -5.7585 -5.6840 -5.6573 -4.6420 -4.5834 -4.3356 -4.3294 -4.2434 -4.2259 -3.0687 -3.0680 -2.9574 -2.9094 2.9846 2.9904 3.8537 3.8751 4.5328 4.5444 4.7668 4.7676 5.9026 5.9316 6.0019 6.0066 14.6632 14.6678 14.7146 14.7178 17.4138 17.4145 18.2422 18.2670 k = 0.4155 0.4155 0.3536 ( 1452 PWs) bands (ev): -5.7728 -5.7622 -5.6864 -5.6595 -4.6454 -4.5810 -4.3381 -4.3319 -4.2448 -4.2271 -3.0939 -3.0925 -2.9689 -2.9169 2.9803 2.9863 3.8078 3.8300 4.5556 4.5667 4.7565 4.7573 5.9929 6.0218 6.0893 6.0940 14.6860 14.6909 14.7467 14.7502 17.3535 17.3543 18.1460 18.1701 k = 0.4085 0.4085 0.3536 ( 1452 PWs) bands (ev): -5.7795 -5.7663 -5.6886 -5.6619 -4.6489 -4.5787 -4.3407 -4.3345 -4.2462 -4.2284 -3.1211 -3.1192 -2.9809 -2.9251 2.9767 2.9828 3.7642 3.7871 4.5812 4.5919 4.7503 4.7512 6.0834 6.1120 6.1774 6.1820 14.7110 14.7163 14.7817 14.7856 17.2912 17.2920 18.0525 18.0759 k = 0.4014 0.4014 0.3536 ( 1452 PWs) bands (ev): -5.7870 -5.7709 -5.6907 -5.6647 -4.6526 -4.5765 -4.3432 -4.3373 -4.2475 -4.2300 -3.1502 -3.1478 -2.9935 -2.9342 2.9739 2.9801 3.7234 3.7469 4.6093 4.6197 4.7480 4.7490 6.1737 6.2020 6.2658 6.2703 14.7383 14.7439 14.8196 14.8239 17.2272 17.2280 17.9618 17.9844 k = 0.3944 0.3944 0.3536 ( 1448 PWs) bands (ev): -5.7950 -5.7760 -5.6928 -5.6677 -4.6563 -4.5743 -4.3458 -4.3402 -4.2486 -4.2316 -3.1812 -3.1782 -3.0067 -2.9441 2.9721 2.9783 3.6857 3.7095 4.6397 4.6500 4.7494 4.7507 6.2635 6.2912 6.3542 6.3585 14.7680 14.7739 14.8604 14.8653 17.1620 17.1629 17.8739 17.8956 k = 0.3873 0.3873 0.3536 ( 1448 PWs) bands (ev): -5.8037 -5.7816 -5.6948 -5.6709 -4.6602 -4.5723 -4.3483 -4.3434 -4.2496 -4.2334 -3.2137 -3.2102 -3.0207 -2.9549 2.9715 2.9775 3.6513 3.6754 4.6722 4.6827 4.7544 4.7561 6.3522 6.3794 6.4424 6.4464 14.8002 14.8063 14.9043 14.9096 17.0960 17.0969 17.7889 17.8094 k = 0.3803 0.3803 0.3536 ( 1452 PWs) bands (ev): -5.8130 -5.7878 -5.6969 -5.6744 -4.6642 -4.5704 -4.3508 -4.3466 -4.2506 -4.2354 -3.2478 -3.2436 -3.0355 -2.9668 2.9722 2.9781 3.6204 3.6446 4.7066 4.7176 4.7630 4.7654 6.4397 6.4661 6.5299 6.5337 14.8348 14.8412 14.9511 14.9570 17.0293 17.0303 17.7066 17.7259 k = 0.3732 0.3732 0.3536 ( 1452 PWs) bands (ev): -5.8227 -5.7944 -5.6990 -5.6780 -4.6683 -4.5687 -4.3533 -4.3499 -4.2514 -4.2374 -3.2831 -3.2782 -3.0510 -2.9796 2.9744 2.9800 3.5931 3.6174 4.7422 4.7544 4.7751 4.7790 6.5256 6.5513 6.6166 6.6200 14.8719 14.8786 15.0010 15.0074 16.9623 16.9633 17.6270 17.6451 k = 0.3662 0.3662 0.3536 ( 1448 PWs) bands (ev): -5.8329 -5.8016 -5.7013 -5.6819 -4.6724 -4.5671 -4.3558 -4.3533 -4.2521 -4.2396 -3.3197 -3.3140 -3.0674 -2.9933 2.9781 2.9836 3.5696 3.5940 4.7759 4.7873 4.7965 4.7998 6.6096 6.6345 6.7021 6.7051 14.9116 14.9185 15.0539 15.0609 16.8952 16.8962 17.5501 17.5667 k = 0.3592 0.3592 0.3536 ( 1450 PWs) bands (ev): -5.8435 -5.8095 -5.7037 -5.6860 -4.6767 -4.5659 -4.3582 -4.3567 -4.2527 -4.2418 -3.3572 -3.3507 -3.0847 -3.0082 2.9836 2.9887 3.5499 3.5743 4.8023 4.8068 4.8329 4.8364 6.6915 6.7154 6.7861 6.7886 14.9540 14.9610 15.1098 15.1174 16.8280 16.8291 17.4757 17.4907 k = 0.3521 0.3521 0.3536 ( 1452 PWs) bands (ev): -5.8547 -5.8179 -5.7063 -5.6904 -4.6810 -4.5648 -4.3606 -4.3601 -4.2532 -4.2441 -3.3956 -3.3881 -3.1029 -3.0240 2.9908 2.9956 3.5342 3.5585 4.8257 4.8278 4.8738 4.8796 6.7710 6.7939 6.8683 6.8703 14.9989 15.0061 15.1687 15.1769 16.7609 16.7620 17.4037 17.4170 k = 0.3451 0.3451 0.3536 ( 1452 PWs) bands (ev): -5.8661 -5.8268 -5.7091 -5.6949 -4.6854 -4.5641 -4.3634 -4.3630 -4.2534 -4.2465 -3.4348 -3.4261 -3.1220 -3.0409 3.0000 3.0044 3.5225 3.5466 4.8504 4.8514 4.9182 4.9248 6.8478 6.8697 6.9486 6.9500 15.0465 15.0539 15.2305 15.2395 16.6939 16.6951 17.3339 17.3454 k = 0.3380 0.3380 0.3536 ( 1448 PWs) bands (ev): -5.8779 -5.8362 -5.7122 -5.6998 -4.6897 -4.5637 -4.3666 -4.3654 -4.2535 -4.2489 -3.4744 -3.4646 -3.1419 -3.0588 3.0111 3.0151 3.5148 3.5387 4.8773 4.8777 4.9649 4.9720 6.9218 6.9425 7.0265 7.0274 15.0968 15.1043 15.2953 15.3050 16.6272 16.6284 17.2661 17.2758 k = 0.3310 0.3310 0.3536 ( 1448 PWs) bands (ev): -5.8901 -5.8462 -5.7156 -5.7049 -4.6940 -4.5636 -4.3698 -4.3678 -4.2535 -4.2514 -3.5145 -3.5033 -3.1627 -3.0777 3.0241 3.0278 3.5110 3.5347 4.9064 4.9064 5.0135 5.0209 6.9927 7.0122 7.1020 7.1022 15.1497 15.1573 15.3629 15.3733 16.5605 16.5618 17.2001 17.2078 k = 0.3239 0.3239 0.3536 ( 1452 PWs) bands (ev): -5.9025 -5.8568 -5.7193 -5.7104 -4.6984 -4.5641 -4.3728 -4.3703 -4.2540 -4.2534 -3.5547 -3.5420 -3.1843 -3.0975 3.0393 3.0424 3.5113 3.5347 4.9375 4.9379 5.0640 5.0717 7.0602 7.0785 7.1741 7.1745 15.2052 15.2128 15.4331 15.4444 16.4940 16.4953 17.1357 17.1412 k = 0.3169 0.3169 0.3536 ( 1452 PWs) bands (ev): -5.9152 -5.8678 -5.7235 -5.7162 -4.7027 -4.5649 -4.3755 -4.3729 -4.2566 -4.2530 -3.5951 -3.5807 -3.2067 -3.1183 3.0564 3.0591 3.5155 3.5386 4.9709 4.9716 5.1162 5.1241 7.1244 7.1414 7.2432 7.2443 15.2631 15.2708 15.5059 15.5180 16.4276 16.4288 17.0726 17.0760 k = 0.3099 0.3099 0.3536 ( 1452 PWs) bands (ev): -5.9281 -5.8792 -5.7280 -5.7223 -4.7069 -4.5663 -4.3781 -4.3756 -4.2593 -4.2525 -3.6353 -3.6192 -3.2298 -3.1399 3.0756 3.0779 3.5236 3.5463 5.0064 5.0073 5.1700 5.1781 7.1849 7.2005 7.3091 7.3108 15.3233 15.3310 15.5811 15.5940 16.3612 16.3625 17.0106 17.0118 k = 0.3028 0.3028 0.3536 ( 1456 PWs) bands (ev): -5.9412 -5.8911 -5.7330 -5.7288 -4.7110 -4.5681 -4.3805 -4.3784 -4.2620 -4.2519 -3.6753 -3.6572 -3.2536 -3.1623 3.0970 3.0987 3.5356 3.5580 5.0440 5.0451 