Program PWSCF v.5.1.1 starts on 28Aug2015 at 7:18:40 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: ./FeGe.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 24 7 894 604 97 Max 31 25 8 901 616 101 Sum 1481 1153 341 43147 29279 4729 bravais-lattice index = 14 lattice parameter (alat) = 8.8609 a.u. unit-cell volume = 695.7244 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.860925 celldm(2)= 1.000000 celldm(3)= 1.000000 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 1.000000 ) 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 1.000000 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Ge 4.00 72.64000 Ge( 1.00) Fe 8.00 55.84500 Fe( 1.00) 3 Sym. Ops. (no inversion) found (note: 9 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 2) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 2) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 3 120 deg rotation - cart. axis [1,1,1] cryst. s( 3) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group C_3 (3) there are 6 classes and 3 irreducible representations the character table: E -E C3 -C3 C3^2 -C3^2 G_4 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_5 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_6 1.00 -1.00 -1.00 1.00 -1.00 1.00 imaginary part E -E C3 -C3 C3^2 -C3^2 G_4 0.00 0.00 0.87 -0.87 -0.87 0.87 G_5 0.00 0.00 -0.87 0.87 0.87 -0.87 G_6 0.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C3^2 2 C3 3 -E -1 -C3^2 -2 -C3 -3 Cartesian axes number of k points= 263 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0038023 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0038023 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0038023 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0038023 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0038023 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0038023 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0038023 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0038023 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0038023 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0038023 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0038023 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0038023 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0038023 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0038023 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0038023 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0038023 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0038023 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0038023 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0038023 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0038023 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0038023 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0038023 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0038023 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0038023 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0038023 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0038023 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0038023 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0038023 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0038023 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0038023 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0038023 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0038023 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0038023 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038023 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038023 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0038023 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0038023 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0038023 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0038023 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0038023 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0038023 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0038023 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0038023 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0038023 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0038023 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0038023 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0038023 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0038023 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0038023 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0038023 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0038023 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0038023 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0038023 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0038023 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0038023 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0038023 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0038023 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0038023 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0038023 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0038023 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0038023 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0038023 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0038023 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0038023 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0038023 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0038023 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0038023 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0038023 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0038023 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0038023 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0038023 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0038023 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0038023 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0038023 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0038023 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0038023 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0038023 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0038023 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0038023 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0038023 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0038023 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0038023 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0038023 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038023 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0038023 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0038023 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0038023 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0038023 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0038023 k( 93) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0038023 k( 94) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0038023 k( 95) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0038023 k( 96) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0038023 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0038023 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0038023 k( 99) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0038023 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0038023 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0038023 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0038023 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038023 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0038023 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0038023 k( 106) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0038023 k( 107) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0038023 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0038023 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0038023 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0038023 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0038023 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0038023 k( 113) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0038023 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0038023 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0038023 k( 116) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0038023 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0038023 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0038023 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 121) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0038023 k( 122) = ( 0.0169491 0.0169491 0.0169491), wk = 0.0038023 k( 123) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0038023 k( 124) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0038023 k( 125) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0038023 k( 126) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0038023 k( 127) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0038023 k( 128) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0038023 k( 129) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0038023 k( 130) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0038023 k( 131) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0038023 k( 132) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0038023 k( 133) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0038023 k( 134) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0038023 k( 135) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0038023 k( 136) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0038023 k( 137) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0038023 k( 138) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0038023 k( 139) = ( 0.1610169 0.1610169 0.1610169), wk = 0.0038023 k( 140) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0038023 k( 141) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0038023 k( 142) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0038023 k( 143) = ( 0.1949153 0.1949152 0.1949152), wk = 0.0038023 k( 144) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0038023 k( 145) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0038023 k( 146) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0038023 k( 147) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0038023 k( 148) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0038023 k( 149) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0038023 k( 150) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0038023 k( 151) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0038023 k( 152) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0038023 k( 153) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0038023 k( 154) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0038023 k( 155) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0038023 k( 156) = ( 0.3050848 0.3050847 0.3050847), wk = 0.0038023 k( 157) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0038023 k( 158) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0038023 k( 159) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0038023 k( 160) = ( 0.3389831 0.3389830 0.3389830), wk = 0.0038023 k( 161) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0038023 k( 162) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0038023 k( 163) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0038023 k( 164) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0038023 k( 165) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0038023 k( 166) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0038023 k( 167) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0038023 k( 168) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0038023 k( 169) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0038023 k( 170) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0038023 k( 171) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0038023 k( 172) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0038023 k( 173) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0038023 k( 174) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0038023 k( 175) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0038023 k( 176) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0038023 k( 177) = ( 0.4830508 0.4830508 0.4830508), wk = 0.0038023 k( 178) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0038023 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 181) = ( 0.4895833 0.5000000 0.4895833), wk = 0.0038023 k( 182) = ( 0.4791667 0.5000000 0.4791667), wk = 0.0038023 k( 183) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0038023 k( 184) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0038023 k( 185) = ( 0.4479167 0.5000000 0.4479167), wk = 0.0038023 k( 186) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0038023 k( 187) = ( 0.4270833 0.5000000 0.4270833), wk = 0.0038023 k( 188) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0038023 k( 189) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0038023 k( 190) = ( 0.3958333 0.5000000 0.3958333), wk = 0.0038023 k( 191) = ( 0.3854167 0.5000000 0.3854167), wk = 0.0038023 k( 192) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0038023 k( 193) = ( 0.3645833 0.5000000 0.3645833), wk = 0.0038023 k( 194) = ( 0.3541667 0.5000000 0.3541667), wk = 0.0038023 k( 195) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0038023 k( 196) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0038023 k( 197) = ( 0.3229167 0.5000000 0.3229167), wk = 0.0038023 k( 198) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0038023 k( 199) = ( 0.3020833 0.5000000 0.3020833), wk = 0.0038023 k( 200) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0038023 k( 201) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0038023 k( 202) = ( 0.2708333 0.5000000 0.2708333), wk = 0.0038023 k( 203) = ( 0.2604167 0.5000000 0.2604167), wk = 0.0038023 k( 204) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0038023 k( 205) = ( 0.2395833 0.5000000 0.2395833), wk = 0.0038023 k( 206) = ( 0.2291667 0.5000000 0.2291667), wk = 0.0038023 k( 207) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0038023 k( 208) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0038023 k( 209) = ( 0.1979167 0.5000000 0.1979167), wk = 0.0038023 k( 210) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0038023 k( 211) = ( 0.1770833 0.5000000 0.1770833), wk = 0.0038023 k( 212) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0038023 k( 213) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0038023 k( 214) = ( 0.1458333 0.5000000 0.1458333), wk = 0.0038023 k( 215) = ( 0.1354167 0.5000000 0.1354167), wk = 0.0038023 k( 216) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0038023 k( 217) = ( 0.1145833 0.5000000 0.1145833), wk = 0.0038023 k( 218) = ( 0.1041667 0.5000000 0.1041667), wk = 0.0038023 k( 219) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0038023 k( 220) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0038023 k( 221) = ( 0.0729167 0.5000000 0.0729167), wk = 0.0038023 k( 222) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0038023 k( 223) = ( 0.0520833 0.5000000 0.0520833), wk = 0.0038023 k( 224) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0038023 k( 225) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0038023 k( 226) = ( 0.0208333 0.5000000 0.0208333), wk = 0.0038023 k( 227) = ( 0.0104167 0.5000000 0.0104167), wk = 0.0038023 k( 228) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038023 k( 229) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 230) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0038023 k( 231) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0038023 k( 232) = ( 0.5000000 0.5000000 0.0441176), wk = 0.0038023 k( 233) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0038023 k( 234) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0038023 k( 235) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0038023 k( 236) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0038023 k( 237) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0038023 k( 238) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0038023 k( 239) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0038023 k( 240) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0038023 k( 241) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0038023 k( 242) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0038023 k( 243) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0038023 k( 244) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0038023 k( 245) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0038023 k( 246) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038023 k( 247) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0038023 k( 248) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0038023 k( 249) = ( 0.5000000 0.5000000 0.2941176), wk = 0.0038023 k( 250) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0038023 k( 251) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0038023 k( 252) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0038023 k( 253) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0038023 k( 254) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0038023 k( 255) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0038023 k( 256) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0038023 k( 257) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0038023 k( 258) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0038023 k( 259) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0038023 k( 260) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0038023 k( 261) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0038023 k( 262) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0038023 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0038023 k( 3) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0038023 k( 4) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0038023 k( 5) = ( 0.0000000 0.0588235 0.0000000), wk = 0.0038023 k( 6) = ( 0.0000000 0.0735294 0.0000000), wk = 0.0038023 k( 7) = ( 0.0000000 0.0882353 0.0000000), wk = 0.0038023 k( 8) = ( 0.0000000 0.1029412 0.0000000), wk = 0.0038023 k( 9) = ( 0.0000000 0.1176471 0.0000000), wk = 0.0038023 k( 10) = ( 0.0000000 0.1323529 0.0000000), wk = 0.0038023 k( 11) = ( 0.0000000 0.1470588 0.0000000), wk = 0.0038023 k( 12) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0038023 k( 13) = ( 0.0000000 0.1764706 0.0000000), wk = 0.0038023 k( 14) = ( 0.0000000 0.1911765 0.0000000), wk = 0.0038023 k( 15) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0038023 k( 16) = ( 0.0000000 0.2205882 0.0000000), wk = 0.0038023 k( 17) = ( 0.0000000 0.2352941 0.0000000), wk = 0.0038023 k( 18) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0038023 k( 19) = ( 0.0000000 0.2647059 0.0000000), wk = 0.0038023 k( 20) = ( 0.0000000 0.2794118 0.0000000), wk = 0.0038023 k( 21) = ( 0.0000000 0.2941177 0.0000000), wk = 0.0038023 k( 22) = ( 0.0000000 0.3088235 0.0000000), wk = 0.0038023 k( 23) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0038023 k( 24) = ( 0.0000000 0.3382353 0.0000000), wk = 0.0038023 k( 25) = ( 0.0000000 0.3529412 0.0000000), wk = 0.0038023 k( 26) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0038023 k( 27) = ( 0.0000000 0.3823529 0.0000000), wk = 0.0038023 k( 28) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0038023 k( 29) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0038023 k( 30) = ( 0.0000000 0.4264706 0.0000000), wk = 0.0038023 k( 31) = ( 0.0000000 0.4411765 0.0000000), wk = 0.0038023 k( 32) = ( 0.0000000 0.4558823 0.0000000), wk = 0.0038023 k( 33) = ( 0.0000000 0.4705882 0.0000000), wk = 0.0038023 k( 34) = ( 0.0000000 0.4852941 0.0000000), wk = 0.0038023 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 37) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0038023 k( 38) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0038023 k( 39) = ( 0.0441177 0.5000000 0.0000000), wk = 0.0038023 k( 40) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0038023 k( 41) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0038023 k( 42) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0038023 k( 43) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0038023 k( 44) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0038023 k( 45) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0038023 k( 46) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0038023 k( 47) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0038023 k( 48) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0038023 k( 49) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0038023 k( 50) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0038023 k( 51) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0038023 k( 52) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0038023 k( 53) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0038023 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0038023 k( 55) = ( 0.2794118 0.5000000 0.0000000), wk = 0.0038023 k( 56) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0038023 k( 57) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0038023 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0038023 k( 59) = ( 0.3382353 0.5000000 0.0000000), wk = 0.0038023 k( 60) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0038023 k( 61) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0038023 k( 62) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0038023 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0038023 k( 64) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0038023 k( 65) = ( 0.4264706 0.5000000 0.0000000), wk = 0.0038023 k( 66) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0038023 k( 67) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0038023 k( 68) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0038023 k( 69) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0038023 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038023 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038023 k( 72) = ( 0.4895833 0.4895833 0.0000000), wk = 0.0038023 k( 73) = ( 0.4791667 0.4791667 0.0000000), wk = 0.0038023 k( 74) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0038023 k( 75) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0038023 k( 76) = ( 0.4479167 0.4479167 0.0000000), wk = 0.0038023 k( 77) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0038023 k( 78) = ( 0.4270833 0.4270833 0.0000000), wk = 0.0038023 k( 79) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0038023 k( 80) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0038023 k( 81) = ( 0.3958333 0.3958333 0.0000000), wk = 0.0038023 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0038023 k( 83) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0038023 k( 84) = ( 0.3645833 0.3645833 0.0000000), wk = 0.0038023 k( 85) = ( 0.3541667 0.3541667 0.0000000), wk = 0.0038023 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0038023 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038023 k( 88) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0038023 k( 89) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0038023 k( 90) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0038023 k( 91) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0038023 k( 92) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0038023 k( 93) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0038023 k( 94) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0038023 k( 95) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0038023 k( 96) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0038023 k( 97) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0038023 k( 98) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0038023 k( 99) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0038023 k( 100) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0038023 k( 101) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0038023 k( 102) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0038023 k( 103) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0038023 k( 104) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0038023 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0038023 k( 106) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0038023 k( 107) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0038023 k( 108) = ( 0.1145833 0.1145833 0.0000000), wk = 0.0038023 k( 109) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0038023 k( 110) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0038023 k( 111) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0038023 k( 112) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0038023 k( 113) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0038023 k( 114) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0038023 k( 115) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0038023 k( 116) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0038023 k( 117) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0038023 k( 118) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0038023 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 121) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0038023 k( 122) = ( 0.0169491 0.0169491 0.0169491), wk = 0.0038023 k( 123) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0038023 k( 124) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0038023 k( 125) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0038023 k( 126) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0038023 k( 127) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0038023 k( 128) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0038023 k( 129) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0038023 k( 130) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0038023 k( 131) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0038023 k( 132) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0038023 k( 133) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0038023 k( 134) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0038023 k( 135) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0038023 k( 136) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0038023 k( 137) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0038023 k( 138) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0038023 k( 139) = ( 0.1610169 0.1610169 0.1610169), wk = 0.0038023 k( 140) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0038023 k( 141) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0038023 k( 142) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0038023 k( 143) = ( 0.1949153 0.1949153 0.1949153), wk = 0.0038023 k( 144) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0038023 k( 145) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0038023 k( 146) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0038023 k( 147) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0038023 k( 148) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0038023 k( 149) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0038023 k( 150) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0038023 k( 151) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0038023 k( 152) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0038023 k( 153) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0038023 k( 154) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0038023 k( 155) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0038023 k( 156) = ( 0.3050848 0.3050848 0.3050848), wk = 0.0038023 k( 157) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0038023 k( 158) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0038023 k( 159) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0038023 k( 160) = ( 0.3389831 0.3389831 0.3389831), wk = 0.0038023 k( 161) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0038023 k( 162) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0038023 k( 163) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0038023 k( 164) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0038023 k( 165) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0038023 k( 166) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0038023 k( 167) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0038023 k( 168) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0038023 k( 169) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0038023 k( 170) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0038023 k( 171) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0038023 k( 172) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0038023 k( 173) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0038023 k( 174) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0038023 k( 175) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0038023 k( 176) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0038023 k( 177) = ( 0.4830508 0.4830508 0.4830508), wk = 0.0038023 k( 178) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0038023 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 181) = ( 0.4895833 0.5000000 0.4895833), wk = 0.0038023 k( 182) = ( 0.4791667 0.5000000 0.4791667), wk = 0.0038023 k( 183) = ( 0.4687500 0.5000000 0.4687500), wk = 0.0038023 k( 184) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0038023 k( 185) = ( 0.4479167 0.5000000 0.4479167), wk = 0.0038023 k( 186) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0038023 k( 187) = ( 0.4270833 0.5000000 0.4270833), wk = 0.0038023 k( 188) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0038023 k( 189) = ( 0.4062500 0.5000000 0.4062500), wk = 0.0038023 k( 190) = ( 0.3958333 0.5000000 0.3958333), wk = 0.0038023 k( 191) = ( 0.3854167 0.5000000 0.3854167), wk = 0.0038023 k( 192) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0038023 k( 193) = ( 0.3645833 0.5000000 0.3645833), wk = 0.0038023 k( 194) = ( 0.3541667 0.5000000 0.3541667), wk = 0.0038023 k( 195) = ( 0.3437500 0.5000000 0.3437500), wk = 0.0038023 k( 196) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0038023 k( 197) = ( 0.3229167 0.5000000 0.3229167), wk = 0.0038023 k( 198) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0038023 k( 199) = ( 0.3020833 0.5000000 0.3020833), wk = 0.0038023 k( 200) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0038023 k( 201) = ( 0.2812500 0.5000000 0.2812500), wk = 0.0038023 k( 202) = ( 0.2708333 0.5000000 0.2708333), wk = 0.0038023 k( 203) = ( 0.2604167 0.5000000 0.2604167), wk = 0.0038023 k( 204) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0038023 k( 205) = ( 0.2395833 0.5000000 0.2395833), wk = 0.0038023 k( 206) = ( 0.2291667 0.5000000 0.2291667), wk = 0.0038023 k( 207) = ( 0.2187500 0.5000000 0.2187500), wk = 0.0038023 k( 208) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0038023 k( 209) = ( 0.1979167 0.5000000 0.1979167), wk = 0.0038023 k( 210) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0038023 k( 211) = ( 0.1770833 0.5000000 0.1770833), wk = 0.0038023 k( 212) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0038023 k( 213) = ( 0.1562500 0.5000000 0.1562500), wk = 0.0038023 k( 214) = ( 0.1458333 0.5000000 0.1458333), wk = 0.0038023 k( 215) = ( 0.1354167 0.5000000 0.1354167), wk = 0.0038023 k( 216) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0038023 k( 217) = ( 0.1145833 0.5000000 0.1145833), wk = 0.0038023 k( 218) = ( 0.1041667 0.5000000 0.1041667), wk = 0.0038023 k( 219) = ( 0.0937500 0.5000000 0.0937500), wk = 0.0038023 k( 220) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0038023 k( 221) = ( 0.0729167 0.5000000 0.0729167), wk = 0.0038023 k( 222) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0038023 k( 223) = ( 0.0520833 0.5000000 0.0520833), wk = 0.0038023 k( 224) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0038023 k( 225) = ( 0.0312500 0.5000000 0.0312500), wk = 0.0038023 k( 226) = ( 0.0208333 0.5000000 0.0208333), wk = 0.0038023 k( 227) = ( 0.0104167 0.5000000 0.0104167), wk = 0.0038023 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038023 k( 230) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0038023 k( 231) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0038023 k( 232) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0038023 k( 233) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0038023 k( 234) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0038023 k( 235) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0038023 k( 236) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0038023 k( 237) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0038023 k( 238) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0038023 k( 239) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0038023 k( 240) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0038023 k( 241) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0038023 k( 242) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0038023 k( 243) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0038023 k( 244) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0038023 k( 245) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0038023 k( 246) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038023 k( 247) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0038023 k( 248) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0038023 k( 249) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0038023 k( 250) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0038023 k( 251) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0038023 k( 252) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0038023 k( 253) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0038023 k( 254) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0038023 k( 255) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0038023 k( 256) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0038023 k( 257) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0038023 k( 258) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0038023 k( 259) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0038023 k( 260) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0038023 k( 261) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0038023 k( 262) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0038023 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 Dense grid: 43147 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 29279 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 164, 58) NL pseudopotentials 0.24 Mb ( 82, 192) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 901) G-vector shells 0.00 Mb ( 263) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 164, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.34 Mb ( 192, 2, 58) The potential is recalculated from file : ./FeGe.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.1 secs Computing kpt #: 2 total cpu time spent up to now is 46.1 secs Computing kpt #: 3 total cpu time spent up to now is 49.1 secs Computing kpt #: 4 total cpu time spent up to now is 52.0 secs Computing kpt #: 5 total cpu time spent up to now is 54.7 secs Computing kpt #: 6 total cpu time spent up to now is 57.3 secs Computing kpt #: 7 total cpu time spent up to now is 60.0 secs Computing kpt #: 8 total cpu time spent up to now is 62.5 secs Computing kpt #: 9 total cpu time spent up to now is 65.1 secs Computing kpt #: 10 total cpu time spent up to now is 67.5 secs Computing kpt #: 11 total cpu time spent up to now is 70.0 secs Computing kpt #: 12 total cpu time spent up to now is 72.4 secs Computing kpt #: 13 total cpu time spent up to now is 74.9 secs Computing kpt #: 14 total cpu time spent up to now is 77.3 secs Computing kpt #: 15 total cpu time spent up to now is 79.8 secs Computing kpt #: 16 total cpu time spent up to now is 82.1 secs Computing kpt #: 17 total cpu time spent up to now is 84.5 secs Computing kpt #: 18 total cpu time spent up to now is 86.8 secs Computing kpt #: 19 total cpu time spent up to now is 89.1 secs Computing kpt #: 20 total cpu time spent up to now is 91.6 secs Computing kpt #: 21 total cpu time spent up to now is 94.1 secs Computing kpt #: 22 total cpu time spent up to now is 96.7 secs Computing kpt #: 23 total cpu time spent up to now is 99.1 secs Computing kpt #: 24 total cpu time spent up to now is 101.6 secs Computing kpt #: 25 total cpu time spent up to now is 104.2 secs Computing kpt #: 26 total cpu time spent up to now is 106.8 secs Computing kpt #: 27 total cpu time spent up to now is 109.1 secs Computing kpt #: 28 total cpu time spent up to now is 111.5 secs Computing kpt #: 29 total cpu time spent up to now is 114.3 secs Computing kpt #: 30 total cpu time spent up to now is 116.9 secs Computing kpt #: 31 total cpu time spent up to now is 119.8 secs Computing kpt #: 32 total cpu time spent up to now is 122.6 secs Computing kpt #: 33 total cpu time spent up to now is 125.3 secs Computing kpt #: 34 total cpu time spent up to now is 128.5 secs Computing kpt #: 35 total cpu time spent up to now is 131.7 secs Computing kpt #: 36 total cpu time spent up to now is 134.7 secs Computing kpt #: 37 total cpu time spent up to now is 137.5 secs Computing kpt #: 38 total cpu time spent up to now is 140.8 secs Computing kpt #: 39 total cpu time spent up to now is 143.6 secs Computing kpt #: 40 total cpu time spent up to now is 146.3 secs Computing kpt #: 41 total cpu time spent up to now is 149.0 secs Computing kpt #: 42 total cpu time spent up to now is 151.9 secs Computing kpt #: 43 total cpu time spent up to now is 154.8 secs Computing kpt #: 44 total cpu time spent up to now is 157.6 secs Computing kpt #: 45 total cpu time spent up to now is 160.4 secs Computing kpt #: 46 total cpu time spent up to now is 163.2 secs Computing kpt #: 47 total cpu time spent up to now is 166.2 secs Computing kpt #: 48 total cpu time spent up to now is 169.2 secs Computing kpt #: 49 total cpu time spent up to now is 172.1 secs Computing kpt #: 50 total cpu time spent up to now is 175.3 secs Computing kpt #: 51 total cpu time spent up to now is 178.5 secs Computing kpt #: 52 total cpu time spent up to now is 181.3 secs Computing kpt #: 53 total cpu time spent up to now is 184.5 secs Computing kpt #: 54 total cpu time spent up to now is 188.7 secs Computing kpt #: 55 total cpu time spent up to now is 191.8 secs Computing kpt #: 56 total cpu time spent up to now is 195.9 secs Computing kpt #: 57 total cpu time spent up to now is 200.1 secs Computing kpt #: 58 total cpu time spent up to now is 203.5 secs Computing kpt #: 59 total cpu time spent up to now is 206.4 secs Computing kpt #: 60 total cpu time spent up to now is 209.8 secs Computing kpt #: 61 total cpu time spent up to now is 212.8 secs Computing kpt #: 62 total cpu time spent up to now is 215.9 secs Computing kpt #: 63 total cpu time spent up to now is 219.0 secs Computing kpt #: 64 total cpu time spent up to now is 222.1 secs Computing kpt #: 65 total cpu time spent up to now is 225.1 secs Computing kpt #: 66 total cpu time spent up to now is 228.3 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.1 secs Computing kpt #: 68 total cpu time spent up to now is 236.4 secs Computing kpt #: 69 total cpu time spent up to now is 240.9 secs Computing kpt #: 70 total cpu time spent up to now is 243.1 secs Computing kpt #: 71 total cpu time spent up to now is 246.0 secs Computing kpt #: 72 total cpu time spent up to now is 249.3 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.4 secs Computing kpt #: 74 total cpu time spent up to now is 257.4 secs Computing kpt #: 75 total cpu time spent up to now is 260.2 secs Computing kpt #: 76 total cpu time spent up to now is 263.0 secs Computing kpt #: 77 total cpu time spent up to now is 265.8 secs Computing kpt #: 78 total cpu time spent up to now is 268.5 secs Computing kpt #: 79 total cpu time spent up to now is 271.0 secs Computing kpt #: 80 total cpu time spent up to now is 273.7 secs Computing kpt #: 81 total cpu time spent up to now is 276.0 secs Computing kpt #: 82 total cpu time spent up to now is 279.4 secs Computing kpt #: 83 total cpu time spent up to now is 282.7 secs Computing kpt #: 84 total cpu time spent up to now is 285.0 secs Computing kpt #: 85 total cpu time spent up to now is 287.2 secs Computing kpt #: 86 total cpu time spent up to now is 289.6 secs Computing kpt #: 87 total cpu time spent up to now is 291.8 secs Computing kpt #: 88 total cpu time spent up to now is 294.2 secs Computing kpt #: 89 total cpu time spent up to now is 296.7 secs Computing kpt #: 90 total cpu time spent up to now is 299.2 secs Computing kpt #: 91 total cpu time spent up to now is 301.7 secs Computing kpt #: 92 total cpu time spent up to now is 304.2 secs Computing kpt #: 93 total cpu time spent up to now is 306.8 secs Computing kpt #: 94 total cpu time spent up to now is 309.5 secs Computing kpt #: 95 total cpu time spent up to now is 312.3 secs Computing kpt #: 96 total cpu time spent up to now is 315.1 secs Computing kpt #: 97 total cpu time spent up to now is 318.2 secs Computing kpt #: 98 total cpu time spent up to now is 320.9 secs Computing kpt #: 99 total cpu time spent up to now is 323.5 secs Computing kpt #: 100 total cpu time spent up to now is 326.0 secs Computing kpt #: 101 total cpu time spent up to now is 328.5 secs Computing kpt #: 102 total cpu time spent up to now is 331.0 secs Computing kpt #: 103 total cpu time spent up to now is 333.5 secs Computing kpt #: 104 total cpu time spent up to now is 335.9 secs Computing kpt #: 105 total cpu time spent up to now is 338.3 secs Computing kpt #: 106 total cpu time spent up to now is 340.7 secs Computing kpt #: 107 total cpu time spent up to now is 343.1 secs Computing kpt #: 108 total cpu time spent up to now is 345.5 secs Computing kpt #: 109 total cpu time spent up to now is 348.0 secs Computing kpt #: 110 total cpu time spent up to now is 350.5 secs Computing kpt #: 111 total cpu time spent up to now is 353.0 secs Computing kpt #: 112 total cpu time spent up to now is 355.7 secs Computing kpt #: 113 total cpu time spent up to now is 358.3 secs Computing kpt #: 114 total cpu time spent up to now is 360.9 secs Computing kpt #: 115 total cpu time spent up to now is 363.5 secs Computing kpt #: 116 total cpu time spent up to now is 366.4 secs Computing kpt #: 117 total cpu time spent up to now is 369.2 secs Computing kpt #: 118 total cpu time spent up to now is 372.2 secs Computing kpt #: 119 total cpu time spent up to now is 375.4 secs Computing kpt #: 120 total cpu time spent up to now is 378.5 secs Computing kpt #: 121 total cpu time spent up to now is 381.5 secs Computing kpt #: 122 total cpu time spent up to now is 384.3 secs Computing kpt #: 123 total cpu time spent up to now is 387.0 secs Computing kpt #: 124 total cpu time spent up to now is 389.6 secs Computing kpt #: 125 total cpu time spent up to now is 392.2 secs Computing kpt #: 126 total cpu time spent up to now is 394.7 secs Computing kpt #: 127 total cpu time spent up to now is 397.3 secs Computing kpt #: 128 total cpu time spent up to now is 399.4 secs Computing kpt #: 129 total cpu time spent up to now is 401.8 secs Computing kpt #: 130 total cpu time spent up to now is 404.0 secs Computing kpt #: 131 total cpu time spent up to now is 406.3 secs Computing kpt #: 132 total cpu time spent up to now is 408.4 secs Computing kpt #: 133 total cpu time spent up to now is 410.6 secs Computing kpt #: 134 total cpu time spent up to now is 412.6 secs Computing kpt #: 135 total cpu time spent up to now is 414.7 secs Computing kpt #: 136 total cpu time spent up to now is 416.7 secs Computing kpt #: 137 total cpu time spent up to now is 418.9 secs Computing kpt #: 138 total cpu time spent up to now is 421.0 secs Computing kpt #: 139 total cpu time spent up to now is 423.1 secs Computing kpt #: 140 total cpu time spent up to now is 425.2 secs Computing kpt #: 141 total cpu time spent up to now is 427.3 secs Computing kpt #: 142 total cpu time spent up to now is 429.4 secs Computing kpt #: 143 total cpu time spent up to now is 431.5 secs Computing kpt #: 144 total cpu time spent up to now is 433.6 secs Computing kpt #: 145 total cpu time spent up to now is 435.7 secs Computing kpt #: 146 total cpu time spent up to now is 437.8 secs Computing kpt #: 147 total cpu time spent up to now is 440.2 secs Computing kpt #: 148 total cpu time spent up to now is 442.5 secs Computing kpt #: 149 total cpu time spent up to now is 444.8 secs Computing kpt #: 150 total cpu time spent up to now is 446.9 secs Computing kpt #: 151 total cpu time spent up to now is 448.9 secs Computing kpt #: 152 total cpu time spent up to now is 451.0 secs Computing kpt #: 153 total cpu time spent up to now is 453.0 secs Computing kpt #: 154 total cpu time spent up to now is 455.1 secs Computing kpt #: 155 total cpu time spent up to now is 457.2 secs Computing kpt #: 156 total cpu time spent up to now is 459.2 secs Computing kpt #: 157 total cpu time spent up to now is 461.1 secs Computing kpt #: 158 total cpu time spent up to now is 463.2 secs Computing kpt #: 159 total cpu time spent