5.2254 5.2337 7.2417 7.2559 7.3715 7.3739 15.3855 15.3933 15.6581 15.6719 16.2949 16.2962 16.9486 16.9496 k = 0.2958 0.2958 0.3536 ( 1456 PWs) bands (ev): -5.9546 -5.9034 -5.7384 -5.7358 -4.7150 -4.5705 -4.3825 -4.3813 -4.2648 -4.2511 -3.7148 -3.6947 -3.2781 -3.1855 3.1203 3.1216 3.5515 3.5734 5.0834 5.0848 5.2823 5.2907 7.2946 7.3075 7.4305 7.4335 15.4495 15.4572 15.7367 15.7512 16.2288 16.2301 16.8865 16.8897 k = 0.2887 0.2887 0.3536 ( 1452 PWs) bands (ev): -5.9680 -5.9160 -5.7444 -5.7432 -4.7189 -4.5735 -4.3845 -4.3842 -4.2676 -4.2501 -3.7538 -3.7315 -3.3031 -3.2094 3.1458 3.1466 3.5711 3.5926 5.1248 5.1264 5.3407 5.3492 7.3437 7.3551 7.4859 7.4896 15.5147 15.5224 15.8159 15.8312 16.1632 16.1645 16.8257 16.8309 k = 0.2817 0.2817 0.3536 ( 1460 PWs) bands (ev): -5.9817 -5.9290 -5.7510 -5.7509 -4.7227 -4.5770 -4.3879 -4.3858 -4.2706 -4.2490 -3.7921 -3.7675 -3.3287 -3.2339 3.1732 3.1735 3.5943 3.6153 5.1678 5.1696 5.4003 5.4090 7.3886 7.3985 7.5375 7.5418 15.5800 15.5876 15.8945 15.9102 16.0985 16.0999 16.7672 16.7741 k = 0.2746 0.2746 0.3536 ( 1456 PWs) bands (ev): -5.9954 -5.9423 -5.7594 -5.7580 -4.7262 -4.5811 -4.3915 -4.3869 -4.2735 -4.2477 -3.8295 -3.8024 -3.3546 -3.2590 3.2025 3.2027 3.6212 3.6417 5.2125 5.2145 5.4612 5.4701 7.4296 7.4381 7.5853 7.5903 15.6435 15.6508 15.9705 15.9861 16.0366 16.0382 16.7128 16.7208 k = 0.2676 0.2676 0.3536 ( 1456 PWs) bands (ev): -6.0092 -5.9558 -5.7682 -5.7656 -4.7296 -4.5857 -4.3955 -4.3878 -4.2766 -4.2463 -3.8659 -3.8362 -3.3810 -3.2846 3.2334 3.2341 3.6516 3.6715 5.2587 5.2608 5.5233 5.5323 7.4665 7.4735 7.6293 7.6349 15.7000 15.7066 15.9822 15.9843 16.0403 16.0546 16.6663 16.6741 k = 0.2606 0.2606 0.3536 ( 1456 PWs) bands (ev): -6.0230 -5.9696 -5.7776 -5.7738 -4.7328 -4.5909 -4.3998 -4.3885 -4.2797 -4.2447 -3.9011 -3.8688 -3.4076 -3.3106 3.2662 3.2674 3.6854 3.7046 5.3063 5.3086 5.5865 5.5957 7.4994 7.5048 7.6694 7.6756 15.7347 15.7396 15.9495 15.9533 16.0971 16.1080 16.6348 16.6402 k = 0.2535 0.2535 0.3536 ( 1448 PWs) bands (ev): -6.0369 -5.9836 -5.7875 -5.7827 -4.7358 -4.5965 -4.4045 -4.3889 -4.2828 -4.2431 -3.9349 -3.9000 -3.4344 -3.3370 3.3009 3.3026 3.7224 3.7411 5.3553 5.3578 5.6507 5.6601 7.5282 7.5322 7.7056 7.7124 15.7251 15.7275 15.9607 15.9669 16.1312 16.1360 16.6284 16.6284 k = 0.2465 0.2465 0.3536 ( 1450 PWs) bands (ev): -6.0508 -5.9978 -5.7979 -5.7921 -4.7386 -4.6026 -4.4096 -4.3893 -4.2861 -4.2414 -3.9674 -3.9297 -3.4614 -3.3636 3.3374 3.3396 3.7626 3.7806 5.4055 5.4081 5.7159 5.7254 7.5530 7.5554 7.7379 7.7453 15.6781 15.6793 16.0083 16.0156 16.1307 16.1340 16.6470 16.6545 k = 0.2394 0.2394 0.3536 ( 1456 PWs) bands (ev): -6.0647 -6.0121 -5.8089 -5.8022 -4.7411 -4.6092 -4.4154 -4.3895 -4.2895 -4.2396 -3.9983 -3.9579 -3.4884 -3.3905 3.3756 3.3782 3.8059 3.8232 5.4568 5.4594 5.7818 5.7914 7.5738 7.5747 7.7662 7.7742 15.6151 15.6158 16.0699 16.0779 16.0954 16.1058 16.6956 16.7099 k = 0.2324 0.2324 0.3536 ( 1456 PWs) bands (ev): -6.0785 -6.0264 -5.8204 -5.8129 -4.7434 -4.6162 -4.4216 -4.3896 -4.2929 -4.2377 -4.0274 -3.9846 -3.5154 -3.4175 3.4155 3.4186 3.8521 3.8686 5.5090 5.5118 5.8485 5.8582 7.5902 7.5908 7.7908 7.7993 15.5456 15.5458 16.0378 16.0539 16.1373 16.1452 16.7658 16.7853 k = 0.2254 0.2254 0.3536 ( 1460 PWs) bands (ev): -6.0923 -6.0409 -5.8325 -5.8242 -4.7455 -4.6234 -4.4284 -4.3897 -4.2964 -4.2357 -4.0549 -4.0096 -3.5423 -3.4445 3.4570 3.4605 3.9011 3.9169 5.5621 5.5650 5.9157 5.9256 7.6018 7.6039 7.8117 7.8207 15.4725 15.4725 15.9673 15.9873 16.2050 16.2130 16.8497 16.8730 k = 0.2183 0.2183 0.3536 ( 1460 PWs) bands (ev): -6.1060 -6.0553 -5.8450 -5.8361 -4.7473 -4.6310 -4.4357 -4.3897 -4.2999 -4.2338 -4.0803 -4.0329 -3.5690 -3.4716 3.4999 3.5039 3.9528 3.9678 5.6159 5.6189 5.9834 5.9934 7.6098 7.6134 7.8289 7.8384 15.3970 15.3972 15.8878 15.9108 16.2718 16.2800 16.9418 16.9682 k = 0.2113 0.2113 0.3536 ( 1460 PWs) bands (ev): -6.1195 -6.0698 -5.8580 -5.8486 -4.7489 -4.6387 -4.4437 -4.3899 -4.3035 -4.2318 -4.1038 -4.0545 -3.5954 -3.4985 3.5443 3.5487 4.0070 4.0212 5.6704 5.6735 6.0516 6.0616 7.6141 7.6192 7.8425 7.8525 15.3200 15.3204 15.8021 15.8274 16.3366 16.3449 17.0393 17.0683 k = 0.2042 0.2042 0.3536 ( 1460 PWs) bands (ev): -6.1329 -6.0842 -5.8714 -5.8615 -4.7502 -4.6466 -4.4523 -4.3902 -4.3071 -4.2299 -4.1254 -4.0744 -3.6215 -3.5254 3.5901 3.5948 4.0636 4.0770 5.7254 5.7286 6.1200 6.1301 7.6150 7.6215 7.8527 7.8631 15.2419 15.2425 15.7119 15.7390 16.3984 16.4068 17.1402 17.1715 k = 0.1972 0.1972 0.3536 ( 1460 PWs) bands (ev): -6.1461 -6.0985 -5.8852 -5.8750 -4.7513 -4.6545 -4.4615 -4.3907 -4.3106 -4.2281 -4.1448 -4.0927 -3.6472 -3.5520 3.6370 3.6421 4.1226 4.1351 5.7808 5.7840 6.1885 6.1986 7.6125 7.6205 7.8597 7.8705 15.1630 15.1639 15.6183 15.6469 16.4564 16.4649 17.2435 17.2770 k = 0.1901 0.1901 0.3536 ( 1460 PWs) bands (ev): -6.1592 -6.1127 -5.8994 -5.8889 -4.7521 -4.6624 -4.4711 -4.3916 -4.3140 -4.2264 -4.1622 -4.1094 -3.6723 -3.5784 3.6851 3.6905 4.1836 4.1953 5.8365 5.8397 6.2570 6.2671 7.6068 7.6162 7.8634 7.8745 15.0837 15.0847 15.5222 15.5519 16.5099 16.5185 17.3484 17.3841 k = 0.1831 0.1831 0.3536 ( 1458 PWs) bands (ev): -6.1720 -6.1268 -5.9138 -5.9031 -4.7526 -4.6703 -4.4812 -4.3928 -4.3171 -4.2249 -4.1775 -4.1245 -3.6970 -3.6044 3.7341 3.7398 4.2466 4.2574 5.8922 5.8955 6.3253 6.3355 7.5980 7.6087 7.8641 7.8756 15.0042 15.0054 15.4242 15.4549 16.5584 16.5671 17.4546 17.4923 k = 0.1761 0.1761 0.3536 ( 1458 PWs) bands (ev): -6.1845 -6.1407 -5.9285 -5.9177 -4.7530 -4.6781 -4.4916 -4.3946 -4.3199 -4.2240 -4.1906 -4.1382 -3.7210 -3.6301 3.7841 3.7901 4.3115 4.3213 5.9479 5.9512 6.3934 6.4035 7.5861 7.5982 7.8619 7.8736 14.9247 14.9262 15.3250 15.3565 16.6014 16.6101 17.5614 17.6012 k = 0.1690 0.1690 0.3536 ( 1466 PWs) bands (ev): -6.1968 -6.1544 -5.9434 -5.9326 -4.7531 -4.6857 -4.5022 -4.3971 -4.3223 -4.2244 -4.2008 -4.1506 -3.7443 -3.6554 3.8347 3.8410 4.3780 4.3869 6.0034 6.0067 6.4609 6.4709 7.5714 7.5847 7.8569 7.8689 14.8456 14.8472 15.2251 15.2571 16.6385 16.6472 17.6685 17.7105 k = 0.1620 0.1620 0.3536 ( 1454 PWs) bands (ev): -6.2087 -6.1678 -5.9584 -5.9476 -4.7529 -4.6930 -4.5129 -4.4002 -4.3241 -4.2273 -4.2070 -4.1617 -3.7668 -3.6800 3.8860 3.8925 4.4461 4.4541 6.0586 6.0618 6.5279 6.5378 7.5540 7.5686 7.8495 7.8617 14.7672 14.7690 15.1251 15.1576 16.6697 16.6783 17.7756 17.8201 k = 0.1549 0.1549 0.3536 ( 1454 PWs) bands (ev): -6.2204 -6.1809 -5.9734 -5.9627 -4.7526 -4.7000 -4.5234 -4.4040 -4.3253 -4.2329 -4.2092 -4.1716 -3.7886 -3.7043 3.9377 3.9445 4.5156 4.5225 6.1133 6.1165 6.5941 6.6037 7.5340 7.5498 7.8396 7.8520 14.6897 14.6916 15.0255 15.0581 16.6949 16.7033 17.8822 17.9296 k = 0.1479 0.1479 0.3536 ( 1454 PWs) bands (ev): -6.2317 -6.1938 -5.9885 -5.9779 -4.7521 -4.7067 -4.5338 -4.4086 -4.3259 -4.2396 -4.2093 -4.1806 -3.8095 -3.7279 3.9898 3.9967 4.5862 4.5921 6.1673 6.1704 6.6592 6.6685 7.5116 7.5286 7.8276 7.8400 14.6133 14.6153 14.9266 14.9593 16.7143 16.7225 17.9873 18.0386 k = 0.1408 0.1408 0.3536 ( 1458 PWs) bands (ev): -6.2426 -6.2063 -6.0034 -5.9930 -4.7515 -4.7131 -4.5438 -4.4139 -4.3259 -4.2460 -4.2087 -4.1887 -3.8295 -3.7509 4.0419 4.0490 4.6578 4.6628 6.2204 6.2235 6.7231 6.7320 7.4868 7.5049 7.8135 7.8260 14.5383 14.5405 14.8290 14.8616 16.7281 16.7360 18.0887 18.1461 k = 0.1338 0.1338 0.3536 ( 1458 PWs) bands (ev): -6.2531 -6.2185 -6.0181 -6.0080 -4.7508 -4.7191 -4.5533 -4.4197 -4.3253 -4.2519 -4.2078 -4.1960 -3.8485 -3.7732 4.0940 4.1011 4.7302 4.7342 6.2726 6.2756 6.7856 6.7940 7.4600 7.4793 7.7977 7.8102 14.4651 14.4674 14.7332 14.7655 16.7367 16.7443 18.1795 18.2468 k = 0.1268 0.1268 0.3536 ( 1466 PWs) bands (ev): -6.2632 -6.2302 -6.0326 -6.0228 -4.7501 -4.7247 -4.5623 -4.4262 -4.3243 -4.2571 -4.2070 -4.2026 -3.8666 -3.7948 4.1458 4.1530 4.8033 4.8063 6.3235 6.3265 6.8463 6.8541 7.4312 7.4516 7.7803 7.7927 14.3939 14.3962 14.6395 14.6713 16.7406 16.7479 18.2339 18.2838 k = 0.1197 0.1197 0.3536 ( 1462 PWs) bands (ev): -6.2728 -6.2415 -6.0467 -6.0373 -4.7492 -4.7298 -4.5706 -4.4331 -4.3226 -4.2616 -4.2086 -4.2062 -3.8836 -3.8156 4.1971 4.2044 4.8768 4.8788 6.3732 6.3760 6.9050 6.9119 7.4009 7.4225 7.7617 7.7740 14.3249 14.3273 14.5484 14.5796 16.7403 16.7472 18.2244 18.2384 k = 0.1127 0.1127 0.3536 ( 1458 PWs) bands (ev): -6.2820 -6.2524 -6.0605 -6.0515 -4.7483 -4.7345 -4.5781 -4.4404 -4.3205 -4.2654 -4.2141 -4.2055 -3.8995 -3.8356 4.2478 4.2551 4.9505 4.9515 6.4213 6.4240 6.9612 6.9671 7.3693 7.3923 7.7419 7.7540 14.2585 14.2609 14.4602 14.4907 16.7365 16.7430 18.1830 18.1837 k = 0.1056 0.1056 0.3536 ( 1462 PWs) bands (ev): -6.2907 -6.2629 -6.0737 -6.0652 -4.7475 -4.7388 -4.5848 -4.4480 -4.3181 -4.2688 -4.2192 -4.2050 -3.9145 -3.8548 4.2975 4.3047 5.0241 5.0241 6.4675 6.4702 7.0141 7.0185 7.3373 7.3618 7.7213 7.7332 14.1948 14.1972 14.3753 14.4049 16.7295 16.7356 18.1286 18.1334 k = 0.0986 0.0986 0.3536 ( 1462 PWs) bands (ev): -6.2988 -6.2728 -6.0865 -6.0784 -4.7468 -4.7426 -4.5906 -4.4559 -4.3152 -4.2716 -4.2239 -4.2048 -3.9283 -3.8731 4.3461 4.3532 5.0965 5.0974 6.5119 6.5144 7.0624 7.0648 7.3061 7.3324 7.7001 7.7116 14.1341 14.1364 14.2941 14.3226 16.7202 16.7259 18.0749 18.0822 k = 0.0915 0.0915 0.3536 ( 1462 PWs) bands (ev): -6.3064 -6.2822 -6.0986 -6.0910 -4.7463 -4.7459 -4.5954 -4.4640 -4.3120 -4.2739 -4.2282 -4.2048 -3.9411 -3.8904 4.3932 4.4001 5.1683 5.1701 6.5542 6.5565 7.1028 7.1028 7.2790 7.3074 7.6785 7.6897 14.0766 14.0789 14.2170 14.2442 16.7090 16.7142 18.0231 18.0315 k = 0.0845 0.0845 0.3536 ( 1454 PWs) bands (ev): -6.3134 -6.2910 -6.1101 -6.1030 -4.7489 -4.7459 -4.5991 -4.4723 -4.3085 -4.2758 -4.2322 -4.2052 -3.9527 -3.9066 4.4386 4.4454 5.2392 5.2419 6.5942 6.5964 7.1259 7.1270 7.2643 7.2935 7.6570 7.6677 14.0225 14.0247 14.1442 14.1701 16.6964 16.7011 17.9737 17.9826 k = 0.0775 0.0775 0.3536 ( 1458 PWs) bands (ev): -6.3199 -6.2993 -6.1208 -6.1142 -4.7514 -4.7458 -4.6019 -4.4807 -4.3048 -4.2773 -4.2359 -4.2059 -3.9634 -3.9219 4.4820 4.4885 5.3089 5.3123 6.6317 6.6337 7.1246 7.1266 7.2726 7.2979 7.6356 7.6458 13.9719 13.9741 14.0761 14.1005 16.6829 16.6872 17.9269 17.9358 k = 0.0704 0.0704 0.3536 ( 1458 PWs) bands (ev): -6.3258 -6.3071 -6.1308 -6.1248 -4.7535 -4.7459 -4.6035 -4.4892 -4.3009 -4.2785 -4.2393 -4.2069 -3.9729 -3.9361 4.5231 4.5293 5.3769 5.3810 6.6666 6.6684 7.1011 7.1074 7.2984 7.3184 7.6148 7.6245 13.9252 13.9273 14.0129 14.0356 16.6690 16.6729 17.8832 17.8918 k = 0.0634 0.0634 0.3536 ( 1452 PWs) bands (ev): -6.3311 -6.3142 -6.1399 -6.1345 -4.7552 -4.7462 -4.6041 -4.4978 -4.2968 -4.2793 -4.2424 -4.2084 -3.9814 -3.9490 4.5616 4.5674 5.4427 5.4474 6.6987 6.7003 7.0686 7.0776 7.3300 7.3461 7.5949 7.6039 13.8825 13.8844 13.9550 13.9759 16.6552 16.6586 17.8428 17.8510 k = 0.0563 0.0563 0.3536 ( 1452 PWs) bands (ev): -6.3358 -6.3207 -6.1482 -6.1433 -4.7565 -4.7469 -4.6036 -4.5064 -4.2926 -4.2798 -4.2451 -4.2102 -3.9888 -3.9609 4.5972 4.6025 5.5059 