up to now is 465.4 secs Computing kpt #: 160 total cpu time spent up to now is 467.5 secs Computing kpt #: 161 total cpu time spent up to now is 469.6 secs Computing kpt #: 162 total cpu time spent up to now is 471.7 secs Computing kpt #: 163 total cpu time spent up to now is 473.9 secs Computing kpt #: 164 total cpu time spent up to now is 475.9 secs Computing kpt #: 165 total cpu time spent up to now is 478.1 secs Computing kpt #: 166 total cpu time spent up to now is 480.5 secs Computing kpt #: 167 total cpu time spent up to now is 482.8 secs Computing kpt #: 168 total cpu time spent up to now is 485.3 secs Computing kpt #: 169 total cpu time spent up to now is 487.8 secs Computing kpt #: 170 total cpu time spent up to now is 490.3 secs Computing kpt #: 171 total cpu time spent up to now is 492.9 secs Computing kpt #: 172 total cpu time spent up to now is 495.8 secs Computing kpt #: 173 total cpu time spent up to now is 498.9 secs Computing kpt #: 174 total cpu time spent up to now is 502.8 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.5 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 512.3 secs Computing kpt #: 177 total cpu time spent up to now is 516.6 secs Computing kpt #: 178 total cpu time spent up to now is 519.8 secs Computing kpt #: 179 total cpu time spent up to now is 522.3 secs Computing kpt #: 180 total cpu time spent up to now is 525.0 secs Computing kpt #: 181 total cpu time spent up to now is 528.2 secs Computing kpt #: 182 total cpu time spent up to now is 531.9 secs Computing kpt #: 183 total cpu time spent up to now is 535.7 secs Computing kpt #: 184 total cpu time spent up to now is 539.5 secs Computing kpt #: 185 total cpu time spent up to now is 543.2 secs Computing kpt #: 186 total cpu time spent up to now is 547.0 secs Computing kpt #: 187 total cpu time spent up to now is 550.7 secs Computing kpt #: 188 total cpu time spent up to now is 554.6 secs Computing kpt #: 189 total cpu time spent up to now is 558.4 secs Computing kpt #: 190 total cpu time spent up to now is 562.3 secs Computing kpt #: 191 total cpu time spent up to now is 566.2 secs Computing kpt #: 192 total cpu time spent up to now is 570.2 secs Computing kpt #: 193 total cpu time spent up to now is 574.0 secs Computing kpt #: 194 total cpu time spent up to now is 578.4 secs Computing kpt #: 195 total cpu time spent up to now is 582.5 secs Computing kpt #: 196 total cpu time spent up to now is 586.4 secs Computing kpt #: 197 total cpu time spent up to now is 590.3 secs Computing kpt #: 198 total cpu time spent up to now is 594.4 secs Computing kpt #: 199 total cpu time spent up to now is 598.4 secs Computing kpt #: 200 total cpu time spent up to now is 602.3 secs Computing kpt #: 201 total cpu time spent up to now is 606.3 secs Computing kpt #: 202 total cpu time spent up to now is 610.2 secs Computing kpt #: 203 total cpu time spent up to now is 614.2 secs Computing kpt #: 204 total cpu time spent up to now is 618.2 secs Computing kpt #: 205 total cpu time spent up to now is 622.1 secs Computing kpt #: 206 total cpu time spent up to now is 626.2 secs Computing kpt #: 207 total cpu time spent up to now is 630.2 secs Computing kpt #: 208 total cpu time spent up to now is 633.7 secs Computing kpt #: 209 total cpu time spent up to now is 636.9 secs Computing kpt #: 210 total cpu time spent up to now is 640.1 secs Computing kpt #: 211 total cpu time spent up to now is 643.2 secs Computing kpt #: 212 total cpu time spent up to now is 646.7 secs Computing kpt #: 213 total cpu time spent up to now is 649.7 secs Computing kpt #: 214 total cpu time spent up to now is 652.6 secs Computing kpt #: 215 total cpu time spent up to now is 655.7 secs Computing kpt #: 216 total cpu time spent up to now is 658.6 secs Computing kpt #: 217 total cpu time spent up to now is 661.6 secs Computing kpt #: 218 total cpu time spent up to now is 664.5 secs Computing kpt #: 219 total cpu time spent up to now is 667.6 secs Computing kpt #: 220 total cpu time spent up to now is 670.6 secs Computing kpt #: 221 total cpu time spent up to now is 673.4 secs Computing kpt #: 222 total cpu time spent up to now is 676.2 secs Computing kpt #: 223 total cpu time spent up to now is 679.3 secs Computing kpt #: 224 total cpu time spent up to now is 682.3 secs Computing kpt #: 225 total cpu time spent up to now is 685.3 secs Computing kpt #: 226 total cpu time spent up to now is 688.4 secs Computing kpt #: 227 total cpu time spent up to now is 691.2 secs Computing kpt #: 228 total cpu time spent up to now is 694.1 secs Computing kpt #: 229 total cpu time spent up to now is 696.8 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 701.9 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.9 secs Computing kpt #: 232 total cpu time spent up to now is 711.5 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 716.5 secs Computing kpt #: 234 total cpu time spent up to now is 721.2 secs Computing kpt #: 235 total cpu time spent up to now is 725.9 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 730.8 secs Computing kpt #: 237 total cpu time spent up to now is 735.5 secs Computing kpt #: 238 total cpu time spent up to now is 739.5 secs Computing kpt #: 239 total cpu time spent up to now is 744.2 secs Computing kpt #: 240 total cpu time spent up to now is 748.8 secs Computing kpt #: 241 total cpu time spent up to now is 752.8 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 757.5 secs Computing kpt #: 243 total cpu time spent up to now is 762.1 secs Computing kpt #: 244 total cpu time spent up to now is 766.2 secs Computing kpt #: 245 total cpu time spent up to now is 770.7 secs Computing kpt #: 246 total cpu time spent up to now is 774.1 secs Computing kpt #: 247 total cpu time spent up to now is 778.1 secs Computing kpt #: 248 total cpu time spent up to now is 781.9 secs Computing kpt #: 249 total cpu time spent up to now is 786.4 secs Computing kpt #: 250 total cpu time spent up to now is 790.3 secs Computing kpt #: 251 total cpu time spent up to now is 793.5 secs Computing kpt #: 252 total cpu time spent up to now is 796.8 secs Computing kpt #: 253 total cpu time spent up to now is 800.5 secs Computing kpt #: 254 total cpu time spent up to now is 804.4 secs Computing kpt #: 255 total cpu time spent up to now is 808.2 secs Computing kpt #: 256 total cpu time spent up to now is 811.8 secs Computing kpt #: 257 total cpu time spent up to now is 815.7 secs Computing kpt #: 258 total cpu time spent up to now is 819.6 secs Computing kpt #: 259 total cpu time spent up to now is 823.3 secs Computing kpt #: 260 total cpu time spent up to now is 827.0 secs Computing kpt #: 261 total cpu time spent up to now is 830.8 secs Computing kpt #: 262 total cpu time spent up to now is 834.1 secs Computing kpt #: 263 total cpu time spent up to now is 836.6 secs ethr = 2.08E-11, avg # of iterations = 52.9 total cpu time spent up to now is 836.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -1.2959 -1.2959 3.5548 3.5548 3.5578 3.5578 3.5578 3.5578 7.1340 7.1340 7.1340 7.1340 7.1566 7.1566 8.7287 8.7287 8.7287 8.7287 8.7348 8.7348 9.2567 9.2567 9.5078 9.5078 9.5078 9.5078 9.8705 9.8705 9.8836 9.8836 9.8836 9.8836 10.3717 10.3717 10.3717 10.3717 10.3770 10.3770 11.6199 11.6199 11.6634 11.6634 11.6634 11.6634 11.8219 11.8219 11.8220 11.8220 12.2432 12.2432 12.2922 12.2922 12.2923 12.2923 13.9301 13.9301 13.9302 13.9302 k = 0.0000 0.0147-0.0000 ( 3743 PWs) bands (ev): -1.2945 -1.2945 3.4810 3.4829 3.5577 3.5578 3.6280 3.6301 7.0702 7.0837 7.1405 7.1447 7.2003 7.2167 8.6523 8.6547 8.7259 8.7266 8.8045 8.8104 9.2563 9.2579 9.5062 9.5081 9.5081 9.5117 9.8688 9.8727 9.8804 9.8825 9.8859 9.8872 10.3526 10.3566 10.3728 10.3728 10.3913 10.3945 11.6085 11.6285 11.6474 11.6556 11.6715 11.6802 11.8202 11.8205 11.8228 11.8236 12.2301 12.2539 12.2749 12.2864 12.3005 12.3106 13.8887 13.8948 13.9296 13.9334 k = 0.0000 0.0294-0.0000 ( 3735 PWs) bands (ev): -1.2902 -1.2902 3.4036 3.4054 3.5605 3.5608 3.6977 3.6998 7.0090 7.0237 7.1437 7.1471 7.2687 7.2840 8.5757 8.5766 8.7124 8.7143 8.8794 8.8870 9.2566 9.2594 9.5043 9.5077 9.5117 9.5189 9.8674 9.8756 9.8775 9.8829 9.8892 9.8913 10.3342 10.3391 10.3706 10.3714 10.4113 10.4135 11.5962 11.6318 11.6323 11.6464 11.6824 11.6977 11.8180 11.8188 11.8230 11.8252 12.2162 12.2577 12.2614 12.2814 12.3129 12.3301 13.8460 13.8528 13.9218 13.9277 k = 0.0000 0.0441-0.0000 ( 3735 PWs) bands (ev): -1.2830 -1.2830 3.3235 3.3252 3.5651 3.5656 3.7649 3.7670 6.9509 6.9659 7.1484 7.1520 7.3388 7.3533 8.4985 8.4990 8.6911 8.6940 8.9531 8.9625 9.2570 9.2603 9.5020 9.5066 9.5192 9.5294 9.8661 9.8750 9.8794 9.8849 9.8934 9.8957 10.3167 10.3224 10.3673 10.3689 10.4312 10.4327 11.5841 11.6180 11.6288 11.6347 11.6967 11.7154 11.8150 11.8171 11.8227 11.8267 12.2018 12.2418 12.2644 12.2764 12.3298 12.3512 13.8028 13.8100 13.9096 13.9179 k = 0.0000 0.0588-0.0000 ( 3735 PWs) bands (ev): -1.2730 -1.2730 3.2409 3.2424 3.5717 3.5724 3.8296 3.8317 6.8959 6.9111 7.1548 7.1591 7.4102 7.4239 8.4207 8.4227 8.6628 8.6667 9.0252 9.0363 9.2568 9.2596 9.4998 9.5050 9.5304 9.5430 9.8648 9.8727 9.8838 9.8884 9.8982 9.9006 10.3004 10.3068 10.3628 10.3651 10.4511 10.4517 11.5724 11.6047 11.6203 11.6205 11.7134 11.7332 11.8112 11.8156 11.8220 11.8280 12.1875 12.2260 12.2648 12.2710 12.3508 12.3743 13.7599 13.7671 13.8937 13.9045 k = 0.0000 0.0735-0.0000 ( 3735 PWs) bands (ev): -1.2601 -1.2601 3.1557 3.1571 3.5801 3.5810 3.8919 3.8939 6.8444 6.8596 7.1631 7.1680 7.4825 7.4953 8.3435 8.3470 8.6285 8.6335 9.0955 9.1078 9.2555 9.2564 9.4981 9.5035 9.5452 9.5592 9.8636 9.8707 9.8890 9.8931 9.9035 9.9060 10.2854 10.2926 10.3572 10.3603 10.4702 10.4705 11.5611 11.5923 11.6035 11.6077 11.7313 11.7501 11.8067 11.8142 11.8212 11.8291 12.1733 12.2105 12.2633 12.2649 12.3756 12.3999 13.7176 13.7248 13.8745 13.8878 k = 0.0000 0.0882-0.0000 ( 3723 PWs) bands (ev): -1.2444 -1.2444 3.0680 3.0693 3.5905 3.5915 3.9520 3.9539 6.7964 6.8114 7.1730 7.1788 7.5552 7.5670 8.2675 8.2726 8.5891 8.5952 9.1634 9.1750 9.2500 9.2541 9.4973 9.5024 9.5630 9.5778 9.8626 9.8690 9.8947 9.8988 9.9094 9.9117 10.2721 10.2801 10.3505 10.3543 10.4882 10.4894 11.5498 11.5807 11.5848 11.5913 11.7497 11.7653 11.8015 11.8129 11.8213 11.8302 12.1595 12.1955 12.2583 12.2603 12.4043 12.4286 13.6764 13.6835 13.8528 13.8684 k = 0.0000 0.1029-0.0000 ( 3723 PWs) bands (ev): -1.2258 -1.2258 2.9779 2.9791 3.6026 3.6039 4.0098 4.0115 6.7520 6.7667 7.1846 7.1913 7.6279 7.6382 8.1928 8.1998 8.5453 8.5526 9.2217 9.2270 9.2417 9.2676 9.4976 9.5021 9.5834 9.5982 9.8617 9.8675 9.9008 9.9053 9.9156 9.9177 10.2607 10.2695 10.3426 10.3473 10.5053 10.5075 11.5369 11.5658 11.5695 11.5720 11.7676 11.7766 11.7956 11.8116 11.8234 11.8311 12.1460 12.1808 12.2509 12.2560 12.4371 12.4609 13.6368 13.6435 13.8291 13.8470 k = 0.0000 0.1176-0.0000 ( 3715 PWs) bands (ev): -1.2044 -1.2044 2.8856 2.8867 3.6166 3.6180 4.0654 4.0669 6.7114 6.7256 7.1977 7.2054 7.6999 7.7079 8.1201 8.1298 8.4978 8.5065 9.2230 9.2260 9.2913 9.3202 9.4993 9.5030 9.6058 9.6199 9.8611 9.8662 9.9072 9.9123 9.9221 9.9241 10.2516 10.2612 10.3336 10.3392 10.5213 10.5244 11.5192 11.5486 11.5499 11.5601 11.7824 11.7843 11.7893 11.8104 11.8291 11.8320 12.1329 12.1667 12.2427 12.2507 12.4743 12.4974 13.5989 13.6051 13.8039 13.8239 k = 0.0000 0.1324-0.0000 ( 3715 PWs) bands (ev): -1.1802 -1.1802 2.7912 2.7921 3.6324 3.6340 4.1188 4.1200 6.6743 6.6880 7.2122 7.2210 7.7699 7.7737 8.0508 8.0649 8.4473 8.4573 9.2096 9.2112 9.3491 9.3787 9.5023 9.5052 9.6296 9.6425 9.8609 9.8653 9.9137 9.9196 9.9288 9.9308 10.2450 10.2553 10.3236 10.3300 10.5359 10.5401 11.4955 11.5234 11.5387 11.5508 11.7818 11.7828 11.7999 11.8093 11.8324 11.8379 12.1204 12.1533 12.2338 12.2444 12.5161 12.5384 13.5629 13.5685 13.7778 13.7997 k = 0.0000 0.1471-0.0000 ( 3703 PWs) bands (ev): -1.1531 -1.1531 2.6949 2.6957 3.6500 3.6518 4.1701 4.1710 6.6410 6.6539 7.2279 7.2379 7.8279 7.8335 7.9891 8.0129 8.3942 8.4055 9.1902 9.1950 9.4024 9.4340 9.5066 9.5088 9.6543 9.6655 9.8614 9.8649 9.9203 9.9271 9.9358 9.9378 10.2415 10.2522 10.3126 10.3197 10.5492 10.5544 11.4674 11.4960 11.5306 11.5421 11.7740 11.7798 11.8081 11.8134 11.8331 11.8471 12.1087 12.1407 12.2243 12.2372 12.5626 12.5841 13.5291 13.5338 13.7512 13.7748 k = 0.0000 0.1618-0.0000 ( 3699 PWs) bands (ev): -1.1233 -1.1233 2.5967 2.5974 3.6694 3.6714 4.2193 4.2198 6.6112 6.6233 7.2447 7.2561 7.8448 7.8627 7.9630 7.9995 8.3390 8.3516 9.1683 9.1756 9.4500 9.4839 9.5122 9.5138 9.6795 9.6888 9.8627 9.8652 9.9267 9.9344 9.9428 9.9451 10.2413 10.2520 10.3008 10.3083 10.5607 10.5670 11.4370 11.4669 11.5240 11.5341 11.7659 11.7750 11.8071 11.8241 11.8336 11.8552 12.0977 12.1290 12.2140 12.2292 12.6137 12.6344 13.4974 13.5012 13.7243 13.7494 k = 0.0000 0.1765-0.0000 ( 3691 PWs) bands (ev): -1.0906 -1.0906 2.4970 2.4976 3.6905 3.6927 4.2663 4.2663 6.5850 6.5960 7.2623 7.2752 7.8116 7.8237 8.0062 8.0378 8.2824 8.2958 9.1445 9.1539 9.4907 9.5193 9.5196 9.5275 9.7048 9.7118 9.8656 9.8667 9.9328 9.9413 9.9499 9.9528 10.2448 10.2539 10.2894 10.2959 10.5704 10.5778 11.4049 11.4364 11.5185 11.5267 11.7572 11.7689 11.8061 11.8322 11.8341 11.8615 12.0874 12.1183 12.2031 12.2204 12.6686 12.6889 13.4681 13.4707 13.6975 13.7237 k = 0.0000 0.1912-0.0000 ( 3691 PWs) bands (ev): -1.0552 -1.0552 2.3959 2.3964 3.7132 3.7156 4.3104 4.3110 6.5623 6.5720 7.2804 7.2950 7.7603 7.7677 8.0667 8.0958 8.2257 8.2385 9.1191 9.1302 9.5194 9.5271 9.5319 9.5625 9.7299 9.7343 9.8697 9.8703 9.9385 9.9476 9.9571 9.9610 10.2516 10.2538 10.2826 10.2830 10.5781 10.5865 11.3718 11.4051 11.5139 11.5198 11.7482 11.7621 11.8053 11.8345 11.8378 11.8657 12.0779 12.1086 12.1916 12.2109 12.7265 12.7465 13.4410 13.4423 13.6708 13.6980 k = 0.0000 0.2059-0.0000 ( 3683 PWs) bands (ev): -1.0170 -1.0170 2.2936 2.2940 3.7376 3.7402 4.3521 4.3533 6.5428 6.5511 7.2988 7.3152 7.7063 7.7114 8.1163 8.1573 8.1808 8.1811 9.0928 9.1053 9.5311 9.5352 9.5541 9.5888 9.7543 9.7559 9.8744 9.8773 9.9438 9.9533 9.9646 9.9697 10.2445 10.2556 10.2761 10.2876 10.5838 10.5933 11.3382 11.3732 11.5100 11.5136 11.7389 11.7545 11.8046 11.8349 11.8409 11.8678 12.0692 12.1001 12.1796 12.2008 12.7860 12.8062 13.4162 13.4164 13.6445 13.6723 k = 0.0000 0.2206-0.0000 ( 3683 PWs) bands (ev): -0.9760 -0.9760 2.1904 2.1907 3.7635 3.7664 4.3912 4.3931 6.5266 6.5333 7.3169 7.3354 7.6537 7.6577 8.0891 8.1198 8.2114 8.2224 9.0659 9.0797 9.5400 9.5440 9.5712 9.6060 9.7763 9.7779 9.8809 9.8863 9.9485 9.9583 9.9723 9.9791 10.2288 10.2438 10.2883 10.3019 10.5874 10.5979 11.3045 11.3414 11.5068 11.5080 11.7293 11.7465 11.8040 11.8353 11.8419 11.8680 12.0612 12.0926 12.1671 12.1900 12.8455 12.8661 13.3922 13.3940 13.6185 13.6465 k = 0.0000 0.2353-0.0000 ( 3683 PWs) bands (ev): -0.9323 -0.9323 2.0864 2.0867 3.7910 3.7942 4.4276 4.4302 6.5136 6.5185 7.3344 7.3553 7.6042 7.6076 8.0308 8.0597 8.2713 8.2852 9.0390 9.0539 9.5488 9.5534 9.5806 9.6146 9.7952 9.8002 9.8887 9.8965 9.9527 9.9628 9.9804 9.9893 10.2103 10.2260 10.3096 10.3217 10.5888 10.6003 11.2711 11.3099 11.5030 11.5043 11.7194 11.7382 11.8036 11.8356 11.8411 11.8668 12.0537 12.0859 12.1541 12.1787 12.9029 12.9242 13.3704 13.3739 13.5929 13.6210 k = 0.0000 0.2500-0.0000 ( 3675 PWs) bands (ev): -0.8859 -0.8859 1.9818 1.9821 3.8200 3.8234 4.4610 4.4644 6.5036 6.5066 7.3506 7.3743 7.5586 7.5617 7.9694 7.9992 8.3328 8.3472 9.0126 9.0285 9.5576 9.5631 9.5829 9.6157 9.8124 9.8208 9.8972 9.9069 9.9562 9.9666 9.9893 10.0003 10.1900 10.2060 10.3361 10.3456 10.5882 10.6006 11.2385 11.2791 11.4988 11.5025 11.7095 11.7295 11.8035 11.8359 11.8390 11.8647 12.0464 12.0798 12.1408 12.1669 12.9563 12.9783 13.3508 13.3562 13.5679 13.5955 k = 0.0000 0.2647-0.0000 ( 3675 PWs) bands (ev): -0.8369 -0.8369 1.8769 1.8771 3.8504 3.8540 4.4913 4.4954 6.4967 6.4975 7.3646 7.3916 7.5177 7.5205 7.9073 7.9388 8.3935 8.4080 8.9872 9.0042 9.5662 9.5728 9.5789 9.6106 9.8275 9.8392 9.9056 9.9165 9.9592 9.9698 9.9989 10.0122 10.1686 10.1844 10.3664 10.3728 10.5855 10.5987 11.2069 11.2493 11.4952 11.5012 11.6993 11.7205 11.8035 11.8359 11.8360 11.8621 12.0394 12.0741 12.1271 12.1546 13.0036 13.0263 13.3334 13.3408 13.5432 13.5702 k = 0.0000 0.2794-0.0000 ( 3675 PWs) bands (ev): -0.7852 -0.7851 1.7719 1.7720 3.8820 3.8860 4.5181 4.5231 6.4915 6.4928 7.3753 7.4064 7.4820 7.4842 7.8458 7.8792 8.4532 8.4676 8.9635 8.9814 9.5686 9.5756 9.5819 9.6011 9.8401 9.8549 9.9132 9.9247 9.9616 9.9724 10.0093 10.0249 10.1468 10.1617 10.3997 10.4026 10.5808 10.5947 11.1766 11.2207 11.4923 11.5007 11.6892 11.7114 11.8038 11.8324 11.8357 11.8596 12.0325 12.0687 12.1131 12.1419 13.0435 13.0666 13.3181 13.3277 13.5189 13.5449 k = 0.0000 0.2941-0.0000 ( 3671 PWs) bands (ev): -0.7308 -0.7308 1.6668 1.6670 3.9150 3.9192 4.5412 4.5470 6.4884 6.4921 7.3808 7.4169 7.4528 7.4534 7.7860 7.8212 8.5116 8.5259 8.9419 8.9609 9.5553 9.5823 9.5830 9.5959 9.8498 9.8673 9.9196 9.9312 9.9635 9.9744 10.0199 10.0382 10.1260 10.1389 10.4342 10.4349 10.5743 10.5887 11.1477 11.1936 11.4903 11.5008 11.6789 11.7021 11.8045 11.8286 11.8351 11.8577 12.0257 12.0635 12.0989 12.1289 13.0754 13.0986 13.3050 13.3169 13.4951 13.5199 k = 0.0000 0.3088-0.0000 ( 3655 PWs) bands (ev): -0.6738 -0.6738 1.5620 1.5621 3.9490 3.9536 4.5605 4.5671 6.4885 6.4945 7.3786 7.4179 7.4312 7.4316 7.7295 7.7658 8.5687 8.5830 8.9231 8.9431 9.5380 9.5664 9.5899 9.6030 9.8563 9.8759 9.9245 9.9359 9.9651 9.9761 10.0288 10.0511 10.1089 10.1176 10.4669 10.4709 10.5667 10.5811 11.1205 11.1680 11.4891 11.5017 11.6688 11.6929 11.8054 11.8250 11.8341 11.8567 12.0188 12.0583 12.0847 12.1157 13.0998 13.1225 13.2941 13.3086 13.4717 13.4949 k = 0.0000 0.3235-0.0000 ( 3659 PWs) bands (ev): -0.6143 -0.6142 1.4576 1.4577 3.9841 3.9890 4.5755 4.5829 6.4919 6.5003 7.3684 7.4023 7.4159 7.4231 7.6790 7.7148 8.6245 8.6386 8.9075 8.9285 9.5175 9.5462 9.5954 9.6106 9.8591 9.8802 9.9276 9.9386 9.9665 9.9775 10.0315 10.0593 10.1010 10.1030 10.4993 10.5049 10.5598 10.5723 11.0947 11.1437 11.4888 11.5033 11.6586 11.6835 11.8066 11.8216 11.8328 11.8565 12.0118 12.0529 12.0703 12.1022 13.1175 13.1394 13.2852 13.3025 13.4486 13.4702 k = 0.0000 0.3382-0.0000 ( 3659 PWs) bands (ev): -0.5522 -0.5521 1.3538 1.3538 4.0201 4.0253 4.5862 4.5943 6.4988 6.5095 7.3538 7.3870 7.4009 7.4074 7.6378 7.6701 8.6789 8.6930 8.8956 8.9177 9.4945 9.5235 9.5989 9.6166 9.8578 9.8800 9.9287 9.9394 9.9680 9.9787 10.0251 10.0538 10.1050 10.1061 10.5250 10.5284 10.5652 10.5652 11.0704 11.1208 11.4893 11.5056 11.6485 11.6740 11.8081 11.8188 11.8316 11.8572 12.0048 12.0475 12.0561 12.0888 13.1302 13.1506 13.2785 13.2987 13.4260 13.4458 k = 0.0000 0.3529-0.0000 ( 3659 PWs) bands (ev): -0.4875 -0.4875 1.2506 1.2507 4.0569 4.0624 4.5924 4.6011 6.5094 6.5223 7.3363 7.3757 7.3784 7.3832 7.6080 7.6331 8.7320 8.7460 8.8879 8.9110 9.4696 9.4989 9.5995 9.6202 9.8528 9.8753 9.9279 9.9382 9.9695 9.9800 10.0147 10.0403 10.1191 10.1203 10.5200 10.5367 10.5770 10.5938 11.0476 11.0991 11.4908 11.5087 11.6385 11.6645 11.8098 11.8166 11.8308 11.8584 11.9977 12.0418 12.0420 12.0755 13.1392 13.1579 13.2737 13.2971 13.4038 13.4219 k = 0.0000 0.3676-0.0000 ( 3655 PWs) bands (ev): -0.4205 -0.4204 1.1484 1.1484 4.0944 4.1002 4.5940 4.6033 6.5240 6.5388 7.3111 7.3359 7.3670 7.3697 7.5882 7.6040 8.7835 8.7975 8.8846 8.9086 9.4431 9.4730 9.5962 9.6199 9.8449 9.8671 9.9252 9.9352 9.9712 9.9814 10.0052 10.0274 10.1373 10.1390 10.5070 10.5256 10.6060 10.6283 11.0259 11.0784 11.4932 11.5126 11.6286 11.6552 11.8117 11.8153 11.8306 11.8600 11.9907 12.0282 12.0360 12.0624 13.1460 13.1627 13.2709 13.2976 13.3822 13.3985 k = 0.0000 0.3824-0.0000 ( 3655 PWs) bands (ev): -0.3509 -0.3509 1.0471 1.0471 4.1323 4.1385 4.5910 4.6008 6.5426 6.5592 7.2740 7.2851 7.3582 7.3676 7.5743 7.5813 8.8331 8.8472 8.8859 8.9107 9.4158 9.4463 9.5880 9.6143 9.8361 9.8573 9.9209 9.9305 9.9730 9.9828 9.9982 10.0172 10.1570 10.1600 10.4913 10.5103 10.6369 10.6631 11.0053 11.0584 11.4965 11.5172 11.6189 11.6458 11.8130 11.8154 11.8312 11.8617 11.9838 12.0149 12.0300 12.0498 13.1517 13.1663 13.2700 13.3000 13.3610 13.3760 k = 0.0000 0.3971-0.0000 ( 3647 PWs) bands (ev): -0.2790 -0.2790 0.9470 0.9470 4.1705 4.1771 4.5836 4.5936 6.5653 6.5834 7.2278 7.2295 7.3564 7.3696 7.5624 7.5627 8.8800 8.8923 8.8945 8.9173 9.3884 9.4197 9.5739 9.6021 9.8286 9.8482 9.9154 9.9242 9.9748 9.9844 9.9935 10.0099 10.1778 10.1822 10.4742 10.4933 10.6673 10.6970 10.9854 11.0389 11.5006 11.5224 11.6092 11.6364 11.8136 11.8173 11.8326 11.8635 11.9771 12.0023 12.0240 12.0378 13.1572 13.1697 13.2707 13.3044 13.3406 13.3548 k = 0.0000 0.4118-0.0000 ( 3647 PWs) bands (ev): -0.2048 -0.2047 0.8481 0.8481 4.2088 4.2158 4.5718 4.5820 6.5923 6.6116 7.1716 7.1764 7.3596 7.3751 7.5452 7.5511 8.9014 8.9255 8.9273 8.9395 9.3622 9.3942 9.5535 9.5828 9.8243 9.8417 9.9087 9.9167 9.9765 9.9859 9.9905 10.0049 10.1991 10.2052 10.4559 10.4749 10.6967 10.7298 10.9661 11.0197 11.5054 11.5283 11.5997 11.6271 11.8144 11.8195 11.8349 11.8651 11.9707 11.9904 12.0180 12.0268 13.1629 13.1735 13.2726 13.3106 13.3209 13.3353 k = 0.0000 0.4265-0.0000 ( 3659 PWs) bands (ev): -0.1282 -0.1282 0.7506 0.7506 4.2469 4.2543 4.5559 4.5662 6.6234 6.6436 7.1129 7.1224 7.3667 7.3839 7.5284 7.5386 8.9157 8.9419 8.9650 8.9792 9.3388 9.3716 9.5273 9.5568 9.8238 9.8384 9.9011 9.9080 9.9780 9.9872 9.9885 10.0013 10.2208 10.2286 10.4366 10.4554 10.7249 10.7610 10.9469 11.0003 11.5109 11.5347 11.5903 11.6178 11.8156 11.8217 11.8378 11.8661 11.9647 11.9797 12.0122 12.0169 13.1695 13.1782 13.2740 13.3016 13.3190 13.3195 k = 0.0000 0.4412-0.0000 ( 3652 PWs) bands (ev): -0.0494 -0.0494 0.6545 0.6546 4.2847 4.2925 4.5362 4.5465 6.6586 6.6794 7.0545 7.0674 7.3771 7.3953 7.5113 7.5247 8.9332 8.9594 8.9979 9.0126 9.3211 9.3544 9.4965 9.5258 9.8267 9.8384 9.8931 9.8987 9.9794 9.9871 9.9886 9.9988 10.2429 10.2523 10.4167 10.4351 10.7519 10.7909 10.9279 10.9808 11.5170 11.5417 11.5811 11.6087 11.8175 11.8237 11.8416 11.8667 11.9595 11.9703 12.0067 12.0088 13.1771 13.1842 13.2710 13.2837 13.3114 13.3291 k = 0.0000 0.4559-0.0000 ( 3656 PWs) bands (ev): 0.0316 0.0316 0.5601 0.5601 4.3218 4.3301 4.5130 4.5231 6.6976 6.7187 6.9970 7.0125 7.3900 7.4090 7.4936 7.5094 8.9533 8.9791 9.0208 9.0365 9.3126 9.3457 9.4624 9.4914 9.8323 9.8411 9.8846 9.8888 9.9807 9.9861 9.9899 9.9970 10.2652 10.2761 10.3961 10.4139 10.7776 10.8192 10.9086 10.9607 11.5238 11.5491 11.5722 11.5997 11.8196 11.8251 11.8458 11.8662 11.9551 11.9624 12.0013 12.0027 13.1859 13.1915 13.2608 13.2667 13.3139 13.3410 k = 0.0000 0.4706-0.0000 ( 3652 PWs) bands (ev): 0.1148 0.1148 0.4673 0.4673 4.3580 4.3667 4.4867 4.4966 6.7402 6.7613 6.9409 6.9585 7.4050 7.4244 7.4755 7.4930 8.9747 8.9998 9.0308 9.0484 9.3164 9.3486 9.4269 9.4558 9.8399 9.8459 9.8761 9.8787 9.9818 9.9853 9.9911 9.9956 10.2874 10.2999 10.3750 10.3920 10.8020 10.8461 10.8889 10.9400 11.5310 11.5569 11.5634 11.5908 11.8218 11.8259 11.8503 11.8647 11.9519 11.9564 11.9970 11.9984 13.1959 13.2004 13.2471 13.2507 13.3232 13.3549 k = 0.0000 0.4853-0.0000 ( 3664 PWs) bands (ev): 0.2000 0.2000 0.3763 0.3764 4.3930 4.4020 4.4577 4.4673 6.7861 6.8069 6.8869 6.9059 7.4215 7.4410 7.4572 7.4758 8.9960 9.0198 9.0277 9.0476 9.3329 9.3638 9.3917 9.4208 9.8487 9.8522 9.8677 9.8684 9.9828 9.9845 9.9922 9.9943 10.3096 10.3234 10.3535 10.3696 10.8251 10.8684 10.8713 10.9182 11.5386 11.5549 11.5650 11.5820 11.8236 11.8259 11.8546 11.8621 11.9502 11.9523 11.9946 11.9955 13.2071 13.2108 13.2330 13.2360 13.3364 13.3707 k = 0.0000 0.5000-0.0000 ( 3668 PWs) bands (ev): 0.2872 0.2872 0.2872 0.2872 4.4263 4.4263 4.4356 4.4356 6.8351 6.8351 6.8552 6.8552 7.4391 7.4391 7.4583 7.4583 9.0147 9.0147 9.0368 9.0368 9.3593 9.3593 9.3891 9.3891 9.8583 9.8583 9.8596 9.8596 9.9837 9.9837 9.9932 9.9932 10.3316 10.3316 10.3466 10.3466 10.8472 10.8472 10.8954 10.8954 11.5465 11.5465 11.5734 11.5734 11.8251 11.8251 11.8587 11.8587 11.9502 11.9502 11.9942 11.9942 13.2195 13.2195 13.2227 13.2227 13.3524 13.3524 k = 0.0000 0.5000-0.0000 ( 3668 PWs) bands (ev): 0.2872 0.2872 0.2872 0.2872 4.4263 4.4263 4.4356 4.4356 6.8351 6.8351 6.8552 6.8552 7.4391 7.4391 7.4583 7.4583 9.0147 9.0147 9.0368 9.0368 9.3593 9.3593 9.3891 9.3891 9.8583 9.8583 9.8596 9.8596 9.9837 9.9837 9.9932 9.9932 10.3316 10.3316 10.3466 10.3466 10.8472 10.8472 10.8954 10.8954 11.5465 11.5465 11.5734 11.5734 11.8251 11.8251 11.8587 11.8587 11.9502 11.9502 11.9942 11.9942 13.2195 13.2195 13.2227 13.2227 13.3524 13.3524 k = 0.0147 0.5000-0.0000 ( 3664 PWs) bands (ev): 0.2884 0.2884 0.2885 0.2885 4.4228 4.4228 4.4322 4.4322 6.8341 6.8341 6.8547 6.8547 7.4407 7.4407 7.4606 7.4606 9.0140 9.0140 9.0359 9.0359 9.3588 9.3588 9.3890 9.3890 9.8580 9.8580 9.8610 9.8610 9.9851 9.9851 9.9946 9.9946 10.3321 10.3321 10.3471 10.3471 10.8476 10.8476 10.8957 10.8957 11.5455 11.5455 11.5723 11.5723 11.8251 11.8251 11.8588 11.8588 11.9503 11.9503 11.9940 11.9940 13.2227 13.2227 13.2262 13.2262 13.3521 13.3521 k = 0.0294 0.5000-0.0000 ( 3638 PWs) bands (ev): 0.2922 0.2922 0.2923 0.2923 4.4124 4.4124 4.4218 4.4218 6.8313 6.8313 6.8533 6.8533 7.4456 7.4456 7.4673 7.4673 9.0117 9.0118 9.0333 9.0333 9.3573 9.3573 9.3888 9.3888 9.8586 9.8586 9.8639 9.8640 9.9894 9.9894 9.9986 9.9987 10.3334 10.3334 10.3485 10.3485 10.8487 10.8487 10.8970 10.8970 11.5425 11.5425 11.5690 11.5690 11.8250 11.8250 11.8590 11.8590 11.9507 11.9507 11.9936 11.9936 13.2320 13.2321 13.2366 13.2367 13.3511 13.3511 k = 0.0441 0.5000-0.0000 ( 3642 PWs) bands (ev): 0.2985 0.2985 0.2986 0.2986 4.3951 4.3951 4.4045 4.4045 6.8271 6.8271 6.8511 6.8511 7.4538 7.4538 7.4778 7.4778 9.0079 9.0079 9.0288 9.0289 9.3546 9.3546 9.3879 9.3879 9.8604 9.8604 9.8681 9.8682 9.9960 9.9961 10.0050 10.0050 10.3355 10.3355 10.3506 10.3506 10.8504 10.8504 10.8988 10.8988 11.5375 11.5375 11.5636 11.5636 11.8243 11.8243 11.8589 11.8590 11.9512 11.9513 11.9928 11.9928 13.2467 13.2468 13.2535 13.2535 13.3498 13.3498 k = 0.0588 0.5000-0.0000 ( 3646 PWs) bands (ev): 0.3073 0.3073 0.3074 0.3074 4.3710 4.3710 4.3804 4.3804 6.8224 6.8224 6.8484 6.8484 7.4649 7.4649 7.4914 7.4914 9.0026 9.0026 9.0228 9.0228 9.3507 9.3507 9.3862 9.3862 9.8640 9.8641 9.8739 9.8739 10.0047 10.0047 10.0135 10.0135 10.3384 10.3384 10.3536 10.3537 10.8527 10.8527 10.9014 10.9014 11.5306 11.5306 11.5562 11.5562 11.8230 11.8230 11.8584 11.8584 11.9526 11.9526 11.9923 11.9923 13.2653 13.2653 13.2757 13.2758 13.3490 13.3490 k = 0.0735 0.5000-0.0000 ( 3648 PWs) bands (ev): 0.3185 0.3186 0.3187 0.3187 4.3404 4.3404 4.3498 4.3498 6.8178 6.8178 6.8457 6.8457 7.4787 7.4787 7.5074 7.5074 8.9958 8.9958 9.0152 9.0152 9.3455 9.3455 9.3831 9.3831 9.8698 9.8698 9.8815 9.8815 10.0149 10.0150 10.0238 10.0239 10.3422 10.3422 10.3575 10.3575 10.8556 10.8556 10.9047 10.9047 11.5220 11.5220 11.5469 11.5469 11.8205 11.8205 11.8569 11.8569 11.9550 11.9550 11.9925 11.9925 13.2845 13.2846 13.2997 13.2997 13.3523 13.3523 k = 0.0882 0.5000-0.0000 ( 3652 PWs) bands (ev): 0.3323 0.3323 0.3325 0.3325 4.3035 4.3035 4.3128 4.3128 6.8140 6.8140 6.8435 6.8435 7.4946 7.4946 7.5252 7.5252 8.9875 8.9875 9.0062 9.0062 9.3388 9.3388 9.3784 9.3784 9.8779 9.8779 9.8911 9.8911 10.0263 10.0263 10.0356 10.0357 10.3467 10.3467 10.3621 10.3621 10.8592 10.8592 10.9086 10.9086 11.5117 11.5118 11.5360 11.5360 11.8166 11.8166 11.8541 11.8541 11.9587 11.9587 11.9937 11.9937 13.2996 13.2997 13.3143 13.3143 13.3708 13.3708 k = 0.1029 0.5000-0.0000 ( 3662 PWs) bands (ev): 0.3485 0.3485 0.3488 0.3488 4.2605 4.2605 4.2697 4.2697 6.8117 6.8117 6.8426 6.8426 7.5122 7.5122 7.5441 7.5442 8.9776 8.9776 8.9959 8.9959 9.3305 9.3305 9.3718 9.3718 9.8884 9.8884 9.9028 9.9028 10.0383 10.0384 10.0484 10.0485 10.3521 10.3521 10.3675 10.3675 10.8633 10.8633 10.9131 10.9131 11.5000 11.5000 11.5234 11.5235 11.8110 11.8110 11.8498 11.8498 11.9639 11.9639 11.9964 11.9964 13.3064 13.3065 13.3161 13.3162 13.4080 13.4080 k = 0.1176 0.5000-0.0000 ( 3664 PWs) bands (ev): 0.3672 0.3672 0.3675 0.3675 4.2118 4.2118 4.2209 4.2209 6.8113 6.8114 6.8432 6.8433 7.5309 7.5309 7.5639 7.5639 8.9662 8.9662 8.9842 8.9842 9.3206 9.3207 9.3632 9.3632 9.9013 9.9013 9.9165 9.9166 10.0508 10.0509 10.0619 10.0620 10.3584 10.3584 10.3738 10.3738 10.8680 10.8680 10.9183 10.9183 11.4868 11.4868 11.5095 11.5096 11.8038 11.8038 11.8438 11.8438 11.9706 11.9706 12.0010 12.0010 13.3045 13.3045 13.3138 13.3138 13.4557 13.4557 k = 0.1324 0.5000-0.0000 ( 3664 PWs) bands (ev): 0.3882 0.3882 0.3886 0.3886 4.1577 4.1577 4.1667 4.1667 6.8134 6.8134 6.8460 6.8460 7.5505 7.5505 7.5840 7.5840 8.9532 8.9532 8.9712 8.9712 9.3092 9.3092 9.3527 9.3527 9.9164 9.9164 9.9321 9.9322 10.0634 10.0635 10.0757 10.0757 10.3657 10.3657 10.3810 10.3810 10.8732 10.8732 10.9239 10.9239 11.4724 11.4724 11.4943 11.4944 11.7950 11.7950 11.8362 11.8362 11.9786 11.9786 12.0073 12.0073 13.2973 13.2973 13.3090 13.3090 13.5099 13.5099 k = 0.1471 0.5000-0.0000 ( 3660 PWs) bands (ev): 0.4117 0.4117 0.4121 0.4121 4.0987 4.0987 4.1076 4.1076 6.8182 6.8182 6.8513 6.8513 7.5704 7.5704 7.6041 7.6041 8.9387 8.9387 8.9569 8.9569 9.2963 9.2963 9.3403 9.3403 9.9334 9.9334 9.9494 9.9495 10.0758 10.0759 10.0892 10.0892 10.3740 10.3740 10.3893 10.3893 10.8789 10.8789 10.9300 10.9300 11.4568 11.4568 11.4780 11.4780 11.7849 11.7849 11.8271 11.8271 11.9879 11.9879 12.0155 12.0155 13.2873 13.2873 13.3015 13.3015 13.5690 13.5690 k = 0.1618 0.5000-0.0000 ( 3668 PWs) bands (ev): 0.4374 0.4374 0.4379 0.4379 4.0352 4.0352 4.0438 4.0439 6.8259 6.8259 6.8592 6.8592 7.5905 7.5905 7.6240 7.6240 8.9224 8.9224 8.9409 8.9409 9.2821 9.2821 9.3263 9.3263 9.9519 9.9520 9.9679 9.9680 10.0877 10.0878 10.1022 10.1022 10.3836 10.3836 10.3988 10.3988 10.8848 10.8848 10.9364 10.9364 11.4400 11.4401 11.4605 11.4605 11.7736 11.7736 11.8166 11.8166 11.9983 11.9983 12.0252 12.0252 13.2753 13.2753 13.2915 13.2915 13.6313 13.6313 k = 0.1765 0.5000-0.0000 ( 3670 PWs) bands (ev): 0.4654 0.4655 0.4659 0.4659 3.9677 3.9677 3.9761 3.9761 6.8366 6.8366 6.8700 6.8701 7.6105 7.6105 7.6436 7.6436 8.9045 8.9045 8.9233 8.9233 9.2669 9.2669 9.3109 9.3109 9.9716 9.9716 9.9874 9.9874 10.0991 10.0991 10.1143 10.1144 10.3945 10.3945 10.4098 10.4098 10.8910 10.8910 10.9430 10.9430 11.4223 11.4223 11.4420 11.4420 11.7615 11.7615 11.8050 11.8051 12.0098 12.0098 12.0362 12.0362 13.2614 13.2614 13.2794 13.2794 13.6953 13.6953 k = 0.1912 0.5000-0.0000 ( 3666 PWs) bands (ev): 0.4957 0.4957 0.4962 0.4962 3.8967 3.8967 3.9048 3.9048 6.8505 6.8505 6.8838 6.8839 7.6302 7.6302 7.6627 7.6627 8.8848 8.8848 8.9038 8.9039 9.2510 9.2510 9.2944 9.2945 9.9919 9.9919 10.0071 10.0072 10.1099 10.1099 10.1255 10.1255 10.4069 10.4069 10.4224 10.4224 10.8973 10.8973 10.9497 10.9497 11.4037 11.4037 11.4226 11.4227 11.7488 11.7488 11.7926 11.7927 12.0223 12.0223 12.0484 12.0484 13.2458 13.2458 13.2652 13.2652 13.7590 13.7590 k = 0.2059 0.5000-0.0000 ( 3658 PWs) bands (ev): 0.5281 0.5281 0.5287 0.5287 3.8225 3.8225 3.8303 3.8303 6.8674 6.8674 6.9007 6.9007 7.6496 7.6496 7.6812 7.6812 8.8632 8.8632 8.8823 8.8823 9.2347 9.2347 9.2773 9.2773 10.0123 10.0123 10.0267 10.0267 10.1205 10.1205 10.1355 10.1356 10.4211 10.4211 10.4368 10.4368 10.9035 10.9035 10.9562 10.9562 11.3841 11.3842 11.4024 11.4024 11.7357 11.7357 11.7796 11.7797 12.0356 12.0356 12.0616 12.0616 13.2283 13.2283 13.2490 13.2490 13.8196 13.8196 k = 0.2206 0.5000-0.0000 ( 3654 PWs) bands (ev): 0.5626 0.5626 0.5633 0.5633 3.7458 3.7458 3.7533 3.7533 6.8874 6.8874 6.9204 6.9204 7.6685 7.6685 7.6990 7.6990 8.8394 8.8394 8.8585 8.8585 9.2183 9.2183 9.2597 9.2597 10.0319 10.0319 10.0453 10.0453 10.1315 10.1315 10.1449 10.1449 10.4370 10.4370 10.4530 10.4530 10.9095 10.9095 10.9623 10.9623 11.3639 11.3639 11.3814 11.3815 11.7223 11.7223 11.7661 11.7662 12.0497 12.0497 12.0756 12.0756 13.2089 13.2089 13.2306 13.2306 13.8740 13.8740 k = 0.2353 0.5000-0.0000 ( 3648 PWs) bands (ev): 0.5991 0.5991 0.5998 0.5998 3.6670 3.6670 3.6742 3.6742 6.9104 6.9104 6.9431 6.9431 7.6869 7.6869 7.7162 7.7162 8.8134 8.8134 8.8322 8.8322 9.2021 9.2021 9.2420 9.2420 10.0494 10.0494 10.0622 10.0623 10.1436 10.1436 10.1544 10.1544 10.4546 10.4546 10.4711 10.4711 10.9150 10.9150 10.9679 10.9679 11.3429 11.3429 11.3599 11.3599 11.7089 11.7090 11.7524 11.7524 12.0645 12.0645 12.0903 12.0904 13.1875 13.1875 13.2101 13.2101 13.9185 13.9186 k = 0.2500 0.5000-0.0000 ( 3656 PWs) bands (ev): 0.6375 0.6375 0.6382 0.6382 3.5866 3.5866 3.5934 3.5934 6.9362 6.9362 6.9685 6.9685 7.7046 7.7046 7.7326 7.7327 8.7849 8.7850 8.8032 8.8032 9.1864 9.1864 9.2245 9.2245 10.0631 10.0631 10.0772 10.0772 10.1569 10.1570 10.1657 10.1657 10.4739 10.4739 10.4908 10.4909 10.9197 10.9197 10.9725 10.9725 11.3213 11.3213 11.3377 11.3377 11.6956 11.6956 11.7385 11.7385 12.0798 12.0798 12.1056 12.1056 13.1641 13.1641 13.1873 13.1873 13.9498 13.9498 k = 0.2647 0.5000-0.0000 ( 3656 PWs) bands (ev): 0.6777 0.6777 0.6784 0.6784 3.5050 3.5050 3.5115 3.5116 6.9646 6.9646 6.9965 6.9965 7.7218 7.7218 7.7484 7.7484 8.7540 8.7540 8.7717 8.7717 9.1714 9.1714 9.2075 9.2076 10.0722 10.0722 10.0894 10.0895 10.1712 10.1713 10.1812 10.1813 10.4948 10.4948 10.5122 10.5122 10.9236 10.9236 10.9760 10.9760 11.2993 11.2993 11.3152 11.3152 11.6825 11.6826 11.7246 11.7246 12.0958 12.0958 12.1215 12.1215 13.1385 13.1386 13.1623 13.1624 13.9658 13.9658 k = 0.2794 0.5000-0.0000 ( 3664 PWs) bands (ev): 0.7194 0.7194 0.7202 0.7202 3.4228 3.4228 3.4290 3.4290 6.9955 6.9955 7.0270 7.0270 7.7384 7.7384 7.7636 7.7636 8.7206 8.7206 8.7375 8.7375 9.1573 9.1573 9.1912 9.1912 10.0773 10.0774 10.0977 10.0977 10.1875 10.1875 10.2006 10.2007 10.5170 10.5170 10.5349 10.5349 10.9262 10.9262 10.9780 10.9780 11.2769 11.2769 11.2924 11.2925 11.6698 11.6698 11.7108 11.7108 12.1123 12.1123 12.1378 12.1378 13.1110 13.1110 13.1352 13.1352 13.9669 13.9669 k = 0.2941 0.5000-0.0000 ( 3668 PWs) bands (ev): 0.7627 0.7627 0.7635 0.7635 3.3405 3.3405 3.3463 3.3463 7.0287 7.0287 7.0596 7.0596 7.7544 7.7544 7.7780 7.7780 8.6845 8.6845 8.7007 8.7007 9.1442 9.1443 9.1758 9.1758 10.0796 10.0796 10.1020 10.1020 10.2065 10.2066 10.2225 10.2225 10.5404 10.5404 10.5587 10.5588 10.9274 10.9274 10.9782 10.9783 11.2543 11.2543 11.2697 11.2697 11.6575 11.6576 11.6973 11.6973 12.1293 12.1293 12.1546 12.1546 13.0815 13.0815 13.1059 13.1059 13.9559 13.9559 k = 0.3088 0.5000-0.0000 ( 3664 PWs) bands (ev): 0.8071 0.8071 0.8080 0.8080 3.2585 3.2585 3.2640 3.2640 7.0639 7.0639 7.0943 7.0943 7.7698 7.7698 7.7919 7.7920 8.6460 8.6460 8.6614 8.6614 9.1323 9.1324 9.1614 9.1614 10.0800 10.0800 10.1032 10.1032 10.2281 10.2281 10.2460 10.2460 10.5648 10.5648 10.5836 10.5836 10.9270 10.9270 10.9765 10.9765 11.2316 11.2317 11.2472 11.2472 11.6459 11.6460 11.6842 11.6842 12.1468 12.1468 12.1718 12.1718 13.0502 13.0502 13.0747 13.0747 13.9368 13.9368 k = 0.3235 0.5000-0.0000 ( 3664 PWs) bands (ev): 0.8525 0.8525 0.8534 0.8534 3.1773 3.1773 3.1825 3.1825 7.1008 7.1009 7.1306 7.1306 7.7847 7.7847 7.8053 7.8054 8.6051 8.6051 8.6198 8.6198 9.1215 9.1216 9.1481 9.1481 10.0790 10.0790 10.1022 10.1022 10.2514 10.2514 10.2704 10.2704 10.5898 10.5898 10.6092 10.6092 10.9247 10.9247 10.9725 10.9725 11.2090 11.2091 11.2251 11.2251 11.6350 11.6351 11.6716 11.6716 12.1646 12.1646 12.1893 12.1893 13.0175 13.0175 13.0419 13.0419 13.9132 13.9133 k = 0.3382 0.5000-0.0000 ( 3672 PWs) bands (ev): 0.8986 0.8986 0.8996 0.8996 3.0976 3.0976 3.1024 3.1024 7.1392 7.1392 7.1682 7.1682 7.7992 7.7992 7.8183 7.8183 8.5621 8.5621 8.5762 8.5762 9.1118 9.1118 9.1359 9.1359 10.0773 10.0773 10.0997 10.0997 10.2757 10.2758 10.2954 10.2954 10.6152 10.6153 10.6351 10.6351 10.9202 10.9203 10.9660 10.9660 11.1867 11.1867 11.2038 11.2038 11.6249 11.6249 11.6594 11.6594 12.1828 12.1828 12.2070 12.2071 12.9836 12.9836 13.0077 13.0077 13.8881 13.8881 k = 0.3529 0.5000-0.0000 ( 3660 PWs) bands (ev): 0.9450 0.9450 0.9460 0.9460 3.0198 3.0198 3.0243 3.0243 7.1785 7.1785 7.2067 7.2067 7.8134 7.8134 7.8310 7.8311 8.5173 8.5173 8.5310 8.5310 9.1032 9.1033 9.1249 9.1249 10.0752 10.0752 10.0964 10.0965 10.3010 10.3010 10.3209 10.3210 10.6409 10.6409 10.6614 10.6614 10.9137 10.9137 10.9571 10.9571 11.1648 11.1648 11.1833 11.1833 11.6157 11.6157 11.6480 11.6480 12.2014 12.2014 12.2251 12.2251 12.9490 12.9490 12.9726 12.9726 13.8632 13.8632 k = 0.3676 0.5000-0.0000 ( 3660 PWs) bands (ev): 0.9913 0.9913 0.9922 0.9922 2.9447 2.9447 2.9488 2.9488 7.2184 7.2184 7.2457 7.2457 7.8274 7.8274 7.8436 7.8437 8.4711 8.4711 8.4843 8.4843 9.0957 9.0958 9.1149 9.1150 10.0729 10.0729 10.0927 10.0927 10.3266 10.3266 10.3465 10.3466 10.6662 10.6663 10.6875 10.6875 10.9049 10.9049 10.9459 10.9459 11.1435 11.1435 11.1637 11.1637 11.6074 11.6075 11.6373 11.6373 12.2201 12.2201 12.2431 12.2431 12.9141 12.9141 12.9371 12.9371 13.8397 13.8397 k = 0.3824 0.5000-0.0000 ( 3652 PWs) bands (ev): 1.0368 1.0368 1.0377 1.0378 2.8729 2.8730 2.8767 2.8767 7.2584 7.2584 7.2844 7.2844 7.8415 7.8415 7.8564 7.8564 8.4239 8.4239 8.4367 8.4367 9.0892 9.0893 9.1061 9.1062 10.0707 10.0708 10.0888 10.0888 10.3523 10.3524 10.3721 10.3721 10.6911 10.6911 10.7132 10.7132 10.8940 10.8940 10.9327 10.9327 11.1230 11.1230 11.1449 11.1449 11.6002 11.6002 11.6274 11.6274 12.2390 12.2391 12.2612 12.2612 12.8796 12.8796 12.9017 12.9017 13.8182 13.8183 k = 0.3971 0.5000-0.0000 ( 3646 PWs) bands (ev): 1.0809 1.0809 1.0818 1.0818 2.8054 2.8054 2.8088 2.8088 7.2977 7.2977 7.3222 7.3222 7.8558 7.8558 7.8694 7.8694 8.3763 8.3763 8.3887 8.3887 9.0837 9.0838 9.0983 9.0984 10.0687 10.0688 10.0849 10.0849 10.3780 10.3780 10.3972 10.3972 10.7148 10.7148 10.7381 10.7381 10.8814 10.8814 10.9183 10.9183 11.1035 11.1035 11.1270 11.1270 11.5940 11.5941 11.6183 11.6183 12.2579 12.2579 12.2790 12.2790 12.8461 12.8461 12.8670 12.8671 13.7993 13.7993 k = 0.4118 0.5000-0.0000 ( 3650 PWs) bands (ev): 1.1227 1.1227 1.1236 1.1236 2.7431 2.7431 2.7461 2.7461 7.3355 7.3355 7.3582 7.3582 7.8708 7.8708 7.8832 7.8832 8.3288 8.3288 8.3408 8.3408 9.0791 9.0791 9.0915 9.0916 10.0670 10.0670 10.0811 10.0811 10.4031 10.4031 10.4215 10.4215 10.7366 10.7366 10.7615 10.7615 10.8678 10.8678 10.9036 10.9037 11.0851 11.0851 11.1095 11.1095 11.5889 11.5889 11.6101 11.6101 12.2764 12.2764 12.2961 12.2961 12.8143 12.8143 12.8338 12.8339 13.7829 13.7830 k = 0.4265 0.5000-0.0000 ( 3654 PWs) bands (ev): 1.1613 1.1613 1.1621 1.1621 2.6870 2.6870 2.6896 2.6896 7.3710 7.3710 7.3914 7.3914 7.8867 7.8867 7.8979 7.8979 8.2824 8.2824 8.2937 8.2937 9.0754 9.0755 9.0857 9.0857 10.0656 10.0656 10.0775 10.0775 10.4273 10.4273 10.4444 10.4444 10.7552 10.7552 10.7825 10.7825 10.8544 10.8544 10.8906 10.8906 11.0680 11.0680 11.0926 11.0926 11.5849 11.5849 11.6028 11.6028 12.2943 12.2943 12.3123 12.3123 12.7850 12.7850 12.8027 12.8027 13.7693 13.7693 k = 0.4412 0.5000-0.0000 ( 3648 PWs) bands (ev): 1.1954 1.1954 1.1962 1.1962 2.6385 2.6385 2.6406 2.6406 7.4030 7.4030 7.4205 7.4205 7.9039 7.9039 7.9137 7.9137 8.2381 8.2381 8.2485 8.2485 9.0726 9.0727 9.0808 9.0808 10.0647 10.0648 10.0743 10.0744 10.4499 10.4499 10.4652 10.4653 10.7688 10.7688 10.7984 10.7984 10.8442 10.8442 10.8814 10.8814 11.0526 11.0526 11.0762 11.0762 11.5820 11.5820 11.5965 11.5965 12.3112 12.3112 12.3269 12.3269 12.7592 12.7593 12.7746 12.7747 13.7583 13.7584 k = 0.4559 0.5000-0.0000 ( 3652 PWs) bands (ev): 1.2239 1.2240 1.2245 1.2245 2.5989 2.5989 2.6005 2.6005 7.4303 7.4303 7.4442 7.4443 7.9220 7.9220 7.9304 7.9304 8.1974 8.1974 8.2065 8.2066 9.0707 9.0707 9.0768 9.0768 10.0643 10.0643 10.0715 10.0715 10.4701 10.4701 10.4829 10.4829 10.7759 10.7759 10.8026 10.8026 10.8442 10.8443 10.8775 10.8776 11.0397 11.0397 11.0607 11.0607 11.5801 11.5801 11.5911 11.5911 12.3263 12.3263 12.3391 12.3391 12.7379 12.7380 12.7504 12.7505 13.7500 13.7501 k = 0.4706 0.5000-0.0000 ( 3652 PWs) bands (ev): 1.2455 1.2455 1.2460 1.2460 2.5694 2.5694 2.5705 2.5705 7.4517 7.4518 7.4615 7.4615 7.9402 7.9402 7.9468 7.9468 8.1629 8.1629 8.1701 8.1701 9.0696 9.0697 9.0736 9.0737 10.0643 10.0643 10.0691 10.0692 10.4868 10.4868 10.4962 10.4962 10.7778 10.7779 10.7959 10.7959 10.8544 10.8544 10.8777 10.8778 11.0303 11.0304 11.0466 11.0467 11.5793 11.5794 11.5867 11.5867 12.3389 12.3389 12.3480 12.3481 12.7223 12.7224 12.7312 12.7313 13.7444 13.7444 k = 0.4853 0.5000-0.0000 ( 3652 PWs) bands (ev): 1.2591 1.2591 1.2593 1.2593 2.5513 2.5513 2.5519 2.5519 7.4662 7.4662 7.4712 7.4712 7.9557 7.9558 7.9596 7.9596 8.1388 8.1388 8.1431 8.1431 9.0694 9.0694 9.0714 9.0714 10.0647 10.0648 10.0672 10.0672 10.4987 10.4988 10.5037 10.5038 10.7785 10.7785 10.7874 10.7874 10.8657 10.8658 10.8777 10.8778 11.0261 11.0261 11.0352 11.0352 11.5796 11.5797 11.5833 11.5834 12.3481 12.3481 12.3528 12.3529 12.7134 12.7135 12.7181 12.7181 13.7413 13.7414 k = 0.5000 0.5000-0.0000 ( 3628 PWs) bands (ev): 1.2637 1.2637 1.2638 1.2638 2.5454 2.5454 2.5454 2.5454 7.4728 7.4728 7.4728 7.4728 7.9635 7.9635 7.9635 7.9635 8.1313 8.1313 8.1313 8.1313 9.0700 9.0700 9.0701 9.0701 10.0658 10.0658 10.0658 10.0658 10.5047 10.5047 10.5048 10.5048 10.7814 10.7814 10.7814 10.7814 10.8741 10.8741 10.8742 10.8742 11.0280 11.0280 11.0281 11.0281 11.5810 11.5810 11.5811 11.5811 12.3529 12.3529 12.3530 12.3530 12.7120 12.7120 12.7121 12.7121 13.7409 13.7409 k = 0.5000 0.5000-0.0000 ( 3628 PWs) bands (ev): 1.2637 1.2637 1.2638 1.2638 2.5454 2.5454 2.5454 2.5454 7.4728 7.4728 7.4728 7.4728 7.9635 7.9635 7.9635 7.9635 8.1313 8.1313 8.1313 8.1313 9.0700 9.0700 9.0701 9.0701 10.0658 10.0658 10.0658 10.0658 10.5047 10.5047 10.5048 10.5048 10.7814 10.7814 10.7814 10.7814 10.8741 10.8741 10.8742 10.8742 11.0280 11.0280 11.0281 11.0281 11.5810 11.5810 11.5811 11.5811 12.3529 12.3529 12.3530 12.3530 12.7120 12.7120 12.7121 12.7121 13.7409 13.7409 k = 0.4896 0.4896-0.0000 ( 3652 PWs) bands (ev): 1.2534 1.2535 1.2649 1.2649 2.5463 2.5464 2.5567 2.5569 7.4643 7.4670 7.4736 7.4741 7.9378 7.9409 7.9628 7.9636 8.1359 8.1397 8.1531 8.1577 9.0695 9.0699 9.0700 9.0724 10.0636 10.0656 10.0659 10.0668 10.5002 10.5012 10.5038 10.5052 10.7717 10.7780 10.7818 10.7873 10.8628 10.8695 10.8786 10.8873 11.0222 11.0272 11.0318 11.0388 11.5796 11.5798 11.5829 11.5834 12.3454 12.3511 12.3516 12.3531 12.7112 12.7131 12.7165 12.7204 13.7405 13.7413 k = 0.4792 0.4792-0.0000 ( 3652 PWs) bands (ev): 1.2235 1.2237 1.2684 1.2684 2.5493 2.5495 2.5898 2.5903 7.4439 7.4492 7.4747 7.4757 7.8891 7.8930 7.9576 7.9588 8.1556 8.1628 8.2019 8.2091 9.0686 9.0696 9.0721 9.0771 10.0601 10.0649 10.0659 10.0680 10.4914 10.4939 10.4988 10.5026 10.7591 10.7719 10.7775 10.7910 10.8529 10.8639 10.8858 10.9027 11.0215 11.0297 11.0394 11.0539 11.5793 11.5795 11.5857 11.5869 12.3309 12.3424 12.3483 12.3505 12.7124 12.7159 12.7316 12.7388 13.7401 13.7417 k = 0.4688 0.4687-0.0000 ( 3652 PWs) bands (ev): 1.1769 1.1771 1.2743 1.2743 2.5544 2.5546 2.6419 2.6426 7.4131 7.4204 7.4763 7.4780 7.8328 7.8365 7.9520 7.9541 8.1850 8.1946 8.2608 8.2692 9.0673 9.0688 9.0766 9.0840 10.0552 10.0624 10.0666 10.0696 10.4786 10.4826 10.4906 10.4970 10.7445 10.7616 10.7678 10.7910 10.8457 10.8589 10.8973 10.9198 11.0242 11.0350 11.0509 11.0716 11.5800 11.5802 11.5893 11.5915 12.3112 12.3269 12.3431 12.3462 12.7149 12.7201 12.7565 12.7656 13.7397 13.7422 k = 0.4583 0.4583-0.0000 ( 3650 PWs) bands (ev): 1.1171 1.1173 1.2825 1.2825 2.5614 2.5618 2.7094 2.7103 7.3738 7.3827 7.4782 7.4806 7.7746 7.7780 7.9480 7.9512 8.2202 8.2315 8.3234 8.3325 9.0656 9.0676 9.0836 9.0934 10.0489 10.0584 10.0677 10.0716 10.4627 10.4678 10.4798 10.4888 10.7287 10.7471 10.7536 10.7834 10.8437 10.8577 10.9121 10.9377 11.0291 11.0423 11.0657 11.0907 11.5814 11.5822 11.5936 11.5971 12.2883 12.3067 12.3364 12.3403 12.7187 12.7257 12.7891 12.7987 13.7394 13.7426 k = 0.4479 0.4479-0.0000 ( 3646 PWs) bands (ev): 1.0473 1.0476 1.2930 1.2931 2.5704 2.5709 2.7888 2.7899 7.3283 7.3382 7.4792 7.4827 7.7168 7.7204 7.9461 7.9507 8.2585 8.2710 8.3874 8.3970 9.0636 9.0662 9.0930 9.1051 10.0414 10.0529 10.0692 10.0739 10.4446 10.4504 10.4668 10.4781 10.7121 10.7279 10.7373 10.7673 10.8469 10.8611 10.9289 10.9558 11.0354 11.0513 11.0830 11.1106 11.5836 11.5854 11.5986 11.6038 12.2634 12.2836 12.3283 12.3330 12.7237 12.7327 12.8276 12.8364 13.7391 13.7431 k = 0.4375 0.4375-0.0000 ( 3644 PWs) bands (ev): 0.9705 0.9708 1.3058 1.3059 2.5814 2.5820 2.8773 2.8786 7.2784 7.2891 7.4776 7.4825 7.6619 7.6666 7.9464 7.9524 8.2980 8.3113 8.4516 8.4615 9.0611 9.0645 9.1050 9.1192 10.0326 10.0460 10.0710 10.0765 10.4251 10.4313 10.4519 10.4654 10.6948 10.7044 10.7207 10.7460 10.8524 10.8677 10.9469 10.9737 11.0426 11.0619 11.1021 11.1308 11.5867 11.5899 11.6043 11.6116 12.2376 12.2588 12.3191 12.3246 12.7299 12.7409 12.8701 12.8774 13.7388 13.7435 k = 0.4271 0.4271-0.0000 ( 3642 PWs) bands (ev): 0.8889 0.8892 1.3210 1.3211 2.5944 2.5950 2.9725 2.9739 7.2258 7.2370 7.4690 7.4755 7.6147 7.6210 7.9488 7.9563 8.3373 8.3513 8.5154 8.5253 9.0584 9.0626 9.1196 9.1357 10.0228 10.0377 10.0730 10.0792 10.4049 10.4109 10.4352 10.4508 10.6757 10.6794 10.7033 10.7230 10.8578 10.8759 10.9654 10.9909 11.0505 11.0741 11.1223 11.1512 11.5905 11.5957 11.6106 11.6205 12.2116 12.2331 12.3091 12.3153 12.7372 12.7504 12.9156 12.9208 13.7386 13.7439 k = 0.4167 0.4167-0.0000 ( 3652 PWs) bands (ev): 0.8040 0.8043 1.3385 1.3386 2.6092 2.6099 3.0724 3.0740 7.1717 7.1832 7.4468 7.4537 7.5833 7.5904 7.9531 7.9620 8.3754 8.3900 8.5779 8.5878 9.0555 9.0607 9.1370 9.1547 10.0120 10.0283 10.0750 10.0819 10.3845 10.3901 10.4172 10.4347 10.6493 10.6585 10.6842 10.7013 10.8620 10.8841 10.9840 11.0067 11.0595 11.0881 11.1432 11.1715 11.5950 11.6027 11.6175 11.6304 12.1855 12.2071 12.2985 12.3055 12.7456 12.7610 12.9629 12.9655 13.7384 13.7443 k = 