5.5110 6.7278 6.7291 7.0329 7.0432 7.3617 7.3750 7.5762 7.5845 13.8438 13.8455 13.9026 13.9216 16.6417 16.6448 17.8060 17.8135 k = 0.0493 0.0493 0.3536 ( 1444 PWs) bands (ev): -6.3398 -6.3266 -6.1555 -6.1512 -4.7575 -4.7477 -4.6022 -4.5149 -4.2884 -4.2800 -4.2474 -4.2125 -3.9951 -3.9715 4.6295 4.6344 5.5656 5.5710 6.7538 6.7549 6.9967 7.0074 7.3915 7.4026 7.5589 7.5664 13.8094 13.8109 13.8560 13.8729 16.6290 16.6317 17.7729 17.7797 k = 0.0423 0.0423 0.3536 ( 1444 PWs) bands (ev): -6.3432 -6.3318 -6.1619 -6.1582 -4.7581 -4.7488 -4.5998 -4.5233 -4.2845 -4.2800 -4.2491 -4.2152 -4.0005 -3.9808 4.6584 4.6626 5.6211 5.6266 6.7766 6.7773 6.9615 6.9718 7.4182 7.4276 7.5433 7.5500 13.7793 13.7807 13.8153 13.8300 16.6174 16.6197 17.7439 17.7499 k = 0.0352 0.0352 0.3536 ( 1444 PWs) bands (ev): -6.3459 -6.3365 -6.1674 -6.1643 -4.7585 -4.7499 -4.5965 -4.5317 -4.2810 -4.2798 -4.2500 -4.2184 -4.0049 -3.9890 4.6834 4.6870 5.6714 5.6767 6.7960 6.7963 6.9287 6.9380 7.4415 7.4493 7.5297 7.5355 13.7537 13.7549 13.7807 13.7931 16.6072 16.6091 17.7192 17.7242 k = 0.0282 0.0282 0.3536 ( 1444 PWs) bands (ev): -6.3480 -6.3404 -6.1718 -6.1693 -4.7585 -4.7512 -4.5924 -4.5399 -4.2793 -4.2783 -4.2499 -4.2219 -4.0082 -3.9958 4.7043 4.7073 5.7154 5.7201 6.8117 6.8119 6.8997 6.9075 7.4610 7.4673 7.5184 7.5233 13.7327 13.7336 13.7524 13.7625 16.5985 16.6000 17.6988 17.7029 k = 0.0211 0.0211 0.3536 ( 1444 PWs) bands (ev): -6.3494 -6.3437 -6.1752 -6.1733 -4.7582 -4.7525 -4.5877 -4.5478 -4.2787 -4.2766 -4.2485 -4.2258 -4.0105 -4.0015 4.7210 4.7232 5.7518 5.7557 6.8232 6.8241 6.8761 6.8816 7.4764 7.4814 7.5095 7.5135 13.7162 13.7170 13.7306 13.7382 16.5916 16.5927 17.6829 17.6860 k = 0.0141 0.0141 0.3536 ( 1448 PWs) bands (ev): -6.3502 -6.3464 -6.1775 -6.1763 -4.7577 -4.7538 -4.5823 -4.5555 -4.2780 -4.2760 -4.2460 -4.2300 -4.0118 -4.0059 4.7331 4.7346 5.7793 5.7821 6.8300 6.8318 6.8597 6.8624 7.4874 7.4911 7.5034 7.5065 13.7045 13.7050 13.7153 13.7204 16.5866 16.5874 17.6716 17.6737 k = 0.0070 0.0070 0.3536 ( 1458 PWs) bands (ev): -6.3503 -6.3484 -6.1788 -6.1782 -4.7571 -4.7551 -4.5763 -4.5629 -4.2773 -4.2761 -4.2425 -4.2343 -4.0121 -4.0091 4.7406 4.7414 5.7966 5.7981 6.8317 6.8338 6.8522 6.8525 7.4935 7.4954 7.5011 7.5027 13.6975 13.6977 13.7066 13.7091 16.5836 16.5840 17.6650 17.6660 k = 0.0000 0.0000 0.3536 ( 1458 PWs) bands (ev): -6.3497 -6.3497 -6.1790 -6.1790 -4.7561 -4.7561 -4.5698 -4.5698 -4.2766 -4.2766 -4.2385 -4.2385 -4.0112 -4.0112 4.7434 4.7434 5.8030 5.8030 6.8320 6.8320 6.8507 6.8507 7.4953 7.4953 7.5018 7.5018 13.6952 13.6952 13.7045 13.7045 16.5828 16.5828 17.6631 17.6631 k = 0.0000 0.5000-0.0000 ( 1432 PWs) bands (ev): -5.9842 -5.9842 -5.8570 -5.8570 -4.6733 -4.6733 -4.3804 -4.3804 -4.2830 -4.2830 -3.7852 -3.7852 -3.4873 -3.4873 3.0468 3.0468 4.0095 4.0095 5.4416 5.4416 5.6417 5.6417 7.5592 7.5592 7.6803 7.6803 15.7113 15.7113 15.7835 15.7835 16.3253 16.3253 16.8040 16.8040 k = 0.0000 0.5000 0.0098 ( 1456 PWs) bands (ev): -5.9844 -5.9844 -5.8569 -5.8569 -4.6733 -4.6733 -4.3805 -4.3805 -4.2831 -4.2831 -3.7852 -3.7852 -3.4870 -3.4870 3.0423 3.0423 4.0019 4.0019 5.4495 5.4495 5.6473 5.6473 7.5592 7.5592 7.6804 7.6804 15.7063 15.7063 15.7846 15.7846 16.3269 16.3269 16.8003 16.8003 k = 0.0000 0.5000 0.0196 ( 1456 PWs) bands (ev): -5.9845 -5.9845 -5.8565 -5.8565 -4.6732 -4.6732 -4.3805 -4.3805 -4.2829 -4.2829 -3.7849 -3.7849 -3.4857 -3.4857 3.0288 3.0288 3.9799 3.9799 5.4733 5.4733 5.6641 5.6641 7.5593 7.5593 7.6811 7.6811 15.6916 15.6916 15.7885 15.7885 16.3319 16.3319 16.7893 16.7893 k = 0.0000 0.5000 0.0295 ( 1456 PWs) bands (ev): -5.9848 -5.9848 -5.8559 -5.8559 -4.6729 -4.6729 -4.3805 -4.3805 -4.2827 -4.2827 -3.7844 -3.7844 -3.4836 -3.4836 3.0069 3.0069 3.9448 3.9448 5.5114 5.5114 5.6916 5.6916 7.5595 7.5595 7.6821 7.6821 15.6672 15.6672 15.7950 15.7950 16.3402 16.3402 16.7714 16.7714 k = 0.0000 0.5000 0.0393 ( 1456 PWs) bands (ev): -5.9852 -5.9852 -5.8550 -5.8550 -4.6726 -4.6726 -4.3804 -4.3804 -4.2823 -4.2823 -3.7837 -3.7837 -3.4807 -3.4807 2.9770 2.9770 3.8987 3.8987 5.5616 5.5616 5.7292 5.7292 7.5598 7.5598 7.6835 7.6835 15.6337 15.6337 15.8042 15.8042 16.3517 16.3517 16.7472 16.7472 k = 0.0000 0.5000 0.0491 ( 1456 PWs) bands (ev): -5.9857 -5.9857 -5.8539 -5.8539 -4.6722 -4.6722 -4.3804 -4.3804 -4.2819 -4.2819 -3.7828 -3.7828 -3.4770 -3.4770 2.9401 2.9401 3.8437 3.8437 5.6219 5.6219 5.7760 5.7760 7.5602 7.5602 7.6854 7.6854 15.5917 15.5917 15.8156 15.8156 16.3664 16.3664 16.7177 16.7177 k = 0.0000 0.5000 0.0589 ( 1460 PWs) bands (ev): -5.9863 -5.9863 -5.8525 -5.8525 -4.6717 -4.6717 -4.3804 -4.3804 -4.2813 -4.2813 -3.7817 -3.7817 -3.4725 -3.4725 2.8970 2.8970 3.7817 3.7817 5.6903 5.6903 5.8311 5.8311 7.5606 7.5606 7.6876 7.6876 15.5422 15.5422 15.8288 15.8288 16.3842 16.3842 16.6839 16.6839 k = 0.0000 0.5000 0.0687 ( 1460 PWs) bands (ev): -5.9870 -5.9870 -5.8509 -5.8509 -4.6711 -4.6711 -4.3804 -4.3804 -4.2807 -4.2807 -3.7805 -3.7805 -3.4672 -3.4672 2.8486 2.8486 3.7146 3.7146 5.7649 5.7649 5.8937 5.8937 7.5612 7.5612 7.6902 7.6902 15.4860 15.4860 15.8431 15.8431 16.4049 16.4049 16.6472 16.6472 k = 0.0000 0.5000 0.0786 ( 1464 PWs) bands (ev): -5.9878 -5.9878 -5.8491 -5.8491 -4.6705 -4.6705 -4.3803 -4.3803 -4.2800 -4.2800 -3.7791 -3.7791 -3.4611 -3.4611 2.7959 2.7959 3.6438 3.6438 5.8443 5.8443 5.9626 5.9626 7.5617 7.5617 7.6931 7.6931 15.4239 15.4239 15.8577 15.8577 16.4286 16.4286 16.6093 16.6093 k = 0.0000 0.5000 0.0884 ( 1458 PWs) bands (ev): -5.9887 -5.9887 -5.8471 -5.8471 -4.6697 -4.6697 -4.3803 -4.3803 -4.2791 -4.2791 -3.7775 -3.7775 -3.4544 -3.4544 2.7397 2.7397 3.5705 3.5705 5.9272 5.9272 6.0370 6.0370 7.5624 7.5624 7.6964 7.6964 15.3568 15.3568 15.8711 15.8711 16.4553 16.4553 16.5723 16.5723 k = 0.0000 0.5000 0.0982 ( 1458 PWs) bands (ev): -5.9896 -5.9896 -5.8449 -5.8449 -4.6689 -4.6689 -4.3802 -4.3802 -4.2782 -4.2782 -3.7759 -3.7759 -3.4470 -3.4470 2.6807 2.6807 3.4956 3.4956 6.0126 6.0126 6.1159 6.1159 7.5631 7.5631 7.6999 7.6999 15.2854 15.2854 15.8818 15.8818 16.4845 16.4845 16.5385 16.5385 k = 0.0000 0.5000 0.1080 ( 1458 PWs) bands (ev): -5.9907 -5.9907 -5.8425 -5.8425 -4.6680 -4.6680 -4.3802 -4.3802 -4.2772 -4.2772 -3.7740 -3.7740 -3.4390 -3.4390 2.6198 2.6198 3.4200 3.4200 6.0996 6.0996 6.1985 6.1985 7.5639 7.5639 7.7038 7.7038 15.2106 15.2106 15.8874 15.8874 16.5081 16.5081 16.5192 16.5192 k = 0.0000 0.5000 0.1179 ( 1452 PWs) bands (ev): -5.9917 -5.9917 -5.8400 -5.8400 -4.6670 -4.6670 -4.3801 -4.3801 -4.2761 -4.2761 -3.7721 -3.7721 -3.4304 -3.4304 2.5577 2.5577 3.3443 3.3443 6.1876 6.1876 6.2842 6.2842 7.5647 7.5647 7.7079 7.7079 15.1330 15.1330 15.8855 15.8855 16.4911 16.4911 16.5523 16.5523 k = 0.0000 0.5000 0.1277 ( 1458 PWs) bands (ev): -5.9929 -5.9929 -5.8373 -5.8373 -4.6661 -4.6661 -4.3801 -4.3801 -4.2751 -4.2751 -3.7700 -3.7700 -3.4213 -3.4213 2.4948 2.4948 3.2690 3.2690 6.2759 6.2759 6.3720 6.3720 7.5655 7.5655 7.7122 7.7122 15.0533 15.0533 15.8742 15.8742 16.4840 16.4840 16.5896 16.5896 k = 0.0000 0.5000 0.1375 ( 1458 PWs) bands (ev): -5.9941 -5.9941 -5.8345 -5.8345 -4.6651 -4.6651 -4.3800 -4.3800 -4.2739 -4.2739 -3.7679 -3.7679 -3.4117 -3.4117 2.4318 2.4318 3.1945 3.1945 6.3640 6.3640 6.4615 6.4615 7.5664 7.5664 7.7167 7.7167 14.9720 14.9720 15.8525 15.8525 16.4897 16.4897 16.6294 16.6294 k = 0.0000 0.5000 0.1473 ( 1458 PWs) bands (ev): -5.9954 -5.9954 -5.8316 -5.8316 -4.6640 -4.6640 -4.3800 -4.3800 -4.2727 -4.2727 -3.7657 -3.7657 -3.4018 -3.4018 2.3691 2.3691 3.1213 3.1213 6.4515 6.4515 6.5520 6.5520 7.5674 7.5674 7.7213 7.7213 14.8898 14.8898 15.8209 15.8209 16.5084 16.5084 16.6715 16.6715 k = 0.0000 0.5000 0.1571 ( 1462 PWs) bands (ev): -5.9967 -5.9967 -5.8287 -5.8287 -4.6630 -4.6630 -4.3799 -4.3799 -4.2715 -4.2715 -3.7634 -3.7634 -3.3915 -3.3915 2.3071 2.3071 3.0497 3.0497 6.5378 6.5378 6.6429 6.6429 7.5683 7.5683 7.7261 7.7261 14.8071 14.8071 15.7810 15.7810 16.5388 16.5388 16.7159 16.7159 k = 0.0000 0.5000 0.1670 ( 1462 PWs) bands (ev): -5.9980 -5.9980 -5.8257 -5.8257 -4.6619 -4.6619 -4.3799 -4.3799 -4.2702 -4.2702 -3.7611 -3.7611 -3.3809 -3.3809 2.2462 2.2462 2.9799 2.9799 6.6228 6.6228 6.7337 6.7337 7.5693 7.5693 7.7310 7.7310 14.7246 14.7246 15.7350 15.7350 16.5791 16.5791 16.7622 16.7622 k = 0.0000 0.5000 0.1768 ( 1460 PWs) bands (ev): -5.9993 -5.9993 -5.8226 -5.8226 -4.6608 -4.6608 -4.3798 -4.3798 -4.2690 -4.2690 -3.7587 -3.7587 -3.3702 -3.3702 2.1868 2.1868 2.9123 2.9123 6.7059 6.7059 6.8239 6.8239 7.5703 7.5703 7.7360 7.7360 14.6426 14.6426 15.6847 15.6847 16.6277 16.6277 16.8103 16.8103 k = 0.0000 0.5000 0.1866 ( 1464 PWs) bands (ev): -6.0006 -6.0006 -5.8196 -5.8196 -4.6598 -4.6598 -4.3798 -4.3798 -4.2677 -4.2677 -3.7563 -3.7563 -3.3594 -3.3594 2.1290 2.1290 2.8471 2.8471 6.7867 6.7867 6.9130 6.9130 7.5712 7.5712 7.7409 7.7409 14.5616 14.5616 15.6318 15.6318 16.6832 16.6832 16.8600 16.8600 k = 0.0000 0.5000 0.1964 ( 1464 PWs) bands (ev): -6.0019 -6.0019 -5.8166 -5.8166 -4.6587 -4.6587 -4.3797 -4.3797 -4.2664 -4.2664 -3.7539 -3.7539 -3.3486 -3.3486 2.0733 2.0733 2.7844 2.7844 6.8651 6.8651 7.0005 7.0005 7.5722 7.5722 7.7458 7.7458 14.4820 14.4820 15.5776 15.5776 16.7445 16.7445 16.9110 16.9110 k = 0.0000 0.5000 0.2062 ( 1464 PWs) bands (ev): -6.0032 -6.0032 -5.8136 -5.8136 -4.6576 -4.6576 -4.3797 -4.3797 -4.2652 -4.2652 -3.7516 -3.7516 -3.3378 -3.3378 2.0199 2.0199 2.7245 2.7245 6.9406 6.9406 7.0858 7.0858 7.5732 7.5732 7.7507 7.7507 14.4043 14.4043 15.5233 15.5233 16.8106 16.8106 16.9629 16.9629 k = 0.0000 0.5000 0.2161 ( 1464 PWs) bands (ev): -6.0045 -6.0045 -5.8106 -5.8106 -4.6566 -4.6566 -4.3796 -4.3796 -4.2639 -4.2639 -3.7492 -3.7492 -3.3272 -3.3272 1.9689 1.9689 2.6676 2.6676 7.0129 7.0129 7.1687 7.1687 7.5742 7.5742 7.7554 7.7554 14.3290 14.3290 15.4696 15.4696 16.8808 16.8808 17.0156 17.0156 k = 0.0000 0.5000 0.2259 ( 1468 PWs) bands (ev): -6.0057 -6.0057 -5.8078 -5.8078 -4.6556 -4.6556 -4.3796 -4.3796 -4.2627 -4.2627 -3.7470 -3.7470 -3.3169 -3.3169 1.9206 1.9206 2.6138 2.6138 7.0818 7.0818 7.2485 7.2485 7.5750 7.5750 7.7600 7.7600 14.2563 14.2563 15.4171 15.4171 16.9543 16.9543 17.0685 17.0685 k = 0.0000 0.5000 0.2357 ( 1468 PWs) bands (ev): -6.0069 -6.0069 -5.8051 -5.8051 -4.6546 -4.6546 -4.3796 -4.3796 -4.2615 -4.2615 -3.7448 -3.7448 -3.3069 -3.3069 1.8752 1.8752 2.5634 2.5634 7.1470 7.1470 7.3249 7.3249 7.5759 7.5759 7.7645 7.7645 14.1868 14.1868 15.3667 15.3667 17.0307 17.0307 17.1214 17.1214 k = 0.0000 0.5000 0.2455 ( 1466 PWs) bands (ev): -6.0080 -6.0080 -5.8025 -5.8025 -4.6537 -4.6537 -4.3795 -4.3795 -4.2604 -4.2604 -3.7427 -3.7427 -3.2973 -3.2973 1.8328 1.8328 2.5164 2.5164 7.2081 7.2081 7.3974 7.3974 7.5768 7.5768 7.7688 7.7688 14.1209 14.1209 15.3186 15.3186 17.1091 17.1091 17.1737 17.1737 k = 0.0000 0.5000 0.2553 ( 1466 PWs) bands (ev): -6.0090 -6.0090 -5.8001 -5.8001 -4.6528 -4.6528 -4.3795 -4.3795 -4.2593 -4.2593 -3.7407 -3.7407 -3.2882 -3.2882 