0.4062 0.4062-0.0000 ( 3664 PWs) bands (ev): 0.7172 0.7175 1.3583 1.3584 2.6258 2.6267 3.1757 3.1775 7.1171 7.1289 7.4084 7.4140 7.5711 7.5773 7.9590 7.9694 8.4116 8.4270 8.6385 8.6482 9.0525 9.0590 9.1572 9.1762 10.0005 10.0178 10.0770 10.0843 10.3642 10.3692 10.3980 10.4175 10.6202 10.6367 10.6637 10.6829 10.8643 10.8910 11.0025 11.0211 11.0697 11.1037 11.1646 11.1918 11.6002 11.6110 11.6248 11.6413 12.1598 12.1811 12.2875 12.2952 12.7550 12.7728 13.0099 13.0120 13.7382 13.7448 k = 0.3958 0.3958-0.0000 ( 3664 PWs) bands (ev): 0.6295 0.6297 1.3803 1.3805 2.6443 2.6452 3.2812 3.2832 7.0629 7.0750 7.3597 7.3636 7.5710 7.5758 7.9664 7.9783 8.4453 8.4618 8.6967 8.7060 9.0497 9.0576 9.1805 9.2003 9.9884 10.0065 10.0788 10.0865 10.3442 10.3487 10.3780 10.3995 10.5901 10.6116 10.6447 10.6669 10.8642 10.8956 11.0209 11.0343 11.0817 11.1206 11.1864 11.2121 11.6060 11.6206 11.6327 11.6533 12.1348 12.1555 12.2765 12.2850 12.7652 12.7856 13.0550 13.0605 13.7382 13.7453 k = 0.3854 0.3854-0.0000 ( 3660 PWs) bands (ev): 0.5414 0.5416 1.4047 1.4048 2.6645 2.6655 3.3878 3.3900 7.0099 7.0222 7.3063 7.3090 7.5763 7.5802 7.9753 7.9886 8.4761 8.4940 8.7518 8.7606 9.0473 9.0569 9.2068 9.2269 9.9761 9.9946 10.0801 10.0881 10.3245 10.3287 10.3577 10.3811 10.5596 10.5837 10.6279 10.6526 10.8615 10.8969 11.0392 11.0468 11.0954 11.1383 11.2084 11.2326 11.6124 11.6315 11.6410 11.6663 12.1105 12.1305 12.2657 12.2749 12.7763 12.7994 13.0987 13.1085 13.7384 13.7462 k = 0.3750 0.3750-0.0000 ( 3652 PWs) bands (ev): 0.4535 0.4537 1.4313 1.4315 2.6864 2.6875 3.4946 3.4971 6.9585 6.9711 7.2511 7.2536 7.5842 7.5875 7.9856 8.0002 8.5035 8.5232 8.8029 8.8114 9.0457 9.0574 9.2360 9.2558 9.9637 9.9825 10.0808 10.0888 10.3051 10.3093 10.3375 10.3625 10.5287 10.5543 10.6133 10.6397 10.8559 10.8941 11.0574 11.0594 11.1106 11.1566 11.2306 11.2531 11.6194 11.6433 11.6498 11.6802 12.0871 12.1062 12.2553 12.2651 12.7882 12.8140 13.1403 13.1550 13.7390 13.7476 k = 0.3646 0.3646-0.0000 ( 3662 PWs) bands (ev): 0.3663 0.3665 1.4601 1.4603 2.7099 2.7111 3.6009 3.6036 6.9095 6.9225 7.1953 7.1986 7.5931 7.5961 7.9971 8.0130 8.5270 8.5491 8.8495 8.8579 9.0456 9.0593 9.2679 9.2867 9.9516 9.9704 10.0803 10.0883 10.2859 10.2899 10.3179 10.3440 10.4978 10.5240 10.6003 10.6279 10.8472 10.8871 11.0724 11.0756 11.1268 11.1750 11.2528 11.2736 11.6267 11.6550 11.6599 11.6947 12.0646 12.0828 12.2453 12.2559 12.8006 12.8295 13.1787 13.1988 13.7401 13.7499 k = 0.3542 0.3542-0.0000 ( 3666 PWs) bands (ev): 0.2801 0.2803 1.4912 1.4914 2.7350 2.7362 3.7057 3.7087 6.8634 6.8768 7.1402 7.1446 7.6023 7.6052 8.0098 8.0271 8.5465 8.5715 8.8907 8.8994 9.0479 9.0635 9.3020 9.3195 9.9400 9.9586 10.0784 10.0862 10.2669 10.2707 10.2995 10.3260 10.4670 10.4935 10.5890 10.6176 10.8355 10.8758 11.0864 11.0938 11.1436 11.1933 11.2750 11.2943 11.6345 11.6653 11.6726 11.7100 12.0432 12.0606 12.2361 12.2475 12.8134 12.8455 13.2130 13.2389 13.7420 13.7537 k = 0.3438 0.3437-0.0000 ( 3670 PWs) bands (ev): 0.1952 0.1954 1.5244 1.5247 2.7614 2.7628 3.8083 3.8116 6.8208 6.8346 7.0862 7.0921 7.6113 7.6141 8.0237 8.0423 8.5619 8.5900 8.9259 8.9346 9.0540 9.0707 9.3378 9.3536 9.9292 9.9476 10.0748 10.0823 10.2480 10.2516 10.2824 10.3086 10.4367 10.4633 10.5796 10.6089 10.8208 10.8606 11.1013 11.1121 11.1607 11.2114 11.2972 11.3151 11.6425 11.6747 11.6871 11.7257 12.0230 12.0397 12.2277 12.2399 12.8265 12.8620 13.2421 13.2743 13.7453 13.7594 k = 0.3333 0.3333-0.0000 ( 3662 PWs) bands (ev): 0.1117 0.1119 1.5599 1.5602 2.7892 2.7907 3.9079 3.9115 6.7822 6.7966 7.0340 7.0415 7.6196 7.6226 8.0388 8.0585 8.5729 8.6044 8.9548 8.9625 9.0655 9.0816 9.3745 9.3885 9.9195 9.9375 10.0689 10.0762 10.2293 10.2334 10.2665 10.2917 10.4072 10.4336 10.5721 10.6018 10.8036 10.8418 11.1168 11.1305 11.1779 11.2292 11.3194 11.3362 11.6508 11.6839 11.7025 11.7419 12.0043 12.0204 12.2203 12.2333 12.8396 12.8788 13.2651 13.3036 13.7506 13.7677 k = 0.3229 0.3229-0.0000 ( 3670 PWs) bands (ev): 0.0299 0.0301 1.5975 1.5978 2.8183 2.8199 4.0035 4.0074 6.7481 6.7632 6.9838 6.9932 7.6267 7.6299 8.0548 8.0756 8.5796 8.6147 8.9770 8.9834 9.0825 9.0964 9.4114 9.4236 9.9111 9.9285 10.0605 10.0674 10.2112 10.2164 10.2510 10.2749 10.3787 10.4046 10.5665 10.5964 10.7839 10.8197 11.1329 11.1489 11.1951 11.2464 11.3414 11.3573 11.6592 11.6929 11.7184 11.7582 11.9872 12.0029 12.2140 12.2278 12.8523 12.8953 13.2813 13.3258 13.7584 13.7790 k = 0.3125 0.3125-0.0000 ( 3662 PWs) bands (ev): -0.0500 -0.0499 1.6372 1.6375 2.8485 2.8502 4.0942 4.0985 6.7190 6.7349 6.9362 6.9479 7.6324 7.6358 8.0717 8.0936 8.5823 8.6208 8.9927 9.0002 9.1032 9.1146 9.4476 9.4586 9.9041 9.9210 10.0492 10.0557 10.1945 10.2009 10.2356 10.2580 10.3520 10.3768 10.5629 10.5926 10.7623 10.7950 11.1493 11.1673 11.2121 11.2632 11.3635 11.3786 11.6678 11.7019 11.7346 11.7744 11.9719 11.9878 12.2089 12.2236 12.8642 12.9112 13.2905 13.3405 13.7691 13.7934 k = 0.3021 0.3021-0.0000 ( 3660 PWs) bands (ev): -0.1281 -0.1280 1.6790 1.6794 2.8797 2.8815 4.1792 4.1837 6.6951 6.7119 6.8920 6.9063 7.6362 7.6400 8.0893 8.1122 8.5812 8.6227 9.0045 9.0146 9.1247 9.1348 9.4826 9.4928 9.8986 9.9148 10.0351 10.0410 10.1797 10.1867 10.2198 10.2403 10.3274 10.3505 10.5607 10.5901 10.7393 10.7681 11.1659 11.1855 11.2289 11.2795 11.3854 11.4001 11.6763 11.7108 11.7509 11.7901 11.9586 11.9751 12.2052 12.2207 12.8747 12.9259 13.2934 13.3477 13.7826 13.8106 k = 0.2917 0.2917-0.0000 ( 3658 PWs) bands (ev): -0.2041 -0.2040 1.7229 1.7233 2.9118 2.9136 4.2574 4.2622 6.6762 6.6941 6.8520 6.8697 7.6380 7.6421 8.1074 8.1312 8.5767 8.6209 9.0150 9.0275 9.1456 9.1557 9.5159 9.5258 9.8945 9.9100 10.0184 10.0234 10.1667 10.1740 10.2033 10.2217 10.3053 10.3258 10.5596 10.5882 10.7155 10.7396 11.1825 11.2037 11.2455 11.2953 11.4074 11.4217 11.6848 11.7195 11.7667 11.8050 11.9478 11.9653 12.2030 12.2191 12.8830 12.9384 13.2913 13.3487 13.7979 13.8295 k = 0.2812 0.2812-0.0000 ( 3670 PWs) bands (ev): -0.2780 -0.2779 1.7689 1.7693 2.9446 2.9466 4.3279 4.3329 6.6615 6.6806 6.8183 6.8398 7.6375 7.6417 8.1257 8.1503 8.5692 8.6155 9.0252 9.0395 9.1651 9.1758 9.5471 9.5571 9.8914 9.9061 9.9996 10.0033 10.1549 10.1623 10.1861 10.2025 10.2857 10.3030 10.5582 10.5858 10.6922 10.7107 11.1992 11.2217 11.2618 11.3105 11.4292 11.4434 11.6932 11.7279 11.7818 11.8184 11.9396 11.9589 12.2023 12.2191 12.8883 12.9473 13.2862 13.3453 13.8130 13.8483 k = 0.2708 0.2708-0.0000 ( 3660 PWs) bands (ev): -0.3496 -0.3495 1.8168 1.8172 2.9780 2.9801 4.3899 4.3951 6.6492 6.6687 6.7942 6.8195 7.6343 7.6387 8.1439 8.1693 8.5593 8.6073 9.0358 9.0511 9.1831 9.1945 9.5761 9.5865 9.8890 9.9028 9.9795 9.9818 10.1425 10.1512 10.1691 10.1844 10.2687 10.2822 10.5546 10.5811 10.6710 10.6838 11.2161 11.2397 11.2778 11.3254 11.4511 11.4653 11.7016 11.7363 11.7957 11.8299 11.9347 11.9564 12.2034 12.2206 12.8895 12.9513 13.2810 13.3400 13.8247 13.8633 k = 0.2604 0.2604-0.0000 ( 3662 PWs) bands (ev): -0.4189 -0.4189 1.8667 1.8672 3.0119 3.0140 4.4426 4.4479 6.6364 6.6547 6.7843 6.8120 7.6284 7.6328 8.1615 8.1874 8.5476 8.5967 9.0469 9.0624 9.1995 9.2114 9.6028 9.6139 9.8861 9.8988 9.9591 9.9600 10.1273 10.1380 10.1547 10.1697 10.2535 10.2633 10.5457 10.5717 10.6517 10.6643 11.2330 11.2576 11.2936 11.3397 11.4729 11.4873 11.7097 11.7443 11.8078 11.8389 11.9333 11.9578 12.2061 12.2237 12.8855 12.9488 13.2782 13.3352 13.8282 13.8682 k = 0.2500 0.2500-0.0000 ( 3650 PWs) bands (ev): -0.4859 -0.4859 1.9185 1.9190 3.0460 3.0482 4.4856 4.4909 6.6215 6.6367 6.7913 6.8194 7.6197 7.6241 8.1781 8.2042 8.5348 8.5844 9.0584 9.0737 9.2142 9.2265 9.6274 9.6390 9.8813 9.8922 9.9402 9.9402 10.1088 10.1202 10.1453 10.1595 10.2398 10.2461 10.5292 10.5552 10.6367 10.6548 11.2502 11.2757 11.3092 11.3537 11.4947 11.5093 11.7177 11.7520 11.8178 11.8456 11.9356 11.9630 12.2106 12.2283 12.8757 12.9387 13.2801 13.3334 13.8184 13.8557 k = 0.2396 0.2396-0.0000 ( 3660 PWs) bands (ev): -0.5505 -0.5504 1.9722 1.9727 3.0802 3.0825 4.5186 4.5238 6.6046 6.6160 6.8140 6.8415 7.6081 7.6122 8.1927 8.2186 8.5218 8.5711 9.0702 9.0849 9.2273 9.2397 9.6496 9.6617 9.8716 9.8796 9.9253 9.9257 10.0881 10.1000 10.1388 10.1528 10.2269 10.2304 10.5060 10.5310 10.6289 10.6512 11.2677 11.2938 11.3244 11.3672 11.5164 11.5313 11.7253 11.7593 11.8254 11.8505 11.9411 11.9711 12.2167 12.2343 12.8598 12.9211 13.2878 13.3358 13.7932 13.8249 k = 0.2292 0.2292-0.0000 ( 3681 PWs) bands (ev): -0.6126 -0.6126 2.0277 2.0283 3.1144 3.1168 4.5415 4.5464 6.5873 6.5954 6.8500 6.8768 7.5936 7.5974 8.2043 8.2292 8.5096 8.5577 9.0823 9.0960 9.2388 9.2512 9.6694 9.6820 9.8555 9.8602 9.9160 9.9173 10.0666 10.0792 10.1335 10.1482 10.2131 10.2174 10.4792 10.5026 10.6265 10.6503 11.2854 11.3124 11.3394 11.3804 11.5379 11.5533 11.7326 11.7662 11.8310 11.8542 11.9492 11.9813 12.2243 12.2415 12.8383 12.8968 13.3011 13.3433 13.7563 13.7830 k = 0.2188 0.2187-0.0000 ( 3681 PWs) bands (ev): -0.6722 -0.6722 2.0849 2.0856 3.1483 3.1507 4.5546 4.5592 6.5711 6.5767 6.8970 6.9235 7.5764 7.5798 8.2119 8.2348 8.4999 8.5456 9.0946 9.1072 9.2489 9.2612 9.6865 9.6996 9.8350 9.8373 9.9105 9.9122 10.0454 10.0589 10.1287 10.1447 10.1984 10.2067 10.4511 10.4731 10.6262 10.6502 11.3037 11.3313 11.3542 11.3935 11.5594 11.5751 11.7397 11.7728 11.8349 11.8573 11.9594 11.9928 12.2331 12.2498 12.8122 12.8677 13.3192 13.3559 13.7134 13.7369 k = 0.2083 0.2083-0.0000 ( 3675 PWs) bands (ev): -0.7292 -0.7292 2.1439 2.1446 3.1818 3.1843 4.5583 4.5626 6.5569 6.5611 6.9535 6.9799 7.5567 7.5596 8.2139 8.2334 8.4939 8.5358 9.1072 9.1185 9.2576 9.2699 9.7002 9.7136 9.8132 9.8137 9.9060 9.9084 10.0250 10.0392 10.1234 10.1414 10.1840 10.1973 10.4236 10.4450 10.6263 10.6498 11.3223 11.3507 11.3689 11.4066 11.5806 11.5967 11.7466 11.7792 11.8376 11.8601 11.9707 12.0050 12.2428 12.2588 12.7825 12.8352 13.3410 13.3731 13.6693 13.6912 k = 0.1979 0.1979-0.0000 ( 3679 PWs) bands (ev): -0.7837 -0.7837 2.2046 2.2053 3.2147 3.2173 4.5533 4.5571 6.5455 6.5494 7.0180 7.0445 7.5348 7.5370 8.2086 8.2240 8.4928 8.5299 9.1198 9.1298 9.2652 9.2771 9.7091 9.7221 9.7912 9.7933 9.9013 9.9050 10.0056 10.0203 10.1168 10.1360 10.1712 10.1891 10.3981 10.4196 10.6258 10.6483 11.3411 11.3705 11.3835 11.4197 11.6014 11.6178 11.7530 11.7850 11.8395 11.8626 11.9826 12.0172 12.2528 12.2680 12.7506 12.8007 13.3654 13.3941 13.6276 13.6491 k = 0.1875 0.1875-0.0000 ( 3675 PWs) bands (ev): -0.8355 -0.8355 2.2668 2.2676 3.2468 3.2494 4.5402 4.5435 6.5374 6.5419 7.0891 7.1161 7.5110 7.5125 8.1948 8.2062 8.4969 8.5286 9.1323 9.1412 9.2715 9.2831 9.7103 9.7213 9.7731 9.7794 9.8963 9.9018 9.9876 10.0023 10.1076 10.1250 10.1634 10.1826 10.3762 10.3980 10.6242 10.6455 11.3601 11.3903 11.3983 11.4330 11.6218 11.6384 11.7592 11.7904 11.8407 11.8646 11.9949 12.0295 12.2625 12.2768 12.7174 12.7653 13.3910 13.4179 13.5910 13.6132 k = 0.1771 0.1771-0.0000 ( 3675 PWs) bands (ev): -0.8847 -0.8847 2.3306 2.3314 3.2780 3.2806 4.5198 4.5226 6.5333 6.5386 7.1653 7.1933 7.4855 7.4871 8.1718 8.1812 8.5053 8.5323 9.1446 9.1526 9.2767 9.2877 9.7006 9.7089 9.7620 9.7730 9.8913 9.8986 9.9711 9.9854 10.0949 10.1074 10.1614 10.1784 10.3586 10.3807 10.6211 10.6410 11.3791 11.4083 11.4149 11.4468 11.6415 11.6582 11.7651 11.7954 11.8412 11.8661 12.0071 12.0416 12.2713 12.2847 12.6836 12.7297 13.4162 13.4428 13.5622 13.5863 k = 0.1667 0.1667-0.0000 ( 3687 PWs) bands (ev): -0.9312 -0.9312 2.3958 2.3967 3.3081 3.3106 4.4927 4.4951 6.5335 6.5398 7.2446 7.2747 7.4588 7.4625 8.1399 8.1500 8.5171 8.5404 9.1564 9.1639 9.2807 9.2910 9.6826 9.6892 9.7554 9.7688 9.8871 9.8957 9.9561 9.9694 10.0783 10.0859 10.1631 10.1768 10.3457 10.3676 10.6164 10.6347 11.3976 11.4232 11.4346 11.4610 11.6604 11.6769 11.7706 11.7999 11.8408 11.8668 12.0194 12.0537 12.2787 12.2912 12.6501 12.6946 13.4385 13.4657 13.5452 13.5717 k = 0.1562 0.1562-0.0000 ( 3687 PWs) bands (ev): -0.9750 -0.9750 2.4623 2.4633 3.3369 3.3394 4.4597 4.4617 6.5382 6.5454 7.3215 7.3571 7.4335 7.4430 8.1008 8.1130 8.5313 8.5520 9.1674 9.1751 9.2834 9.2928 9.6614 9.6669 9.7482 9.7614 9.8842 9.8934 9.9428 9.9545 10.0583 10.0633 10.1671 10.1780 10.3373 10.3584 10.6101 10.6268 11.4156 11.4368 11.4553 11.4761 11.6783 11.6946 11.7758 11.8038 11.8396 11.8665 12.0317 12.0658 12.2843 12.2960 12.6172 12.6605 13.4553 13.4804 13.5465 13.5726 k = 0.1458 0.1458-0.0000 ( 3695 PWs) bands (ev): -1.0161 -1.0160 2.5302 2.5312 3.3642 3.3667 4.4214 4.4231 6.5476 6.5557 7.3665 7.3920 7.4537 7.4615 8.0564 8.0709 8.5471 8.5662 9.1770 9.1858 9.2845 9.2933 9.6393 9.6441 9.7373 9.7486 9.8830 9.8919 9.9310 9.9407 10.0361 10.0414 10.1730 10.1815 10.3327 10.3527 10.6021 10.6170 11.4328 11.4499 11.4761 11.4919 11.6951 11.7108 11.7806 11.8071 11.8375 11.8649 12.0441 12.0781 12.2880 12.2988 12.5854 12.6274 13.4668 13.4865 13.5663 13.5888 k = 0.1354 0.1354-0.0000 ( 3697 PWs) bands (ev): -1.0544 -1.0544 2.5993 2.6004 3.3901 3.3925 4.3782 4.3797 6.5617 6.5707 7.3563 7.3673 7.5258 7.5446 8.0082 8.0251 8.5639 8.5819 9.1850 9.1956 9.2837 9.2924 9.6177 9.6220 9.7222 9.7303 9.8829 9.8910 9.9207 9.9280 10.0139 10.0206 10.1804 10.1872 10.3311 10.3497 10.5925 10.6057 11.4492 11.4628 11.4966 11.5083 11.7105 11.7255 11.7851 11.8096 11.8345 11.8620 12.0567 12.0906 12.2897 12.2998 12.5547 12.5957 13.4776 13.4929 13.5954 13.6153 k = 0.1250 0.1250-0.0000 ( 3689 PWs) bands (ev): -1.0899 -1.0899 2.6695 2.6706 3.4143 3.4166 4.3308 4.3322 6.5806 6.5903 7.3326 7.3396 7.6076 7.6330 7.9581 7.9783 8.5814 8.5986 9.1907 9.2035 9.2808 9.2903 9.5970 9.6013 9.7028 9.7073 9.8835 9.8905 9.9118 9.9167 9.9932 10.0011 10.1892 10.1947 10.3317 10.3488 10.5814 10.5928 11.4647 11.4758 11.5167 11.5252 11.7242 11.7383 11.7894 11.8109 11.8311 11.8577 12.0696 12.1035 12.2899 12.2992 12.5255 12.5654 13.4918 13.5047 13.6285 13.6470 k = 0.1146 0.1146-0.0000 ( 3695 PWs) bands (ev): -1.1227 -1.1227 2.7407 2.7419 3.4367 3.4390 4.2796 4.2810 6.6043 6.6147 7.3069 7.3120 7.6828 7.7160 7.9119 7.9375 8.5991 8.6157 9.1930 9.2080 9.2759 9.2872 9.5775 9.5826 9.6786 9.6824 9.8841 9.8897 9.9043 9.9067 9.9746 9.9833 10.1993 10.2039 10.3340 10.3496 10.5688 10.5784 11.4792 11.4891 11.5359 11.5420 11.7357 11.7490 11.7933 11.8104 11.8281 11.8519 12.0828 12.1167 12.2887 12.2973 12.4976 12.5364 13.5111 13.5226 13.6631 13.6811 k = 0.1042 0.1042-0.0000 ( 3699 PWs) bands (ev): -1.1526 -1.1526 2.8128 2.8141 3.4573 3.4595 4.2249 4.2264 6.6326 6.6436 7.2814 7.2855 7.7271 7.7656 7.8971 7.9252 8.6167 8.6326 9.1903 9.2071 9.2707 9.2831 9.5597 9.5661 9.6504 9.6578 9.8840 9.8884 9.8979 9.8987 9.9580 9.9673 10.2106 10.2147 10.3374 10.3516 10.5549 10.5628 11.4927 11.5031 11.5541 11.5585 11.7441 11.7575 11.7970 11.8080 11.8265 11.8452 12.0964 12.1305 12.2868 12.2947 12.4712 12.5089 13.5359 13.5465 13.6985 13.7160 k = 0.0938 0.0937-0.0000 ( 3705 PWs) bands (ev): -1.1798 -1.1798 2.8856 2.8870 3.4761 3.4781 4.1671 4.1687 6.6656 6.6771 7.2571 7.2604 7.7136 7.7414 7.9537 7.9685 8.6340 8.6492 9.1806 9.1978 9.2668 9.2788 9.5442 9.5521 9.6217 9.6330 9.8829 9.8860 9.8917 9.8944 9.9435 9.9533 10.2230 10.2268 10.3415 10.3543 10.5397 10.5460 11.5056 11.5176 11.5710 11.5744 11.7479 11.7637 11.8004 11.8047 11.8259 11.8382 12.1104 12.1447 12.2845 12.2918 12.4462 12.4827 13.5656 13.5755 13.7337 13.7507 k = 0.0833 0.0833-0.0000 ( 3705 PWs) bands (ev): -1.2041 -1.2041 2.9592 2.9607 3.4929 3.4947 4.1066 4.1084 6.7029 6.7149 7.2343 7.2370 7.6651 7.6864 8.0381 8.0451 8.6507 8.6650 9.1619 9.1786 9.2648 9.2750 9.5313 9.5406 9.5947 9.6090 9.8806 9.8819 9.8884 9.8916 9.9310 9.9410 10.2364 10.2402 10.3462 10.3575 10.5235 10.5283 11.5182 11.5326 11.5862 11.5897 11.7461 11.7666 11.8026 11.8037 11.8256 11.8324 12.1248 12.1594 12.2821 12.2889 12.4226 12.4579 13.5995 13.6089 13.7681 13.7844 k = 0.0729 0.0729-0.0000 ( 3713 PWs) bands (ev): -1.2256 -1.2256 3.0333 3.0349 3.5078 3.5094 4.0437 4.0456 6.7446 6.7570 7.2136 7.2157 7.6046 7.6235 8.1274 8.1322 8.6666 8.6797 9.1335 9.1497 9.2636 9.2719 9.5212 9.5314 9.5708 9.5867 9.8770 9.8786 9.8866 9.8892 9.9201 9.9303 10.2507 10.2546 10.3510 10.3609 10.5064 10.5098 11.5307 11.5479 11.5997 11.6038 11.7392 11.7645 11.8029 11.8066 11.8248 11.8290 12.1396 12.1746 12.2796 12.2863 12.4003 12.4342 13.6367 13.6457 13.8010 13.8164 k = 0.0625 0.0625-0.0000 ( 3717 PWs) bands (ev): -1.2442 -1.2442 3.1079 3.1095 3.5207 3.5222 3.9787 3.9806 6.7903 6.8031 7.1951 7.1967 7.5394 7.5572 8.2177 8.2219 8.6813 8.6930 9.0959 9.1114 9.2624 9.2694 9.5139 9.5245 9.5508 9.5669 9.8733 9.8765 9.8849 9.8872 9.9108 9.9208 10.2659 10.2699 10.3557 10.3642 10.4885 10.4908 11.5434 11.5635 11.6113 11.6167 11.7287 11.7569 11.8053 11.8094 11.8238 11.8279 12.1546 12.1902 12.2772 12.2844 12.3793 12.4115 13.6765 13.6850 13.8318 13.8458 k = 0.0521 0.0521-0.0000 ( 3727 PWs) bands (ev): -1.2600 -1.2600 3.1827 3.1844 3.5317 3.5329 3.9117 3.9137 6.8397 6.8529 7.1791 7.1803 7.4720 7.4892 8.3078 8.3114 8.6945 8.7048 9.0501 9.0645 9.2608 9.2671 9.5092 9.5193 9.5349 9.5499 9.8705 9.8753 9.8830 9.8855 9.9029 9.9123 10.2819 10.2860 10.3602 10.3673 10.4698 10.4714 11.5562 11.5794 11.6209 11.6281 11.7162 11.7450 11.8087 11.8119 11.8235 11.8272 12.1699 12.2063 12.2745 12.2832 12.3596 12.3899 13.7180 13.7261 13.8597 13.8721 k = 0.0417 0.0417-0.0000 ( 3727 PWs) bands (ev): -1.2729 -1.2729 3.2576 3.2594 3.5406 3.5416 3.8430 3.8451 6.8928 6.9062 7.1658 7.1665 7.4037 7.4204 8.3968 8.3998 8.7061 8.7146 8.9971 9.0097 9.2592 9.2646 9.5067 9.5155 9.5231 9.5359 9.8688 9.8750 9.8809 9.8842 9.8965 9.9049 10.2986 10.3027 10.3642 10.3699 10.4505 10.4521 11.5692 11.5957 11.6282 11.6380 11.7029 11.7306 11.8122 11.8143 11.8237 11.8266 12.1852 12.2227 12.2714 12.2830 12.3414 12.3691 13.7605 13.7683 13.8840 13.8945 k = 0.0312 0.0312-0.0000 ( 3731 PWs) bands (ev): -1.2830 -1.2830 3.3326 3.3345 3.5476 3.5484 3.7729 3.7750 6.9491 6.9626 7.1555 7.1555 7.3351 7.3517 8.4842 8.4863 8.7157 8.7223 8.9377 8.9483 9.2577 9.2621 9.5057 9.5126 9.5151 9.5249 9.8679 9.8753 9.8787 9.8833 9.8914 9.8983 10.3160 10.3201 10.3677 10.3719 10.4307 10.4328 11.5824 11.6122 11.6325 11.6462 11.6899 11.7147 11.8154 11.8165 11.8238 11.8258 12.2006 12.2396 12.2675 12.2835 12.3249 12.3490 13.8035 13.8109 13.9041 13.9124 k = 0.0208 0.0208-0.0000 ( 3739 PWs) bands (ev): -1.2902 -1.2902 3.4074 3.4093 3.5527 3.5531 3.7015 3.7036 7.0083 7.0218 7.1473 7.1483 7.2670 7.2835 8.5691 8.5707 8.7232 8.7276 8.8727 8.8811 9.2567 9.2598 9.5057 9.5093 9.5111 9.5166 9.8680 9.8748 9.8782 9.8828 9.8876 9.8926 10.3341 10.3380 10.3705 10.3731 10.4108 10.4136 11.5956 11.6290 11.6330 11.6528 11.6783 11.6979 11.8181 11.8185 11.8236 11.8247 12.2156 12.2567 12.2620 12.2849 12.3107 12.3295 13.8465 13.8534 13.9192 13.9253 k = 0.0104 0.0104-0.0000 ( 3743 PWs) bands (ev): -1.2945 -1.2945 3.4818 3.4838 3.5557 3.5559 3.6291 3.6311 7.0701 7.0829 7.1418 7.1448 7.1998 7.2167 8.6507 8.6531 8.7282 8.7304 8.8029 8.8091 9.2563 9.2579 9.5065 9.5074 9.5092 9.5110 9.8689 9.8726 9.8803 9.8829 9.8851 9.8877 10.3526 10.3561 10.3726 10.3735 10.3911 10.3946 11.6084 11.6287 11.6461 11.6583 11.6695 11.6807 11.8202 11.8204 11.8230 11.8234 12.2300 12.2540 12.2743 12.2877 12.2997 12.3106 13.8888 13.8950 13.9289 13.9328 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -1.2959 -1.2959 3.5548 3.5548 3.5578 3.5578 3.5578 3.5578 7.1340 7.1340 7.1340 7.1340 7.1566 7.1566 8.7287 8.7287 8.7287 8.7287 8.7348 8.7348 9.2567 9.2567 9.5078 9.5078 9.5078 9.5078 9.8705 9.8705 9.8836 9.8836 9.8836 9.8836 10.3717 10.3717 10.3717 10.3717 10.3770 10.3770 11.6199 11.6199 11.6634 11.6634 11.6634 11.6634 11.8219 11.8219 11.8220 11.8220 12.2432 12.2432 12.2922 12.2922 12.2923 12.2923 13.9301 13.9301 13.9302 13.9302 k = 0.0000 0.0000 0.0000 ( 3743 PWs) bands (ev): -1.2959 -1.2959 3.5548 3.5548 3.5578 3.5578 3.5578 3.5578 7.1340 7.1340 7.1340 7.1340 7.1566 7.1566 8.7287 8.7287 8.7287 8.7287 8.7348 8.7348 9.2567 9.2567 9.5078 9.5078 9.5078 9.5078 9.8705 9.8705 9.8836 9.8836 9.8836 9.8836 10.3717 10.3717 10.3717 10.3717 10.3770 10.3770 11.6199 11.6199 11.6634 11.6634 11.6634 11.6634 11.8219 11.8219 11.8220 11.8220 12.2432 12.2432 12.2922 12.2922 12.2923 12.2923 13.9301 13.9301 13.9302 13.9302 k = 0.0085 0.0085 0.0085 ( 3743 PWs) bands (ev): -1.2945 -1.2945 3.4824 3.4844 3.5551 3.5553 3.6292 3.6312 7.0703 7.0829 7.1422 7.1448 7.1994 7.2165 8.6506 8.6528 8.7297 8.7310 8.8021 8.8083 9.2563 9.2579 9.5067 9.5072 9.5098 9.5105 9.8689 9.8726 9.8803 9.8831 9.8848 9.8878 10.3527 10.3561 10.3727 10.3735 10.3910 10.3945 11.6084 11.6287 11.6459 11.6593 11.6687 11.6808 11.8203 11.8203 11.8232 11.8232 12.2300 12.2540 12.2742 12.2881 12.2994 12.3106 13.8890 13.8953 13.9287 13.9326 k = 0.0169 0.0169 0.0169 ( 3743 PWs) bands (ev): -1.2902 -1.2902 3.4093 3.4113 3.5501 3.5507 3.7021 3.7041 7.0086 7.0218 7.1484 7.1486 7.2659 7.2828 8.5684 8.5690 8.7280 8.7309 8.8699 8.8782 9.2567 9.2599 9.5067 9.5084 9.5126 9.5150 9.8682 9.8747 9.8782 9.8830 9.8872 9.8928 10.3342 10.3377 10.3707 10.3733 10.4106 10.4134 11.5954 11.6284 11.6333 11.6551 11.6765 11.6978 11.8182 11.8183 11.8241 11.8243 12.2155 12.2565 12.2623 12.2861 12.3098 12.3291 13.8470 13.8540 13.9184 13.9245 k = 0.0254 0.0254 0.0254 ( 3731 PWs) bands (ev): -1.2831 -1.2831 3.3367 3.3386 3.5421 3.5429 3.7744 3.7764 6.9493 6.9624 7.1564 7.1575 7.3331 7.3504 8.4818 8.4828 8.7259 8.7302 8.9315 8.9419 9.2580 9.2628 9.5078 9.5123 9.5160 9.5221 9.8685 9.8764 9.8772 9.8833 9.8909 9.8987 10.3162 10.3195 10.3683 10.3724 10.4304 10.4325 11.5820 11.6111 11.6337 11.6502 11.6868 11.7142 11.8159 11.8160 11.8245 11.8252 12.2004 12.2392 12.2685 12.2856 12.3229 12.3480 13.8043 13.8119 13.9022 13.9109 k = 0.0339 0.0339 0.0339 ( 3731 PWs) bands (ev): -1.2731 -1.2731 3.2648 3.2667 3.5309 3.5320 3.8455 3.8475 6.8930 6.9058 7.1673 7.1695 7.4007 7.4185 8.3919 8.3941 8.7232 8.7288 8.9859 8.9980 9.2602 9.2664 9.5096 9.5198 9.5198 9.5322 9.8700 9.8776 9.8777 9.8839 9.8961 9.9052 10.2986 10.3015 10.3652 10.3708 10.4503 10.4515 11.5685 11.5940 11.6307 11.6441 11.6981 11.7294 11.8130 11.8134 11.8245 11.8259 12.1850 12.2225 12.2735 12.2861 12.3378 12.3671 13.7612 13.7696 13.8806 13.8918 k = 0.0424 0.0424 0.0424 ( 3725 PWs) bands (ev): -1.2603 -1.2603 3.1938 3.1956 3.5170 3.5183 3.9150 3.9170 6.8401 6.8526 7.1809 7.1841 7.4681 7.4866 8.2996 8.3031 8.7200 8.7268 9.0324 9.0455 9.2634 9.2708 9.5119 9.5238 9.5318 9.5462 9.8726 9.8784 9.8798 9.8851 9.9024 9.9122 10.2816 10.2839 10.3618 10.3687 10.4703 10.4703 11.5550 11.5773 11.6252 11.6367 11.7093 11.7428 11.8094 11.8110 11.8242 11.8268 12.1698 12.2064 12.2780 12.2874 12.3539 12.3864 13.7183 13.7275 13.8542 13.8680 k = 0.0508 0.0508 0.0508 ( 3719 PWs) bands (ev): -1.2446 -1.2446 3.1238 3.1256 3.5003 3.5018 3.9825 3.9844 6.7911 6.8032 7.1968 7.2010 7.5348 7.5543 8.2056 8.2101 8.7164 8.7241 9.0703 9.0836 9.2675 9.2762 9.5147 9.5279 9.5492 9.5642 9.8758 9.8790 9.8838 9.8875 9.9097 9.9198 10.2652 10.2666 10.3580 10.3662 10.4889 10.4901 