1.7936 1.7936 2.4730 2.4730 7.2649 7.2649 7.4654 7.4654 7.5776 7.5776 7.7728 7.7728 14.0590 14.0590 15.2734 15.2734 17.1887 17.1887 17.2252 17.2252 k = 0.0000 0.5000 0.2652 ( 1462 PWs) bands (ev): -6.0100 -6.0100 -5.7979 -5.7979 -4.6520 -4.6520 -4.3794 -4.3794 -4.2583 -4.2583 -3.7388 -3.7388 -3.2797 -3.2797 1.7578 1.7578 2.4333 2.4333 7.3173 7.3173 7.5286 7.5286 7.5783 7.5783 7.7766 7.7766 14.0014 14.0014 15.2314 15.2314 17.2653 17.2653 17.2789 17.2789 k = 0.0000 0.5000 0.2750 ( 1466 PWs) bands (ev): -6.0109 -6.0109 -5.7958 -5.7958 -4.6513 -4.6513 -4.3794 -4.3794 -4.2574 -4.2574 -3.7370 -3.7370 -3.2718 -3.2718 1.7253 1.7253 2.3975 2.3975 7.3647 7.3647 7.5787 7.5787 7.5867 7.5867 7.7802 7.7802 13.9486 13.9486 15.1929 15.1929 17.3186 17.3186 17.3532 17.3532 k = 0.0000 0.5000 0.2848 ( 1464 PWs) bands (ev): -6.0117 -6.0117 -5.7939 -5.7939 -4.6506 -4.6506 -4.3794 -4.3794 -4.2565 -4.2565 -3.7354 -3.7354 -3.2647 -3.2647 1.6965 1.6965 2.3656 2.3656 7.4071 7.4071 7.5796 7.5796 7.6386 7.6386 7.7836 7.7836 13.9010 13.9010 15.1583 15.1583 17.3630 17.3630 17.4323 17.4323 k = 0.0000 0.5000 0.2946 ( 1464 PWs) bands (ev): -6.0124 -6.0124 -5.7922 -5.7922 -4.6500 -4.6500 -4.3794 -4.3794 -4.2558 -4.2558 -3.7340 -3.7340 -3.2584 -3.2584 1.6712 1.6712 2.3377 2.3377 7.4444 7.4444 7.5802 7.5802 7.6845 7.6845 7.7867 7.7867 13.8589 13.8589 15.1278 15.1278 17.4031 17.4031 17.5093 17.5093 k = 0.0000 0.5000 0.3044 ( 1464 PWs) bands (ev): -6.0130 -6.0130 -5.7908 -5.7908 -4.6495 -4.6495 -4.3794 -4.3794 -4.2552 -4.2552 -3.7328 -3.7328 -3.2530 -3.2530 1.6498 1.6498 2.3140 2.3140 7.4762 7.4762 7.5807 7.5807 7.7236 7.7236 7.7897 7.7897 13.8227 13.8227 15.1015 15.1015 17.4386 17.4386 17.5821 17.5821 k = 0.0000 0.5000 0.3143 ( 1456 PWs) bands (ev): -6.0135 -6.0135 -5.7896 -5.7896 -4.6490 -4.6490 -4.3793 -4.3793 -4.2546 -4.2546 -3.7318 -3.7318 -3.2484 -3.2484 1.6321 1.6321 2.2945 2.2945 7.5024 7.5024 7.5813 7.5813 7.7551 7.7551 7.7933 7.7933 13.7926 13.7926 15.0798 15.0798 17.4689 17.4689 17.6486 17.6486 k = 0.0000 0.5000 0.3241 ( 1456 PWs) bands (ev): -6.0139 -6.0139 -5.7887 -5.7887 -4.6487 -4.6487 -4.3793 -4.3793 -4.2542 -4.2542 -3.7310 -3.7310 -3.2448 -3.2448 1.6183 1.6183 2.2793 2.2793 7.5230 7.5230 7.5816 7.5816 7.7766 7.7766 7.7995 7.7995 13.7689 13.7689 15.0628 15.0628 17.4931 17.4931 17.7059 17.7059 k = 0.0000 0.5000 0.3339 ( 1452 PWs) bands (ev): -6.0141 -6.0141 -5.7880 -5.7880 -4.6485 -4.6485 -4.3792 -4.3792 -4.2539 -4.2539 -3.7304 -3.7304 -3.2422 -3.2422 1.6084 1.6084 2.2684 2.2684 7.5377 7.5377 7.5820 7.5820 7.7858 7.7858 7.8102 7.8102 13.7518 13.7518 15.0505 15.0505 17.5109 17.5109 17.7505 17.7505 k = 0.0000 0.5000 0.3437 ( 1436 PWs) bands (ev): -6.0142 -6.0142 -5.7876 -5.7876 -4.6482 -4.6482 -4.3792 -4.3792 -4.2536 -4.2536 -3.7300 -3.7300 -3.2406 -3.2406 1.6025 1.6025 2.2619 2.2619 7.5466 7.5466 7.5823 7.5823 7.7888 7.7888 7.8196 7.8196 13.7415 13.7415 15.0431 15.0431 17.5219 17.5219 17.7793 17.7793 k = 0.0000 0.5000 0.3536 ( 1436 PWs) bands (ev): -6.0143 -6.0143 -5.7875 -5.7875 -4.6481 -4.6481 -4.3792 -4.3792 -4.2535 -4.2535 -3.7299 -3.7299 -3.2401 -3.2401 1.6005 1.6005 2.2597 2.2597 7.5496 7.5496 7.5824 7.5824 7.7895 7.7895 7.8229 7.8229 13.7380 13.7380 15.0406 15.0406 17.5255 17.5255 17.7892 17.7892 k = 0.5000 0.5000-0.0000 ( 1480 PWs) bands (ev): -5.7070 -5.7070 -5.6221 -5.6221 -4.6172 -4.6172 -4.3387 -4.3387 -4.2288 -4.2288 -3.0887 -3.0887 -3.0084 -3.0084 2.2614 2.2614 3.5705 3.5705 6.0539 6.0539 6.1163 6.1163 6.1304 6.1304 6.1964 6.1964 11.7485 11.7485 11.7624 11.7624 15.0819 15.0819 17.0769 17.0769 k = 0.5000 0.5000 0.0098 ( 1480 PWs) bands (ev): -5.7070 -5.7070 -5.6221 -5.6221 -4.6172 -4.6172 -4.3386 -4.3386 -4.2288 -4.2288 -3.0884 -3.0884 -3.0082 -3.0082 2.2624 2.2624 3.5713 3.5713 6.0514 6.0514 6.1140 6.1140 6.1283 6.1283 6.1948 6.1948 11.7531 11.7531 11.7670 11.7670 15.0860 15.0860 17.0798 17.0798 k = 0.5000 0.5000 0.0196 ( 1480 PWs) bands (ev): -5.7072 -5.7072 -5.6223 -5.6223 -4.6172 -4.6172 -4.3385 -4.3385 -4.2288 -4.2288 -3.0876 -3.0876 -3.0074 -3.0074 2.2652 2.2652 3.5736 3.5736 6.0437 6.0437 6.1072 6.1072 6.1218 6.1218 6.1900 6.1900 11.7667 11.7667 11.7807 11.7807 15.0984 15.0984 17.0887 17.0887 k = 0.5000 0.5000 0.0295 ( 1472 PWs) bands (ev): -5.7075 -5.7075 -5.6226 -5.6226 -4.6171 -4.6171 -4.3383 -4.3383 -4.2287 -4.2287 -3.0863 -3.0863 -3.0061 -3.0061 2.2700 2.2700 3.5775 3.5775 6.0311 6.0311 6.0959 6.0959 6.1113 6.1113 6.1820 6.1820 11.7893 11.7893 11.8034 11.8034 15.1189 15.1189 17.1033 17.1033 k = 0.5000 0.5000 0.0393 ( 1464 PWs) bands (ev): -5.7079 -5.7079 -5.6230 -5.6230 -4.6170 -4.6170 -4.3380 -4.3380 -4.2287 -4.2287 -3.0845 -3.0845 -3.0043 -3.0043 2.2766 2.2766 3.5830 3.5830 6.0135 6.0135 6.0804 6.0804 6.0966 6.0966 6.1709 6.1709 11.8206 11.8206 11.8350 11.8350 15.1474 15.1474 17.1238 17.1238 k = 0.5000 0.5000 0.0491 ( 1464 PWs) bands (ev): -5.7085 -5.7085 -5.6236 -5.6236 -4.6169 -4.6169 -4.3377 -4.3377 -4.2286 -4.2286 -3.0822 -3.0822 -3.0020 -3.0020 2.2851 2.2851 3.5899 3.5899 5.9910 5.9910 6.0607 6.0607 6.0781 6.0781 6.1566 6.1566 11.8605 11.8605 11.8752 11.8752 15.1837 15.1837 17.1499 17.1499 k = 0.5000 0.5000 0.0589 ( 1464 PWs) bands (ev): -5.7092 -5.7092 -5.6243 -5.6243 -4.6167 -4.6167 -4.3373 -4.3373 -4.2286 -4.2286 -3.0794 -3.0794 -2.9992 -2.9992 2.2954 2.2954 3.5984 3.5984 5.9639 5.9639 6.0373 6.0373 6.0559 6.0559 6.1393 6.1393 11.9087 11.9087 11.9237 11.9237 15.2277 15.2277 17.1816 