11.5418 11.5610 11.6177 11.6279 11.7196 11.7534 11.8050 11.8087 11.8242 11.8279 12.1548 12.1910 12.2823 12.2893 12.3708 12.4060 13.6757 13.6859 13.8239 13.8403 k = 0.0593 0.0593 0.0593 ( 3713 PWs) bands (ev): -1.2261 -1.2261 3.0551 3.0568 3.4810 3.4829 4.0472 4.0491 6.7464 6.7580 7.2144 7.2197 7.6005 7.6211 8.1103 8.1158 8.7123 8.7208 9.0995 9.1119 9.2727 9.2825 9.5178 9.5321 9.5719 9.5863 9.8784 9.8793 9.8900 9.8927 9.9177 9.9278 10.2495 10.2498 10.3541 10.3634 10.5069 10.5096 11.5290 11.5453 11.6086 11.6177 11.7280 11.7597 11.7999 11.8065 11.8256 11.8295 12.1405 12.1766 12.2864 12.2915 12.3882 12.4260 13.6339 13.6454 13.7905 13.8093 k = 0.0678 0.0678 0.0678 ( 3701 PWs) bands (ev): -1.2048 -1.2048 2.9877 2.9893 3.4595 3.4616 4.1087 4.1105 6.7066 6.7177 7.2332 7.2394 7.6643 7.6866 8.0144 8.0212 8.7079 8.7170 9.1205 9.1310 9.2789 9.2899 9.5212 9.5363 9.5991 9.6116 9.8794 9.8797 9.8990 9.9016 9.9264 9.9361 10.2335 10.2346 10.3502 10.3607 10.5244 10.5286 11.5167 11.5301 11.5979 11.6061 11.7340 11.7612 11.7938 11.8037 11.8294 11.8318 12.1270 12.1633 12.2905 12.2940 12.4062 12.4464 13.5933 13.6061 13.7549 13.7761 k = 0.0763 0.0763 0.0763 ( 3707 PWs) bands (ev): -1.1806 -1.1806 2.9217 2.9233 3.4360 3.4382 4.1663 4.1679 6.6718 6.6823 7.2523 7.2597 7.7249 7.7504 7.9183 7.9275 8.7034 8.7128 9.1342 9.1419 9.2861 9.2982 9.5247 9.5404 9.6293 9.6388 9.8791 9.8800 9.9112 9.9145 9.9354 9.9446 10.2177 10.2205 10.3466 10.3580 10.5410 10.5469 11.5047 11.5154 11.5858 11.5931 11.7368 11.7582 11.7867 11.7992 11.8350 11.8353 12.1143 12.1509 12.2945 12.2966 12.4246 12.4671 13.5538 13.5683 13.7181 13.7417 k = 0.0847 0.0847 0.0847 ( 3701 PWs) bands (ev): -1.1537 -1.1537 2.8573 2.8589 3.4106 3.4131 4.2193 4.2207 6.6425 6.6523 7.2710 7.2796 7.7721 7.8120 7.8229 7.8455 8.6989 8.7083 9.1417 9.1462 9.2944 9.3076 9.5284 9.5446 9.6604 9.6662 9.8784 9.8796 9.9271 9.9317 9.9448 9.9533 10.2028 10.2077 10.3434 10.3558 10.5566 10.5643 11.4932 11.5014 11.5723 11.5789 11.7363 11.7520 11.7784 11.7932 11.8391 11.8422 12.1025 12.1396 12.2984 12.2992 12.4437 12.4883 13.5161 13.5324 13.6812 13.7070 k = 0.0932 0.0932 0.0932 ( 3701 PWs) bands (ev): -1.1239 -1.1239 2.7946 2.7961 3.3837 3.3863 4.2671 4.2682 6.6186 6.6277 7.2885 7.2984 7.7248 7.7292 7.8565 7.8709 8.6947 8.7040 9.1443 9.1453 9.3040 9.3181 9.5322 9.5487 9.6905 9.6923 9.8771 9.8784 9.9466 9.9537 9.9543 9.9626 10.1887 10.1961 10.3410 10.3541 10.5711 10.5807 11.4822 11.4880 11.5575 11.5634 11.7327 11.7435 11.7689 11.7856 11.8436 11.8490 12.0916 12.1292 12.3015 12.3019 12.4632 12.5100 13.4800 13.4984 13.6451 13.6729 k = 0.1017 0.1017 0.1017 ( 3692 PWs) bands (ev): -1.0914 -1.0914 2.7335 2.7351 3.3554 3.3582 4.3090 4.3098 6.6000 6.6081 7.3039 7.3153 7.6378 7.6382 7.9066 7.9266 8.6912 8.7001 9.1405 9.1432 9.3147 9.3297 9.5361 9.5527 9.7159 9.7180 9.8752 9.8765 9.9636 9.9638 9.9784 9.9808 10.1759 10.1863 10.3394 10.3533 10.5842 10.5957 11.4717 11.4753 11.5416 11.5469 11.7262 11.7332 11.7583 11.7766 11.8482 11.8549 12.0814 12.1196 12.3036 12.3051 12.4832 12.5321 13.4459 13.4665 13.6108 13.6404 k = 0.1102 0.1102 0.1102 ( 3689 PWs) bands (ev): -1.0561 -1.0561 2.6743 2.6758 3.3261 3.3290 4.3446 4.3451 6.5859 6.5929 7.3161 7.3293 7.5516 7.5517 7.9558 7.9786 8.6886 8.6970 9.1329 9.1393 9.3265 9.3423 9.5400 9.5567 9.7364 9.7420 9.8723 9.8738 9.9723 9.9725 10.0061 10.0131 10.1646 10.1787 10.3390 10.3535 10.5957 10.6093 11.4615 11.4633 11.5246 11.5295 11.7172 11.7214 11.7464 11.7662 11.8525 11.8598 12.0715 12.1104 12.3051 12.3077 12.5037 12.5547 13.4138 13.4368 13.5789 13.6103 k = 0.1186 0.1186 0.1186 ( 3683 PWs) bands (ev): -1.0181 -1.0180 2.6170 2.6184 3.2959 3.2990 4.3734 4.3736 6.5749 6.5807 7.3239 7.3394 7.4706 7.4720 8.0014 8.0263 8.6875 8.6952 9.1236 9.1336 9.3393 9.3558 9.5441 9.5607 9.7538 9.7625 9.8685 9.8701 9.9782 9.9800 10.0390 10.0498 10.1554 10.1741 10.3400 10.3550 10.6056 10.6212 11.4516 11.4520 11.5066 11.5115 11.7063 11.7085 11.7332 11.7543 11.8563 11.8634 12.0618 12.1011 12.3061 12.3098 12.5246 12.5776 13.3838 13.4094 13.5503 13.5832 k = 0.1271 0.1271 0.1271 ( 3671 PWs) bands (ev): -0.9773 -0.9773 2.5616 2.5630 3.2651 3.2683 4.3950 4.3952 6.5649 6.5692 7.3250 7.3450 7.3980 7.4031 8.0422 8.0691 8.6882 8.6950 9.1132 9.1268 9.3530 9.3702 9.5482 9.5646 9.7686 9.7799 9.8636 9.8654 9.9820 9.9863 10.0742 10.0901 10.1489 10.1735 10.3424 10.3578 10.6137 10.6313 11.4415 11.4415 11.4879 11.4934 11.6940 11.6948 11.7187 11.7411 11.8592 11.8659 12.0517 12.0915 12.3063 12.3112 12.5458 12.6010 13.3561 13.3844 13.5256 13.5598 k = 0.1356 0.1356 0.1356 ( 3671 PWs) bands (ev): -0.9338 -0.9338 2.5081 2.5095 3.2339 3.2372 4.4093 4.4099 6.5528 6.5554 7.3120 7.3372 7.3452 7.3552 8.0776 8.1064 8.6909 8.6969 9.1027 9.1197 9.3673 9.3853 9.5522 9.5683 9.7811 9.7944 9.8574 9.8597 9.9836 9.9902 10.1088 10.1330 10.1457 10.1790 10.3465 10.3622 10.6200 10.6395 11.4307 11.4315 11.4683 11.4757 11.6803 11.6804 11.7029 11.7264 11.8611 11.8672 12.0411 12.0811 12.3057 12.3117 12.5673 12.6245 13.3307 13.3619 13.5051 13.5404 k = 0.1441 0.1441 0.1441 ( 3674 PWs) bands (ev): -0.8876 -0.8876 2.4567 2.4580 3.2024 3.2059 4.4166 4.4176 6.5348 6.5354 7.2819 7.2921 7.3345 7.3393 8.1068 8.1374 8.6958 8.7009 9.0927 9.1128 9.3820 9.4009 9.5563 9.5719 9.7920 9.8067 9.8499 9.8530 9.9832 9.9916 10.1374 10.1464 10.1773 10.1950 10.3522 10.3681 10.6243 10.6457 11.4183 11.4223 11.4482 11.4598 11.6656 11.6661 11.6859 11.7105 11.8618 11.8673 12.0299 12.0699 12.3041 12.3114 12.5888 12.6480 13.3078 13.3420 13.4893 13.5254 k = 0.1525 0.1525 0.1525 ( 3674 PWs) bands (ev): -0.8388 -0.8388 2.4073 2.4086 3.1709 3.1745 4.4171 4.4185 6.5061 6.5072 7.2590 7.2661 7.3195 7.3270 8.1293 8.1615 8.7029 8.7073 9.0839 9.1070 9.3969 9.4168 9.5603 9.5754 9.8015 9.8166 9.8412 9.8460 9.9808 9.9904 10.1511 10.1568 10.2223 10.2240 10.3596 10.3757 10.6270 10.6501 11.4033 11.4138 11.4276 11.4466 11.6507 11.6514 11.6678 11.6935 11.8612 11.8663 12.0182 12.0579 12.3017 12.3101 12.6102 12.6712 13.2877 13.3249 13.4783 13.5149 k = 0.1610 0.1610 0.1610 ( 3680 PWs) bands (ev): -0.7873 -0.7873 2.3600 2.3613 3.1395 3.1432 4.4113 4.4129 6.4653 6.4681 7.2515 7.2613 7.3035 7.3081 8.1445 8.1781 8.7121 8.7158 9.0771 9.1027 9.4116 9.4328 9.5642 9.5787 9.8101 9.8219 9.8314 9.8415 9.9770 9.9870 10.1593 10.1714 10.2602 10.2669 10.3686 10.3848 10.6283 10.6528 11.3857 11.4058 11.4068 11.4363 11.6358 11.6365 11.6487 11.6755 11.8589 11.8640 12.0064 12.0451 12.2982 12.3078 12.6312 12.6940 13.2706 13.3107 13.4721 13.5091 k = 0.1695 0.1695 0.1695 ( 3686 PWs) bands (ev): -0.7332 -0.7332 2.3148 2.3161 3.1085 3.1122 4.3994 4.4014 6.4135 6.4174 7.2475 7.2770 7.2826 7.2978 8.1520 8.1867 8.7228 8.7261 9.0727 9.1004 9.4258 9.4485 9.5679 9.5817 9.8178 9.8181 9.8205 9.8441 9.9722 9.9820 10.1707 10.1856 10.2984 10.3103 10.3793 10.3955 10.6286 10.6542 11.3663 11.3860 11.3985 11.4284 11.6210 11.6217 11.6285 11.6567 11.8546 11.8604 11.9948 12.0321 12.2939 12.3047 12.6514 12.7158 13.2567 13.2997 13.4707 13.5077 k = 0.1780 0.1780 0.1780 ( 3674 PWs) bands (ev): -0.6766 -0.6766 2.2718 2.2731 3.0778 3.0816 4.3821 4.3843 6.3525 6.3573 7.2245 7.2505 7.3108 7.3225 8.1516 8.1869 8.7346 8.7377 9.0712 9.1004 9.4392 9.4636 9.5716 9.5845 9.8090 9.8091 9.8249 9.8507 9.9669 9.9761 10.1846 10.2006 10.3360 10.3513 10.3916 10.4078 10.6289 10.6549 11.3462 11.3654 11.3918 11.4221 11.6063 11.6074 11.6076 11.6376 11.8481 11.8552 11.9844 12.0194 12.2888 12.3007 12.6706 12.7363 13.2467 13.2921 13.4735 13.5105 k = 0.1864 0.1864 0.1864 ( 3674 PWs) bands (ev): -0.6174 -0.6174 2.2310 2.2323 3.0477 3.0516 4.3597 4.3622 6.2851 6.2903 7.1887 7.2124 7.3597 7.3690 8.1431 8.1786 8.7465 8.7495 9.0726 9.1029 9.4511 9.4776 9.5750 9.5869 9.7973 9.7987 9.8315 9.8578 9.9615 9.9699 10.2005 10.2168 10.3709 10.3883 10.4053 10.4213 10.6306 10.6557 11.3259 11.3452 11.3855 11.4168 11.5859 11.5911 11.5934 11.6187 11.8389 11.8481 11.9757 12.0077 12.2829 12.2957 12.6883 12.7546 13.2411 13.2884 13.4802 13.5169 k = 0.1949 0.1949 0.1949 ( 3668 PWs) bands (ev): -0.5557 -0.5556 2.1924 2.1937 3.0183 3.0222 4.3328 4.3354 6.2137 6.2190 7.1457 7.1686 7.4205 7.4289 8.1267 8.1618 8.7575 8.7606 9.0771 9.1079 9.4613 9.4898 9.5781 9.5889 9.7861 9.7884 9.8376 9.8646 9.9563 9.9638 10.2182 10.2342 10.4016 10.4193 10.4204 10.4359 10.6358 10.6582 11.3060 11.3256 11.3798 11.4122 11.5637 11.5746 11.5798 11.6011 11.8271 11.8389 11.9692 11.9976 12.2763 12.2900 12.7042 12.7704 13.2403 13.2888 13.4898 13.5261 k = 0.2034 0.2034 0.2034 ( 3668 PWs) bands (ev): -0.4915 -0.4915 2.1561 2.1573 2.9896 2.9936 4.3017 4.3045 6.1403 6.1456 7.0971 7.1196 7.4906 7.4987 8.1026 8.1369 8.7664 8.7698 9.0843 9.1154 9.4692 9.4996 9.5809 9.5905 9.7760 9.7790 9.8432 9.8710 9.9517 9.9582 10.2372 10.2527 10.4262 10.4368 10.4413 10.4520 10.6468 10.6639 11.2869 11.3068 11.3744 11.4080 11.5411 11.5560 11.5668 11.5857 11.8130 11.8276 11.9648 11.9895 12.2691 12.2836 12.7176 12.7829 13.2451 13.2937 13.5011 13.5367 k = 0.2119 0.2119 0.2119 ( 3671 PWs) bands (ev): -0.4249 -0.4249 2.1219 2.1231 2.9618 2.9658 4.2669 4.2697 6.0666 6.0717 7.0438 7.0661 7.5679 7.5761 8.0714 8.1044 8.7717 8.7754 9.0941 9.1249 9.4746 9.5065 9.5833 9.5917 9.7682 9.7713 9.8485 9.8770 9.9479 9.9534 10.2574 10.2722 10.4431 10.4522 10.4543 10.4701 10.6652 10.6746 11.2687 11.2891 11.3694 11.4041 11.5184 11.5353 11.5541 11.5725 11.7973 11.8144 11.9625 11.9836 12.2615 12.2765 12.7284 12.7917 13.2559 13.3035 13.5123 13.5468 k = 0.2203 0.2203 0.2203 ( 3677 PWs) bands (ev): -0.3559 -0.3559 2.0901 2.0913 2.9349 2.9390 4.2286 4.2314 5.9938 5.9985 6.9865 7.0086 7.6505 7.6592 8.0338 8.0648 8.7718 8.7759 9.1059 9.1364 9.4777 9.5100 9.5853 9.5928 9.7634 9.7661 9.8533 9.8825 9.9450 9.9496 10.2786 10.2926 10.4514 10.4537 10.4730 10.4893 10.6904 10.6910 11.2519 11.2726 11.3647 11.4001 11.4959 11.5134 11.5418 11.5608 11.7806 11.7998 11.9619 11.9799 12.2534 12.2688 12.7362 12.7964 13.2730 13.3185 13.5207 13.5539 k = 0.2288 0.2288 0.2288 ( 3668 PWs) bands (ev): -0.2846 -0.2846 2.0605 2.0617 2.9090 2.9131 4.1871 4.1899 5.9227 5.9271 6.9259 6.9478 7.7365 7.7467 7.9909 8.0189 8.7653 8.7695 9.1195 9.1494 9.4788 9.5104 9.5869 9.5937 9.7620 9.7636 9.8578 9.8876 9.9432 9.9469 10.3009 10.3137 10.4482 10.4521 10.4929 10.5093 10.7127 10.7204 11.2367 11.2577 11.3601 11.3956 11.4743 11.4909 11.5299 11.5501 11.7636 11.7842 11.9628 11.9783 12.2452 12.2607 12.7409 12.7974 13.2963 13.3388 13.5232 13.5545 k = 0.2373 0.2373 0.2373 ( 3665 PWs) bands (ev): -0.2111 -0.2111 2.0332 2.0344 2.8842 2.8884 4.1427 4.1454 5.8542 5.8582 6.8626 6.8842 7.8212 7.8375 7.9467 7.9672 8.7503 8.7545 9.1343 9.1637 9.4790 9.5087 9.5882 9.5944 9.7639 9.7640 9.8620 9.8922 9.9425 9.9454 10.3242 10.3355 10.4377 10.4467 10.5138 10.5304 10.7383 10.7530 11.2231 11.2442 11.3555 11.3896 11.4545 11.4683 11.5181 11.5399 11.7466 11.7682 11.9648 11.9783 12.2367 12.2522 12.7424 12.7946 13.3257 13.3643 13.5156 13.5445 k = 0.2458 0.2458 0.2458 ( 3668 PWs) bands (ev): -0.1354 -0.1353 2.0082 2.0094 2.8605 2.8647 4.0955 4.0980 5.7889 5.7924 6.7969 6.8184 7.8599 7.9104 7.9304 7.9456 8.7254 8.7292 9.1502 9.1789 9.4793 9.5061 9.5889 9.5949 9.7667 9.7690 9.8658 9.8963 9.9431 9.9451 10.3483 10.3572 10.4237 10.4375 10.5359 10.5526 10.7662 10.7867 11.2113 11.2324 11.3506 11.3808 11.4378 11.4462 11.5065 11.5299 11.7301 11.7522 11.9677 11.9798 12.2281 12.2434 12.7410 12.7886 13.3607 13.3947 13.4943 13.5207 k = 0.2542 0.2542 0.2542 ( 3668 PWs) bands (ev): -0.0575 -0.0575 1.9856 1.9868 2.8379 2.8421 4.0457 4.0481 5.7271 5.7301 6.7296 6.7508 7.8135 7.8492 8.0247 8.0265 8.6896 8.6927 9.1669 9.1949 9.4808 9.5041 9.5894 9.5951 9.7715 9.7762 9.8693 9.8999 9.9448 9.9460 10.3734 10.3767 10.4074 10.4279 10.5591 10.5759 10.7954 10.8205 11.2014 11.2223 11.3450 11.3678 11.4251 11.4260 11.4950 11.5202 11.7143 11.7364 11.9715 11.9825 12.2195 12.2343 12.7367 12.7798 13.4011 13.4276 13.4580 13.4848 k = 0.2627 0.2627 0.2627 ( 3668 PWs) bands (ev): 0.0224 0.0225 1.9652 1.9664 2.8165 2.8207 3.9935 3.9957 5.6694 5.6718 6.6611 6.6819 7.7523 7.7840 8.1188 8.1197 8.6421 8.6445 9.1841 9.2115 9.4843 9.5038 9.5895 9.5950 9.7778 9.7849 9.8724 9.9029 9.9477 9.9481 10.3847 10.3894 10.3993 10.4283 10.5835 10.6003 10.8249 10.8539 11.1934 11.2140 11.3380 11.3510 11.4059 11.4186 11.4837 11.5104 11.6992 11.7210 11.9759 11.9862 12.2109 12.2250 12.7300 12.7687 13.4083 13.4204 13.4466 13.4810 k = 0.2712 0.2712 0.2712 ( 3662 PWs) bands (ev): 0.1043 0.1044 1.9472 1.9484 2.7962 2.8004 3.9391 3.9411 5.6159 5.6178 6.5918 6.6123 7.6860 7.7154 8.2126 8.2145 8.5831 8.5844 9.2018 9.2285 9.4901 9.5057 9.5894 9.5947 9.7851 9.7945 9.8752 9.9055 9.9511 9.9515 10.3703 10.3748 10.4261 10.4458 10.6091 10.6260 10.8543 10.8867 11.1874 11.2076 11.3288 11.3321 11.3897 11.4142 11.4727 11.5008 11.6848 11.7063 11.9808 11.9907 12.2025 12.2157 12.7210 12.7556 13.3490 13.3627 13.4969 13.5238 k = 0.2797 0.2797 0.2797 ( 3656 PWs) bands (ev): 0.1881 0.1881 1.9316 1.9328 2.7771 2.7813 3.8827 3.8844 5.5669 5.5682 6.5221 6.5423 7.6163 7.6439 8.3062 8.3085 8.5131 8.5132 9.2197 9.2459 9.4981 9.5099 9.5891 9.5942 9.7929 9.8044 9.8775 9.9076 9.9550 9.9562 10.3503 10.3576 10.4540 10.4703 10.6359 10.6529 10.8834 10.9185 11.1834 11.2029 11.3124 11.3168 11.3773 11.4115 11.4621 11.4912 11.6712 11.6921 11.9861 11.9959 12.1942 12.2064 12.7100 12.7409 13.2841 13.2971 13.5518 13.5744 k = 0.2881 0.2881 0.2881 ( 3662 PWs) bands (ev): 0.2736 0.2737 1.9182 1.9194 2.7591 2.7633 3.8243 3.8258 5.5224 5.5232 6.4525 6.4722 7.5437 7.5700 8.3986 8.3987 8.4315 8.4352 9.2378 9.2634 9.5079 9.5161 9.5888 9.5936 9.8007 9.8143 9.8795 9.9091 9.9596 9.9616 10.3296 10.3379 10.4826 10.4972 10.6637 10.6808 10.9118 10.9492 11.1813 11.2000 11.2929 11.3020 11.3685 11.4098 11.4518 11.4817 11.6581 11.6784 11.9917 12.0015 12.1862 12.1971 12.6972 12.7248 13.2168 13.2293 13.6111 13.6301 k = 0.2966 0.2966 0.2966 ( 3662 PWs) bands (ev): 0.3608 0.3608 1.9073 1.9085 2.7423 2.7465 3.7643 3.7655 5.4827 5.4829 6.3833 6.4027 7.4689 7.4939 8.3406 8.3410 8.4894 8.4937 9.2561 9.2812 9.5192 9.5241 9.5885 9.5931 9.8084 9.8237 9.8811 9.9101 9.9646 9.9675 10.3084 10.3168 10.5124 10.5257 10.6928 10.7099 10.9395 10.9788 11.1809 11.1988 11.2740 11.2858 11.3623 11.4086 11.4422 11.4724 11.6454 11.6652 11.9975 12.0075 12.1785 12.1880 12.6829 12.7076 13.1495 13.1617 13.6750 13.6907 k = 0.3051 0.3051 0.3051 ( 3659 PWs) bands (ev): 0.4495 0.4496 1.8986 1.8998 2.7266 2.7307 3.7028 3.7037 5.4473 5.4478 6.3148 6.3338 7.3924 7.4162 8.2414 8.2430 8.5778 8.5821 9.2745 9.2991 9.5316 9.5334 9.5884 9.5928 9.8157 9.8324 9.8822 9.9105 9.9697 9.9736 10.2868 10.2948 10.5432 10.5555 10.7229 10.7401 10.9665 11.0074 11.1823 11.1991 11.2562 11.2693 11.3579 11.4079 11.4332 11.4634 11.6331 11.6523 12.0034 12.0137 12.1712 12.1792 12.6674 12.6894 13.0837 13.0958 13.7433 13.7561 k = 0.3136 0.3136 0.3136 ( 3659 PWs) bands (ev): 0.5397 0.5397 1.8924 1.8936 2.7119 2.7160 3.6400 3.6406 5.4165 5.4175 6.2475 6.2661 7.3144 7.3372 8.1351 8.1374 8.6636 8.6680 9.2931 9.3172 9.5435 9.5445 9.5884 9.5928 9.8223 9.8403 9.8828 9.9102 9.9748 9.9797 10.2648 10.2723 10.5750 10.5865 10.7539 10.7713 10.9926 11.0349 11.1853 11.2011 11.2397 11.2533 11.3543 11.4073 11.4249 11.4549 11.6209 11.6396 12.0093 12.0201 12.1642 12.1706 12.6506 12.6704 13.0201 13.0323 13.8162 13.8262 k = 0.3220 0.3220 0.3220 ( 3665 PWs) bands (ev): 0.6310 0.6311 1.8884 1.8897 2.6982 2.7023 3.5761 3.5766 5.3904 5.3919 6.1816 6.1999 7.2354 7.2573 8.0227 8.0256 8.7462 8.7509 9.3117 9.3355 9.5540 9.5577 9.5888 9.5933 9.8282 9.8471 9.8829 9.9094 9.9795 9.9854 10.2426 10.2492 10.6080 10.6187 10.7858 10.8032 11.0179 11.0613 11.1898 11.2045 11.2249 11.2384 11.3514 11.4069 11.4174 11.4468 11.6088 11.6270 12.0152 12.0264 12.1576 12.1623 12.6327 12.6505 12.9591 12.9715 13.8936 13.9010 k = 0.3305 0.3305 0.3305 ( 3668 PWs) bands (ev): 0.7234 0.7235 1.8868 1.8881 2.6854 2.6895 3.5115 3.5117 5.3688 5.3709 6.1175 6.1354 7.1557 7.1767 7.9052 7.9087 8.8255 8.8304 9.3305 9.3539 9.5645 9.5710 9.5896 9.5946 9.8333 9.8530 9.8824 9.9078 9.9835 9.9905 10.2200 10.2258 10.6420 10.6520 10.8183 10.8360 11.0424 11.0866 11.1956 11.2092 11.2118 11.2248 11.3490 11.4066 11.4108 11.4393 11.5967 11.6145 12.0209 12.0327 12.1515 12.1546 12.6140 12.6300 12.9008 12.9135 13.9758 13.9806 k = 0.3390 0.3390 0.3390 ( 3662 PWs) bands (ev): 0.8168 0.8168 1.8876 1.8889 2.6735 2.6776 3.4463 3.4463 5.3519 5.3545 6.0555 6.0730 7.0756 7.0958 7.7837 7.7876 8.9011 8.9062 9.3495 9.3726 9.5743 9.5842 9.5908 9.5972 9.8375 9.8576 9.8814 9.9056 9.9866 9.9947 10.1974 10.2022 10.6773 10.6865 10.8515 10.8694 11.0660 11.1108 11.2004 11.2031 11.2130 11.2152 11.3468 11.4052 11.4063 11.4324 11.5845 11.6019 12.0266 12.0389 12.1460 12.1473 12.5944 12.6090 12.8455 12.8586 14.0626 14.0650 k = 0.3475 0.3475 0.3475 ( 3671 PWs) bands (ev): 0.9108 0.9108 1.8907 1.8920 2.6623 2.6663 3.3806 3.3808 5.3393 5.3424 5.9959 6.0130 6.9953 7.0147 7.6590 7.6634 8.9729 8.9783 9.3685 9.3914 9.5825 9.5925 9.5970 9.6019 9.8406 9.8611 9.8797 9.9027 9.9885 9.9976 10.1745 10.1783 10.7134 10.7220 10.8849 10.9031 11.0886 11.1339 11.1918 11.2031 11.2109 11.2224 11.3447 11.4004 11.4059 11.4261 11.5721 11.5892 12.0321 12.0450 12.1405 12.1409 12.5741 12.5874 12.7928 12.8063 14.1541 14.1542 k = 0.3559 0.3559 0.3559 ( 3653 PWs) bands (ev): 1.0052 1.0052 1.8962 1.8975 2.6517 2.6557 3.3147 3.3151 5.3311 5.3347 5.9391 5.9558 6.9152 6.9339 7.5320 7.5368 9.0409 9.0465 9.3879 9.4105 9.5886 9.5948 9.6093 9.6096 9.8429 9.8636 9.8773 9.8992 9.9890 9.9992 10.1516 10.1544 10.7505 10.7585 10.9185 10.9370 11.1102 11.1559 11.1853 11.1954 11.2201 11.2307 11.3429 11.3966 11.4056 11.4204 11.5596 11.5764 12.0375 12.0510 12.1344 12.1365 12.5533 12.5656 12.7428 12.7567 14.2481 14.2506 k = 0.3644 0.3644 0.3644 ( 3665 PWs) bands (ev): 1.0998 1.0998 1.9039 1.9052 2.6416 2.6455 3.2490 3.2495 5.3271 5.3312 5.8853 5.9017 6.8355 6.8535 7.4036 7.4087 9.1049 9.1107 9.4073 9.4298 9.5933 9.5977 9.6185 9.6218 9.8440 9.8648 9.8742 9.8947 9.9878 9.9990 10.1284 10.1303 10.7883 10.7957 10.9519 10.9709 11.1303 11.1764 11.1811 11.1901 11.2298 11.2400 11.3411 11.3936 11.4051 11.4154 11.5466 11.5633 12.0425 12.0566 12.1288 12.1325 12.5318 12.5432 12.6951 12.7094 14.3467 14.3518 k = 0.3729 0.3729 0.3729 ( 3662 PWs) bands (ev): 1.1943 1.1943 1.9141 1.9154 2.6318 2.6356 3.1835 3.1843 5.3272 5.3317 5.8350 5.8509 6.7563 6.7737 7.2746 7.2799 9.1651 9.1711 9.4271 9.4494 9.5977 9.6013 9.6286 9.6337 9.8442 9.8649 9.8704 9.8896 9.9849 9.9970 10.1053 10.1063 10.8268 10.8335 10.9849 11.0047 11.1487 11.1795 11.1876 11.1957 11.2402 11.2502 11.3395 11.3915 11.4046 11.4109 11.5334 11.5500 12.0476 12.0623 12.1240 12.1292 12.5099 12.5206 12.6497 12.6643 14.4500 14.4576 k = 0.3814 0.3814 0.3814 ( 3656 PWs) bands (ev): 1.2884 1.2885 1.9265 1.9278 2.6222 2.6259 3.1186 3.1194 5.3312 5.3362 5.7883 5.8039 6.6779 6.6947 7.1456 7.1513 9.2216 9.2278 9.4471 9.4693 9.6023 9.6056 9.6388 9.6452 9.8434 9.8641 9.8658 9.8838 9.9801 9.9930 10.0822 10.0823 10.8656 10.8718 11.0170 11.0380 11.1638 11.1806 11.1895 11.2134 11.2510 11.2613 11.3379 11.3901 11.4040 11.4069 11.5201 11.5366 12.0527 12.0679 12.1201 12.1266 12.4876 12.4978 12.6063 12.6213 14.5578 14.5682 k = 0.3898 0.3898 0.3898 ( 3656 PWs) bands (ev): 1.3817 1.3818 1.9412 1.9426 2.6125 2.6161 3.0543 3.0553 5.3391 5.3445 5.7458 5.7610 6.6005 6.6167 7.0176 7.0236 9.2745 9.2809 9.4673 9.4895 9.6073 9.6106 9.6491 9.6563 9.8417 9.8604 9.8622 9.8772 9.9734 9.9870 10.0584 10.0591 10.9045 10.9101 11.0479 11.0706 11.1731 11.1844 11.1979 11.2295 11.2620 11.2730 11.3364 11.3893 11.4032 11.4032 11.5063 11.5228 12.0578 12.0735 12.1168 12.1247 12.4650 12.4748 12.5649 12.5802 14.6699 14.6832 k = 0.3983 0.3983 0.3983 ( 3656 PWs) bands (ev): 1.4739 1.4740 1.9583 1.9597 2.6025 2.6060 2.9908 2.9919 5.3508 5.3565 5.7078 5.7226 6.5243 6.5399 6.8912 6.8975 9.3240 9.3305 9.4879 9.5099 9.6130 9.6162 9.6593 9.6671 9.8390 9.8543 9.8594 9.8699 9.9649 9.9789 10.0346 10.0360 10.9431 10.9483 11.0769 11.1022 11.1786 11.1912 11.2108 11.2440 11.2730 11.2852 11.3350 11.3892 11.3999 11.4024 11.4923 11.5089 12.0630 12.0791 12.1144 12.1234 12.4422 12.4516 12.5253 12.5408 14.7861 14.8024 k = 0.4068 0.4068 0.4068 ( 3662 PWs) bands (ev): 1.5646 1.5647 1.9776 1.9790 2.5919 2.5954 2.9283 2.9295 5.3661 5.3722 5.6746 5.6890 6.4494 6.4645 6.7672 6.7737 9.3704 9.3770 9.5086 9.5306 9.6193 9.6226 9.6694 9.6775 9.8354 9.8473 9.8558 9.8619 9.9545 9.9687 10.0111 10.0129 10.9812 10.9859 11.1035 11.1324 11.1838 11.2013 11.2244 11.2571 11.2839 11.2975 11.3336 11.3893 11.3968 11.4014 11.4781 11.4948 12.0685 12.0850 12.1129 12.1229 12.4192 12.4285 12.4873 12.5031 14.9059 14.9256 k = 0.4153 0.4153 0.4153 ( 3656 PWs) bands (ev): 1.6532 1.6534 1.9992 2.0006 2.5806 2.5839 2.8669 2.8682 5.3849 5.3915 5.6467 5.6607 6.3759 6.3905 6.6462 6.6530 9.4139 9.4206 9.5297 9.5516 9.6263 9.6298 9.6793 9.6877 9.8309 9.8397 9.8515 9.8535 9.9424 9.9564 9.9881 9.9899 11.0185 11.0227 11.1272 11.1611 11.1900 11.2148 11.2375 11.2688 11.2945 11.3098 11.3321 11.3897 11.3937 11.4005 11.4638 11.4806 12.0745 12.0913 12.1125 12.1233 12.3963 12.4056 12.4511 12.4670 15.0290 15.0525 k = 0.4237 0.4237 0.4237 ( 3656 PWs) bands (ev): 1.7395 1.7398 2.0231 2.0245 2.5680 2.5712 2.8067 2.8081 5.4072 5.4141 5.6244 5.6381 6.3041 6.3182 6.5290 6.5361 9.4546 9.4615 9.5510 9.5728 9.6340 9.6377 9.6891 9.6977 9.8255 9.8312 9.8445 9.8465 9.9287 9.9417 9.9657 9.9671 11.0547 11.0586 11.1480 11.1878 11.1975 11.2312 11.2495 11.2793 11.3047 11.3216 11.3306 11.3901 11.3904 11.3994 11.4494 11.4663 12.0810 12.0980 12.1130 12.1245 12.3733 12.3827 12.4165 12.4324 15.1548 15.1824 k = 0.4322 0.4322 0.4322 ( 3650 PWs) bands (ev): 1.8228 1.8232 2.0492 2.0506 2.5540 2.5570 2.7479 2.7493 5.4329 5.4402 5.6083 5.6216 6.2340 6.2477 6.4162 6.4237 9.4928 9.4998 9.5725 9.5943 9.6424 9.6463 9.6987 9.7074 9.8190 9.8221 9.8354 9.8409 9.9136 9.9246 9.9443 9.9444 11.0895 11.0932 11.1663 11.2061 11.2122 11.2496 11.2604 11.2886 11.3143 11.3290 11.3328 11.3867 11.3902 11.3983 11.4351 11.4521 12.0883 12.1053 12.1148 12.1268 12.3505 12.3600 12.3836 12.3995 15.2826 15.3150 k = 0.4407 0.4407 0.4407 ( 3641 PWs) bands (ev): 1.9028 1.9033 2.0775 2.0790 2.5380 2.5409 2.6906 2.6920 5.4619 5.4695 5.5988 5.6117 6.1658 6.1790 6.3086 6.3164 9.5289 9.5360 9.5942 9.6158 9.6514 9.6557 9.7083 9.7168 9.8113 9.8123 9.8263 9.8348 9.8973 9.9052 9.9216 9.9242 11.1227 11.1263 11.1831 11.2158 11.2340 11.2686 11.2700 11.2968 11.3232 11.3272 11.3429 11.3825 11.3899 11.3974 11.4212 11.4379 12.0964 12.1134 12.1177 12.1303 12.3280 12.3377 12.3524 12.3681 15.4115 15.4496 k = 0.4492 0.4492 0.4492 ( 3629 PWs) bands (ev): 1.9789 1.9795 2.1081 2.1095 2.5197 2.5224 2.6347 2.6362 5.4940 5.5019 5.5962 5.6087 6.0995 6.1124 6.2067 6.2149 9.5629 9.5700 9.6160 9.6373 9.6611 9.6659 9.7176 9.7260 9.8019 9.8025 9.8175 9.8282 9.8800 9.8840 9.8991 9.9047 11.1538 11.1574 11.1989 11.2265 11.2526 11.2786 11.2870 11.3037 11.3250 11.3313 11.3516 11.3775 11.3886 11.3967 11.4084 11.4239 12.1054 12.1220 12.1225 12.1351 12.3060 12.3159 12.3230 12.3384 15.5405 15.5852 k = 0.4576 0.4576 0.4576 ( 3632 PWs) bands (ev): 2.0508 2.0515 2.1408 2.1423 2.4987 2.5012 2.5805 2.5819 5.5293 5.5375 5.6012 5.6132 6.0354 6.0478 6.1113 6.1199 9.5949 9.6020 9.6378 9.6582 9.6713 9.6771 9.7267 9.7346 9.7909 9.7925 9.8088 9.8210 9.8618 9.8619 9.8767 9.8851 11.1825 11.1864 11.2144 11.2379 11.2678 11.2860 11.3036 11.3088 11.3224 11.3382 11.3580 11.3715 11.3848 11.3963 11.3990 11.4101 12.1155 12.1277 12.1324 12.1413 12.2844 12.2945 12.2955 12.3105 15.6682 15.7209 k = 0.4661 0.4661 0.4661 ( 3638 PWs) bands (ev): 2.1180 2.1189 2.1756 2.1771 2.4744 2.4767 2.5279 2.5294 5.5675 5.5761 5.6139 5.6256 5.9734 5.9855 6.0230 6.0320 9.6252 9.6322 9.6595 9.6772 9.6820 9.6906 9.7356 9.7425 9.7794 9.7820 9.8000 9.8133 9.8393 9.8431 9.8546 9.8651 11.2086 11.2129 11.2297 11.2497 11.2793 11.2922 11.3116 11.3180 11.3192 11.3440 11.3607 11.3647 11.3776 11.3956 11.3965 11.3967 12.1266 12.1351 12.1435 12.1492 12.2635 12.2700 12.2738 12.2845 15.7925 15.8553 k = 0.4746 0.4746 0.4746 ( 3638 PWs) bands (ev): 2.1803 2.1813 2.2126 2.2141 2.4464 2.4485 2.4772 2.4787 5.6088 5.6176 5.6349 5.6460 5.9138 5.9255 5.9422 5.9517 9.6540 9.6607 9.6810 9.6926 9.6932 9.7076 9.7442 9.7483 9.7677 9.7726 9.7911 9.8050 9.8168 9.8248 9.8332 9.8449 11.2316 11.2365 11.2450 11.2618 11.2869 11.2973 11.3109 11.3152 11.3298 11.3483 11.3579 11.3590 11.3708 11.3838 11.3963 11.3974 12.1388 12.1440 12.1558 12.1589 12.2435 12.2467 12.2539 12.2603 15.9108 15.9550 k = 0.4831 0.4831 0.4831 ( 3648 PWs) bands (ev): 2.2374 2.2386 2.2517 2.2532 2.4142 2.4161 2.4282 2.4297 5.6529 5.6619 5.6643 5.6749 5.8565 5.8680 5.8695 5.8795 9.6812 9.6871 9.7016 9.7047 9.7056 9.7254 9.7474 9.7517 9.7558 9.7673 9.7827 9.7956 9.7957 9.8083 9.8136 9.8245 11.2514 11.2567 11.2599 11.2733 11.2903 11.3007 11.3057 11.3101 11.3391 11.3510 11.3524 11.3559 11.3650 11.3717 11.3983 11.3988 12.1518 12.1542 12.1693 12.1704 12.2249 12.2256 12.2349 12.2380 16.0184 16.0371 k = 0.4915 0.4915 0.4915 ( 3648 PWs) bands (ev): 2.2893 2.2907 2.2928 2.2944 2.3775 2.3792 2.3811 2.3827 5.6998 5.7025 5.7087 5.7121 5.8017 5.8051 5.8134 5.8160 9.7066 9.7106 9.7166 9.7179 9.7200 9.7364 9.7388 9.7438 9.7556 9.7605 9.7812 9.7816 9.7867 9.7961 9.7976 9.8046 11.2684 11.2729 11.2732 11.2824 11.2892 11.2961 11.3017 11.3041 11.3467 11.3503 11.3525 11.3540 11.3593 11.3610 11.4000 11.4001 12.1646 12.1653 12.1840 12.1841 12.2083 12.2086 12.2168 12.2179 16.1056 16.1091 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): 2.3344 2.3344 2.3375 2.3375 2.3375 2.3375 2.3375 2.3375 5.7494 5.7494 5.7494 5.7494 5.7494 5.7494 5.7700 5.7700 9.7273 9.7273 9.7273 9.7273 9.7273 9.7273 9.7314 9.7314 9.7533 9.7533 9.7873 9.7873 9.7873 9.7873 9.7873 9.7873 11.2833 11.2833 11.2833 11.2833 11.2834 11.2834 11.3008 11.3008 11.3532 11.3532 11.3533 11.3533 11.3533 11.3533 11.4006 11.4006 12.1719 12.1719 12.1998 12.1998 12.1999 12.1999 12.1999 12.1999 16.1446 16.1446 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): 2.3344 2.3344 2.3375 2.3375 2.3375 2.3375 2.3375 2.3375 5.7494 5.7494 5.7494 5.7494 5.7494 5.7494 5.7700 5.7700 9.7273 9.7273 9.7273 9.7273 9.7273 9.7273 9.7314 9.7314 9.7533 9.7533 9.7873 9.7873 9.7873 9.7873 9.7873 9.7873 11.2833 11.2833 11.2833 11.2833 11.2834 11.2834 11.3008 11.3008 11.3532 11.3532 11.3533 11.3533 11.3533 11.3533 11.4006 11.4006 12.1719 12.1719 12.1998 12.1998 12.1999 12.1999 12.1999 12.1999 16.1446 16.1446 k = 0.4896 0.5000 0.4896 ( 3648 PWs) bands (ev): 2.2909 2.2909 2.2923 2.2923 2.3795 2.3795 2.3811 2.3811 5.7010 5.7010 5.7102 5.7102 5.8036 5.8036 5.8149 5.8149 9.7090 9.7091 9.7142 9.7142 9.7302 9.7303 9.7414 9.7415 9.7584 9.7585 9.7809 9.7809 9.7904 9.7904 9.8026 9.8027 11.2696 11.2697 11.2780 11.2781 11.2932 11.2932 11.3029 11.3030 11.3479 11.3479 11.3539 11.3539 11.3600 11.3601 11.4000 11.4001 12.1649 12.1650 12.1839 12.1840 12.2085 12.2085 12.2174 12.2175 16.1071 16.1071 k = 0.4792 0.5000 0.4792 ( 3648 PWs) bands (ev): 2.2441 2.2441 2.2455 2.2455 2.4215 2.4215 2.4233 2.4233 5.6583 5.6583 5.6681 5.6681 5.8635 5.8635 5.8742 5.8742 9.6861 9.6862 9.6945 9.6946 9.7260 9.7261 9.7423 9.7424 9.7643 9.7643 9.7869 9.7869 9.8019 9.8019 9.8218 9.8218 11.2535 11.2535 11.2660 11.2660 11.2970 11.2970 11.3070 11.3070 11.3431 11.3432 11.3562 11.3563 11.3684 11.3684 11.3986 11.3986 12.1529 12.1530 12.1697 12.1698 12.2253 12.2254 12.2365 12.2366 16.0269 16.0269 k = 0.4688 0.5000 0.4687 ( 3642 PWs) bands (ev): 2.1956 2.1956 2.1969 2.1969 2.4624 2.4624 2.4642 2.4642 5.6215 5.6215 5.6314 5.6314 5.9289 5.9289 5.9394 5.9394 9.6616 9.6617 9.6721 9.6722 9.7194 9.7194 9.7352 9.7352 9.7721 9.7722 9.7943 9.7943 9.8211 9.8211 9.8427 9.8427 11.2355 11.2356 11.2502 11.2503 11.2955 11.2955 11.3095 11.3096 11.3380 11.3380 11.3600 11.3601 11.3775 11.3775 11.3974 11.3974 12.1413 12.1414 12.1572 12.1573 12.2452 12.2453 12.2572 12.2573 15.9307 15.9307 k = 0.4583 0.5000 0.4583 ( 3624 PWs) bands (ev): 2.1453 2.1453 2.1466 2.1466 2.5021 2.5021 2.5041 2.5041 5.5903 5.5903 5.6003 5.6003 5.9997 5.9997 6.0101 6.0101 9.6361 9.6362 9.6480 9.6480 9.7116 9.7117 9.7262 9.7263 9.7803 9.7803 9.8016 9.8016 9.8428 9.8428 9.8644 9.8644 11.2160 11.2160 11.2320 11.2321 11.2905 11.2905 11.3088 11.3089 11.3323 11.3323 11.3635 11.3636 11.3859 11.3860 11.3990 11.3991 12.1310 12.1310 12.1464 12.1465 12.2669 12.2670 12.2793 12.2794 15.8267 15.8267 k = 0.4479 0.5000 0.4479 ( 3632 PWs) bands (ev): 2.0932 2.0932 2.0945 2.0945 2.5410 2.5410 2.5432 2.5432 5.5648 5.5649 5.5748 5.5748 6.0757 6.0757 6.0859 6.0859 9.6097 9.6097 9.6225 9.6225 9.7031 9.7032 9.7168 9.7169 9.7880 9.7881 9.8088 9.8088 9.8649 9.8649 9.8863 9.8863 11.1948 11.1949 11.2117 11.2118 11.2827 11.2827 11.3044 11.3045 11.3262 11.3263 11.3640 11.3640 11.3933 11.3934 11.4053 11.4053 12.1218 12.1219 12.1371 12.1372 12.2900 12.2901 12.3026 12.3027 15.7182 15.7182 k = 0.4375 0.5000 0.4375 ( 3636 PWs) bands (ev): 2.0394 2.0394 2.0407 2.0407 2.5793 2.5793 2.5817 2.5817 5.5449 5.5449 5.5547 5.5548 6.1565 6.1565 6.1667 6.1667 9.5824 9.5824 9.5958 9.5958 9.6944 9.6944 9.7074 9.7075 9.7954 9.7954 9.8159 9.8159 9.8870 9.8870 9.9082 9.9082 11.1723 11.1724 11.1898 11.1899 11.2723 11.2723 11.2962 11.2963 11.3207 11.3208 11.3613 11.3613 11.4015 11.4016 11.4143 11.4143 12.1141 12.1141 12.1294 12.1294 12.3143 12.3144 12.3270 12.3271 15.6069 15.6069 k = 0.4271 0.5000 0.4271 ( 3652 PWs) bands (ev): 1.9840 1.9840 1.9853 1.9853 2.6172 2.6172 2.6197 2.6198 5.5303 5.5303 5.5401 5.5401 6.2420 6.2420 6.2520 6.2520 9.5540 9.5541 9.5680 9.5680 9.6853 9.6854 9.6980 9.6981 9.8023 9.8023 9.8228 9.8228 9.9087 9.9087 9.9297 9.9297 11.1485 11.1485 11.1664 11.1664 11.2598 11.2598 11.2845 11.2846 11.3159 11.3159 11.3568 11.3569 11.4107 11.4108 11.4240 11.4240 12.1075 12.1076 12.1229 12.1230 12.3398 12.3399 12.3525 12.3526 15.4943 15.4943 k = 0.4167 0.5000 0.4167 ( 3664 PWs) bands (ev): 1.9272 1.9272 1.9284 1.9284 2.6550 2.6550 2.6577 2.6577 5.5209 5.5209 5.5306 5.5306 6.3317 6.3317 6.3416 6.3416 9.5246 9.5246 9.5389 9.5389 9.6763 9.6764 9.6888 9.6889 9.8088 9.8088 9.8294 9.8294 9.9300 9.9300 9.9508 9.9508 11.1233 11.1234 11.1417 11.1417 11.2455 11.2456 11.2702 11.2703 11.3114 11.3115 11.3517 11.3517 11.4205 11.4206 11.4338 11.4338 12.1021 12.1022 12.1177 12.1178 12.3663 12.3664 12.3790 12.3791 15.3811 15.3811 k = 0.4062 0.5000 0.4062 ( 3660 PWs) bands (ev): 1.8690 1.8690 1.8703 1.8703 2.6928 2.6928 2.6957 2.6957 5.5164 5.5165 5.5260 5.5261 6.4253 6.4253 6.4352 6.4352 9.4940 9.4940 9.5085 9.5086 9.6674 9.6675 9.6799 9.6800 9.8150 9.8150 9.8359 9.8359 9.9506 9.9506 9.9714 9.9714 11.0971 11.0971 11.1158 11.1159 11.2299 11.2300 11.2540 11.2541 11.3072 11.3072 11.3464 11.3464 11.4306 11.4307 11.4437 11.4437 12.0979 12.0980 12.1137 12.1138 12.3938 12.3939 12.4064 12.4065 15.2684 15.2684 k = 0.3958 0.5000 0.3958 ( 3660 PWs) bands (ev): 1.8097 1.8097 1.8110 1.8110 2.7308 2.7308 2.7339 2.7339 5.5168 5.5169 5.5263 5.5263 6.5225 6.5225 6.5323 6.5323 9.4619 9.4620 9.4767 9.4767 9.6587 9.6587 9.6713 9.6713 9.8207 9.8208 9.8420 9.8420 9.9704 9.9705 9.9912 9.9912 11.0697 11.0697 11.0889 11.0889 11.2133 11.2133 11.2366 11.2367 11.3030 11.3030 11.3410 11.3410 11.4408 11.4408 11.4535 11.4536 12.0945 12.0946 12.1106 12.1106 12.4221 12.4222 12.4347 12.4348 15.1566 15.1566 k = 0.3854 0.5000 0.3854 ( 3652 PWs) bands (ev): 1.7496 1.7496 1.7508 1.7508 2.7693 2.7693 2.7726 2.7726 5.5219 5.5219 5.5312 5.5312 6.6228 6.6228 6.6325 6.6325 9.4283 9.4283 9.4432 9.4432 9.6502 9.6502 9.6630 9.6630 9.8261 9.8262 9.8478 9.8479 9.9894 9.9894 10.0101 10.0101 11.0413 11.0414 11.0611 11.0611 11.1960 11.1961 11.2186 11.2187 11.2988 11.2988 11.3356 11.3356 11.4510 11.4510 11.4634 11.4635 12.0919 12.0920 12.1082 12.1083 12.4511 12.4512 12.4638 12.4638 15.0465 15.0465 k = 0.3750 0.5000 0.3750 ( 3648 PWs) bands (ev): 1.6887 1.6887 1.6899 1.6899 2.8084 2.8084 2.8118 2.8118 5.5313 5.5313 5.5405 5.5405 6.7259 6.7259 6.7355 6.7356 9.3928 9.3928 9.4078 9.4079 9.6419 9.6420 9.6550 9.6550 9.8311 9.8311 9.8533 9.8533 10.0073 10.0073 10.0279 10.0280 11.0120 11.0121 11.0323 11.0323 11.1783 11.1783 11.2004 11.2004 11.2947 11.2947 11.3302 11.3302 11.4612 11.4613 11.4733 11.4734 12.0899 12.0900 12.1065 12.1065 12.4809 12.4809 12.4936 12.4936 14.9383 14.9383 k = 0.3646 0.5000 0.3646 ( 3660 PWs) bands (ev): 1.6273 1.6273 1.6285 1.6285 2.8482 2.8482 2.8518 2.8518 5.5449 5.5449 5.5540 5.5540 6.8312 6.8312 6.8408 6.8409 9.3551 9.3552 9.3703 9.3704 9.6340 9.6340 9.6475 9.6475 9.8356 9.8356 9.8583 9.8583 10.0239 10.0239 10.0446 10.0446 10.9819 10.9820 11.0027 11.0027 11.1604 11.1604 11.1824 11.1824 11.2906 11.2906 11.3249 11.3249 11.4715 11.4716 11.4833 11.4834 12.0884 12.0884 12.1052 12.1052 12.5113 12.5113 12.5241 12.5241 14.8326 14.8326 k = 0.3542 0.5000 0.3542 ( 3660 PWs) bands (ev): 1.5656 1.5656 1.5669 1.5669 2.8888 2.8888 2.8926 2.8926 5.5624 5.5624 5.5715 5.5715 6.9384 6.9384 6.9480 6.9480 9.3153 9.3154 9.3306 9.3306 9.6264 9.6265 9.6404 9.6404 9.8397 9.8398 9.8630 9.8630 10.0392 10.0393 10.0600 10.0600 10.9512 10.9513 10.9725 10.9725 11.1427 11.1427 11.1651 11.1651 11.2868 11.2868 11.3198 11.3199 11.4819 11.4820 11.4936 11.4936 12.0872 12.0873 12.1042 12.1043 12.5425 12.5425 12.5554 12.5555 14.7296 14.7296 k = 0.3438 0.5000 0.3437 ( 3660 PWs) bands (ev): 1.5039 1.5039 1.5051 1.5051 2.9304 2.9304 2.9344 2.9344 5.5838 5.5838 5.5928 5.5928 7.0469 7.0469 7.0565 7.0566 9.2731 9.2731 9.2884 9.2884 9.6193 9.6193 9.6338 9.6338 9.8434 9.8434 9.8672 9.8672 10.0532 10.0532 10.0739 10.0740 10.9201 10.9201 10.9417 10.9417 11.1254 11.1254 11.1487 11.1488 11.2832 11.2832 11.3151 11.3151 11.4924 11.4925 11.5041 11.5042 12.0863 12.0864 12.1035 12.1035 12.5745 12.5745 12.5876 12.5877 14.6297 14.6297 k = 0.3333 0.5000 0.3333 ( 3672 PWs) bands (ev): 1.4423 1.4423 1.4435 1.4435 2.9730 2.9730 2.9773 2.9773 5.6088 5.6088 5.6177 5.6177 7.1563 7.1564 7.1660 7.1660 9.2282 9.2282 9.2435 9.2436 9.6126 9.6126 9.6276 9.6277 9.8466 9.8466 9.8710 9.8710 10.0656 10.0656 10.0864 10.0864 10.8886 10.8886 10.9105 10.9106 11.1086 11.1087 11.1335 11.1336 11.2800 11.2800 11.3107 11.3108 11.5031 11.5031 11.5149 11.5149 12.0855 12.0855 12.1028 12.1028 12.6073 12.6073 12.6207 12.6208 14.5332 14.5332 k = 0.3229 0.5000 0.3229 ( 3668 PWs) bands (ev): 1.3810 1.3810 1.3822 1.3822 3.0168 3.0168 3.0212 3.0212 5.6373 5.6373 5.6461 5.6461 7.2661 7.2661 7.2758 7.2758 9.1806 9.1806 9.1959 9.1960 9.6063 9.6064 9.6220 9.6221 9.8494 9.8495 9.8743 9.8744 10.0766 10.0766 10.0974 10.0974 10.8570 10.8571 10.8792 10.8792 11.0927 11.0927 11.1197 11.1197 11.2773 11.2773 11.3071 11.3071 11.5140 11.5140 11.5261 11.5261 12.0847 12.0848 12.1021 12.1021 12.6411 12.6412 12.6549 12.6549 14.4402 14.4402 k = 0.3125 0.5000 0.3125 ( 3662 PWs) bands (ev): 1.3202 1.3202 1.3214 1.3214 3.0617 3.0617 3.0664 3.0664 5.6689 5.6689 5.6777 5.6778 7.3758 7.3758 7.3856 7.3856 9.1301 9.1301 9.1454 9.1455 9.6006 9.6006 9.6169 9.6169 9.8518 9.8519 9.8773 9.8773 10.0860 10.0861 10.1069 10.1069 10.8255 10.8255 10.8477 10.8478 11.0777 11.0777 11.1072 11.1072 11.2752 11.2753 11.3042 11.3042 11.5251 11.5252 11.5377 11.5377 12.0839 12.0839 12.1013 12.1014 12.6760 12.6761 12.6902 12.6902 14.3509 14.3509 k = 0.3021 0.5000 0.3021 ( 3654 PWs) bands (ev): 1.2601 1.2601 1.2613 1.2613 3.1077 3.1077 3.1127 3.1127 5.7036 5.7036 5.7125 5.7125 7.4847 7.4848 7.4946 7.4947 9.0766 9.0766 9.0920 9.0920 9.5952 9.5953 9.6122 9.6123 9.8538 9.8538 9.8797 9.8798 10.0940 10.0940 10.1148 10.1148 10.7940 10.7940 10.8163 10.8164 11.0636 11.0636 11.0960 11.0960 11.2740 11.2741 11.3024 11.3024 11.5366 11.5366 11.5497 11.5497 12.0828 12.0829 12.1004 12.1004 12.7121 12.7122 12.7267 12.7268 14.2656 14.2656 k = 0.2917 0.5000 0.2917 ( 3656 PWs) bands (ev): 1.2009 1.2009 1.2021 1.2021 3.1550 3.1550 3.1602 3.1602 5.7412 5.7412 5.7501 5.7501 7.5925 7.5925 7.6025 7.6025 9.0201 9.0202 9.0354 9.0355 9.5903 9.5903 9.6079 9.6080 9.8554 9.8554 9.8818 9.8818 10.1004 10.1005 10.1213 10.1213 10.7628 10.7628 10.7850 10.7850 11.0503 11.0503 11.0858 11.0859 11.2737 11.2737 11.3018 11.3018 11.5482 11.5483 11.5621 11.5621 12.0815 12.0815 12.0991 12.0991 12.7496 12.7496 12.7646 12.7647 14.1843 14.1843 k = 0.2812 0.5000 0.2812 ( 3660 PWs) bands (ev): 1.1427 1.1427 1.1439 1.1439 3.2035 3.2035 3.2089 3.2089 5.7815 5.7816 5.7905 5.7905 7.6983 7.6983 7.7086 7.7086 8.9608 8.9608 8.9760 8.9760 9.5856 9.5857 9.6040 9.6040 9.8567 9.8567 9.8834 9.8835 10.1055 10.1056 10.1263 10.1263 10.7319 10.7319 10.7540 10.7540 11.0379 11.0379 11.0766 11.0766 11.2745 11.2745 11.3025 11.3026 11.5601 11.5602 11.5749 11.5750 12.0798 12.0798 12.0975 12.0975 12.7884 12.7885 12.8041 12.8041 14.1072 14.1072 k = 0.2708 0.5000 0.2708 ( 3672 PWs) bands (ev): 1.0857 1.0857 1.0868 1.0868 3.2532 3.2532 3.2588 3.2588 5.8244 5.8244 5.8334 5.8334 7.8017 7.8018 7.8123 7.8123 8.8986 8.8986 8.9136 8.9136 9.5812 9.5813 9.6003 9.6004 9.8577 9.8577 9.8847 9.8848 10.1094 10.1094 10.1300 10.1300 10.7015 10.7015 10.7232 10.7233 11.0262 11.0262 11.0679 11.0680 11.2766 11.2766 11.3048 11.3049 11.5724 11.5724 11.5882 11.5882 12.0776 12.0777 12.0954 12.0954 12.8289 12.8289 12.8452 12.8452 14.0344 14.0344 k = 0.2604 0.5000 0.2604 ( 3668 PWs) bands (ev): 1.0299 1.0299 1.0310 1.0310 3.3041 3.3041 3.3099 3.3099 5.8695 5.8695 5.8788 5.8788 7.9020 7.9021 7.9129 7.9129 8.8339 8.8339 8.8488 8.8488 9.5771 9.5771 9.5969 9.5969 9.8586 9.8586 9.8858 9.8858 10.1121 10.1121 10.1326 10.1326 10.6717 10.6717 10.6931 10.6931 11.0151 11.0151 11.0597 11.0598 11.2802 11.2803 11.3089 11.3089 11.5849 11.5850 11.6019 11.6019 12.0750 12.0751 12.0929 12.0929 12.8710 12.8711 12.8881 12.8881 13.9661 13.9661 k = 0.2500 0.5000 0.2500 ( 3672 PWs) bands (ev): 0.9755 0.9755 0.9766 0.9766 3.3561 3.3561 3.3621 3.3621 5.9169 5.9169 5.9263 5.9263 7.9984 7.9984 8.0098 8.0098 8.7671 8.7671 8.7817 8.7817 9.5731 9.5731 9.5935 9.5936 9.8594 9.8594 9.8866 9.8867 10.1138 10.1138 10.1340 10.1341 10.6426 10.6426 10.6636 10.6636 11.0045 11.0045 11.0516 11.0517 11.2855 11.2855 11.3146 11.3147 11.5977 11.5978 11.6159 11.6159 12.0718 12.0718 12.0898 12.0899 12.9147 12.9148 12.9327 12.9327 13.9023 13.9023 k = 0.2396 0.5000 0.2396 ( 3670 PWs) bands (ev): 0.9227 0.9227 0.9237 0.9237 3.4091 3.4091 3.4154 3.4154 5.9661 5.9661 5.9758 5.9758 8.0899 8.0899 8.1020 8.1020 8.6990 8.6990 8.7131 8.7131 9.5691 9.5691 9.5902 9.5903 9.8602 9.8602 9.8874 9.8874 10.1145 10.1146 10.1344 10.1345 10.6143 10.6144 10.6348 10.6348 10.9941 10.9941 11.0434 11.0435 11.2925 11.2925 11.3220 11.3221 11.6108 11.6108 11.6302 11.6302 12.0680 12.0681 12.0863 12.0863 12.9599 12.9599 12.9789 12.9790 13.8432 13.8432 k = 0.2292 0.5000 0.2292 ( 3682 PWs) bands (ev): 0.8715 0.8715 0.8725 0.8725 3.4632 3.4632 3.4696 3.4696 6.0171 6.0171 6.0272 6.0272 8.1748 8.1748 8.1880 8.1880 8.6309 8.6309 8.6443 8.6443 9.5649 9.5650 9.5868 9.5868 9.8610 9.8610 9.8880 9.8880 10.1143 10.1143 10.1338 10.1338 10.5869 10.5869 10.6068 10.6068 10.9839 10.9839 11.0349 11.0349 11.3011 11.3011 11.3310 11.3310 11.6240 11.6240 11.6448 11.6448 12.0636 12.0636 12.0821 12.0821 13.0062 13.0062 13.0265 13.0265 13.7890 13.7890 k = 0.2188 0.5000 0.2187 ( 3674 PWs) bands (ev): 0.8220 0.8220 0.8230 0.8230 3.5181 3.5181 3.5248 3.5248 6.0697 6.0697 6.0801 6.0801 8.2493 8.2493 8.2649 8.2649 8.5663 8.5663 8.5786 8.5787 9.5606 9.5607 9.5832 9.5832 9.8620 9.8620 9.8886 9.8887 10.1132 10.1132 10.1321 10.1322 10.5606 10.5606 10.5798 10.5798 10.9738 10.9738 11.0261 11.0261 11.3113 11.3114 11.3415 11.3416 11.6374 11.6374 11.6596 11.6597 12.0586 12.0586 12.0773 12.0774 13.0530 13.0530 13.0749 13.0750 13.7400 13.7400 k = 0.2083 0.5000 0.2083 ( 3672 PWs) bands (ev): 0.7744 0.7744 0.7753 0.7753 3.5739 3.5739 3.5807 3.5807 6.1234 6.1235 6.1343 6.1343 8.3017 8.3018 8.3223 8.3223 8.5157 8.5157 8.5275 8.5275 9.5560 9.5560 9.5793 9.5793 9.8632 9.8632 9.8893 9.8894 10.1112 10.1112 10.1294 10.1294 10.5355 10.5355 10.5539 10.5539 10.9637 10.9637 11.0169 11.0169 11.3231 11.3231 11.3534 11.3534 11.6510 11.6511 11.6747 11.6747 12.0529 12.0530 12.0720 12.0721 13.0992 13.0992 13.1232 13.1233 13.6966 13.6966 k = 0.1979 0.5000 0.1979 ( 3668 PWs) bands (ev): 0.7286 0.7286 0.7295 0.7295 3.6302 3.6302 3.6373 3.6373 6.1782 6.1782 6.1896 6.1896 8.3055 8.3055 8.3306 8.3306 8.5070 8.5071 8.5197 8.5197 9.5509 9.5510 9.5749 9.5749 9.8646 9.8646 9.8901 9.8901 10.1080 10.1081 10.1255 10.1255 10.5117 10.5117 10.5293 10.5293 10.9537 10.9538 11.0074 11.0074 11.3360 11.3361 11.3663 11.3664 11.6648 11.6648 11.6899 11.6899 12.0467 12.0467 12.0662 12.0662 13.1433 13.1433 13.1700 13.1700 13.6593 13.6593 k = 0.1875 0.5000 0.1875 ( 3678 PWs) bands (ev): 0.6848 0.6848 0.6857 0.6857 3.6871 3.6871 3.6944 3.6944 6.2337 6.2337 6.2457 6.2457 8.2596 8.2596 8.2836 8.2836 8.5458 8.5458 8.5572 8.5572 9.5452 9.5453 9.5700 9.5700 9.8661 9.8662 9.8908 9.8909 10.1037 10.1038 10.1203 10.1203 10.4894 10.4894 10.5061 10.5061 10.9438 10.9438 10.9977 10.9977 11.3498 11.3499 11.3801 11.3802 11.6785 11.6785 11.7051 11.7051 12.0398 12.0399 12.0598 12.0598 13.1833 13.1833 13.2130 13.2130 13.6288 13.6288 k = 0.1771 0.5000 0.1771 ( 3670 PWs) bands (ev): 0.6431 0.6431 0.6439 0.6439 3.7443 3.7443 3.7518 3.7518 6.2896 6.2896 6.3023 6.3023 8.1934 8.1934 8.2162 8.2162 8.5991 8.5991 8.6097 8.6097 9.5389 9.5389 9.5644 9.5645 9.8678 9.8679 9.8917 9.8917 10.0983 10.0983 10.1138 10.1138 10.4688 10.4688 10.4845 10.4846 10.9340 10.9340 10.9879 10.9879 11.3645 11.3646 11.3947 11.3947 11.6923 11.6923 11.7204 11.7204 12.0326 12.0326 12.0530 12.0530 13.2166 13.2166 13.2497 13.2497 13.6063 13.6063 k = 0.1667 0.5000 0.1667 ( 3658 PWs) bands (ev): 0.6034 0.6034 0.6042 0.6042 3.8015 3.8016 3.8093 3.8093 6.3455 6.3455 6.3590 6.3590 8.1208 8.1208 8.1430 8.1430 8.6530 8.6531 8.6634 8.6634 9.5318 9.5318 9.5582 9.5582 9.8696 9.8696 9.8924 9.8924 10.0915 10.0915 10.1060 10.1060 10.4499 10.4499 10.4647 10.4648 10.9246 10.9246 10.9782 10.9782 11.3796 11.3797 11.4096 11.4097 11.7061 11.7061 11.7356 11.7356 12.0249 12.0250 12.0458 12.0459 13.2411 13.2411 13.2772 13.2773 13.5920 13.5920 k = 0.1562 0.5000 0.1562 ( 3674 PWs) bands (ev): 0.5659 0.5659 0.5666 0.5666 3.8587 3.8587 3.8666 3.8666 6.4009 6.4009 6.4153 6.4153 8.0463 8.0463 8.0684 8.0684 8.7040 8.7040 8.7143 8.7143 9.5237 9.5237 9.5510 9.5510 9.8712 9.8712 9.8929 9.8930 10.0834 10.0834 10.0968 10.0969 10.4328 10.4328 10.4467 10.4467 10.9153 10.9153 10.9686 10.9686 11.3949 11.3949 11.4247 11.4248 11.7197 11.7197 11.7505 11.7505 12.0169 12.0169 12.0383 12.0384 13.2555 13.2555 13.2938 13.2938 13.5850 13.5850 k = 0.1458 0.5000 0.1458 ( 3670 PWs) bands (ev): 0.5307 0.5307 0.5313 0.5313 3.9154 3.9154 3.9235 3.9235 6.4555 6.4555 6.4708 6.4708 7.9721 7.9721 7.9943 7.9943 8.7509 8.7509 8.7612 8.7613 9.5147 9.5147 9.5429 9.5430 9.8727 9.8727 9.8932 9.8932 10.0742 10.0742 10.0866 10.0867 10.4174 10.4174 10.4307 10.4307 10.9065 10.9065 10.9594 10.9594 11.4103 11.4103 11.4399 11.4400 11.7331 11.7331 11.7652 11.7653 12.0087 12.0087 12.0308 12.0308 13.2610 13.2610 13.3000 13.3000 13.5824 13.5824 k = 0.1354 0.5000 0.1354 ( 3662 PWs) bands (ev): 0.4976 0.4976 0.4982 0.4982 3.9715 3.9715 3.9797 3.9797 6.5087 6.5087 6.5251 6.5251 7.8993 7.8993 7.9219 7.9219 8.7933 8.7933 8.8038 8.8038 9.5046 9.5046 9.5338 9.5339 9.8738 9.8738 9.8931 9.8931 10.0639 10.0640 10.0756 10.0757 10.4038 10.4038 10.4165 10.4166 10.8982 10.8982 10.9506 10.9506 11.4255 11.4255 11.4549 11.4550 11.7463 11.7463 11.7795 11.7796 12.0004 12.0005 12.0234 12.0234 13.2597 13.2597 13.2984 13.2984 13.5796 13.5796 k = 0.1250 0.5000 0.1250 ( 3658 PWs) bands (ev): 0.4669 0.4669 0.4674 0.4674 4.0265 4.0265 4.0349 4.0349 6.5598 6.5598 6.5774 6.5774 7.8290 7.8290 7.8522 7.8522 8.8312 8.8312 8.8420 8.8420 9.4935 9.4935 9.5236 9.5236 9.8744 9.8745 9.8925 9.8925 10.0531 10.0531 10.0642 10.0642 10.3918 10.3918 10.4043 10.4043 10.8905 10.8905 10.9424 10.9424 11.4404 11.4404 11.4696 11.4697 11.7590 11.7590 11.7933 11.7933 11.9923 11.9923 12.0162 12.0162 13.2541 13.2541 13.2920 13.2920 13.5730 13.5730 k = 0.1146 0.5000 0.1146 ( 3654 PWs) bands (ev): 0.4385 0.4385 0.4390 0.4390 4.0800 4.0800 4.0886 4.0886 6.6083 6.6083 6.6271 6.6271 7.7623 7.7623 7.7860 7.7860 8.8648 8.8648 8.8760 8.8760 9.4813 9.4813 9.5122 9.5123 9.8745 9.8745 9.8912 9.8913 10.0422 10.0422 10.0527 10.0527 10.3811 10.3812 10.3937 10.3937 10.8834 10.8834 10.9348 10.9348 11.4548 11.4549 11.4838 11.4839 11.7710 11.7711 11.8062 11.8062 11.9843 11.9844 12.0095 12.0095 13.2462 13.2463 13.2833 13.2833 13.5607 13.5607 k = 0.1042 0.5000 0.1042 ( 3666 PWs) bands (ev): 0.4124 0.4124 0.4129 0.4129 4.1316 4.1316 4.1404 4.1404 6.6533 6.6533 6.6734 6.6734 7.6999 7.6999 7.7244 7.7244 8.8942 8.8942 8.9059 8.9059 9.4680 9.4681 9.4997 9.4997 9.8738 9.8738 9.8893 9.8893 10.0315 10.0315 10.0416 10.0416 10.3718 10.3718 10.3845 10.3845 10.8769 10.8769 10.9277 10.9277 11.4686 11.4686 11.4973 11.4974 11.7823 11.7823 11.8181 11.8181 11.9768 11.9768 12.0034 12.0034 13.2377 13.2377 13.2739 13.2739 13.5426 13.5426 k = 0.0938 0.5000 0.0937 ( 3664 PWs) bands (ev): 0.3888 0.3888 0.3892 0.3892 4.1809 4.1809 4.1898 4.1898 6.6942 6.6942 6.7156 6.7156 7.6431 7.6431 7.6681 7.6682 8.9197 8.9198 8.9322 8.9322 9.4540 9.4540 9.4861 9.4862 9.8725 9.8725 9.8867 9.8867 10.0217 10.0217 10.0313 10.0314 10.3637 10.3637 10.3767 10.3767 10.8711 10.8711 10.9214 10.9214 11.4817 11.4817 11.5102 11.5102 11.7925 11.7925 11.8287 11.8287 11.9699 11.9699 11.9984 11.9984 13.2295 13.2295 13.2648 13.2649 13.5200 13.5200 k = 0.0833 0.5000 0.0833 ( 3668 PWs) bands (ev): 0.3676 0.3676 0.3679 0.3679 4.2273 4.2273 4.2363 4.2363 6.7302 6.7302 6.7527 6.7527 7.5926 7.5926 7.6182 