17.1816 k = 0.5000 0.5000 0.0687 ( 1456 PWs) bands (ev): -5.7099 -5.7099 -5.6251 -5.6251 -4.6166 -4.6166 -4.3367 -4.3367 -4.2285 -4.2285 -3.0762 -3.0762 -2.9960 -2.9960 2.3076 2.3076 3.6084 3.6084 5.9322 5.9322 6.0106 6.0106 6.0305 6.0305 6.1191 6.1191 11.9649 11.9649 11.9802 11.9802 15.2790 15.2790 17.2188 17.2188 k = 0.5000 0.5000 0.0786 ( 1456 PWs) bands (ev): -5.7109 -5.7109 -5.6260 -5.6260 -4.6164 -4.6164 -4.3361 -4.3361 -4.2285 -4.2285 -3.0725 -3.0725 -2.9923 -2.9923 2.3216 2.3216 3.6199 3.6199 5.8963 5.8963 5.9807 5.9807 6.0020 6.0020 6.0962 6.0962 12.0287 12.0287 12.0443 12.0443 15.3374 15.3374 17.2612 17.2612 k = 0.5000 0.5000 0.0884 ( 1448 PWs) bands (ev): -5.7118 -5.7118 -5.6269 -5.6269 -4.6162 -4.6162 -4.3355 -4.3355 -4.2284 -4.2284 -3.0684 -3.0684 -2.9883 -2.9883 2.3374 2.3374 3.6329 3.6329 5.8563 5.8563 5.9482 5.9482 5.9709 5.9709 6.0705 6.0705 12.0997 12.0997 12.1155 12.1155 15.4025 15.4025 17.3088 17.3088 k = 0.5000 0.5000 0.0982 ( 1448 PWs) bands (ev): -5.7129 -5.7129 -5.6281 -5.6281 -4.6160 -4.6160 -4.3348 -4.3348 -4.2283 -4.2283 -3.0640 -3.0640 -2.9839 -2.9839 2.3549 2.3549 3.6473 3.6473 5.8125 5.8125 5.9133 5.9133 5.9374 5.9374 6.0423 6.0423 12.1774 12.1774 12.1934 12.1934 15.4740 15.4740 17.3613 17.3613 k = 0.5000 0.5000 0.1080 ( 1448 PWs) bands (ev): -5.7141 -5.7141 -5.6293 -5.6293 -4.6158 -4.6158 -4.3341 -4.3341 -4.2282 -4.2282 -3.0592 -3.0592 -2.9791 -2.9791 2.3742 2.3742 3.6632 3.6632 5.7652 5.7652 5.8765 5.8765 5.9019 5.9019 6.0117 6.0117 12.2614 12.2614 12.2776 12.2776 15.5514 15.5514 17.4185 17.4185 k = 0.5000 0.5000 0.1179 ( 1456 PWs) bands (ev): -5.7154 -5.7154 -5.6306 -5.6306 -4.6155 -4.6155 -4.3335 -4.3335 -4.2281 -4.2281 -3.0541 -3.0541 -2.9740 -2.9740 2.3951 2.3951 3.6805 3.6805 5.7147 5.7147 5.8380 5.8380 5.8647 5.8647 5.9789 5.9789 12.3512 12.3512 12.3675 12.3675 15.6344 15.6344 17.4802 17.4802 k = 0.5000 0.5000 0.1277 ( 1448 PWs) bands (ev): -5.7167 -5.7167 -5.6319 -5.6319 -4.6152 -4.6152 -4.3327 -4.3327 -4.2280 -4.2280 -3.0487 -3.0487 -2.9687 -2.9687 2.4177 2.4177 3.6991 3.6991 5.6614 5.6614 5.7985 5.7985 5.8264 5.8264 5.9440 5.9440 12.4464 12.4464 12.4628 12.4628 15.7226 15.7226 17.5463 17.5463 k = 0.5000 0.5000 0.1375 ( 1448 PWs) bands (ev): -5.7180 -5.7180 -5.6332 -5.6332 -4.6150 -4.6150 -4.3319 -4.3319 -4.2279 -4.2279 -3.0431 -3.0431 -2.9631 -2.9631 2.4419 2.4419 3.7190 3.7190 5.6055 5.6055 5.7582 5.7582 5.7871 5.7871 5.9072 5.9072 12.5464 12.5464 12.5628 12.5628 15.8155 15.8155 17.6162 17.6162 k = 0.5000 0.5000 0.1473 ( 1452 PWs) bands (ev): -5.7195 -5.7195 -5.6347 -5.6347 -4.6147 -4.6147 -4.3311 -4.3311 -4.2278 -4.2278 -3.0374 -3.0374 -2.9573 -2.9573 2.4676 2.4676 3.7403 3.7403 5.5474 5.5474 5.7173 5.7173 5.7472 5.7472 5.8687 5.8687 12.6507 12.6507 12.6670 12.6670 15.9126 15.9126 17.6899 17.6899 k = 0.5000 0.5000 0.1571 ( 1460 PWs) bands (ev): -5.7210 -5.7210 -5.6362 -5.6362 -4.6145 -4.6145 -4.3302 -4.3302 -4.2277 -4.2277 -3.0314 -3.0314 -2.9515 -2.9515 2.4947 2.4947 3.7627 3.7627 5.4875 5.4875 5.6763 5.6763 5.7072 5.7072 5.8287 5.8287 12.7588 12.7588 12.7749 12.7749 16.0134 16.0134 17.7671 17.7671 k = 0.5000 0.5000 0.1670 ( 1460 PWs) bands (ev): -5.7224 -5.7224 -5.6377 -5.6377 -4.6142 -4.6142 -4.3293 -4.3293 -4.2276 -4.2276 -3.0254 -3.0254 -2.9454 -2.9454 2.5232 2.5232 3.7863 3.7863 5.4261 5.4261 5.6355 5.6355 5.6672 5.6672 5.7873 5.7873 12.8701 12.8701 12.8860 12.8860 16.1176 16.1176 17.8475 17.8475 k = 0.5000 0.5000 0.1768 ( 1460 PWs) bands (ev): -5.7239 -5.7239 -5.6391 -5.6391 -4.6139 -4.6139 -4.3284 -4.3284 -4.2275 -4.2275 -3.0193 -3.0193 -2.9394 -2.9394 2.5529 2.5529 3.8110 3.8110 5.3636 5.3636 5.5951 5.5951 5.6276 5.6276 5.7449 5.7449 12.9841 12.9841 12.9997 12.9997 16.2245 16.2245 17.9307 17.9307 k = 0.5000 0.5000 0.1866 ( 1460 PWs) bands (ev): -5.7254 -5.7254 -5.6406 -5.6406 -4.6136 -4.6136 -4.3276 -4.3276 -4.2274 -4.2274 -3.0132 -3.0132 -2.9333 -2.9333 2.5837 2.5837 3.8367 3.8367 5.3004 5.3004 5.5555 5.5555 5.5886 5.5886 5.7016 5.7016 13.1002 13.1002 13.1153 13.1153 16.3336 16.3336 18.0165 18.0165 k = 0.5000 0.5000 0.1964 ( 1460 PWs) bands (ev): -5.7268 -5.7268 -5.6421 -5.6421 -4.6133 -4.6133 -4.3267 -4.3267 -4.2273 -4.2273 -3.0071 -3.0071 -2.9273 -2.9273 2.6156 2.6156 3.8634 3.8634 5.2367 5.2367 5.5168 5.5168 5.5506 5.5506 5.6576 5.6576 13.2177 13.2177 13.2324 13.2324 16.4445 16.4445 18.1047 18.1047 k = 0.5000 0.5000 0.2062 ( 1460 PWs) bands (ev): -5.7282 -5.7282 -5.6435 -5.6435 -4.6131 -4.6131 -4.3258 -4.3258 -4.2272 -4.2272 -3.0011 -3.0011 -2.9213 -2.9213 2.6483 2.6483 3.8908 3.8908 5.1731 5.1731 5.4793 5.4793 5.5136 5.5136 5.6132 5.6132 13.3359 13.3359 13.3500 13.3500 16.5565 16.5565 18.1947 18.1947 k = 0.5000 0.5000 0.2161 ( 1460 PWs) bands (ev): -5.7296 -5.7296 -5.6449 -5.6449 -4.6128 -4.6128 -4.3249 -4.3249 -4.2272 -4.2272 -2.9953 -2.9953 -2.9155 -2.9155 2.6817 2.6817 3.9189 3.9189 5.1099 5.1099 5.4433 5.4433 5.4781 5.4781 5.5686 5.5686 13.4542 13.4542 13.4677 13.4677 16.6691 16.6691 18.2864 18.2864 k = 0.5000 0.5000 0.2259 ( 1448 PWs) bands (ev): -5.7309 -5.7309 -5.6462 -5.6462 -4.6125 -4.6125 -4.3240 -4.3240 -4.2271 -4.2271 -2.9896 -2.9896 -2.9098 -2.9098 2.7155 2.7155 3.9475 3.9475 5.0474 5.0474 5.4089 5.4089 5.4442 5.4442 5.5242 5.5242 13.5719 13.5719 13.5846 13.5846 16.7817 16.7817 18.3796 18.3796 k = 0.5000 0.5000 0.2357 ( 1464 PWs) bands (ev): -5.7322 -5.7322 -5.6475 -5.6475 -4.6124 -4.6124 -4.3233 -4.3233 -4.2271 -4.2271 -2.9841 -2.9841 -2.9043 -2.9043 2.7495 2.7495 3.9764 3.9764 4.9861 4.9861 5.3763 5.3763 5.4120 5.4120 5.4799 5.4799 13.6878 13.6878 13.6997 13.6997 16.8933 16.8933 18.4735 18.4735 k = 0.5000 0.5000 0.2455 ( 1452 PWs) bands (ev): -5.7334 -5.7334 -5.6487 -5.6487 -4.6121 -4.6121 -4.3224 -4.3224 -4.2269 -4.2269 -2.9789 -2.9789 -2.8992 -2.8992 2.7834 2.7834 4.0055 4.0055 4.9266 4.9266 5.3457 5.3457 5.3818 5.3818 5.4366 5.4366 13.8013 13.8013 13.8123 13.8123 17.0038 17.0038 18.5683 18.5683 k = 0.5000 0.5000 0.2553 ( 1452 PWs) bands (ev): -5.7346 -5.7346 -5.6499 -5.6499 -4.6119 -4.6119 -4.3217 -4.3217 -4.2269 -4.2269 -2.9740 -2.9740 -2.8943 -2.8943 2.8169 2.8169 4.0345 4.0345 4.8692 4.8692 5.3172 5.3172 5.3537 5.3537 5.3943 5.3943 13.9112 13.9112 13.9213 13.9213 17.1118 17.1118 18.6632 18.6632 k = 0.5000 0.5000 0.2652 ( 1452 PWs) bands (ev): -5.7356 -5.7356 -5.6510 -5.6510 -4.6116 -4.6116 -4.3210 -4.3210 -4.2268 -4.2268 -2.9694 -2.9694 -2.8897 -2.8897 2.8496 2.8496 4.0630 4.0630 4.8145 4.8145 5.2911 5.2911 5.3278 5.3278 5.3534 5.3534 14.0166 14.0166 14.0256 14.0256 17.2166 17.2166 18.7580 18.7580 k = 0.5000 0.5000 0.2750 ( 1452 PWs) bands (ev): -5.7366 -5.7366 -5.6519 -5.6519 -4.6115 -4.6115 -4.3204 -4.3204 -4.2267 -4.2267 -2.9653 -2.9653 -2.8855 -2.8855 2.8811 2.8811 4.0907 4.0907 4.7629 4.7629 5.2673 5.2673 5.3042 5.3042 5.3145 5.3145 14.1161 14.1161 14.1240 14.1240 17.3172 17.3172 18.8523 18.8523 k = 0.5000 0.5000 0.2848 ( 1452 PWs) bands (ev): -5.7375 -5.7375 -5.6528 -5.6528 -4.6113 -4.6113 -4.3199 -4.3199 -4.2267 -4.2267 -2.9615 -2.9615 -2.8818 -2.8818 2.9109 2.9109 4.1171 4.1171 4.7152 4.7152 5.2460 5.2460 5.2774 5.2774 5.2837 5.2837 14.2085 14.2085 14.2154 14.2154 17.4123 17.4123 18.9455 18.9455 k = 0.5000 0.5000 0.2946 ( 1452 PWs) bands (ev): -5.7382 -5.7382 -5.6536 -5.6536 -4.6111 -4.6111 -4.3194 -4.3194 -4.2266 -4.2266 -2.9581 -2.9581 -2.8785 -2.8785 2.9385 2.9385 4.1419 4.1419 4.6719 4.6719 5.2274 5.2274 5.2440 5.2440 5.2651 5.2651 14.2925 14.2925 14.2983 14.2983 17.5006 17.5006 19.0370 19.0370 k = 0.5000 0.5000 0.3044 ( 1456 PWs) bands (ev): -5.7389 -5.7389 -5.6542 -5.6542 -4.6110 -4.6110 -4.3191 -4.3191 -4.2266 -4.2266 -2.9553 -2.9553 -2.8756 -2.8756 2.9632 2.9632 4.1644 4.1644 4.6338 4.6338 5.2109 5.2109 5.2144 5.2144 5.2492 5.2492 14.3667 14.3667 14.3714 14.3714 17.5804 17.5804 19.1260 19.1260 k = 0.5000 0.5000 0.3143 ( 1448 PWs) bands (ev): -5.7393 -5.7393 -5.6547 -5.6547 -4.6109 -4.6109 -4.3188 -4.3188 -4.2265 -4.2265 -2.9529 -2.9529 -2.8732 -2.8732 2.9845 2.9845 4.1841 4.1841 4.6014 4.6014 5.1877 5.1877 5.1987 5.1987 5.2363 5.2363 14.4299 14.4299 14.4336 14.4336 17.6500 17.6500 19.2109 19.2109 k = 0.5000 0.5000 0.3241 ( 1448 PWs) bands (ev): -5.7398 -5.7398 -5.6551 -5.6551 -4.6108 -4.6108 -4.3185 -4.3185 -4.2265 -4.2265 -2.9510 -2.9510 -2.8713 -2.8713 3.0018 3.0018 4.2003 4.2003 4.5754 4.5754 5.1666 5.1666 5.1884 5.1884 5.2262 5.2262 14.4806 14.4806 14.4833 14.4833 17.7072 17.7072 19.2892 19.2892 k = 0.5000 0.5000 0.3339 ( 1448 PWs) bands (ev): -5.7401 -5.7401 -5.6554 -5.6554 -4.6107 -4.6107 -4.3183 -4.3183 -4.2265 -4.2265 -2.9496 -2.9496 -2.8700 -2.8700 3.0146 3.0146 4.2123 4.2123 4.5564 4.5564 5.1510 5.1510 5.1810 5.1810 5.2189 5.2189 14.5178 14.5178 14.5196 14.5196 17.7499 17.7499 19.3568 19.3568 k = 0.5000 0.5000 0.3437 ( 1448 PWs) bands (ev): -5.7403 -5.7403 -5.6556 -5.6556 -4.6107 -4.6107 -4.3182 -4.3182 -4.2265 -4.2265 -2.9488 -2.9488 -2.8692 -2.8692 3.0225 3.0225 4.2198 4.2198 4.5447 4.5447 5.1414 5.1414 5.1766 5.1766 5.2145 5.2145 14.5405 14.5405 14.5416 14.5416 17.7764 17.7764 19.4053 19.4053 k = 0.5000 0.5000 0.3536 ( 1448 PWs) bands (ev): -5.7403 -5.7403 -5.6557 -5.6557 -4.6107 -4.6107 -4.3181 -4.3181 -4.2265 -4.2265 -2.9486 -2.9486 -2.8689 -2.8689 3.0252 3.0252 4.2223 4.2223 4.5408 4.5408 5.1382 5.1382 5.1751 5.1751 5.2130 5.2130 14.5483 14.5483 14.5489 14.5489 17.7854 17.7854 19.4099 19.4099 Writing output data file AlGaN2.save init_run : 2.92s CPU 19.60s WALL ( 1 calls) electrons : 257.39s CPU 262.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.55s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 257.38s CPU 262.12s WALL ( 1 calls) v_of_rho : 0.27s CPU 0.82s WALL ( 1 calls) v_h : 0.13s CPU 0.13s WALL ( 1 calls) v_xc : 0.13s CPU 0.58s WALL ( 1 calls) newd : 0.20s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.09s WALL ( 463 calls) cegterg : 231.20s CPU 232.94s WALL ( 749 calls) Called by sum_band: Called by *egterg: h_psi : 92.79s CPU 98.64s WALL ( 12190 calls) s_psi : 10.30s CPU 10.99s WALL ( 12190 calls) g_psi : 0.08s CPU 0.27s WALL ( 10978 calls) cdiaghg : 92.84s CPU 90.56s WALL ( 11441 calls) cegterg:over : 20.88s CPU 18.44s WALL ( 10978 calls) cegterg:upda : 0.71s CPU 2.10s WALL ( 10978 calls) cegterg:last : 1.12s CPU 1.74s WALL ( 2049 calls) Called by h_psi: h_psi:vloc : 72.01s CPU 77.32s WALL ( 12190 calls) h_psi:vnl : 20.74s CPU 21.11s WALL ( 12190 calls) add_vuspsi : 4.33s CPU 7.47s WALL ( 12190 calls) General routines calbec : 16.38s CPU 13.55s WALL ( 12190 calls) fft : 0.25s CPU 1.59s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 69.57s CPU 74.60s WALL ( 835664 calls) interpolate : 0.09s CPU 0.14s WALL ( 4 calls) davcio : 0.04s CPU 1.04s WALL ( 926 calls) Parallel routines fft_scatter : 51.66s CPU 56.60s WALL ( 835687 calls) PWSCF : 4m58.36s CPU 6m 7.42s WALL This run was terminated on: 17:15:34 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=