7.6182 8.9416 8.9416 8.9551 8.9551 9.4394 9.4395 9.4718 9.4718 9.8706 9.8706 9.8835 9.8835 10.0129 10.0129 10.0222 10.0222 10.3566 10.3566 10.3700 10.3700 10.8659 10.8659 10.9158 10.9158 11.4939 11.4940 11.5221 11.5222 11.8014 11.8014 11.8378 11.8378 11.9638 11.9638 11.9945 11.9945 13.2222 13.2222 13.2567 13.2567 13.4946 13.4946 k = 0.0729 0.5000 0.0729 ( 3668 PWs) bands (ev): 0.3488 0.3488 0.3491 0.3491 4.2702 4.2702 4.2793 4.2793 6.7607 6.7607 6.7840 6.7840 7.5494 7.5494 7.5751 7.5751 8.9601 8.9601 8.9747 8.9747 9.4246 9.4247 9.4570 9.4570 9.8682 9.8682 9.8799 9.8799 10.0054 10.0054 10.0144 10.0144 10.3505 10.3505 10.3643 10.3643 10.8615 10.8615 10.9110 10.9110 11.5052 11.5053 11.5332 11.5332 11.8088 11.8088 11.8452 11.8452 11.9588 11.9588 11.9919 11.9919 13.2164 13.2164 13.2497 13.2497 13.4679 13.4679 k = 0.0625 0.5000 0.0625 ( 3652 PWs) bands (ev): 0.3325 0.3325 0.3328 0.3328 4.3091 4.3091 4.3183 4.3183 6.7854 6.7854 6.8090 6.8090 7.5139 7.5139 7.5395 7.5395 8.9755 8.9756 8.9915 8.9915 9.4102 9.4102 9.4423 9.4423 9.8657 9.8657 9.8761 9.8761 9.9992 9.9992 10.0081 10.0081 10.3455 10.3455 10.3596 10.3596 10.8577 10.8577 10.9068 10.9068 11.5155 11.5156 11.5432 11.5433 11.8147 11.8148 11.8509 11.8509 11.9551 11.9551 11.9907 11.9907 13.2122 13.2122 13.2440 13.2441 13.4416 13.4416 k = 0.0521 0.5000 0.0521 ( 3652 PWs) bands (ev): 0.3187 0.3187 0.3189 0.3189 4.3433 4.3433 4.3526 4.3526 6.8042 6.8042 6.8277 6.8277 7.4864 7.4864 7.5112 7.5113 8.9881 8.9881 9.0054 9.0054 9.3964 9.3965 9.4281 9.4281 9.8632 9.8633 9.8722 9.8722 9.9941 9.9942 10.0030 10.0031 10.3412 10.3412 10.3556 10.3556 10.8545 10.8545 10.9033 10.9033 11.5245 11.5246 11.5520 11.5520 11.8190 11.8190 11.8547 11.8547 11.9525 11.9525 11.9905 11.9905 13.2098 13.2098 13.2395 13.2395 13.4169 13.4169 k = 0.0417 0.5000 0.0417 ( 3652 PWs) bands (ev): 0.3073 0.3073 0.3075 0.3075 4.3723 4.3723 4.3816 4.3816 6.8176 6.8176 6.8406 6.8406 7.4664 7.4664 7.4901 7.4901 8.9980 8.9980 9.0168 9.0168 9.3841 9.3841 9.4153 9.4153 9.8611 9.8611 9.8685 9.8686 9.9902 9.9902 9.9993 9.9993 10.3377 10.3377 10.3523 10.3523 10.8519 10.8519 10.9005 10.9005 11.5322 11.5322 11.5595 11.5595 11.8219 11.8219 11.8570 11.8571 11.9510 11.9510 11.9911 11.9911 13.2092 13.2092 13.2358 13.2358 13.3950 13.3950 k = 0.0312 0.5000 0.0312 ( 3644 PWs) bands (ev): 0.2985 0.2985 0.2987 0.2987 4.3955 4.3956 4.4049 4.4049 6.8264 6.8264 6.8485 6.8485 7.4529 7.4529 7.4751 7.4751 9.0055 9.0055 9.0256 9.0256 9.3737 9.3738 9.4044 9.4044 9.8595 9.8595 9.8653 9.8653 9.9873 9.9873 9.9965 9.9966 10.3351 10.3351 10.3499 10.3499 10.8499 10.8499 10.8983 10.8983 11.5384 11.5384 11.5655 11.5655 11.8237 11.8237 11.8582 11.8583 11.9504 11.9504 11.9922 11.9922 13.2103 13.2104 13.2325 13.2326 13.3769 13.3769 k = 0.0208 0.5000 0.0208 ( 3644 PWs) bands (ev): 0.2922 0.2922 0.2923 0.2923 4.4125 4.4125 4.4218 4.4218 6.8317 6.8317 6.8528 6.8528 7.4447 7.4447 7.4654 7.4654 9.0107 9.0107 9.0318 9.0318 9.3659 9.3659 9.3961 9.3961 9.8585 9.8585 9.8626 9.8626 9.9853 9.9853 9.9947 9.9947 10.3332 10.3332 10.3481 10.3481 10.8485 10.8485 10.8967 10.8967 11.5429 11.5429 11.5699 11.5699 11.8247 11.8247 11.8587 11.8587 11.9502 11.9502 11.9932 11.9932 13.2130 13.2130 13.2292 13.2293 13.3634 13.3634 k = 0.0104 0.5000 0.0104 ( 3660 PWs) bands (ev): 0.2884 0.2884 0.2885 0.2885 4.4228 4.4228 4.4322 4.4322 6.8343 6.8343 6.8547 6.8547 7.4404 7.4404 7.4600 7.4600 9.0137 9.0137 9.0356 9.0356 9.3610 9.3610 9.3909 9.3909 9.8582 9.8582 9.8605 9.8606 9.9841 9.9841 9.9936 9.9936 10.3320 10.3320 10.3470 10.3470 10.8475 10.8475 10.8957 10.8957 11.5456 11.5456 11.5725 11.5725 11.8250 11.8250 11.8587 11.8587 11.9502 11.9502 11.9939 11.9939 13.2165 13.2166 13.2256 13.2256 13.3551 13.3552 k = 0.0000 0.5000-0.0000 ( 3668 PWs) bands (ev): 0.2872 0.2872 0.2872 0.2872 4.4263 4.4263 4.4356 4.4356 6.8351 6.8351 6.8552 6.8552 7.4391 7.4391 7.4583 7.4583 9.0147 9.0147 9.0368 9.0368 9.3593 9.3593 9.3891 9.3891 9.8583 9.8583 9.8596 9.8596 9.9837 9.9837 9.9932 9.9932 10.3316 10.3316 10.3466 10.3466 10.8472 10.8472 10.8954 10.8954 11.5465 11.5465 11.5734 11.5734 11.8251 11.8251 11.8587 11.8587 11.9502 11.9502 11.9942 11.9942 13.2195 13.2195 13.2227 13.2227 13.3524 13.3524 k = 0.5000 0.5000-0.0000 ( 3628 PWs) bands (ev): 1.2637 1.2637 1.2638 1.2638 2.5454 2.5454 2.5454 2.5454 7.4728 7.4728 7.4728 7.4728 7.9635 7.9635 7.9635 7.9635 8.1313 8.1313 8.1313 8.1313 9.0700 9.0700 9.0701 9.0701 10.0658 10.0658 10.0658 10.0658 10.5047 10.5047 10.5048 10.5048 10.7814 10.7814 10.7814 10.7814 10.8741 10.8741 10.8742 10.8742 11.0280 11.0280 11.0281 11.0281 11.5810 11.5810 11.5811 11.5811 12.3529 12.3529 12.3530 12.3530 12.7120 12.7120 12.7121 12.7121 13.7409 13.7409 k = 0.5000 0.5000 0.0147 ( 3652 PWs) bands (ev): 1.2649 1.2649 1.2649 1.2649 2.5460 2.5460 2.5461 2.5461 7.4443 7.4444 7.4480 7.4480 7.9880 7.9880 7.9905 7.9905 8.1265 8.1265 8.1275 8.1275 9.0704 9.0705 9.0726 9.0727 10.0643 10.0643 10.0646 10.0646 10.5012 10.5013 10.5047 10.5048 10.7816 10.7817 10.7824 10.7824 10.8730 10.8730 10.8774 10.8775 11.0276 11.0277 11.0290 11.0291 11.5806 11.5807 11.5807 11.5808 12.3510 12.3510 12.3515 12.3516 12.7113 12.7114 12.7120 12.7121 13.7424 13.7436 k = 0.5000 0.5000 0.0294 ( 3652 PWs) bands (ev): 1.2682 1.2682 1.2683 1.2683 2.5479 2.5479 2.5481 2.5481 7.3756 7.3757 7.3815 7.3816 8.0519 8.0520 8.0532 8.0532 8.1156 8.1156 8.1161 8.1161 9.0741 9.0741 9.0784 9.0784 10.0604 10.0604 10.0609 10.0610 10.4946 10.4947 10.5015 10.5016 10.7834 10.7834 10.7850 10.7851 10.8744 10.8744 10.8830 10.8831 11.0285 11.0286 11.0311 11.0312 11.5798 11.5799 11.5799 11.5800 12.3459 12.3459 12.3470 12.3471 12.7099 12.7100 12.7114 12.7115 13.7484 13.7489 k = 0.5000 0.5000 0.0441 ( 3652 PWs) bands (ev): 1.2739 1.2739 1.2739 1.2739 2.5511 2.5511 2.5514 2.5514 7.2857 7.2857 7.2928 7.2928 8.0793 8.0793 8.0885 8.0885 8.1435 8.1435 8.1537 8.1537 9.0807 9.0807 9.0869 9.0869 10.0540 10.0540 10.0549 10.0549 10.4851 10.4852 10.4951 10.4952 10.7865 10.7866 10.7892 10.7892 10.8781 10.8782 10.8905 10.8906 11.0305 11.0306 11.0343 11.0344 11.5784 11.5785 11.5785 11.5786 12.3380 12.3380 12.3396 12.3397 12.7079 12.7080 12.7101 12.7102 13.7590 13.7591 k = 0.5000 0.5000 0.0588 ( 3652 PWs) bands (ev): 1.2817 1.2817 1.2818 1.2818 2.5556 2.5556 2.5559 2.5559 7.1856 7.1856 7.1934 7.1934 8.0511 8.0511 8.0597 8.0598 8.2377 8.2377 8.2462 8.2463 9.0899 9.0900 9.0979 9.0980 10.0455 10.0455 10.0466 10.0466 10.4730 10.4730 10.4857 10.4858 10.7910 10.7911 10.7949 10.7949 10.8841 10.8842 10.8997 10.8998 11.0335 11.0336 11.0385 11.0386 11.5765 11.5766 11.5767 11.5768 12.3277 12.3277 12.3297 12.3298 12.7052 12.7053 12.7080 12.7081 13.7744 13.7744 k = 0.5000 0.5000 0.0735 ( 3644 PWs) bands (ev): 1.2918 1.2918 1.2919 1.2919 2.5612 2.5612 2.5616 2.5616 7.0808 7.0808 7.0889 7.0890 8.0120 8.0121 8.0213 8.0214 8.3373 8.3373 8.3454 8.3454 9.1016 9.1017 9.1111 9.1112 10.0350 10.0350 10.0363 10.0363 10.4586 10.4586 10.4736 10.4737 10.7970 10.7970 10.8022 10.8022 10.8922 10.8922 10.9103 10.9104 11.0377 11.0378 11.0436 11.0437 11.5741 11.5742 11.5743 11.5744 12.3155 12.3155 12.3179 12.3179 12.7016 12.7017 12.7050 12.7051 13.7945 13.7946 k = 0.5000 0.5000 0.0882 ( 3644 PWs) bands (ev): 1.3042 1.3042 1.3042 1.3042 2.5679 2.5679 2.5684 2.5684 6.9739 6.9740 6.9824 6.9824 7.9651 7.9652 7.9752 7.9752 8.4381 8.4382 8.4459 8.4459 9.1153 9.1153 9.1260 9.1261 10.0228 10.0229 10.0243 10.0243 10.4421 10.4422 10.4591 10.4592 10.8042 10.8042 10.8109 10.8110 10.9019 10.9020 10.9220 10.9220 11.0429 11.0430 11.0496 11.0497 11.5713 11.5714 11.5714 11.5715 12.3019 12.3019 12.3045 12.3045 12.6972 12.6973 12.7010 12.7011 13.8196 13.8197 k = 0.5000 0.5000 0.1029 ( 3644 PWs) bands (ev): 1.3187 1.3187 1.3188 1.3188 2.5756 2.5756 2.5762 2.5762 6.8667 6.8667 6.8754 6.8754 7.9113 7.9113 7.9220 7.9220 8.5383 8.5383 8.5458 8.5458 9.1306 9.1307 9.1424 9.1425 10.0094 10.0094 10.0109 10.0109 10.4241 10.4241 10.4426 10.4427 10.8128 10.8128 10.8211 10.8212 10.9131 10.9132 10.9345 10.9346 11.0493 11.0494 11.0566 11.0567 11.5680 11.5681 11.5681 11.5682 12.2874 12.2874 12.2901 12.2902 12.6917 12.6918 12.6959 12.6960 13.8498 13.8498 k = 0.5000 0.5000 0.1176 ( 3648 PWs) bands (ev): 1.3354 1.3354 1.3355 1.3355 2.5841 2.5842 2.5849 2.5849 6.7601 6.7601 6.7690 6.7690 7.8513 7.8513 7.8624 7.8625 8.6366 8.6366 8.6437 8.6437 9.1473 9.1474 9.1599 9.1600 9.9948 9.9949 9.9964 9.9965 10.4045 10.4046 10.4243 10.4244 10.8227 10.8227 10.8328 10.8328 10.9256 10.9257 10.9478 10.9479 11.0568 11.0568 11.0644 11.0645 11.5643 11.5644 11.5645 11.5645 12.2724 12.2724 12.2752 12.2753 12.6851 12.6852 12.6894 12.6895 13.8852 13.8852 k = 0.5000 0.5000 0.1324 ( 3648 PWs) bands (ev): 1.3542 1.3542 1.3544 1.3544 2.5934 2.5934 2.5942 2.5942 6.6549 6.6550 6.6639 6.6639 7.7856 7.7857 7.7971 7.7972 8.7322 8.7322 8.7390 8.7391 9.1652 9.1652 9.1784 9.1785 9.9797 9.9797 9.9813 9.9813 10.3838 10.3838 10.4045 10.4046 10.8339 10.8339 10.8458 10.8458 10.9392 10.9393 10.9617 10.9618 11.0654 11.0655 11.0731 11.0732 11.5602 11.5603 11.5604 11.5604 12.2574 12.2574 12.2602 12.2602 12.6774 12.6775 12.6818 12.6818 13.9260 13.9260 k = 0.5000 0.5000 0.1471 ( 3652 PWs) bands (ev): 1.3752 1.3752 1.3754 1.3754 2.6032 2.6032 2.6041 2.6041 6.5518 6.5518 6.5609 6.5609 7.7149 7.7149 7.7267 7.7267 8.8245 8.8246 8.8310 8.8310 9.1839 9.1839 9.1977 9.1977 9.9641 9.9641 9.9657 9.9658 10.3620 10.3620 10.3834 10.3835 10.8463 10.8464 10.8601 10.8601 10.9538 10.9539 10.9762 10.9762 11.0751 11.0752 11.0827 11.0828 11.5558 11.5559 11.5560 11.5561 12.2425 12.2425 12.2452 12.2452 12.6683 12.6684 12.6726 12.6727 13.9722 13.9722 k = 0.5000 0.5000 0.1618 ( 3652 PWs) bands (ev): 1.3983 1.3983 1.3985 1.3985 2.6134 2.6134 2.6144 2.6144 6.4512 6.4512 6.4604 6.4604 7.6397 7.6397 7.6516 7.6517 8.9131 8.9131 8.9192 8.9192 9.2034 9.2035 9.2175 9.2176 9.9485 9.9485 9.9501 9.9501 10.3393 10.3394 10.3613 10.3613 10.8600 10.8600 10.8756 10.8756 10.9693 10.9694 10.9911 10.9912 11.0860 11.0861 11.0931 11.0932 11.5510 11.5511 11.5513 11.5514 12.2281 12.2281 12.2305 12.2306 12.6579 12.6580 12.6620 12.6621 14.0240 14.0240 k = 0.5000 0.5000 0.1765 ( 3652 PWs) bands (ev): 1.4235 1.4235 1.4237 1.4237 2.6236 2.6236 2.6247 2.6248 6.3536 6.3536 6.3629 6.3629 7.5606 7.5606 7.5726 7.5726 8.9974 8.9974 9.0030 9.0030 9.2236 9.2236 9.2380 9.2380 9.9330 9.9330 9.9345 9.9346 10.3159 10.3159 10.3382 10.3383 10.8747 10.8747 10.8921 10.8921 10.9856 10.9856 11.0065 11.0065 11.0980 11.0980 11.1043 11.1044 11.5459 11.5460 11.5463 11.5464 12.2142 12.2143 12.2164 12.2165 12.6462 12.6463 12.6500 12.6501 14.0814 14.0814 k = 0.5000 0.5000 0.1912 ( 3656 PWs) bands (ev): 1.4507 1.4507 1.4509 1.4509 2.6338 2.6338 2.6350 2.6350 6.2596 6.2596 6.2690 6.2690 7.4780 7.4780 7.4900 7.4900 9.0770 9.0771 9.0822 9.0822 9.2443 9.2443 9.2589 9.2589 9.9178 9.9178 9.9193 9.9194 10.2918 10.2919 10.3143 10.3144 10.8904 10.8904 10.9096 10.9096 11.0026 11.0026 11.0222 11.0223 11.1110 11.1110 11.1162 11.1163 11.5404 11.5405 11.5410 11.5411 12.2011 12.2011 12.2029 12.2029 12.6331 12.6332 12.6364 12.6365 14.1443 14.1443 k = 0.5000 0.5000 0.2059 ( 3664 PWs) bands (ev): 1.4799 1.4799 1.4801 1.4802 2.6435 2.6435 2.6448 2.6448 6.1695 6.1695 6.1790 6.1790 7.3926 7.3926 7.4045 7.4045 9.1517 9.1518 9.1564 9.1564 9.2656 9.2656 9.2803 9.2803 9.9032 9.9032 9.9047 9.9047 10.2672 10.2673 10.2898 10.2898 10.9070 10.9070 10.9278 10.9278 11.0202 11.0203 11.0384 11.0384 11.1249 11.1250 11.1287 11.1288 11.5347 11.5348 11.5354 11.5355 12.1887 12.1888 12.1901 12.1902 12.6187 12.6188 12.6215 12.6215 14.2128 14.2128 k = 0.5000 0.5000 0.2206 ( 3656 PWs) bands (ev): 1.5110 1.5110 1.5113 1.5113 2.6525 2.6525 2.6540 2.6540 6.0838 6.0838 6.0935 6.0935 7.3047 7.3047 7.3165 7.3166 9.2211 9.2211 9.2252 9.2252 9.2876 9.2877 9.3024 9.3025 9.8893 9.8893 9.8907 9.8907 10.2422 10.2422 10.2648 10.2648 10.9244 10.9245 10.9467 10.9468 11.0386 11.0386 11.0550 11.0551 11.1399 11.1400 11.1420 11.1421 11.5288 11.5289 11.5295 11.5296 12.1773 12.1773 12.1781 12.1782 12.6030 12.6031 12.6051 12.6052 14.2868 14.2868 k = 0.5000 0.5000 0.2353 ( 3656 PWs) bands (ev): 1.5440 1.5440 1.5443 1.5443 2.6605 2.6605 2.6621 2.6621 6.0031 6.0031 6.0128 6.0128 7.2149 7.2149 7.2266 7.2267 9.2835 9.2835 9.2874 9.2874 9.3118 9.3118 9.3263 9.3264 9.8762 9.8762 9.8775 9.8775 10.2168 10.2169 10.2393 10.2393 10.9425 10.9426 10.9662 10.9663 11.0574 11.0574 11.0720 11.0721 11.1557 11.1557 11.1557 11.1558 11.5223 11.5224 11.5232 11.5233 12.1668 12.1668 12.1670 12.1671 12.5860 12.5861 12.5874 12.5875 14.3661 14.3661 k = 0.5000 0.5000 0.2500 ( 3656 PWs) bands (ev): 1.5788 1.5788 1.5792 1.5792 2.6672 2.6672 2.6688 2.6688 5.9276 5.9276 5.9374 5.9374 7.1237 7.1237 7.1353 7.1353 9.3257 9.3258 9.3351 9.3352 9.3512 9.3512 9.3597 9.3597 9.8639 9.8639 9.8651 9.8651 10.1911 10.1911 10.2134 10.2135 10.9613 10.9613 10.9861 10.9861 11.0767 11.0767 11.0894 11.0895 11.1699 11.1700 11.1722 11.1722 11.5157 11.5157 11.5165 11.5166 12.1567 12.1568 12.1571 12.1572 12.5679 12.5680 12.5684 12.5685 14.4504 14.4505 k = 0.5000 0.5000 0.2647 ( 3664 PWs) bands (ev): 1.6154 1.6154 1.6157 1.6158 2.6721 2.6721 2.6738 2.6739 5.8580 5.8580 5.8679 5.8679 7.0314 7.0314 7.0429 7.0429 9.3507 9.3507 9.3631 9.3632 9.4029 9.4030 9.4078 9.4078 9.8524 9.8525 9.8536 9.8536 10.1651 10.1652 10.1872 10.1873 10.9804 10.9805 11.0061 11.0062 11.0963 11.0963 11.1071 11.1072 11.1844 11.1845 11.1892 11.1893 11.5086 11.5087 11.5093 11.5094 12.1473 12.1474 12.1485 12.1485 12.5483 12.5483 12.5486 12.5487 14.5397 14.5397 k = 0.5000 0.5000 0.2794 ( 3664 PWs) bands (ev): 1.6536 1.6536 1.6540 1.6540 2.6749 2.6750 2.6768 2.6768 5.7946 5.7946 5.8045 5.8046 6.9386 6.9386 6.9500 6.9500 9.3740 9.3740 9.3870 9.3870 9.4515 9.4516 9.4553 9.4554 9.8419 9.8420 9.8430 9.8430 10.1390 10.1391 10.1608 10.1609 11.0001 11.0001 11.0263 11.0264 11.1161 11.1162 11.1251 11.1252 11.1992 11.1993 11.2068 11.2068 11.5011 11.5012 11.5017 11.5018 12.1389 12.1389 12.1409 12.1409 12.5271 12.5272 12.5284 12.5284 14.6335 14.6335 k = 0.5000 0.5000 0.2941 ( 3664 PWs) bands (ev): 1.6934 1.6934 1.6938 1.6938 2.6754 2.6754 2.6773 2.6773 5.7378 5.7378 5.7479 5.7479 6.8457 6.8457 6.8569 6.8570 9.3972 9.3973 9.4102 9.4103 9.4955 9.4955 9.4987 9.4987 9.8323 9.8324 9.8333 9.8334 10.1127 10.1128 10.1343 10.1343 11.0200 11.0201 11.0466 11.0466 11.1361 11.1361 11.1434 11.1434 11.2141 11.2142 11.2246 11.2246 11.4933 11.4934 11.4937 11.4938 12.1315 12.1315 12.1344 12.1344 12.5050 12.5050 12.5072 12.5073 14.7315 14.7315 k = 0.5000 0.5000 0.3088 ( 3656 PWs) bands (ev): 1.7346 1.7346 1.7352 1.7352 2.6730 2.6730 2.6750 2.6750 5.6881 5.6881 5.6983 5.6983 6.7531 6.7531 6.7642 6.7642 9.4206 9.4206 9.4335 9.4336 9.5349 9.5349 9.5376 9.5376 9.8237 9.8237 9.8246 9.8246 10.0864 10.0864 10.1076 10.1076 11.0402 11.0403 11.0668 11.0668 11.1559 11.1560 11.1617 11.1617 11.2290 11.2290 11.2425 11.2425 11.4851 11.4851 11.4852 11.4852 12.1252 12.1252 12.1291 12.1291 12.4821 12.4822 12.4853 12.4854 14.8334 14.8334 k = 0.5000 0.5000 0.3235 ( 3672 PWs) bands (ev): 1.7773 1.7773 1.7779 1.7779 2.6676 2.6676 2.6696 2.6696 5.6458 5.6458 5.6560 5.6560 6.6611 6.6611 6.6721 6.6721 9.4441 9.4441 9.4569 9.4569 9.5697 9.5698 9.5721 9.5721 9.8158 9.8158 9.8166 9.8167 10.0599 10.0600 10.0808 10.0808 11.0605 11.0605 11.0867 11.0867 11.1754 11.1755 11.1797 11.1798 11.2434 11.2435 11.2602 11.2602 11.4760 11.4760 11.4763 11.4764 12.1200 12.1200 12.1249 12.1249 12.4584 12.4585 12.4627 12.4628 14.9386 14.9386 k = 0.5000 0.5000 0.3382 ( 3668 PWs) bands (ev): 1.8212 1.8212 1.8218 1.8218 2.6588 2.6588 2.6609 2.6609 5.6113 5.6113 5.6215 5.6215 6.5703 6.5703 6.5811 6.5812 9.4678 9.4679 9.4804 9.4805 9.6004 9.6005 9.6025 9.6025 9.8088 9.8089 9.8096 9.8097 10.0335 10.0335 10.0540 10.0541 11.0809 11.0809 11.1065 11.1066 11.1946 11.1946 11.1976 11.1977 11.2576 11.2577 11.2776 11.2776 11.4663 11.4664 11.4672 11.4673 12.1161 12.1161 12.1221 12.1221 12.4343 12.4344 12.4396 12.4397 15.0466 15.0466 k = 0.5000 0.5000 0.3529 ( 3668 PWs) bands (ev): 1.8662 1.8662 1.8669 1.8669 2.6465 2.6466 2.6487 2.6487 5.5847 5.5847 5.5949 5.5949 6.4808 6.4809 6.4916 6.4916 9.4917 9.4917 9.5041 9.5042 9.6272 9.6272 9.6290 9.6291 9.8026 9.8026 9.8033 9.8034 10.0071 10.0071 10.0273 10.0273 11.1013 11.1014 11.1261 11.1262 11.2131 11.2132 11.2150 11.2150 11.2712 11.2713 11.2945 11.2945 11.4561 11.4562 11.4576 11.4577 12.1135 12.1136 12.1207 12.1207 12.4099 12.4100 12.4162 12.4163 15.1570 15.1570 k = 0.5000 0.5000 0.3676 ( 3664 PWs) bands (ev): 1.9122 1.9122 1.9129 1.9129 2.6306 2.6306 2.6327 2.6327 5.5662 5.5662 5.5764 5.5765 6.3933 6.3933 6.4040 6.4040 9.5158 9.5158 9.5279 9.5280 9.6504 9.6504 9.6520 9.6521 9.7970 9.7970 9.7977 9.7977 9.9808 9.9808 10.0007 10.0007 11.1217 11.1217 11.1454 11.1455 11.2308 11.2308 11.2316 11.2317 11.2840 11.2841 11.3105 11.3106 11.4454 11.4454 11.4477 11.4478 12.1124 12.1125 12.1207 12.1208 12.3853 12.3853 12.3926 12.3926 15.2690 15.2690 k = 0.5000 0.5000 0.3824 ( 3664 PWs) bands (ev): 1.9590 1.9590 1.9598 1.9598 2.6109 2.6109 2.6130 2.6130 5.5558 5.5558 5.5661 5.5661 6.3079 6.3079 6.3185 6.3185 9.5400 9.5400 9.5519 9.5519 9.6703 9.6703 9.6718 9.6719 9.7920 9.7921 9.7927 9.7928 9.9545 9.9545 9.9741 9.9742 11.1419 11.1419 11.1644 11.1644 11.2473 11.2473 11.2474 11.2474 11.2957 11.2958 11.3255 11.3255 11.4341 11.4342 11.4374 11.4375 12.1129 12.1130 12.1224 12.1225 12.3606 12.3607 12.3689 12.3689 15.3821 15.3821 k = 0.5000 0.5000 0.3971 ( 3656 PWs) bands (ev): 2.0064 2.0064 2.0073 2.0073 2.5875 2.5875 2.5896 2.5896 5.5537 5.5537 5.5639 5.5640 6.2251 6.2251 6.2356 6.2357 9.5643 9.5644 9.5759 9.5760 9.6872 9.6872 9.6887 9.6887 9.7877 9.7877 9.7883 9.7884 9.9284 9.9284 9.9478 9.9478 11.1619 11.1619 11.1830 11.1831 11.2616 11.2617 11.2626 11.2627 11.3063 11.3064 11.3390 11.3390 11.4224 11.4225 11.4270 11.4271 12.1152 12.1153 12.1259 12.1259 12.3363 12.3363 12.3454 12.3455 15.4954 15.4955 k = 0.5000 0.5000 0.4118 ( 3648 PWs) bands (ev): 2.0542 2.0542 2.0552 2.0552 2.5605 2.5605 2.5626 2.5626 5.5596 5.5596 5.5698 5.5698 6.1452 6.1452 6.1557 6.1558 9.5888 9.5889 9.6000 9.6001 9.7014 9.7015 9.7030 9.7030 9.7839 9.7839 9.7844 9.7844 9.9025 9.9025 9.9216 9.9217 11.1816 11.1816 11.2011 11.2012 11.2745 11.2745 11.2762 11.2762 11.3156 11.3156 11.3506 11.3506 11.4105 11.4106 11.4168 11.4168 12.1192 12.1192 12.1310 12.1311 12.3123 12.3124 12.3223 12.3223 15.6082 15.6082 k = 0.5000 0.5000 0.4265 ( 3632 PWs) bands (ev): 2.1022 2.1022 2.1033 2.1033 2.5301 2.5301 2.5321 2.5321 5.5733 5.5733 5.5835 5.5835 6.0687 6.0687 6.0792 6.0792 9.6134 9.6135 9.6241 9.6241 9.7133 9.7133 9.7148 9.7149 9.7806 9.7806 9.7808 9.7809 9.8769 9.8770 9.8959 9.8959 11.2009 11.2009 11.2187 11.2188 11.2855 11.2855 11.2876 11.2876 11.3235 11.3236 11.3595 11.3596 11.3986 11.3987 11.4075 11.4076 12.1251 12.1251 12.1380 12.1380 12.2891 12.2891 12.2997 12.2997 15.7194 15.7194 k = 0.5000 0.5000 0.4412 ( 3628 PWs) bands (ev): 2.1502 2.1502 2.1514 2.1514 2.4965 2.4965 2.4984 2.4984 5.5947 5.5947 5.6048 5.6048 5.9958 5.9958 6.0064 6.0064 9.6380 9.6381 9.6479 9.6479 9.7229 9.7230 9.7244 9.7245 9.7774 9.7774 9.7778 9.7778 9.8518 9.8519 9.8706 9.8706 11.2195 11.2196 11.2356 11.2357 11.2943 11.2943 11.2960 11.2961 11.3302 11.3303 11.3644 11.3644 11.3871 11.3871 11.4007 11.4007 12.1327 12.1328 12.1467 12.1468 12.2665 12.2666 12.2776 12.2776 15.8277 15.8277 k = 0.5000 0.5000 0.4559 ( 3636 PWs) bands (ev): 2.1978 2.1978 2.1991 2.1991 2.4599 2.4599 2.4617 2.4617 5.6233 5.6233 5.6333 5.6334 5.9271 5.9271 5.9377 5.9377 9.6625 9.6625 9.6711 9.6712 9.7303 9.7304 9.7315 9.7316 9.7736 9.7737 9.7757 9.7758 9.8278 9.8278 9.8461 9.8462 11.2374 11.2375 11.2515 11.2516 11.3003 11.3004 11.3004 11.3004 11.3361 11.3362 11.3637 11.3637 11.3764 11.3764 11.3981 11.3981 12.1422 12.1422 12.1573 12.1573 12.2451 12.2452 12.2563 12.2564 15.9314 15.9314 k = 0.5000 0.5000 0.4706 ( 3648 PWs) bands (ev): 2.2449 2.2449 2.2462 2.2462 2.4208 2.4208 2.4225 2.4225 5.6589 5.6589 5.6687 5.6688 5.8628 5.8628 5.8736 5.8736 9.6866 9.6867 9.6932 9.6932 9.7354 9.7354 9.7354 9.7355 9.7686 9.7686 9.7753 9.7753 9.8064 9.8064 9.8230 9.8231 11.2543 11.2544 11.2659 11.2660 11.2996 11.2997 11.3031 11.3032 11.3417 11.3418 11.3592 11.3592 11.3671 11.3671 11.3987 11.3987 12.1532 12.1533 12.1697 12.1698 12.2254 12.2255 12.2362 12.2362 16.0272 16.0273 k = 0.5000 0.5000 0.4853 ( 3648 PWs) bands (ev): 2.2910 2.2910 2.2925 2.2925 2.3793 2.3793 2.3810 2.3810 5.7011 5.7011 5.7104 5.7104 5.8034 5.8034 5.8147 5.8148 9.7097 9.7097 9.7127 9.7128 9.7347 9.7348 9.7372 9.7372 9.7600 9.7600 9.7784 9.7784 9.7918 9.7918 9.8027 9.8028 11.2699 11.2699 11.2778 11.2778 11.2937 11.2937 11.3025 11.3025 11.3474 11.3475 11.3549 11.3549 11.3595 11.3596 11.4001 11.4001 12.1649 12.1650 12.1839 12.1840 12.2085 12.2086 12.2173 12.2174 16.1072 16.1072 k = 0.5000 0.5000 0.5000 ( 3648 PWs) bands (ev): 2.3344 2.3344 2.3375 2.3375 2.3375 2.3375 2.3375 2.3375 5.7494 5.7494 5.7494 5.7494 5.7494 5.7494 5.7700 5.7700 9.7273 9.7273 9.7273 9.7273 9.7273 9.7273 9.7314 9.7314 9.7533 9.7533 9.7873 9.7873 9.7873 9.7873 9.7873 9.7873 11.2833 11.2833 11.2833 11.2833 11.2834 11.2834 11.3008 11.3008 11.3532 11.3532 11.3533 11.3533 11.3533 11.3533 11.4006 11.4006 12.1719 12.1719 12.1998 12.1998 12.1999 12.1999 12.1999 12.1999 16.1446 16.1446 Writing output data file FeGe.save init_run : 1.47s CPU 12.93s WALL ( 1 calls) electrons : 792.68s CPU 799.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 792.64s CPU 799.16s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.83s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.08s CPU 0.52s WALL ( 1 calls) newd : 0.34s CPU 0.58s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 263 calls) cegterg : 747.85s CPU 751.77s WALL ( 828 calls) Called by sum_band: Called by *egterg: h_psi : 268.23s CPU 276.51s WALL ( 14996 calls) s_psi : 43.07s CPU 43.95s WALL ( 14996 calls) g_psi : 0.66s CPU 0.67s WALL ( 13905 calls) cdiaghg : 335.11s CPU 331.35s WALL ( 14168 calls) cegterg:over : 62.04s CPU 59.26s WALL ( 13905 calls) cegterg:upda : 12.03s CPU 15.62s WALL ( 13905 calls) cegterg:last : 10.56s CPU 11.28s WALL ( 2020 calls) Called by h_psi: h_psi:vloc : 183.79s CPU 190.97s WALL ( 14996 calls) h_psi:vnl : 84.23s CPU 84.83s WALL ( 14996 calls) add_vuspsi : 32.07s CPU 36.74s WALL ( 14996 calls) General routines calbec : 52.08s CPU 47.98s WALL ( 14996 calls) fft : 0.14s CPU 0.89s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 176.66s CPU 182.53s WALL ( 1391064 calls) interpolate : 0.05s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 1.43s WALL ( 526 calls) Parallel routines fft_scatter : 123.95s CPU 127.48s WALL ( 1391087 calls) PWSCF : 13m55.75s CPU 15m 2.93s WALL This run was terminated on: 7:33:42 28Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=